*HEADER    ELECTRON TRANSPORT                      27-JUL-06   2HV4              
*TITLE     NMR SOLUTION STRUCTURE REFINEMENT OF YEAST ISO-1-                     
*TITLE    2 FERROCYTOCHROME C                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C ISO-1;                                        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 GENE: CYC1;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    HEME PROTEIN                                                          
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    M.ASSFALG, I.BERTINI, R.DEL CONTE, P.TURANO                           
*REVDAT   1   26-SEP-06 2HV4    0                                                


Table 1
Meaningful experimental NOE-derived upper limits.

 -4 GLU  
         HN     -3 PHE  HN      3.10                
 -3 PHE  
         HA     92 ASN  QD2     5.87                
         CG     -2 LYS  HA      7.00                
         CG     61 GLU  HB2     7.00                
         CG     61 GLU  HB3     7.00                
         CG     61 GLU  QB      6.80                
         CG     92 ASN  HA      7.00                
         CG     95 ILE  HB      5.70                
         CG     95 ILE  QG2     8.00                
         CG     95 ILE  QD1     8.00                
         CG     96 THR  HN      7.00                
         CZ     61 GLU  QB      7.58                
         CZ     92 ASN  QB      7.88                
         CZ     95 ILE  HN      7.00                
         CZ     95 ILE  HA      7.00                
         CZ     95 ILE  HB      5.60                
         CZ     95 ILE  QG2     7.90                
         CZ     95 ILE  QD1     8.00                
         CZ     96 THR  HN      6.90                
         HZ     -1 ALA  HA      3.60                
         HZ     -1 ALA  QB      5.50                
         HZ      1 GLY  HN      3.90                
         HZ     95 ILE  HB      4.50                
         HZ     95 ILE  QG2     6.00                
         HZ     96 THR  HN      4.40                
         HZ     96 THR  HA      3.70                
 -2 LYS  
         HN     -2 LYS  HB2     3.40                
         HN     -2 LYS  HB3     3.40                
         HN     -2 LYS  QB      3.18                
         HN     92 ASN  QB      5.08                
         HN     92 ASN  HD21    4.80                
         HN     92 ASN  HD22    4.80                
         HN     92 ASN  QD2     4.38                
         HA     -1 ALA  HN      3.00                
         HB2    -1 ALA  HN      4.50                
         HB3    -1 ALA  HN      4.50                
         QB     -1 ALA  HN      4.07                
 -1 ALA  
         HN     -1 ALA  QB      3.40                
         HA      1 GLY  HN      3.00                
         HA     92 ASN  QB      5.28                
         HA     96 THR  QG2     6.00                
         QB      1 GLY  HN      3.40                
  1 GLY  
         HN      2 SER  HN      4.00                
         HN     93 ASP  HA      4.80                
         HN     96 THR  QG2     5.40                
         QA     93 ASP  HA      4.68                
  2 SER  
         HN      2 SER  QB      3.91                
         HN     93 ASP  HA      4.00                
         HN     93 ASP  QB      5.88                
         HA      2 SER  HB2     3.00                
         HA      2 SER  HB3     3.00                
         HA      2 SER  QB      2.72                
  3 ALA  
         HN      4 LYS  HN      5.50                
         HN      5 LYS  HN      5.50                
         HN     96 THR  QG2     6.50                
         HA      6 GLY  HN      5.00                
         HA     96 THR  QG2     5.70                
         QB      4 LYS  HN      4.40                
         QB      5 LYS  HN      5.30                
         QB      6 GLY  HN      6.50                
         QB     97 TYR  HN      6.50                
         QB     97 TYR  CG      8.00                
  4 LYS  
         HN      4 LYS  QG      5.90                
         HN      4 LYS  QD      6.00                
         HN      5 LYS  HN      4.30                
         HN      6 GLY  HN      5.50                
         HA      5 LYS  HN      3.20                
         HA      7 ALA  HN      5.50                
         QB      5 LYS  HN      5.60                
  5 LYS  
         HN      6 GLY  HN      3.60                
         HA      6 GLY  HN      3.60                
         HA      7 ALA  HN      4.90                
         HA      8 THR  HN      5.00                
         QB      6 GLY  HN      5.70                
         QB      9 LEU  HN      6.50                
  6 GLY  
         HN      7 ALA  HN      3.20                
         HN      7 ALA  QB      5.50                
         HN      8 THR  HN      5.50                
         HN     93 ASP  QB      4.98                
         HN     94 LEU  HA      5.50                
         HN     97 TYR  HB2     5.50                
         HN     97 TYR  HB3     5.50                
         HN     97 TYR  QB      5.28                
         HA1     9 LEU  HN      5.50                
         HA1    93 ASP  HB2     6.75                
         HA1    93 ASP  HB3     6.75                
         HA2     9 LEU  HN      5.50                
         HA2    93 ASP  HB2     6.75                
         HA2    93 ASP  HB3     6.75                
         QA      9 LEU  HN      5.18                
         QA      9 LEU  HN      5.18                
         QA     10 PHE  HN      5.88                
         QA     10 PHE  HN      5.88                
         QA     93 ASP  QB      5.81                
         QA     97 TYR  HN      5.48                
         QA     97 TYR  QB      5.65                
  7 ALA  
         HN      7 ALA  QB      3.30                
         HN      8 THR  HN      3.30                
         HN     97 TYR  HB2     5.50                
         HN     97 TYR  HB3     5.50                
         HN     97 TYR  QB      5.18                
         HN     97 TYR  QB      5.18                
         HA      9 LEU  HN      5.50                
         HA     10 PHE  HN      4.20                
         HA     10 PHE  HB2     4.30                
         HA     10 PHE  HB3     4.30                
         HA     11 LYS  HN      4.30                
         HA     97 TYR  CG      7.00                
         QB      8 THR  HN      3.70                
         QB     97 TYR  CG      7.30                
         QB     97 TYR  CZ      8.00                
         O      11 LYS  N       3.40                
         O      11 LYS  HN      2.40                
  8 THR  
         HN      8 THR  HB      3.70                
         HN      8 THR  QG2     3.60                
         HN      9 LEU  HN      3.30                
         HN     10 PHE  HN      5.50                
         HA      8 THR  HB      2.90                
         HA      8 THR  QG2     3.50                
         HA     11 LYS  HN      4.30                
         HA     11 LYS  HB2     5.00                
         HA     11 LYS  HB3     5.00                
         HA     11 LYS  QB      4.18                
         HB      9 LEU  HN      5.00                
         QG2     9 LEU  HN      5.20                
  9 LEU  
         HN      9 LEU  QB      3.03                
         HN      9 LEU  HG      4.20                
         HN      9 LEU  QD1     6.00                
         HN      9 LEU  QD2     6.00                
         HN      9 LEU  QQD     5.25                
         HN     10 PHE  HN      3.10                
         HN     11 LYS  HN      3.90                
         HN     94 LEU  QQD     8.07                
         HA      9 LEU  HG      2.60                
         HA      9 LEU  QD1     4.90                
         HA      9 LEU  QD2     4.90                
         HA      9 LEU  QQD     4.24                
         HA     12 THR  HN      5.50                
         HA     13 ARG  QG      5.18                
         HB2    10 PHE  HN      3.80                
         HB3    10 PHE  HN      3.80                
         QB     10 PHE  HN      3.36                
         QB     10 PHE  HA      5.28                
         QB     94 LEU  QQD     7.85                
         HG     10 PHE  HN      4.40                
         QD1    90 ASP  HB2     8.34                
         QD1    90 ASP  HB3     8.34                
         QD2    90 ASP  HB2     8.34                
         QD2    90 ASP  HB3     8.34                
         QQD    90 ASP  HN      8.07                
         QQD    90 ASP  HA      6.37                
         QQD    90 ASP  QB      6.60                
         QQD    90 ASP  QB      6.60                
         QQD    93 ASP  HN      7.57                
         QQD    94 LEU  HN      6.97                
 10 PHE  
         HN     10 PHE  HB2     3.20                
         HN     10 PHE  HB3     3.20                
         HN     11 LYS  HN      3.10                
         HN     14 CYS  HN      5.50                
         HN     94 LEU  QD1     6.00                
         HN     94 LEU  QD2     6.00                
         HN     94 LEU  QQD     5.11                
         HA     14 CYS  HN      4.80                
         HA     94 LEU  QD1     5.50                
         HA     94 LEU  QD2     5.50                
         HA     94 LEU  QQD     5.02                
         HB2    11 LYS  HN      4.80                
         HB2    94 LEU  QD1     8.64                
         HB2    94 LEU  QD2     8.64                
         HB3    11 LYS  HN      4.80                
         HB3    94 LEU  QD1     8.64                
         HB3    94 LEU  QD2     8.64                
         QB     11 LYS  HN      4.33                
         QB     11 LYS  HN      4.33                
         QB     94 LEU  QQD     6.87                
         QB     97 TYR  CG      6.78                
         QB     97 TYR  CZ      7.48                
         CG     11 LYS  HN      6.40                
         CG     11 LYS  HA      6.10                
         CG     15 LEU  QB      6.98                
         CG     15 LEU  QD1     7.70                
         CG     15 LEU  QD2     7.70                
         CG     32 LEU  QQD     9.57                
         CG     94 LEU  QQD     8.17                
         CG     98 LEU  QQD     9.57                
         HE1    15 LEU  HA      4.70                
         HE1    15 LEU  QB      5.88                
         HE1    15 LEU  QD1     5.50                
         HE1    15 LEU  QD2     5.50                
         HE1    19 THR  HA      5.00                
         HE1    20 VAL  QQG     7.56                
         HE1    98 LEU  QQD     7.57                
         HE2    15 LEU  QQD     6.67                
         HE2   104 HEC  QM1     6.00                
         HE2    20 VAL  QQG     6.86                
         HE2    32 LEU  HG      4.90                
         HE2    32 LEU  QQD     5.97                
         HE2    98 LEU  QQD     6.17                
         HZ     18 HIS  HB2     3.50                
         HZ     18 HIS  HB3     3.50                
         HZ     19 THR  HA      5.00                
         HZ     20 VAL  QG1     5.70                
         HZ     20 VAL  QG2     5.70                
         HZ     20 VAL  QQG     5.08                
         HZ     32 LEU  QQD     6.57                
         O      15 LEU  N       3.40                
         O      15 LEU  HN      2.40                
 11 LYS  
         HN     11 LYS  HB2     3.10                
         HN     11 LYS  HB3     3.10                
         HN     11 LYS  QG      4.38                
         HN     11 LYS  QG      4.38                
         HN     12 THR  HN      3.40                
         HN     15 LEU  HN      5.50                
         HN     15 LEU  QQD     7.27                
         HA     11 LYS  QG      3.66                
         HA     13 ARG  HN      5.50                
         HA     15 LEU  HN      4.70                
         HA     15 LEU  QB      4.38                
         HA     15 LEU  QD1     4.60                
         HA     15 LEU  QD2     4.60                
         HA     15 LEU  QQD     3.97                
         HB2    12 THR  HN      4.80                
         HB3    12 THR  HN      4.80                
         QB     12 THR  HN      4.02                
 12 THR  
         HN     12 THR  HB      3.80                
         HN     12 THR  QG2     3.90                
         HN     13 ARG  HN      3.90                
         HA     13 ARG  HA      4.50                
         HA     13 ARG  QG      5.28                
         QG2    13 ARG  HN      6.50                
 13 ARG  
         HN     13 ARG  QB      3.82                
         HN     13 ARG  HG2     4.50                
         HN     13 ARG  HG3     4.50                
         HN     13 ARG  QG      3.98                
         HN     13 ARG  QD      5.68                
         HN     14 CYS  HN      2.70                
         HN     15 LEU  HN      5.00                
         HA     13 ARG  QB      2.75                
         HA     13 ARG  HG2     3.90                
         HA     13 ARG  HG3     3.90                
         HA     13 ARG  QG      3.55                
         HA     13 ARG  HD2     3.30                
         HA     13 ARG  HD3     3.30                
         HA     13 ARG  QD      3.03                
         HA     14 CYS  HA      5.00                
         HA     15 LEU  HN      5.50                
         HA     82 PHE  CZ      6.40                
         HB2    14 CYS  HN      5.50                
         HB2    82 PHE  CZ      6.40                
         HB2    85 LEU  QD1     7.65                
         HB2    85 LEU  QD2     7.65                
         HB3    14 CYS  HN      5.50                
         HB3    82 PHE  CZ      6.40                
         HB3    85 LEU  QD1     7.65                
         HB3    85 LEU  QD2     7.65                
         QB     13 ARG  QD      3.53                
         QB    104 HEC  QT2     6.28                
         QB     82 PHE  CG      7.88                
         QB     82 PHE  CZ      6.09                
         QB     85 LEU  QQD     6.19                
         HD2    82 PHE  CZ      7.00                
         HD3    82 PHE  CZ      7.00                
         QD     82 PHE  CZ      6.46                
 14 CYS  
         HN     14 CYS  HB2     4.00                
         HN     14 CYS  HB3     4.00                
         HN     14 CYS  QB      3.80                
         HN     15 LEU  HN      2.80                
         HN     15 LEU  HA      4.70                
         HN     15 LEU  QB      5.88                
         HA     16 GLN  HN      5.50                
         HA     18 HIS  HD2     4.40                
         HA    104 HEC  HT2A    3.80                
         HA    104 HEC  QT2     6.00                
         HA    104 HEC  HAM     3.50                
         HA    104 HEC  QM3     5.50                
         HB2    15 LEU  HN      4.60                
         HB2   104 HEC  HT2A    4.70                
         HB3    15 LEU  HN      4.60                
         HB3   104 HEC  HT2A    4.70                
         QB     15 LEU  HN      4.22                
         QB     18 HIS  HD2     4.58                
         QB    104 HEC  QM1     5.48                
         QB    104 HEC  HT2A    4.28                
         QB    104 HEC  HAM     5.28                
         SG    104 HEC  CAB     2.10  3.00E+00                 
         O      17 CYS  N       3.40                
         O      17 CYS  HN      2.40                
         O      18 HIS  N       3.40                
         O      18 HIS  HN      2.40                
 15 LEU  
         HN     15 LEU  HB2     3.50                
         HN     15 LEU  HB3     3.50                
         HN     15 LEU  QB      3.19                
         HN     15 LEU  HG      4.50                
         HN     15 LEU  QD1     5.10                
         HN     15 LEU  QD2     5.10                
         HN     15 LEU  QQD     4.75                
         HN     16 GLN  HN      3.80                
         HN     16 GLN  QB      6.38                
         HA     15 LEU  HG      3.10                
         HA     15 LEU  QD1     6.00                
         HA     15 LEU  QD2     6.00                
         HA     17 CYS  HN      5.00                
         HA     18 HIS  HN      3.90                
         QB     16 GLN  HN      6.38                
         QB     18 HIS  HN      6.38                
         QQD    16 GLN  HN      8.07                
 16 GLN  
         HN     16 GLN  HB2     3.70                
         HN     16 GLN  HB3     3.70                
         HN     16 GLN  QB      3.49                
         HN     16 GLN  QG      3.88                
         HN     16 GLN  QG      3.88                
         HN     17 CYS  HN      3.50                
         HN     17 CYS  QB      6.38                
         HN     18 HIS  HN      5.50                
         HA     16 GLN  HB2     2.90                
         HA     16 GLN  HB3     2.90                
         HA     16 GLN  HG2     4.00                
         HA     16 GLN  HG3     4.00                
         HA     16 GLN  QG      3.80                
         HB2    17 CYS  HN      5.50                
         HB3    17 CYS  HN      5.50                
         QB    104 HEC  QM3     5.88                
         HG2    17 CYS  HN      3.80                
         HG2    18 HIS  HN      5.00                
         HG3    17 CYS  HN      3.80                
         HG3    18 HIS  HN      5.00                
         QG     17 CYS  QB      5.85                
         QG     18 HIS  HN      4.63                
 17 CYS  
         HN     17 CYS  HB2     3.90                
         HN     17 CYS  HB3     3.90                
         HN     17 CYS  QB      3.50                
         HN     18 HIS  HN      2.80                
         HN     18 HIS  HB2     5.50                
         HN     18 HIS  HB3     5.50                
         HN     18 HIS  QB      4.90                
         HN    104 HEC  QM3     6.00                
         HA     28 VAL  HN      4.30                
         HA     28 VAL  HB      3.00                
         HA     29 GLY  HN      4.40                
         HB2    18 HIS  HN      4.20                
         HB2   104 HEC  HT4A    4.10                
         HB2   104 HEC  HBM     4.70                
         HB2    29 GLY  HN      4.60                
         HB3    18 HIS  HN      4.20                
         HB3   104 HEC  HT4A    4.10                
         HB3   104 HEC  HBM     4.70                
         HB3    29 GLY  HN      4.60                
         QB     18 HIS  HN      3.67                
         QB     18 HIS  HD2     5.58                
         QB    104 HEC  HAM     5.68                
         QB    104 HEC  HT4A    3.71                
         QB    104 HEC  HBM     4.23                
         QB     28 VAL  HN      5.38                
         QB     29 GLY  HN      4.22                
         QB     29 GLY  HN      4.22                
         SG    104 HEC  CAC     2.10  3.00E+00                 
 18 HIS  
         HN     18 HIS  HB2     3.80                
         HN     18 HIS  HB3     3.80                
         HN     18 HIS  QB      3.40                
         HN     18 HIS  HD2     4.20                
         HN     19 THR  HN      4.80                
         HN     19 THR  HA      5.50                
         HA     18 HIS  HD1     3.70                
         HA     19 THR  HN      2.90                
         HB2    19 THR  HN      5.50                
         HB2    32 LEU  QD1     7.78                
         HB2    32 LEU  QD2     7.78                
         HB3    19 THR  HN      5.50                
         HB3    32 LEU  QD1     7.78                
         HB3    32 LEU  QD2     7.78                
         QB     18 HIS  HD2     3.64                
         QB     32 LEU  HN      5.89                
         QB     32 LEU  QQD     5.89                
         ND1    30 PRO  O       3.40                
         HD1    19 THR  HN      5.00                
         HD1    29 GLY  QA      5.38                
         HD1    30 PRO  QB      5.88                
         HD1    30 PRO  QG      5.18                
         HD1    30 PRO  O       2.40                
         HD1    32 LEU  QB      5.88                
         HD1    32 LEU  HG      3.30                
         HD1    32 LEU  QD1     5.30                
         HD1    32 LEU  QD2     5.30                
         HD1    32 LEU  QQD     4.91                
         NE2    80 MET  SD      4.50  3.00E+00                 
         HD2   104 HEC  HT2A    4.80                
         HD2   104 HEC  HAM     4.40                
         HD2   104 HEC  QM3     6.00                
         HD2    32 LEU  QQD     7.57                
         HE1   104 HEC  HGM     4.30                
         HE1    29 GLY  HA1     5.00                
         HE1    29 GLY  HA2     5.00                
         HE1    29 GLY  QA      4.68                
         HE1    30 PRO  HD2     3.70                
         HE1    30 PRO  HD3     3.70                
         HE1    30 PRO  QD      3.35                
         HE1    32 LEU  QD1     6.00                
         HE1    32 LEU  QD2     6.00                
         HE1    32 LEU  QQD     5.54                
 19 THR  
         HN     19 THR  QG2     4.40                
         HN     31 ASN  HA      4.00                
         HN     32 LEU  HN      4.00                
         HN     32 LEU  HG      5.50                
         HA     19 THR  HB      2.40                
         HA     20 VAL  HN      2.80                
         HA     20 VAL  QQG     7.56                
         HA     21 GLU  HN      4.10                
         HB     20 VAL  HN      3.60                
         HB     21 GLU  HN      5.50                
         QG2    20 VAL  HN      6.00                
         QG2    21 GLU  HN      6.00                
 20 VAL  
         HN     20 VAL  HB      4.00                
         HN     20 VAL  QG1     4.30                
         HN     20 VAL  QG2     4.30                
         HN     20 VAL  QQG     3.60                
         HN     20 VAL  QQG     3.60                
         HN     21 GLU  HN      3.00                
         HN     21 GLU  QB      5.88                
         HA     32 LEU  HN      4.20                
         HB     21 GLU  HN      4.10                
         HB     32 LEU  QQD     7.57                
         HB    101 ALA  QB      4.30                
         QG1    21 GLU  HN      6.00                
         QG1    21 GLU  HA      6.00                
         QG1    97 TYR  CZ      8.00                
         QG1    98 LEU  QD1     9.82                
         QG1    98 LEU  QD2     9.82                
         QG1   101 ALA  QB      6.00                
         QG2    21 GLU  HN      6.00                
         QG2    21 GLU  HA      6.00                
         QG2    97 TYR  CZ      8.00                
         QG2    98 LEU  QD1     9.82                
         QG2    98 LEU  QD2     9.82                
         QG2   101 ALA  QB      6.00                
         QQG    21 GLU  HN      5.30                
         QQG    21 GLU  QB      8.44                
         QQG    32 LEU  HN      7.56                
         QQG    97 TYR  CG      9.56                
         QQG    98 LEU  QQD     7.48                
         QQG   101 ALA  QB      5.30                
 21 GLU  
         HN     21 GLU  QB      3.63                
         HA     21 GLU  HB2     3.00                
         HA     21 GLU  HB3     3.00                
         HA     21 GLU  QB      2.62                
         HA     22 LYS  HN      3.20                
         HB2    22 LYS  HN      3.40                
         HB3    22 LYS  HN      3.40                
         QB     22 LYS  HN      3.13                
         QB     24 GLY  HN      6.38                
         QB     24 GLY  QA      6.15                
 22 LYS  
         HN     22 LYS  HB2     3.30                
         HN     22 LYS  HB3     3.30                
         HN     22 LYS  HG2     4.70                
         HN     22 LYS  HG3     4.70                
         HN     22 LYS  QG      4.37                
         HN     22 LYS  HD2     4.90                
         HN     22 LYS  HD3     4.90                
         HN     33 HIS  HE1     5.00                
         HA     22 LYS  HG2     3.10                
         HA     22 LYS  HG3     3.10                
         HA     22 LYS  QG      2.87                
         HA     22 LYS  QD      4.58                
         HA     23 GLY  HN      3.60                
         HA     24 GLY  HN      3.90                
         HA     33 HIS  HD2     4.30                
         HB2    22 LYS  QE      4.88                
         HB2    23 GLY  HN      5.50                
         HB3    22 LYS  QE      4.88                
         HB3    23 GLY  HN      5.50                
         QB     22 LYS  QD      3.72                
         QB     22 LYS  QE      4.60                
         QB     23 GLY  HN      5.18                
         QB     33 HIS  HD2     5.28                
         QB     33 HIS  HE1     5.68                
         QG     22 LYS  QE      3.55                
         QG     23 GLY  HN      5.18                
         QG     33 HIS  HE1     5.88                
         QD     33 HIS  HD2     4.98                
         QD     33 HIS  HE1     5.38                
         QE     33 HIS  HE1     5.88                
 23 GLY  
         HN     24 GLY  HN      4.10                
 24 GLY  
         QA     26 HIS  HN      6.38                
         QA     31 ASN  QD2     6.05                
 25 PRO  
         HA     26 HIS  HN      3.50                
         QB     26 HIS  HN      4.08                
 26 HIS  
         HN     26 HIS  QB      3.76                
         HA     30 PRO  HA      3.90                
         HA     31 ASN  HN      4.50                
         HA     31 ASN  QB      5.88                
         HB2    27 LYS  HN      4.60                
         HB3    27 LYS  HN      4.60                
         QB     26 HIS  HD2     3.47                
         QB     27 LYS  HN      4.27                
         QB     30 PRO  HA      4.38                
         QB     31 ASN  HN      5.38                
         QB     46 TYR  HD2     5.88                
         QB     46 TYR  HE2     5.58                
         HD2    46 TYR  HA      5.00                
         HD2    46 TYR  HB2     4.70                
         HD2    46 TYR  HB3     4.70                
         HD2    46 TYR  QB      4.28                
         HE1    30 PRO  HA      5.00                
         HE1    30 PRO  HB2     5.00                
         HE1    30 PRO  HB3     5.00                
         HE1    30 PRO  QB      4.82                
         HE1    31 ASN  HN      3.70                
         HE1    31 ASN  HB2     4.20                
         HE1    31 ASN  HB3     4.20                
         HE1    31 ASN  QB      3.91                
         HE1    43 ALA  QB      4.50                
         HE1    46 TYR  HB2     5.00                
         HE1    46 TYR  HB3     5.00                
         HE1    46 TYR  QB      4.53                
 27 LYS  
         HN     27 LYS  HB2     3.50                
         HN     27 LYS  HB3     3.50                
         HN     27 LYS  QB      3.24                
         HN     28 VAL  HN      5.20                
         HN     30 PRO  HA      4.70                
         HB2    28 VAL  HN      3.60                
         HB3    28 VAL  HN      3.60                
         QB     28 VAL  HN      3.10                
         QB     29 GLY  HN      5.08                
         QB     29 GLY  HN      5.08                
 28 VAL  
         HN     28 VAL  HB      3.00                
         HN     28 VAL  QQG     4.06                
         HN     29 GLY  HN      3.70                
         HA     28 VAL  QG1     3.70                
         HA     28 VAL  QG2     3.70                
         HB     29 GLY  HN      3.10                
         QG1    29 GLY  HN      5.80                
         QG2    29 GLY  HN      5.80                
         QQG    29 GLY  HN      5.09                
         QQG    29 GLY  QA      8.34                
 30 PRO  
         HA     31 ASN  HN      3.00                
         QB     31 ASN  HN      4.50                
         QB     46 TYR  HD1     5.88                
         QB     46 TYR  HD2     5.88                
         QG     32 LEU  QQD     6.75                
         QG     48 TYR  HE1     4.28                
         QG     48 TYR  HE2     4.38                
         QD     46 TYR  HD2     5.88                
         QD     48 TYR  HE2     5.48                
 31 ASN  
         HN     31 ASN  HB2     3.40                
         HN     31 ASN  HB3     3.40                
         HN     31 ASN  QB      3.18                
         HN     31 ASN  QD2     5.87                
         HN     32 LEU  HG      5.50                
         HN     43 ALA  QB      6.00                
         HA     31 ASN  QD2     4.37                
         HA     32 LEU  HN      2.80                
         HA     32 LEU  HG      4.40                
         HA     33 HIS  HN      4.50                
         QB     32 LEU  HN      4.48                
 32 LEU  
         HN     32 LEU  HB2     3.70                
         HN     32 LEU  HB3     3.70                
         HN     32 LEU  QB      3.35                
         HN     32 LEU  HG      3.00                
         HN     32 LEU  QD1     5.40                
         HN     32 LEU  QD2     5.40                
         HN     32 LEU  QQD     4.96                
         HN     33 HIS  HN      2.80                
         HA     32 LEU  QD1     5.40                
         HA     32 LEU  QD2     5.40                
         HA     32 LEU  QQD     4.40                
         HB2    33 HIS  HN      5.50                
         HB3    33 HIS  HN      5.50                
         QB     32 LEU  HG      2.68                
         QB     33 HIS  HN      5.13                
         QB     35 ILE  QG2     5.78                
         QD1    35 ILE  QG2     6.30                
         QD2    35 ILE  QG2     6.30                
         QQD    35 ILE  HB      7.17                
         QQD    35 ILE  QD1     7.77                
         QQD    98 LEU  QQD     9.34                
 33 HIS  
         HN     33 HIS  HB2     3.80                
         HN     33 HIS  HB3     3.80                
         HN     33 HIS  QB      3.50                
         HN     34 GLY  HN      4.20                
         HA     33 HIS  HD2     5.00                
         HA     34 GLY  HN      3.30                
         HA    102 THR  HA      3.60                
         QB     33 HIS  HD2     3.47                
         QB     34 GLY  HN      4.88                
         HD2    34 GLY  HN      5.00                
 34 GLY  
         HN     35 ILE  HN      3.50                
         HN     35 ILE  QG2     6.00                
         HN     35 ILE  QD1     6.00                
         HN    102 THR  HA      5.40                
 35 ILE  
         HN     35 ILE  HA      2.90                
         HN     35 ILE  HB      3.90                
         HN     35 ILE  QG2     3.50                
         HN     35 ILE  HG12    3.90                
         HN     35 ILE  HG13    3.90                
         HN     35 ILE  QG1     3.41                
         HN     35 ILE  QD1     4.00                
         HN     36 PHE  HN      3.90                
         HA     35 ILE  HB      3.00                
         HA     35 ILE  QG1     3.94                
         HA     35 ILE  QD1     4.60                
         HA     38 ARG  QG      5.38                
         QG2    36 PHE  HN      5.10                
         QG2    36 PHE  CG      7.60                
         QG2    36 PHE  CZ      8.00                
         QG2    38 ARG  HN      6.50                
         QG2    59 TRP  HD1     6.00                
         QG1    36 PHE  HN      5.28                
         QG1    36 PHE  HN      5.28                
         QG1    36 PHE  CZ      7.38                
         QG1    59 TRP  QB      5.15                
         QD1    36 PHE  HN      6.00                
         QD1    36 PHE  CZ      8.00                
 36 PHE  
         HN     36 PHE  HB2     4.00                
         HN     36 PHE  HB3     4.00                
         HN     36 PHE  QB      3.65                
         HN     37 GLY  HN      4.40                
         HA     38 ARG  HN      5.50                
         QB     37 GLY  HN      4.28                
         QB     60 ASP  HA      5.88                
         CG     37 GLY  HN      6.20                
         CG     60 ASP  HA      5.60                
         CG     61 GLU  HA      7.00                
         CG     64 MET  QE      8.00                
         CG     98 LEU  QB      6.38                
         CG     99 LYS  HA      5.70                
         CZ     60 ASP  HA      7.00                
         CZ     61 GLU  HN      7.00                
         CZ     61 GLU  HA      5.80                
         CZ     61 GLU  QB      7.18                
         CZ     64 MET  QB      7.78                
         CZ     64 MET  QE      8.00                
         CZ     98 LEU  HA      7.00                
         CZ     98 LEU  HB2     5.70                
         CZ     98 LEU  HB3     5.70                
         CZ     98 LEU  QQD     9.37                
         CZ     99 LYS  HN      7.00                
         CZ     99 LYS  HA      5.70                
         HZ     61 GLU  HA      4.60                
         HZ     64 MET  HB2     4.60                
         HZ     64 MET  HB3     4.60                
         HZ     64 MET  QB      4.13                
         HZ     64 MET  QE      6.00                
         HZ     95 ILE  QG1     4.78                
         HZ     98 LEU  HB2     4.70                
         HZ     98 LEU  HB3     4.70                
         HZ     98 LEU  QB      4.52                
         HZ     98 LEU  QQD     7.57                
         HZ     99 LYS  HA      4.60                
 37 GLY  
         HN     38 ARG  HN      3.40                
         HN     58 LEU  HG      5.00                
         HN     58 LEU  QD1     6.00                
         HN     58 LEU  QD2     6.00                
         HN     59 TRP  HN      4.20                
         HN     59 TRP  QB      6.08                
         QA     58 LEU  QQD     8.45                
 38 ARG  
         HN     38 ARG  HB2     4.00                
         HN     38 ARG  HB3     4.00                
         HN     38 ARG  QB      3.51                
         HN     38 ARG  HG2     5.50                
         HN     38 ARG  HG3     5.50                
         HN     38 ARG  QG      5.23                
         HN     58 LEU  QQD     7.57                
         HA     38 ARG  HG2     3.70                
         HA     38 ARG  HG3     3.70                
         HA     38 ARG  QG      3.30                
         HA     38 ARG  HD2     4.60                
         HA     38 ARG  HD3     4.60                
         HA     38 ARG  QD      3.78                
         HA     39 HIS  HN      2.80                
         HA     39 HIS  HA      4.80                
         HA     39 HIS  QB      5.88                
         HA     58 LEU  QD1     6.00                
         HA     58 LEU  QD2     6.00                
         HA     58 LEU  QQD     5.59                
         HB2    38 ARG  HD2     3.70                
         HB2    38 ARG  HD3     3.70                
         HB2    39 HIS  HN      3.80                
         HB3    38 ARG  HD2     3.70                
         HB3    38 ARG  HD3     3.70                
         HB3    39 HIS  HN      3.80                
         QB     38 ARG  QD      3.25                
         QB     39 HIS  HN      3.50                
         HG2    39 HIS  HN      4.90                
         HG3    39 HIS  HN      4.90                
         QG     39 HIS  HN      4.23                
         QG     42 GLN  QG      4.45                
         QG     59 TRP  HD1     5.88                
 39 HIS  
         HN     39 HIS  QB      3.72                
         HN     39 HIS  HD2     5.50                
         HN     40 SER  HN      5.50                
         HN     42 GLN  QB      6.38                
         HN     42 GLN  QE2     5.17                
         HN     58 LEU  QQD     8.07                
         HA     39 HIS  HD2     3.60                
         HA     40 SER  HN      3.10                
         HA     58 LEU  HA      2.70                
         HA     58 LEU  HB2     5.50                
         HA     58 LEU  HB3     5.50                
         HA     58 LEU  QB      4.86                
         HA     58 LEU  HG      5.00                
         HA     58 LEU  QD1     6.00                
         HA     58 LEU  QD2     6.00                
         HA     58 LEU  QQD     5.44                
         HA     59 TRP  HN      3.60                
         HA     59 TRP  HD1     5.00                
         HB2    40 SER  HN      4.90                
         HB3    40 SER  HN      4.90                
         QB     39 HIS  HD2     3.61                
         QB     40 SER  HN      4.48                
         QB     40 SER  HN      4.48                
         QB     56 ASN  QD2     6.24                
         HD2    56 ASN  HA      4.40                
         HD2    56 ASN  QB      5.88                
         HD2    56 ASN  QD2     5.37                
         HD2    58 LEU  HN      4.70                
         HD2    58 LEU  HA      4.10                
         HD2    58 LEU  QB      4.88                
         HD2    58 LEU  QQD     7.27                
         HE1    58 LEU  QQD     7.57                
 40 SER  
         HN     56 ASN  HA      3.40                
         HN     57 VAL  HN      3.60                
         HN     57 VAL  HB      5.50                
         HN     57 VAL  QG1     6.00                
         HN     57 VAL  QG2     6.00                
         HN     57 VAL  QQG     5.64                
         HN     59 TRP  HD1     5.00                
         HA     41 GLY  HN      2.90                
         HA     57 VAL  QQG     7.36                
         HA     59 TRP  HD1     3.80                
         HA     59 TRP  HE1     3.40                
         HB2    57 VAL  HN      5.50                
         HB2    57 VAL  QG1     6.85                
         HB2    57 VAL  QG2     6.85                
         HB2    59 TRP  HE1     4.50                
         HB2    59 TRP  HZ2     4.20                
         HB3    57 VAL  HN      5.50                
         HB3    57 VAL  QG1     6.85                
         HB3    57 VAL  QG2     6.85                
         HB3    59 TRP  HE1     4.50                
         HB3    59 TRP  HZ2     4.20                
         QB     57 VAL  HN      5.04                
         QB     57 VAL  QQG     5.67                
         QB     59 TRP  HD1     5.88                
         QB     59 TRP  HE1     4.26                
         QB     59 TRP  HZ2     3.72                
 41 GLY  
         HN     42 GLN  QB      6.08                
         HN     52 ASN  HD21    5.50                
         HN     52 ASN  HD22    5.50                
         HN     52 ASN  QD2     5.23                
         HN     59 TRP  HE1     4.50                
         HN     59 TRP  HZ2     4.20                
         QA     42 GLN  QG      6.25                
         QA     43 ALA  HN      4.48                
         QA     48 TYR  HE2     4.98                
         QA     53 ILE  HN      5.38                
         QA     53 ILE  HN      5.38                
 42 GLN  
         HN     42 GLN  QB      3.68                
         HN     42 GLN  HG2     4.00                
         HN     42 GLN  HG3     4.00                
         HN     43 ALA  HN      3.10                
         HN     48 TYR  HE2     4.90                
         HA     42 GLN  HG2     3.20                
         HA     42 GLN  HG3     3.20                
         HA     42 GLN  QG      2.78                
         HB2    43 ALA  HN      5.50                
         HB3    43 ALA  HN      5.50                
         HG2    42 GLN  HE21    3.90                
         HG2    42 GLN  HE22    3.90                
         HG3    42 GLN  HE21    3.90                
         HG3    42 GLN  HE22    3.90                
         QG     42 GLN  QE2     3.32                
         QG     43 ALA  HN      5.58                
 43 ALA  
         HN     43 ALA  QB      3.40                
         HN     46 TYR  HN      5.50                
         HN     48 TYR  HE1     5.00                
         HN     48 TYR  HE2     3.90                
         HN     48 TYR  HH      4.10                
         HA     44 GLU  HN      3.20                
         QB     44 GLU  HN      3.90                
         QB     46 TYR  HN      6.20                
         QB     46 TYR  HD1     6.00                
         QB     48 TYR  HD2     6.00                
         QB     48 TYR  HE2     4.80                
         QB     48 TYR  HH      5.60                
 44 GLU  
         HN     44 GLU  HB2     3.60                
         HN     44 GLU  HB3     3.60                
         HN     44 GLU  QB      3.06                
         HN     44 GLU  QG      4.58                
         HA     44 GLU  QG      3.72                
         HA     46 TYR  HN      4.30                
 45 GLY  
         HN     46 TYR  HN      5.10                
 46 TYR  
         HN     46 TYR  HB2     3.40                
         HN     46 TYR  HB3     3.40                
         HN     46 TYR  QB      3.13                
         HA     46 TYR  HD2     3.70                
         HA     47 SER  HN      3.40                
         QB     46 TYR  HD1     3.29                
         HD2    47 SER  HN      3.60                
         HD2    48 TYR  HA      3.90                
         HD2    48 TYR  QB      5.68                
         HD2    48 TYR  HD2     5.00                
         HE2    48 TYR  HA      4.40                
 47 SER  
         HN     48 TYR  HN      5.50                
         HA     47 SER  QB      2.70                
         HA     48 TYR  HN      3.20                
         QB     49 THR  HN      6.38                
 48 TYR  
         HN     48 TYR  HB2     3.90                
         HN     48 TYR  HB3     3.90                
         HN     48 TYR  QB      3.50                
         HN     48 TYR  HD2     4.20                
         HN     49 THR  HN      4.80                
         HA     48 TYR  HD1     4.00                
         HA     48 TYR  HD2     4.30                
         HA     53 ILE  QD1     6.00                
         HB2    49 THR  HN      3.90                
         HB3    49 THR  HN      3.90                
         QB     48 TYR  HE1     5.12                
         QB     49 THR  HN      3.70                
         QB     53 ILE  QD1     5.98                
         HD1    49 THR  HN      5.00                
         HD2    53 ILE  QD1     6.00                
 49 THR  
         HN     49 THR  QG2     4.00                
         HN     49 THR  HG1     3.80                
         HN     52 ASN  HN      4.30                
         HN     52 ASN  QB      5.88                
         HA     49 THR  QG2     3.50                
         HA     51 ALA  HN      5.50                
         HB     50 ASP  HN      3.60                
         HB     51 ALA  HN      3.70                
         HB     51 ALA  QB      5.30                
         HB     52 ASN  HN      3.80                
         QG2    50 ASP  HN      4.90                
         QG2    51 ALA  HN      6.50                
         QG2    52 ASN  HN      6.00                
         QG2    78 THR  HA      4.70                
         QG2    79 LYS  HN      4.90                
         HG1    51 ALA  QB      6.00                
         HG1    52 ASN  HN      3.70                
         HG1    52 ASN  QB      5.88                
         HG1    78 THR  HA      3.90                
 50 ASP  
         HN     50 ASP  HB2     3.20                
         HN     50 ASP  HB3     3.20                
         HN     50 ASP  QB      2.93                
         HN     51 ALA  HN      3.60                
         HA     52 ASN  HN      5.50                
         HA     53 ILE  HN      5.50                
         HA     53 ILE  HB      4.10                
         HA     53 ILE  QG2     6.00                
         HA     54 LYS  HN      5.50                
         HB2    51 ALA  HN      4.30                
         HB3    51 ALA  HN      4.30                
         QB     51 ALA  HN      4.06                
 51 ALA  
         HN     51 ALA  QB      3.30                
         HN     52 ASN  HN      3.30                
         HN     52 ASN  QB      4.78                
         HA     53 ILE  HN      5.50                
         HA     54 LYS  HN      4.80                
         QB     52 ASN  HN      4.20                
         QB     75 ILE  QG2     5.30                
         QB     77 GLY  QA      6.58                
         QB     78 THR  HN      4.80                
         QB     78 THR  HA      4.70                
         QB     78 THR  HB      6.00                
 52 ASN  
         HN     52 ASN  HB2     3.90                
         HN     52 ASN  HB3     3.90                
         HN     52 ASN  QB      3.60                
         HN     53 ILE  HN      3.20                
         HN     53 ILE  HB      4.70                
         HN     54 LYS  HN      5.00                
         HN     75 ILE  QG2     6.00                
         HA     55 LYS  HN      5.00                
         HA     55 LYS  QB      5.88                
         HA     75 ILE  QG2     5.00                
         HA     75 ILE  QD1     4.30                
         HB2    53 ILE  HN      5.00                
         HB3    53 ILE  HN      5.00                
         QB     75 ILE  QG2     6.68                
         QB     78 THR  HA      5.28                
 53 ILE  
         HN     53 ILE  HB      2.90                
         HN     53 ILE  QG2     4.70                
         HN     53 ILE  HG12    4.10                
         HN     53 ILE  HG13    4.10                
         HN     53 ILE  QG1     3.62                
         HN     53 ILE  QD1     4.20                
         HN     54 LYS  HN      3.40                
         HN     54 LYS  HA      5.50                
         HA     53 ILE  HB      3.00                
         HA     53 ILE  HG12    2.90                
         HA     53 ILE  HG13    2.90                
         HA     53 ILE  QD1     4.70                
         HA     55 LYS  HN      3.60                
         HA     56 ASN  HN      5.50                
         HB     53 ILE  QD1     3.40                
         HB     54 LYS  HN      3.00                
         HB     55 LYS  HN      4.50                
         QG2    54 LYS  HN      5.30                
         QG2    54 LYS  QG      4.58                
         O      55 LYS  N       3.40                
 54 LYS  
         HN     54 LYS  QB      3.59                
         HN     54 LYS  HG2     3.40                
         HN     54 LYS  HG3     3.40                
         HN     54 LYS  QD      5.08                
         HN     55 LYS  HN      3.30                
         HN     56 ASN  HN      5.00                
         HA     54 LYS  HG2     3.70                
         HA     54 LYS  HG3     3.70                
         HA     54 LYS  QG      3.49                
         HA     54 LYS  QD      4.18                
         QB     55 LYS  HN      4.48                
 55 LYS  
         HN     55 LYS  HB2     3.10                
         HN     55 LYS  HB3     3.10                
         HN     55 LYS  QB      2.87                
         HN     56 ASN  HN      2.60                
         HN     56 ASN  HA      4.70                
         HB2    56 ASN  HN      4.10                
         HB2    74 TYR  CZ      7.00                
         HB2    75 ILE  QG2     5.90                
         HB3    56 ASN  HN      4.10                
         HB3    74 TYR  CZ      7.00                
         HB3    75 ILE  QG2     5.90                
         QB     56 ASN  HN      3.81                
         QB     57 VAL  HN      6.38                
         QB     57 VAL  QQG     8.44                
         QB     74 TYR  CZ      6.51                
         QB     75 ILE  HA      5.58                
         QB     75 ILE  QG2     5.31                
 56 ASN  
         HN     56 ASN  HB2     4.00                
         HN     56 ASN  HB3     4.00                
         HN     56 ASN  QB      3.80                
         HN     56 ASN  QD2     4.67                
         HN     57 VAL  QQG     7.56                
         HA     56 ASN  HD21    4.30                
         HA     56 ASN  HD22    4.30                
         HA     56 ASN  QD2     3.78                
         HA     57 VAL  HN      3.40                
         HA     57 VAL  QQG     7.56                
 57 VAL  
         HN     57 VAL  HB      4.00                
         HN     57 VAL  QG1     4.10                
         HN     57 VAL  QG2     4.10                
         HN     57 VAL  QQG     3.90                
         HN     58 LEU  HN      4.90                
         HA     58 LEU  HN      2.50                
         HA     59 TRP  HN      5.40                
         HB     58 LEU  HN      4.50                
         HB     59 TRP  HZ2     5.00                
         QG1    58 LEU  HN      5.50                
         QG1    59 TRP  HA      6.00                
         QG1    59 TRP  HE3     6.00                
         QG1    59 TRP  HZ3     5.70                
         QG1    59 TRP  HH2     6.00                
         QG1    63 ASN  HD21    6.00                
         QG1    63 ASN  HD22    6.00                
         QG1    74 TYR  CG      8.00                
         QG1    74 TYR  CZ      8.00                
         QG2    58 LEU  HN      5.50                
         QG2    59 TRP  HA      6.00                
         QG2    59 TRP  HE3     6.00                
         QG2    59 TRP  HZ3     5.70                
         QG2    59 TRP  HH2     6.00                
         QG2    63 ASN  HD21    6.00                
         QG2    63 ASN  HD22    6.00                
         QG2    74 TYR  CG      8.00                
         QG2    74 TYR  CZ      8.00                
         QQG    58 LEU  HN      5.02                
         QQG    59 TRP  HN      8.06                
         QQG    59 TRP  HA      5.64                
         QQG    59 TRP  HE1     7.56                
         QQG    59 TRP  HZ3     5.03                
         QQG    59 TRP  HZ2     7.56                
         QQG    59 TRP  HH2     5.64                
         QQG    63 ASN  QB      8.44                
         QQG    63 ASN  HD21    5.54                
         QQG    63 ASN  HD22    5.54                
         QQG    74 TYR  CZ      7.45                
         QQG    75 ILE  QD1     7.76                
 58 LEU  
         HN     58 LEU  HB2     3.00                
         HN     58 LEU  HB3     3.00                
         HN     58 LEU  HG      5.50                
         HN     58 LEU  QD1     6.00                
         HN     58 LEU  QD2     6.00                
         HN     58 LEU  QQD     5.39                
         HN     63 ASN  QD2     5.87                
         HA     58 LEU  QD1     4.60                
         HA     58 LEU  QD2     4.60                
         HA     58 LEU  QQD     3.87                
         HA     59 TRP  HN      3.10                
         QB     59 TRP  HN      5.88                
         HG     59 TRP  HN      5.00                
         QD1    59 TRP  HN      6.00                
         QD2    59 TRP  HN      6.00                
         QQD    59 TRP  HN      5.39                
 59 TRP  
         HN     59 TRP  HB2     4.10                
         HN     59 TRP  HB3     4.10                
         HN     59 TRP  QB      3.66                
         HN     59 TRP  QB      3.66                
         HN     59 TRP  HD1     3.50                
         HN     59 TRP  HE3     5.50                
         HN     59 TRP  HE1     5.50                
         HA     59 TRP  HE3     2.60                
         HA     60 ASP  HN      3.50                
         HA     63 ASN  QB      5.08                
         HA     63 ASN  HD21    5.00                
         HA     63 ASN  HD22    5.00                
         HA     63 ASN  QD2     4.54                
         HA     64 MET  HN      4.70                
         HA     64 MET  QE      6.00                
         QB     64 MET  QE      6.88                
         HE3    60 ASP  HN      3.90                
         HE3    64 MET  HN      4.40                
         HE3    64 MET  HB2     4.70                
         HE3    64 MET  HB3     4.70                
         HE3    64 MET  QB      4.18                
         HE3    64 MET  QE      6.00                
         HZ3    64 MET  HB2     5.00                
         HZ3    64 MET  HB3     5.00                
         HZ3    67 TYR  HN      4.40                
         HZ3    67 TYR  HB2     4.10                
         HZ3    67 TYR  HB3     4.10                
         HZ2    75 ILE  QD1     5.40                
         HH2    67 TYR  HB2     5.00                
         HH2    67 TYR  HB3     5.00                
         HH2    67 TYR  QB      4.53                
         HH2    74 TYR  CG      7.00                
         HH2    75 ILE  QD1     5.10                
 60 ASP  
         HN     63 ASN  HN      5.50                
         HN     63 ASN  QD2     5.87                
         HN     64 MET  HN      4.70                
         HA     62 ASN  HN      5.50                
         HB2    61 GLU  HN      3.70                
         HB2    62 ASN  HN      5.50                
         HB3    61 GLU  HN      3.70                
         HB3    62 ASN  HN      5.50                
         QB     61 GLU  HN      3.35                
         QB     62 ASN  HN      4.81                
 61 GLU  
         HN     61 GLU  HB2     3.70                
         HN     61 GLU  HB3     3.70                
         HN     61 GLU  QB      3.39                
         HN     62 ASN  HN      3.80                
         HA     64 MET  HN      4.80                
         HA     95 ILE  QG2     5.00                
         HB2    62 ASN  HN      4.10                
         HB2    95 ILE  QG2     5.50                
         HB3    62 ASN  HN      4.10                
         HB3    95 ILE  QG2     5.50                
         QB     62 ASN  HN      3.57                
         QB     95 ILE  QG2     5.23                
 62 ASN  
         HN     62 ASN  HB2     3.50                
         HN     62 ASN  HB3     3.50                
         HN     62 ASN  QB      3.29                
         HN     62 ASN  QD2     4.67                
         HN     63 ASN  HN      3.10                
         HN     63 ASN  QB      5.08                
         HN     64 MET  HN      5.00                
         HA     65 SER  HN      4.00                
         HB2    63 ASN  HN      4.00                
         HB3    63 ASN  HN      4.00                
         QB     63 ASN  HN      3.75                
 63 ASN  
         HN     63 ASN  HB2     4.10                
         HN     63 ASN  HB3     4.10                
         HN     63 ASN  QB      3.90                
         HN     63 ASN  QD2     5.87                
         HN     64 MET  HN      3.20                
         HN     65 SER  HN      5.00                
         HN     66 GLU  HN      5.00                
         HA     65 SER  HN      5.50                
         HA     66 GLU  HN      3.80                
         HA     66 GLU  HB2     3.80                
         HA     66 GLU  HB3     3.80                
         HA     67 TYR  HN      4.80                
         HB2    64 MET  HN      5.50                
         HB3    64 MET  HN      5.50                
 64 MET  
         HN     64 MET  HB2     3.20                
         HN     64 MET  HB3     3.20                
         HN     64 MET  QE      5.80                
         HN     65 SER  HN      3.60                
         HN     66 GLU  HN      5.00                
         HA     67 TYR  HN      5.50                
         HB2    65 SER  HN      4.20                
         HB3    65 SER  HN      4.20                
         QB     95 ILE  QG2     6.88                
         O      68 LEU  N       3.40                
         O      68 LEU  HN      2.40                
 65 SER  
         HN     95 ILE  QD1     5.40                
         HA     68 LEU  HN      4.10                
         HA     68 LEU  HG      3.90                
         HA     95 ILE  QD1     4.50                
 66 GLU  
         HN     66 GLU  HB2     3.90                
         HN     66 GLU  HB3     3.90                
         HN     66 GLU  QB      3.60                
         HN     67 TYR  HN      3.30                
         HN     68 LEU  HN      5.00                
         HB2    67 TYR  HN      5.00                
         HB2    74 TYR  CG      7.00                
         HB2    74 TYR  CZ      7.00                
         HB3    67 TYR  HN      5.00                
         HB3    74 TYR  CG      7.00                
         HB3    74 TYR  CZ      7.00                
         QB     67 TYR  HN      4.18                
         QB     74 TYR  CG      6.75                
         QB     74 TYR  CZ      6.84                
 67 TYR  
         HN     67 TYR  HB2     3.40                
         HN     67 TYR  HB3     3.40                
         HN     74 TYR  CZ      7.00                
         HA     70 ASN  HN      5.50                
         HA     74 TYR  HN      4.80                
         HA     74 TYR  QB      4.38                
         HA     74 TYR  CG      6.10                
         HB2    67 TYR  HD2     3.70                
         HB3    67 TYR  HD2     3.70                
         QB     68 LEU  HN      4.28                
         HD1    68 LEU  QB      5.88                
         HD2    74 TYR  QB      5.78                
 68 LEU  
         HN     68 LEU  HB2     3.60                
         HN     68 LEU  HB3     3.60                
         HN     68 LEU  QB      3.15                
         HN     68 LEU  HG      3.20                
         HN     68 LEU  QD1     4.70                
         HN     68 LEU  QD2     4.70                
         HN     68 LEU  QQD     4.27                
         HN     69 THR  HN      4.00                
         HN     69 THR  HA      5.50                
         HN     70 ASN  HN      5.50                
         HA     68 LEU  QB      2.58                
         HA     70 ASN  HN      5.10                
         HA     71 PRO  QG      4.88                
         HA     82 PHE  CZ      6.50                
         QB     69 THR  HN      5.48                
         QB     82 PHE  CZ      7.38                
         QB     85 LEU  HN      5.58                
         QD1    80 MET  QE      7.00                
         QD2    80 MET  QE      7.00                
         QQD    71 PRO  QG      8.45                
         QQD    80 MET  QE      6.10                
         QQD    82 PHE  CZ      9.57                
         QQD    82 PHE  HZ      7.57                
         QQD    91 ARG  HA      7.07                
         QQD    94 LEU  QQD     9.74                
         QQD    95 ILE  QG1     8.45                
 69 THR  
         HN     69 THR  HB      3.50                
         HN     69 THR  QG2     4.60                
         HN     70 ASN  HN      3.50                
         HN     71 PRO  QD      4.98                
         HA     69 THR  HB      2.90                
         HA     85 LEU  HN      4.20                
         HB     70 ASN  HN      3.60                
         QG2    70 ASN  HN      6.50                
         QG2    70 ASN  HB2     4.70                
         QG2    70 ASN  HB3     4.70                
         QG2    86 LYS  HA      6.00                
 70 ASN  
         HN     70 ASN  HB2     4.00                
         HN     70 ASN  HB3     4.00                
         HN     70 ASN  QB      3.51                
         HN     71 PRO  QG      5.88                
         HN     71 PRO  HD2     4.30                
         HN     71 PRO  HD3     4.30                
         HN     71 PRO  QD      4.11                
         HA     71 PRO  QD      3.64                
         HA     72 LYS  HN      5.50                
         HA     73 LYS  HN      5.50                
         QB     73 LYS  QB      5.75                
         O      74 TYR  N       3.40                
         O      74 TYR  HN      2.40                
 71 PRO  
         QB     72 LYS  HN      4.00                
         QB     80 MET  QE      6.88                
         QB     82 PHE  CG      6.98                
         HG2    80 MET  QE      5.00                
         HG2    82 PHE  CG      6.30                
         HG2    84 GLY  HA1     6.05                
         HG2    84 GLY  HA2     6.05                
         HG3    80 MET  QE      5.00                
         HG3    82 PHE  CG      6.30                
         HG3    84 GLY  HA1     6.05                
         HG3    84 GLY  HA2     6.05                
         QG     80 MET  QG      6.75                
         QG     82 PHE  CG      5.85                
         QG     82 PHE  CZ      7.88                
         QG     84 GLY  QA      5.10                
         HD2    80 MET  QE      6.00                
         HD2    82 PHE  CG      7.00                
         HD2    82 PHE  CZ      7.00                
         HD3    80 MET  QE      6.00                
         HD3    82 PHE  CG      7.00                
         HD3    82 PHE  CZ      7.00                
         QD     72 LYS  HN      4.48                
         QD     82 PHE  CG      6.80                
 72 LYS  
         HN     72 LYS  HB2     3.90                
         HN     72 LYS  HB3     3.90                
         HN     72 LYS  QB      3.41                
         HN     72 LYS  QG      4.29                
         HN     72 LYS  QE      5.69                
         HN     73 LYS  HN      3.30                
         HN     73 LYS  HA      5.50                
         HN     78 THR  QG2     6.00                
         HA     72 LYS  QG      3.70                
         HA     72 LYS  QE      4.79                
         HA     73 LYS  HN      3.50                
         HA     74 TYR  HN      5.50                
         HA     75 ILE  HN      4.30                
         HA     77 GLY  HN      4.50                
         HA     78 THR  QG2     4.90                
         QB     72 LYS  QE      4.58                
         QB     73 LYS  HA      5.89                
         QG     72 LYS  QE      3.56                
         QG     78 THR  HN      5.19                
         QG     78 THR  HN      5.19                
         QE     81 ALA  HA      4.69                
         QQH    81 ALA  HA      3.30                
         QQH    81 ALA  QB      4.70                
         QQH    82 PHE  HN      4.90                
 73 LYS  
         HN     73 LYS  QB      3.38                
         HN     73 LYS  QB      3.38                
         HN     74 TYR  HN      2.60                
         HN     75 ILE  HN      4.40                
         QB     74 TYR  HN      4.68                
         QB     74 TYR  HN      4.68                
 74 TYR  
         HN     74 TYR  HB2     3.50                
         HN     74 TYR  HB3     3.50                
         HN     75 ILE  HN      3.10                
         HA     74 TYR  CZ      5.30                
         HB2    75 ILE  HN      3.70                
         HB3    75 ILE  HN      3.70                
         CG     75 ILE  HN      7.00                
         CG     75 ILE  QG2     8.00                
         CZ     75 ILE  QD1     8.00                
 75 ILE  
         HN     75 ILE  HB      3.70                
         HN     75 ILE  QG2     4.90                
         HN     75 ILE  QD1     6.00                
         HN     78 THR  QG2     5.40                
         HA     76 PRO  QD      3.55                
         HA     78 THR  HN      5.50                
         HB     78 THR  HN      4.90                
         HB     78 THR  HB      4.40                
         HB     78 THR  QG2     4.60                
         QG2    78 THR  HN      5.80                
         QG2    78 THR  HA      5.70                
         QG2    78 THR  HB      5.30                
 76 PRO  
         QB     77 GLY  HN      4.40                
 77 GLY  
         HN     78 THR  HN      4.20                
         HN     78 THR  QG2     6.00                
 78 THR  
         HN     78 THR  HB      3.80                
         HN     78 THR  QG2     3.60                
         HN     79 LYS  HN      5.50                
         HA     78 THR  HB      2.70                
         HA     79 LYS  HN      3.30                
         HA     80 MET  HN      4.10                
         HA     80 MET  QB      5.58                
         HB     79 LYS  HN      5.50                
         HB     80 MET  HN      5.50                
         QG2    79 LYS  HN      5.80                
         QG2    80 MET  HN      5.00                
         QG2    80 MET  HB2     5.90                
         QG2    80 MET  HB3     5.90                
         QG2    80 MET  QB      5.26                
         QG2    80 MET  QG      6.88                
         QG2    81 ALA  HN      6.00                
 79 LYS  
         HN     80 MET  HN      3.90                
         HA     81 ALA  HN      5.50                
 80 MET  
         HN     80 MET  HB2     3.30                
         HN     80 MET  HB3     3.30                
         HN     80 MET  HG2     4.40                
         HN     80 MET  HG3     4.40                
         HN     80 MET  QG      4.21                
         HN     81 ALA  HN      4.30                
         HA     80 MET  HG2     3.40                
         HA     80 MET  HG3     3.40                
         HA     80 MET  QG      3.08                
         HA     80 MET  QE      6.00                
         HA     81 ALA  HN      3.00                
         HA     82 PHE  HN      5.50                
         HB2    80 MET  QE      5.20                
         HB2    81 ALA  HN      5.00                
         HB3    80 MET  QE      5.20                
         HB3    81 ALA  HN      5.00                
         QB     81 ALA  HA      5.88                
         HG2    81 ALA  HN      5.00                
         HG2    82 PHE  HN      4.80                
         HG2    82 PHE  HB2     4.50                
         HG2    82 PHE  HB3     4.50                
         HG2    82 PHE  CG      7.00                
         HG3    81 ALA  HN      5.00                
         HG3    82 PHE  HN      4.80                
         HG3    82 PHE  HB2     4.50                
         HG3    82 PHE  HB3     4.50                
         HG3    82 PHE  CG      7.00                
         QG     81 ALA  HN      4.44                
         QG     81 ALA  QB      6.88                
         QG     82 PHE  QB      3.87                
         QE     82 PHE  HN      6.00                
         QE     82 PHE  HA      6.00                
         QE     82 PHE  HB2     5.10                
         QE     82 PHE  HB3     5.10                
         QE     82 PHE  QB      4.78                
         QE     82 PHE  CG      6.90                
         QE     82 PHE  CZ      8.00                
 81 ALA  
         HN     81 ALA  QB      3.40                
         HN     82 PHE  HN      4.30                
         HA     82 PHE  HN      3.00                
 82 PHE  
         HN     82 PHE  HB2     3.80                
         HN     82 PHE  HB3     3.80                
         HA     82 PHE  CZ      5.60                
         CG     84 GLY  QA      7.88                
         CZ     84 GLY  HA1     6.80                
         CZ     84 GLY  HA2     6.80                
         CZ     84 GLY  QA      6.50                
         CZ     85 LEU  HN      5.90                
         CZ     85 LEU  QB      7.48                
         CZ     85 LEU  HG      5.80                
         CZ     85 LEU  QD1     8.00                
         CZ     85 LEU  QD2     8.00                
         CZ     85 LEU  QQD     7.59                
         HZ     85 LEU  HN      4.30                
         HZ     85 LEU  HG      3.20                
         HZ     85 LEU  QD1     5.10                
         HZ     85 LEU  QD2     5.10                
         HZ     85 LEU  QQD     4.70                
 84 GLY  
         HN     85 LEU  HN      4.50                
 85 LEU  
         HN     85 LEU  HB2     3.60                
         HN     85 LEU  HB3     3.60                
         HN     85 LEU  QB      3.29                
         HN     85 LEU  HG      3.00                
         HN     85 LEU  QD1     5.30                
         HN     85 LEU  QD2     5.30                
         HN     85 LEU  QQD     4.86                
         HA     85 LEU  QD1     5.30                
         HA     85 LEU  QD2     5.30                
         HA     86 LYS  HN      3.00                
         HA     87 LYS  HN      5.50                
         HB2    86 LYS  HN      4.70                
         HB2    87 LYS  HN      5.50                
         HB3    86 LYS  HN      4.70                
         HB3    87 LYS  HN      5.50                
         QB     86 LYS  HN      4.28                
         QB     87 LYS  HN      5.18                
         QD1    94 LEU  QD1     9.24                
         QD1    94 LEU  QD2     9.24                
         QD2    94 LEU  QD1     9.24                
         QD2    94 LEU  QD2     9.24                
         QQD    86 LYS  HN      8.07                
         QQD    90 ASP  QB      7.65                
         QQD    91 ARG  HA      7.57                
         QQD    94 LEU  QQD     7.51                
 86 LYS  
         HN     86 LYS  QB      3.77                
         HN     86 LYS  QB      3.77                
         HN     87 LYS  HN      3.70                
         QB     87 LYS  HN      4.78                
         QB     88 GLU  HN      6.38                
 87 LYS  
         HN     87 LYS  HB2     3.80                
         HN     87 LYS  HB3     3.80                
         HN     87 LYS  QB      3.45                
         HN     87 LYS  QG      3.98                
         HN     88 GLU  HN      5.50                
         HN     90 ASP  HN      5.50                
         HN     90 ASP  QB      5.68                
         HA     87 LYS  QG      3.66                
         HA     88 GLU  HN      3.60                
         HB2    90 ASP  HN      4.10                
         HB2    90 ASP  HB2     5.85                
         HB2    90 ASP  HB3     5.85                
         HB3    90 ASP  HN      4.10                
         HB3    90 ASP  HB2     5.85                
         HB3    90 ASP  HB3     5.85                
         QB     89 LYS  HN      4.58                
         QB     90 ASP  HN      3.76                
         QB     90 ASP  QB      4.80                
         O      91 ARG  N       3.40                
         O      91 ARG  HN      2.40                
 88 GLU  
         HN     88 GLU  HB2     3.70                
         HN     88 GLU  HB3     3.70                
         HN     89 LYS  HN      3.70                
         HA     90 ASP  HN      5.50                
         HA     91 ARG  HN      4.00                
         HA     91 ARG  HB2     5.00                
         HA     91 ARG  HB3     5.00                
         HA     91 ARG  QB      4.23                
         HA     92 ASN  HN      4.90                
         HB2    89 LYS  HN      3.80                
         HB3    89 LYS  HN      3.80                
         QB     89 LYS  HN      3.40                
         O      92 ASN  N       3.40                
         O      92 ASN  HN      2.40                
 89 LYS  
         HN     89 LYS  HB2     3.50                
         HN     89 LYS  HB3     3.50                
         HN     89 LYS  QB      3.09                
         HN     89 LYS  HG2     3.40                
         HN     89 LYS  HG3     3.40                
         HN     90 ASP  HN      3.40                
         HN     91 ARG  HN      4.70                
         HA     89 LYS  HB2     3.00                
         HA     89 LYS  HB3     3.00                
         HA     89 LYS  QG      3.80                
         HA     92 ASN  HN      5.10                
         HA     92 ASN  QD2     5.87                
         HB2    90 ASP  HN      4.00                
         HB3    90 ASP  HN      4.00                
         QB     90 ASP  HN      3.43                
         QB     91 ARG  HN      5.58                
         HG2    90 ASP  HN      4.40                
         HG3    90 ASP  HN      4.40                
         QG     90 ASP  HN      4.11                
 90 ASP  
         HN     90 ASP  HB2     3.40                
         HN     90 ASP  HB3     3.40                
         HN     90 ASP  QB      3.13                
         HN     91 ARG  HN      3.00                
         HN     91 ARG  QG      4.98                
         HN     92 ASN  HN      4.20                
         HB2    91 ARG  HN      3.70                
         HB3    91 ARG  HN      3.70                
         QB     94 LEU  HN      6.38                
 91 ARG  
         HN     91 ARG  HB2     3.80                
         HN     91 ARG  HB3     3.80                
         HN     91 ARG  QB      3.60                
         HN     91 ARG  HG2     3.70                
         HN     91 ARG  HG3     3.70                
         HN     91 ARG  QG      3.44                
         HN     92 ASN  HN      3.10                
         HN     94 LEU  HN      5.00                
         HA     91 ARG  HG2     4.00                
         HA     91 ARG  HG3     4.00                
         HA     91 ARG  QG      3.38                
         HA     94 LEU  HN      5.00                
         HA     94 LEU  QB      4.68                
         HA     95 ILE  HN      5.50                
         HB2    92 ASN  HN      4.30                
         HB3    92 ASN  HN      4.30                
         QB     92 ASN  HN      3.64                
         QG     92 ASN  HN      5.08                
         O      95 ILE  N       3.40                
         O      95 ILE  HN      2.40                
 92 ASN  
         HN     92 ASN  HB2     3.90                
         HN     92 ASN  HB3     3.90                
         HN     92 ASN  QB      3.32                
         HN     92 ASN  HD21    5.00                
         HN     92 ASN  HD22    5.00                
         HN     92 ASN  QD2     4.54                
         HA     95 ILE  HN      5.50                
         HB2    93 ASP  HN      4.30                
         HB3    93 ASP  HN      4.30                
         QB     93 ASP  HN      3.78                
         QB     94 LEU  HN      6.28                
 93 ASP  
         HN     93 ASP  HB2     3.90                
         HN     93 ASP  HB3     3.90                
         HN     93 ASP  QB      3.50                
         HN     94 LEU  HN      3.10                
         HB2    94 LEU  HN      3.80                
         HB2    94 LEU  QD1     7.75                
         HB2    94 LEU  QD2     7.75                
         HB3    94 LEU  HN      3.80                
         HB3    94 LEU  QD1     7.75                
         HB3    94 LEU  QD2     7.75                
         QB     94 LEU  HN      3.55                
         QB     94 LEU  QQD     6.39                
         O      97 TYR  N       3.40                
         O      97 TYR  HN      2.40                
 94 LEU  
         HN     94 LEU  HB2     3.20                
         HN     94 LEU  HB3     3.20                
         HN     94 LEU  QD1     5.00                
         HN     94 LEU  QD2     5.00                
         HN     94 LEU  QQD     4.49                
         HN     95 ILE  HN      3.90                
         HN     96 THR  HN      5.50                
         HA     96 THR  HN      5.50                
         HA     97 TYR  HN      3.90                
         HA     97 TYR  CG      7.00                
         HA     98 LEU  QQD     7.57                
         HB2    95 ILE  HN      4.40                
         HB3    95 ILE  HN      4.40                
         QB     95 ILE  HN      3.88                
         QB     98 LEU  HN      6.38                
         QD1    95 ILE  HN      6.50                
         QD1    97 TYR  CG      8.00                
         QD2    95 ILE  HN      6.50                
         QD2    97 TYR  CG      8.00                
         QQD    95 ILE  HN      6.15                
         QQD    97 TYR  CZ      9.57                
         QQD    98 LEU  HN      7.57                
         QQD    98 LEU  QQD    10.14                
 95 ILE  
         HN     95 ILE  HB      3.30                
         HN     95 ILE  QG2     4.80                
         HN     95 ILE  QG1     3.78                
         HN     95 ILE  QD1     4.10                
         HN     96 THR  HN      3.40                
         HN     97 TYR  HN      4.50                
         HN     99 LYS  QB      6.38                
         HA     95 ILE  QG1     3.71                
         HA     98 LEU  HN      4.20                
         HA     98 LEU  HB2     4.80                
         HA     98 LEU  HB3     4.80                
         HA     98 LEU  QB      4.38                
         HA     98 LEU  QQD     7.07                
         HA     99 LYS  HN      5.50                
         HB     95 ILE  QD1     3.40                
         HB     96 THR  HN      3.80                
         QG2    95 ILE  QD1     4.40                
         QG2    96 THR  HN      5.60                
         QG2    96 THR  HA      6.00                
         QG2    99 LYS  HN      6.00                
         QG1    97 TYR  HN      6.38                
         QD1    96 THR  HN      6.50                
 96 THR  
         HN     96 THR  HB      3.10                
         HN     96 THR  QG2     4.90                
         HN     97 TYR  HN      3.30                
         HN     98 LEU  HN      5.00                
         HA     96 THR  QG2     3.50                
         HA     98 LEU  HN      5.00                
         HA     99 LYS  HN      4.50                
         HB     97 TYR  HN      3.40                
         QG2    97 TYR  HN      6.00                
         QG2    97 TYR  HA      6.00                
 97 TYR  
         HN     97 TYR  HB2     3.80                
         HN     97 TYR  HB3     3.80                
         HN     97 TYR  QB      3.55                
         HN     98 LEU  HN      3.10                
         HN     99 LYS  HN      4.30                
         HN    100 LYS  QB      6.38                
         HB2    98 LEU  HN      3.90                
         HB3    98 LEU  HN      3.90                
         CG     98 LEU  HN      7.50                
         CG     98 LEU  HA      6.50                
         CG     98 LEU  QB      6.48                
         CG     98 LEU  QD1     8.00                
         CG     98 LEU  QD2     8.00                
         CG    101 ALA  QB      8.00                
         CZ    101 ALA  QB      8.00                
         O     101 ALA  N       3.40                
         O     101 ALA  HN      2.40                
 98 LEU  
         HN     98 LEU  HB2     3.20                
         HN     98 LEU  HB3     3.20                
         HN     98 LEU  QD1     5.20                
         HN     98 LEU  QD2     5.20                
         HN     99 LYS  HN      3.10                
         HN     99 LYS  HA      5.50                
         HN     99 LYS  QB      6.38                
         HN    100 LYS  HN      5.00                
         HA     98 LEU  QD1     4.10                
         HA     98 LEU  QD2     4.10                
         HA     98 LEU  QQD     3.58                
         HA    100 LYS  HN      4.30                
         HA    101 ALA  HN      3.70                
         HA    101 ALA  QB      4.00                
         HA    102 THR  HN      5.50                
         HB2    99 LYS  HN      3.30                
         HB3    99 LYS  HN      3.30                
         QQD    99 LYS  HN      7.57                
         QQD    99 LYS  HN      7.57                
 99 LYS  
         HN     99 LYS  HB2     3.10                
         HN     99 LYS  HB3     3.10                
         HN    100 LYS  HN      3.30                
         HN    100 LYS  HA      5.50                
         HN    101 ALA  HN      4.80                
         QB    100 LYS  HN      3.98                
100 LYS  
         HN    100 LYS  HB2     3.10                
         HN    100 LYS  HB3     3.10                
         HN    100 LYS  QB      2.68                
         HN    101 ALA  HN      2.70                
         HN    102 THR  HN      4.20                
         HA    100 LYS  QB      2.64                
         HA    101 ALA  HN      3.60                
         HA    103 GLU  HN      5.00                
         HB2   101 ALA  HN      3.90                
         HB3   101 ALA  HN      3.90                
         QB    101 ALA  HN      3.46                
         QB    101 ALA  HN      3.46                
         QB    102 THR  HN      6.38                
101 ALA  
         HN    101 ALA  QB      3.30                
         HN    102 THR  HN      3.10                
         HN    103 GLU  HN      3.90                
         HN    103 GLU  QG      6.38                
         HA    103 GLU  HN      5.50                
         QB    102 THR  HN      3.80                
         QB    103 GLU  HN      6.50                
102 THR  
         HN    103 GLU  HN      3.10                
         HN    103 GLU  QB      6.38                
103 GLU  
         HN    103 GLU  HB2     3.90                
         HN    103 GLU  HB3     3.90                
         HN    103 GLU  QB      3.32                
         HN    103 GLU  QG      5.78                
104 HEC 
         FE     80 MET  SD      2.50  3.00E+00                 
         NA     80 MET  SD      3.30  3.00E+00                 
         QAP7  104 HEC  QM8     4.49                
         QAP7   32 LEU  QQD     8.46                
         QAP7   48 TYR  HE1     5.89                
         QAP7   59 TRP  HZ2     4.19                
         QAP7   59 TRP  HH2     5.59                
         HBP73 104 HEC  HGM     3.80                
         HBP73  30 PRO  HG2     5.85                
         HBP73  30 PRO  HG3     5.85                
         HBP73  32 LEU  QD1     8.34                
         HBP73  32 LEU  QD2     8.34                
         HBP74 104 HEC  HGM     3.80                
         HBP74  30 PRO  HG2     5.85                
         HBP74  30 PRO  HG3     5.85                
         HBP74  32 LEU  QD1     8.34                
         HBP74  32 LEU  QD2     8.34                
         QBP7  104 HEC  HGM     3.45                
         QBP7   30 PRO  QG      4.51                
         QBP7   32 LEU  HG      5.89                
         QBP7   32 LEU  QQD     6.59                
         QBP7   32 LEU  QQD     6.59                
         QBP7   48 TYR  HE1     4.69                
         QM8   104 HEC  QM1     5.70                
         QM8    32 LEU  QD1     5.90                
         QM8    32 LEU  QD2     5.90                
         QM8    32 LEU  QQD     5.05                
         QM8    35 ILE  QG2     5.40                
         QM8    35 ILE  QG1     5.38                
         QM8    35 ILE  QD1     5.30                
         QM8    59 TRP  HZ2     6.00                
         QM8    59 TRP  HH2     6.00                
         QM8    64 MET  QE      4.40                
         HDM   104 HEC  QT2     5.90                
         HDM    32 LEU  QB      5.88                
         HDM    32 LEU  QD1     6.00                
         HDM    32 LEU  QD2     6.00                
         HDM    32 LEU  QQD     5.25                
         HDM    68 LEU  QD1     6.00                
         HDM    68 LEU  QD2     6.00                
         HDM    68 LEU  QQD     5.49                
         HDM    80 MET  QE      6.00                
         HDM    98 LEU  QD1     6.00                
         HDM    98 LEU  QD2     6.00                
         NB     80 MET  SD      3.30  3.00E+00                 
         QM1   104 HEC  HT2A    6.00                
         QM1   104 HEC  QT2     3.90                
         QM1    32 LEU  QD1     6.00                
         QM1    32 LEU  QD2     6.00                
         QM1    32 LEU  QQD     5.16                
         QM1    68 LEU  QD1     4.40                
         QM1    68 LEU  QD2     4.40                
         QM1    68 LEU  QQD     4.00                
         QM1    80 MET  QE      6.00                
         QM1    98 LEU  QQD     6.17                
         HT2A  104 HEC  HAM     2.80                
         HT2A  104 HEC  QM3     5.00                
         HT2A   80 MET  QE      6.00                
         HT2A   82 PHE  CG      7.00                
         QT2   104 HEC  HAM     4.40                
         QT2    68 LEU  QQD     6.27                
         QT2    80 MET  QE      5.80                
         QT2    82 PHE  CZ      7.00                
         QT2    82 PHE  HZ      4.90                
         HAM    80 MET  QE      6.00                
         HAM    82 PHE  QB      5.88                
         HAM    82 PHE  CG      7.00                
         NC     80 MET  SD      3.30  3.00E+00                 
         QM3   104 HEC  HT4A    6.00                
         QM3   104 HEC  QT4     3.60                
         QM3    82 PHE  QB      6.38                
         QM3    82 PHE  CG      8.00                
         HT4A  104 HEC  HBM     2.40                
         HT4A  104 HEC  QM5     4.90                
         HT4A   28 VAL  HB      4.10                
         HT4A   28 VAL  QG1     6.00                
         HT4A   28 VAL  QG2     6.00                
         HT4A   28 VAL  QQG     4.94                
         HT4A   80 MET  HA      5.00                
         HT4A   81 ALA  HN      5.00                
         QT4   104 HEC  HBM     4.30                
         QT4    28 VAL  QQG     6.46                
         QT4    81 ALA  HN      5.30                
         QT4    81 ALA  QB      4.50                
         QT4    82 PHE  QB      6.18                
         HBM    28 VAL  HB      4.50                
         HBM    28 VAL  QQG     5.96                
         HBM    80 MET  HA      4.00                
         HBM    81 ALA  HN      4.40                
         ND     80 MET  SD      3.30  3.00E+00                 
         QM5    28 VAL  QQG     5.56                
         QM5    29 GLY  QA      6.88                
         QM5    80 MET  QB      6.88                
         HGM    30 PRO  QG      5.88                
         HGM    30 PRO  HD2     5.00                
         HGM    30 PRO  HD3     5.00                
         HGM    32 LEU  QQD     7.57                

Table 2
Angle contraints based on experimental data (allowed ranges)

   2 SER  PHI      -180.0   -140
   3 ALA  PHI       -80.0    -40
   4 LYS  PHI       -80.0    -40
   5 LYS  PHI       -70.0    -30
   7 ALA  PHI       -80.0    -40
   8 THR  PHI       -70.0    -30
   9 LEU  PHI       -70.0    -30
  10 PHE  PHI       -70.0    -30
  11 LYS  PHI       -80.0    -40
  13 ARG  PHI      -155.0    -85
  14 CYS  PHI      -140.0   -100
  15 LEU  PHI       -70.0    -30
  16 GLN  PHI       -70.0    -30
  18 HIS  PHI      -140.0   -100
  19 THR  PHI      -140.0   -100
  20 VAL  PHI      -155.0    -85
  22 LYS  PHI       -70.0    -30
  26 HIS  PHI      -100.0    -60
  27 LYS  PHI      -100.0    -60
  35 ILE  PHI       -70.0    -30
  38 ARG  PHI      -155.0    -85
  39 HIS  PHI      -110.0    -70
  40 SER  PHI       -70.0    -30
  42 GLN  PHI      -155.0    -85
  43 ALA  PHI       -80.0    -40
  44 GLU  PHI       -80.0    -40
  46 TYR  PHI      -155.0    -85
  50 ASP  PHI       -80.0    -40
  51 ALA  PHI       -70.0    -30
  52 ASN  PHI       -80.0    -40
  53 ILE  PHI       -80.0    -40
  54 LYS  PHI       -80.0    -40
  55 LYS  PHI       -80.0    -40
  58 LEU  PHI      -100.0    -60
  59 TRP  PHI       -80.0    -40
  60 ASP  PHI      -155.0    -85
  61 GLU  PHI       -70.0    -30
  63 ASN  PHI       -70.0    -30
  64 MET  PHI       -70.0    -30
  65 SER  PHI       -70.0    -30
  66 GLU  PHI       -70.0    -30
  67 TYR  PHI       -70.0    -30
  68 LEU  PHI       -80.0    -40
  69 THR  PHI       -70.0    -30
  72 LYS  PHI       -70.0    -30
  73 LYS  PHI      -100.0    -70
  74 TYR  PHI       -70.0    -30
  75 ILE  PHI      -140.0   -100
  78 THR  PHI       -80.0    -40
  79 LYS  PHI      -155.0    -85
  80 MET  PHI      -100.0    -60
  81 ALA  PHI      -100.0    -60
  85 LEU  PHI      -155.0    -85
  88 GLU  PHI      -120.0    -60
  89 LYS  PHI       -70.0    -30
  90 ASP  PHI       -80.0    -40
  91 ARG  PHI       -70.0    -30
  92 ASN  PHI       -70.0    -30
  93 ASP  PHI       -70.0    -30
  94 LEU  PHI       -80.0    -40
  95 ILE  PHI       -80.0    -40
  96 THR  PHI       -80.0    -40
  97 TYR  PHI       -70.0    -30
  98 LEU  PHI       -70.0    -30
  99 LYS  PHI       -70.0    -30
 100 LYS  PHI       -80.0    -40
 101 ALA  PHI       -80.0    -40
 102 THR  PHI      -155.0    -85
 103 GLU  PHI      -180.0   -140
   5 LYS  PSI       -60.0    -20
   7 ALA  PSI       -60.0    -20
   8 THR  PSI       -60.0    -20
   9 LEU  PSI       -60.0    -20
  10 PHE  PSI       -60.0    -20
  15 LEU  PSI       -60.0    -20
  16 GLN  PSI       -60.0    -20
  17 CYS  PSI       -60.0    -20
  50 ASP  PSI       -60.0    -20
  51 ALA  PSI       -60.0    -20
  52 ASN  PSI       -60.0    -20
  53 ILE  PSI       -60.0    -20
  54 LYS  PSI       -60.0    -20
  55 LYS  PSI       -60.0    -20
  61 GLU  PSI       -60.0    -20
  63 ASN  PSI       -60.0    -20
  64 MET  PSI       -60.0    -20
  65 SER  PSI       -60.0    -20
  66 GLU  PSI       -60.0    -20
  67 TYR  PSI       -60.0    -20
  68 LEU  PSI       -60.0    -20
  72 LYS  PSI       -60.0    -20
  73 LYS  PSI       -60.0    -20
  74 TYR  PSI       -60.0    -20
  88 GLU  PSI       -60.0    -20
  89 LYS  PSI       -60.0    -20
  90 ASP  PSI       -60.0    -20
  91 ARG  PSI       -60.0    -20
  92 ASN  PSI       -60.0    -20
  93 ASP  PSI       -60.0    -20
  94 LEU  PSI       -60.0    -20
  95 ILE  PSI       -60.0    -20
  96 THR  PSI       -60.0    -20
  97 TYR  PSI       -60.0    -20
  98 LEU  PSI       -60.0    -20
  99 LYS  PSI       -60.0    -20
 100 LYS  PSI       -60.0    -20
 101 ALA  PSI       -60.0    -20
 102 THR  PSI       -60.0    -20

Table 3
Residual dipolar coupling values measured from J(HN)-couplings: value-error-weight

  2 SER  HN       0.21  0.2   1.00
  6 GLY  HN       0.70  0.1   1.00
  7 ALA  HN       0.39  0.1   1.00
  8 THR  HN       0.40  0.1   1.00
  9 LEU  HN       0.74  0.1   1.00
 10 PHE  HN       0.43  0.1   1.00
 11 LYS  HN       0.10  0.1   1.00
 12 THR  HN       0.53  0.1   1.00
 13 ARG  HN       0.69  0.1   1.00
 14 CYS  HN       0.10  0.1   1.00
 49 THR  HN       0.73  0.1   1.00
 50 ASP  HN       0.48  0.1   1.00
 51 ALA  HN       0.68  0.1   1.00
 52 ASN  HN       0.55  0.1   1.00
 53 ILE  HN       0.72  0.1   1.00
 60 ASP  HN       0.02  0.2   1.00
 61 GLU  HN       0.75  0.3   1.00
 62 ASN  HN       0.54  0.1   1.00
 63 ASN  HN       0.45  0.1   1.00
 66 GLU  HN      -0.06  0.2   1.00
 67 TYR  HN       0.50  0.1   1.00
 68 LEU  HN       0.56  0.1   1.00
 72 LYS  HN       0.47  0.2   1.00
 73 LYS  HN       0.20  0.1   1.00
 74 TYR  HN       0.33  0.3   1.00
 75 ILE  HN       0.53  0.1   1.00
 90 ASP  HN      -0.20  0.1   1.00
 91 ARG  HN      -0.21  0.1   1.00
 92 ASN  HN       0.14  0.2   1.00
 93 ASP  HN       0.35  0.1   1.00
 94 LEU  HN      -0.22  0.4   1.00
 95 ILE  HN       0.01  0.1   1.00
 96 THR  HN       0.10  0.1   1.00
 97 TYR  HN       0.16  0.1   1.00
 98 LEU  HN      -0.62  0.1   1.00
 99 LYS  HN       0.24  0.1   1.00
100 LYS  HN       0.26  0.1   1.00
102 THR  HN      -0.01  0.1   1.00

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR  -5          H1        THR  -5 -11.490  -9.191  14.814
    2   2H    THR  -5          H2        THR  -5 -12.536  -8.289  13.912
    3   3H    THR  -5          H3        THR  -5 -11.235  -7.574  14.656
    4    HA   THR  -5           HA       THR  -5 -10.766  -7.866  12.298
    5    HB   THR  -5           HB       THR  -5  -8.809  -9.650  12.715
    6    HG1  THR  -5           1HG      THR  -5  -8.281  -9.676  14.917
    7   1HG2  THR  -5          1HG2      THR  -5  -8.880  -6.971  14.180
    8   2HG2  THR  -5          2HG2      THR  -5  -7.438  -7.869  13.666
    9   3HG2  THR  -5          3HG2      THR  -5  -8.524  -7.185  12.449
   10    H    GLU  -4           H        GLU  -4 -11.581  -8.971  10.531
   11    HA   GLU  -4           HA       GLU  -4 -11.776 -11.801  10.468
   12   1HB   GLU  -4          2HB       GLU  -4 -13.823 -11.265  11.842
   13   2HB   GLU  -4          3HB       GLU  -4 -14.455 -10.314  10.510
   14   1HG   GLU  -4          2HG       GLU  -4 -13.565 -13.154   9.953
   15   2HG   GLU  -4          3HG       GLU  -4 -14.995 -12.936  10.947
   16    H    PHE  -3           H        PHE  -3 -10.471 -11.345   8.732
   17    HA   PHE  -3           HA       PHE  -3 -11.114  -9.567   6.581
   18   1HB   PHE  -3          2HB       PHE  -3  -8.829 -10.315   6.969
   19   2HB   PHE  -3          3HB       PHE  -3  -9.273 -11.968   6.544
   20    HD1  PHE  -3           HD1      PHE  -3  -9.784  -8.523   5.009
   21    HD2  PHE  -3           HD2      PHE  -3  -8.418 -12.576   4.426
   22    HE1  PHE  -3           HE1      PHE  -3  -9.435  -8.072   2.594
   23    HE2  PHE  -3           HE2      PHE  -3  -8.005 -12.095   2.047
   24    HZ   PHE  -3           HZ       PHE  -3  -8.599  -9.865   1.097
   25    H    LYS  -2           H        LYS  -2 -13.343 -10.107   6.612
   26    HA   LYS  -2           HA       LYS  -2 -14.386 -12.209   4.903
   27   1HB   LYS  -2          2HB       LYS  -2 -15.762 -10.886   6.511
   28   2HB   LYS  -2          3HB       LYS  -2 -15.554  -9.448   5.536
   29   1HG   LYS  -2          2HG       LYS  -2 -16.924 -10.212   3.836
   30   2HG   LYS  -2          3HG       LYS  -2 -16.583 -11.916   4.127
   31   1HD   LYS  -2          2HD       LYS  -2 -18.119 -10.403   6.253
   32   2HD   LYS  -2          3HD       LYS  -2 -18.925 -10.819   4.740
   33   1HE   LYS  -2          2HE       LYS  -2 -19.393 -12.576   6.282
   34   2HE   LYS  -2          3HE       LYS  -2 -18.316 -13.207   5.034
   35   1HZ   LYS  -2          1HZ       LYS  -2 -17.421 -12.363   7.768
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.609 -13.911   7.283
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.441 -12.928   6.698
   38    H    ALA  -1           H        ALA  -1 -13.042 -12.320   3.212
   39    HA   ALA  -1           HA       ALA  -1 -11.863 -10.393   1.676
   40   1HB   ALA  -1          1HB       ALA  -1 -12.998 -13.028   0.654
   41   2HB   ALA  -1          2HB       ALA  -1 -11.711 -12.080  -0.120
   42   3HB   ALA  -1          3HB       ALA  -1 -11.430 -12.810   1.475
   43    H    GLY   1           H        GLY   1 -12.217  -9.332  -0.310
   44   1HA   GLY   1          1HA       GLY   1 -15.059  -8.563  -0.783
   45   2HA   GLY   1          2HA       GLY   1 -13.637  -7.561  -1.064
   46    H    SER   2           H        SER   2 -14.152  -7.157  -3.114
   47    HA   SER   2           HA       SER   2 -13.937  -9.389  -5.140
   48   1HB   SER   2          2HB       SER   2 -16.188  -8.442  -5.179
   49   2HB   SER   2          3HB       SER   2 -15.504  -6.819  -5.393
   50    HG   SER   2           HG       SER   2 -15.741  -8.903  -7.193
   51    H    ALA   3           H        ALA   3 -12.026  -9.316  -6.125
   52    HA   ALA   3           HA       ALA   3 -10.172  -7.267  -6.037
   53   1HB   ALA   3          1HB       ALA   3 -10.519  -9.342  -8.243
   54   2HB   ALA   3          2HB       ALA   3  -9.037  -8.428  -7.895
   55   3HB   ALA   3          3HB       ALA   3  -9.661  -9.576  -6.698
   56    H    LYS   4           H        LYS   4 -13.005  -7.178  -8.030
   57    HA   LYS   4           HA       LYS   4 -11.866  -4.936  -9.610
   58   1HB   LYS   4          2HB       LYS   4 -13.083  -6.782 -10.777
   59   2HB   LYS   4          3HB       LYS   4 -14.583  -6.220 -10.030
   60   1HG   LYS   4          2HG       LYS   4 -14.561  -4.175 -11.217
   61   2HG   LYS   4          3HG       LYS   4 -12.832  -4.259 -11.566
   62   1HD   LYS   4          2HD       LYS   4 -14.873  -6.157 -12.788
   63   2HD   LYS   4          3HD       LYS   4 -14.334  -4.641 -13.534
   64   1HE   LYS   4          2HE       LYS   4 -11.963  -5.437 -13.423
   65   2HE   LYS   4          3HE       LYS   4 -12.521  -6.981 -12.774
   66   1HZ   LYS   4          1HZ       LYS   4 -13.251  -5.866 -15.419
   67   2HZ   LYS   4          2HZ       LYS   4 -12.205  -7.106 -15.166
   68   3HZ   LYS   4          3HZ       LYS   4 -13.802  -7.294 -14.825
   69    H    LYS   5           H        LYS   5 -13.757  -5.311  -6.942
   70    HA   LYS   5           HA       LYS   5 -14.808  -2.489  -6.888
   71   1HB   LYS   5          2HB       LYS   5 -14.821  -4.709  -4.802
   72   2HB   LYS   5          3HB       LYS   5 -15.141  -3.023  -4.402
   73   1HG   LYS   5          2HG       LYS   5 -16.975  -3.028  -6.164
   74   2HG   LYS   5          3HG       LYS   5 -16.810  -4.790  -6.237
   75   1HD   LYS   5          2HD       LYS   5 -17.339  -3.189  -3.688
   76   2HD   LYS   5          3HD       LYS   5 -18.627  -3.895  -4.670
   77   1HE   LYS   5          2HE       LYS   5 -18.081  -6.098  -4.096
   78   2HE   LYS   5          3HE       LYS   5 -16.392  -5.682  -3.751
   79   1HZ   LYS   5          1HZ       LYS   5 -18.623  -4.868  -1.995
   80   2HZ   LYS   5          2HZ       LYS   5 -17.512  -6.086  -1.703
   81   3HZ   LYS   5          3HZ       LYS   5 -17.004  -4.570  -1.798
   82    H    GLY   6           H        GLY   6 -12.290  -4.494  -5.318
   83   1HA   GLY   6          1HA       GLY   6 -10.904  -2.357  -4.043
   84   2HA   GLY   6          2HA       GLY   6 -10.167  -3.856  -4.605
   85    H    ALA   7           H        ALA   7 -10.616  -3.566  -7.423
   86    HA   ALA   7           HA       ALA   7  -8.627  -1.775  -8.284
   87   1HB   ALA   7          1HB       ALA   7 -10.954  -2.838  -9.935
   88   2HB   ALA   7          2HB       ALA   7  -9.400  -2.236 -10.533
   89   3HB   ALA   7          3HB       ALA   7  -9.457  -3.735  -9.594
   90    H    THR   8           H        THR   8 -12.271  -1.252  -8.514
   91    HA   THR   8           HA       THR   8 -11.928   1.402  -9.581
   92    HB   THR   8           HB       THR   8 -14.317   1.750  -8.879
   93    HG1  THR   8           1HG      THR   8 -15.425  -0.018  -8.144
   94   1HG2  THR   8          1HG2      THR   8 -13.776  -0.787 -10.471
   95   2HG2  THR   8          2HG2      THR   8 -15.250   0.201 -10.523
   96   3HG2  THR   8          3HG2      THR   8 -13.718   0.871 -11.117
   97    H    LEU   9           H        LEU   9 -11.947   0.230  -6.297
   98    HA   LEU   9           HA       LEU   9 -12.097   2.797  -4.974
   99   1HB   LEU   9          2HB       LEU   9 -11.078   0.063  -4.151
  100   2HB   LEU   9          3HB       LEU   9 -10.882   1.459  -3.094
  101    HG   LEU   9           HG       LEU   9 -13.574   0.733  -4.246
  102   1HD1  LEU   9          1HD1      LEU   9 -12.350  -0.236  -1.617
  103   2HD1  LEU   9          2HD1      LEU   9 -14.038  -0.478  -2.114
  104   3HD1  LEU   9          3HD1      LEU   9 -12.733  -1.242  -3.028
  105   1HD2  LEU   9          1HD2      LEU   9 -13.408   2.969  -3.221
  106   2HD2  LEU   9          2HD2      LEU   9 -14.412   1.903  -2.222
  107   3HD2  LEU   9          3HD2      LEU   9 -12.739   2.244  -1.734
  108    H    PHE  10           H        PHE  10  -9.319   0.620  -5.493
  109    HA   PHE  10           HA       PHE  10  -7.175   2.289  -4.870
  110   1HB   PHE  10          2HB       PHE  10  -6.896  -0.054  -5.400
  111   2HB   PHE  10          3HB       PHE  10  -7.450   0.186  -7.047
  112    HD1  PHE  10           HD1      PHE  10  -5.935   0.824  -8.799
  113    HD2  PHE  10           HD2      PHE  10  -4.653   0.849  -4.688
  114    HE1  PHE  10           HE1      PHE  10  -3.562   1.135  -9.524
  115    HE2  PHE  10           HE2      PHE  10  -2.317   1.275  -5.423
  116    HZ   PHE  10           HZ       PHE  10  -1.767   1.445  -7.816
  117    H    LYS  11           H        LYS  11  -8.920   2.178  -7.949
  118    HA   LYS  11           HA       LYS  11  -7.196   3.962  -9.393
  119   1HB   LYS  11          2HB       LYS  11  -9.091   2.320 -10.204
  120   2HB   LYS  11          3HB       LYS  11 -10.134   3.744 -10.075
  121   1HG   LYS  11          2HG       LYS  11  -8.585   4.952 -11.632
  122   2HG   LYS  11          3HG       LYS  11  -7.518   3.529 -11.625
  123   1HD   LYS  11          2HD       LYS  11  -9.325   2.171 -12.666
  124   2HD   LYS  11          3HD       LYS  11 -10.348   3.613 -12.714
  125   1HE   LYS  11          2HE       LYS  11  -9.362   3.305 -14.900
  126   2HE   LYS  11          3HE       LYS  11  -8.692   4.761 -14.163
  127   1HZ   LYS  11          1HZ       LYS  11  -7.320   2.120 -14.269
  128   2HZ   LYS  11          2HZ       LYS  11  -6.951   3.416 -15.203
  129   3HZ   LYS  11          3HZ       LYS  11  -6.699   3.469 -13.583
  130    H    THR  12           H        THR  12  -9.568   4.765  -7.026
  131    HA   THR  12           HA       THR  12  -8.845   7.627  -7.317
  132    HB   THR  12           HB       THR  12 -10.953   7.410  -8.446
  133    HG1  THR  12           1HG      THR  12 -11.908   9.083  -7.392
  134   1HG2  THR  12          1HG2      THR  12 -12.182   6.550  -5.806
  135   2HG2  THR  12          2HG2      THR  12 -13.050   6.981  -7.292
  136   3HG2  THR  12          3HG2      THR  12 -12.023   5.542  -7.256
  137    H    ARG  13           H        ARG  13  -7.692   5.763  -5.706
  138    HA   ARG  13           HA       ARG  13  -7.917   7.243  -3.117
  139   1HB   ARG  13          2HB       ARG  13  -7.702   4.205  -3.357
  140   2HB   ARG  13          3HB       ARG  13  -7.461   5.108  -1.863
  141   1HG   ARG  13          2HG       ARG  13 -10.078   5.003  -3.405
  142   2HG   ARG  13          3HG       ARG  13  -9.650   3.979  -2.045
  143   1HD   ARG  13          2HD       ARG  13  -9.441   6.037  -0.630
  144   2HD   ARG  13          3HD       ARG  13  -9.947   7.013  -2.005
  145    HE   ARG  13           HE       ARG  13 -11.628   5.281  -0.343
  146   1HH1  ARG  13          1HH2      ARG  13 -11.454   6.928  -3.441
  147   2HH1  ARG  13          2HH2      ARG  13 -13.170   6.906  -3.678
  148   1HH2  ARG  13          1HH1      ARG  13 -13.822   5.093  -0.791
  149   2HH2  ARG  13          2HH1      ARG  13 -14.461   5.783  -2.252
  150    H    CYS  14           H        CYS  14  -6.009   4.999  -5.081
  151    HA   CYS  14           HA       CYS  14  -3.520   5.918  -3.689
  152   1HB   CYS  14          2HB       CYS  14  -3.903   3.256  -4.942
  153   2HB   CYS  14          3HB       CYS  14  -2.784   3.688  -3.666
  154    H    LEU  15           H        LEU  15  -4.920   4.954  -6.841
  155    HA   LEU  15           HA       LEU  15  -2.618   4.699  -8.354
  156   1HB   LEU  15          2HB       LEU  15  -5.007   4.245  -9.042
  157   2HB   LEU  15          3HB       LEU  15  -5.212   5.979  -9.289
  158    HG   LEU  15           HG       LEU  15  -3.041   5.640 -10.877
  159   1HD1  LEU  15          1HD1      LEU  15  -4.393   2.923 -10.986
  160   2HD1  LEU  15          2HD1      LEU  15  -3.085   3.514 -12.046
  161   3HD1  LEU  15          3HD1      LEU  15  -2.768   3.255 -10.330
  162   1HD2  LEU  15          1HD2      LEU  15  -5.136   6.533 -11.655
  163   2HD2  LEU  15          2HD2      LEU  15  -4.527   5.320 -12.790
  164   3HD2  LEU  15          3HD2      LEU  15  -5.864   4.922 -11.667
  165    H    GLN  16           H        GLN  16  -4.126   7.738  -7.363
  166    HA   GLN  16           HA       GLN  16  -2.716   9.606  -8.936
  167   1HB   GLN  16          2HB       GLN  16  -3.244  11.207  -7.175
  168   2HB   GLN  16          3HB       GLN  16  -4.629  10.185  -7.546
  169   1HG   GLN  16          2HG       GLN  16  -4.214   8.840  -5.503
  170   2HG   GLN  16          3HG       GLN  16  -2.772   9.801  -5.153
  171   1HE2  GLN  16          2HE2      GLN  16  -3.043  11.722  -3.906
  172   2HE2  GLN  16          1HE2      GLN  16  -4.700  12.295  -3.598
  173    H    CYS  17           H        CYS  17  -1.404   7.584  -6.439
  174    HA   CYS  17           HA       CYS  17   1.175   9.108  -6.569
  175   1HB   CYS  17          2HB       CYS  17   0.004   7.639  -4.192
  176   2HB   CYS  17          3HB       CYS  17   1.611   8.328  -4.264
  177    H    HIS  18           H        HIS  18  -0.323   5.942  -6.754
  178    HA   HIS  18           HA       HIS  18   2.351   4.590  -6.765
  179   1HB   HIS  18          1HB       HIS  18  -0.348   3.780  -5.597
  180   2HB   HIS  18          2HB       HIS  18   0.924   2.624  -5.894
  181    HD1  HIS  18           HD1      HIS  18   3.448   3.528  -4.715
  182    HD2  HIS  18           HD2      HIS  18  -0.305   4.486  -3.084
  183    HE1  HIS  18           HE1      HIS  18   3.836   3.994  -2.240
  184    H    THR  19           H        THR  19   2.526   2.614  -7.814
  185    HA   THR  19           HA       THR  19   0.618   1.965 -10.011
  186    HB   THR  19           HB       THR  19   2.583   1.322 -11.319
  187    HG1  THR  19           1HG      THR  19   4.408   2.943 -10.501
  188   1HG2  THR  19          1HG2      THR  19   2.508   4.289 -10.646
  189   2HG2  THR  19          2HG2      THR  19   3.094   3.552 -12.152
  190   3HG2  THR  19          3HG2      THR  19   1.375   3.459 -11.735
  191    H    VAL  20           H        VAL  20   0.507  -0.252 -10.536
  192    HA   VAL  20           HA       VAL  20   1.707  -2.217  -8.635
  193    HB   VAL  20           HB       VAL  20  -0.423  -1.235  -7.770
  194   1HG1  VAL  20          1HG1      VAL  20  -1.820  -2.933  -9.846
  195   2HG1  VAL  20          2HG1      VAL  20  -2.549  -1.974  -8.544
  196   3HG1  VAL  20          3HG1      VAL  20  -1.713  -1.155  -9.878
  197   1HG2  VAL  20          1HG2      VAL  20   0.481  -3.376  -6.917
  198   2HG2  VAL  20          2HG2      VAL  20  -1.290  -3.306  -6.853
  199   3HG2  VAL  20          3HG2      VAL  20  -0.483  -4.249  -8.114
  200    H    GLU  21           H        GLU  21   0.860  -1.539 -11.719
  201    HA   GLU  21           HA       GLU  21   1.036  -4.298 -12.780
  202   1HB   GLU  21          2HB       GLU  21   1.770  -2.190 -14.642
  203   2HB   GLU  21          3HB       GLU  21   0.512  -3.395 -14.785
  204   1HG   GLU  21          2HG       GLU  21  -1.078  -1.983 -13.537
  205   2HG   GLU  21          3HG       GLU  21   0.173  -0.763 -13.253
  206    H    LYS  22           H        LYS  22   3.153  -5.167 -13.577
  207    HA   LYS  22           HA       LYS  22   5.325  -4.079 -12.115
  208   1HB   LYS  22          2HB       LYS  22   4.786  -6.529 -12.845
  209   2HB   LYS  22          3HB       LYS  22   5.683  -6.120 -14.319
  210   1HG   LYS  22          2HG       LYS  22   7.602  -5.384 -12.926
  211   2HG   LYS  22          3HG       LYS  22   6.699  -5.730 -11.443
  212   1HD   LYS  22          2HD       LYS  22   6.614  -8.130 -12.144
  213   2HD   LYS  22          3HD       LYS  22   7.490  -7.678 -13.595
  214   1HE   LYS  22          2HE       LYS  22   8.361  -7.834 -10.688
  215   2HE   LYS  22          3HE       LYS  22   9.173  -8.519 -12.092
  216   1HZ   LYS  22          1HZ       LYS  22   9.265  -5.659 -11.176
  217   2HZ   LYS  22          2HZ       LYS  22  10.510  -6.648 -11.289
  218   3HZ   LYS  22          3HZ       LYS  22   9.797  -6.104 -12.653
  219    H    GLY  23           H        GLY  23   4.305  -3.139 -15.260
  220   1HA   GLY  23          1HA       GLY  23   6.960  -2.019 -15.998
  221   2HA   GLY  23          2HA       GLY  23   5.439  -1.776 -16.858
  222    H    GLY  24           H        GLY  24   4.503  -1.191 -13.791
  223   1HA   GLY  24          1HA       GLY  24   3.950   1.490 -14.256
  224   2HA   GLY  24          2HA       GLY  24   3.853   0.651 -12.718
  225    HA   PRO  25           HA       PRO  25   8.028   3.104 -12.905
  226   1HB   PRO  25          2HB       PRO  25   7.590   5.777 -13.396
  227   2HB   PRO  25          3HB       PRO  25   8.031   4.593 -14.665
  228   1HG   PRO  25          2HG       PRO  25   5.263   5.584 -13.925
  229   2HG   PRO  25          3HG       PRO  25   5.991   5.450 -15.560
  230   1HD   PRO  25          2HD       PRO  25   4.331   3.546 -14.575
  231   2HD   PRO  25          3HD       PRO  25   5.752   3.093 -15.567
  232    H    HIS  26           H        HIS  26   8.685   4.007 -10.988
  233    HA   HIS  26           HA       HIS  26   6.835   4.480  -8.802
  234   1HB   HIS  26          2HB       HIS  26   9.728   5.369  -9.101
  235   2HB   HIS  26          3HB       HIS  26   8.805   5.153  -7.611
  236    HD1  HIS  26           HD1      HIS  26   7.727   2.134  -8.543
  237    HD2  HIS  26           HD2      HIS  26  11.652   3.635  -8.431
  238    HE1  HIS  26           HE1      HIS  26   9.297   0.136  -8.060
  239    H    LYS  27           H        LYS  27   6.326   6.516  -7.882
  240    HA   LYS  27           HA       LYS  27   6.930   8.973  -9.406
  241   1HB   LYS  27          2HB       LYS  27   4.899   7.755 -10.400
  242   2HB   LYS  27          3HB       LYS  27   4.003   8.217  -8.963
  243   1HG   LYS  27          2HG       LYS  27   4.355  10.610  -9.506
  244   2HG   LYS  27          3HG       LYS  27   5.484  10.166 -10.802
  245   1HD   LYS  27          2HD       LYS  27   3.622   8.943 -11.959
  246   2HD   LYS  27          3HD       LYS  27   2.495   9.565 -10.734
  247   1HE   LYS  27          2HE       LYS  27   3.001  11.873 -11.382
  248   2HE   LYS  27          3HE       LYS  27   4.294  11.329 -12.458
  249   1HZ   LYS  27          1HZ       LYS  27   1.416  10.718 -12.829
  250   2HZ   LYS  27          2HZ       LYS  27   2.277  11.809 -13.710
  251   3HZ   LYS  27          3HZ       LYS  27   2.624  10.207 -13.815
  252    H    VAL  28           H        VAL  28   4.213   9.440  -7.479
  253    HA   VAL  28           HA       VAL  28   5.599  11.050  -5.536
  254    HB   VAL  28           HB       VAL  28   2.829   9.865  -5.244
  255   1HG1  VAL  28          1HG1      VAL  28   4.072  12.445  -4.203
  256   2HG1  VAL  28          2HG1      VAL  28   2.386  11.941  -3.963
  257   3HG1  VAL  28          3HG1      VAL  28   3.693  11.004  -3.235
  258   1HG2  VAL  28          1HG2      VAL  28   2.837  10.948  -7.442
  259   2HG2  VAL  28          2HG2      VAL  28   1.939  11.929  -6.299
  260   3HG2  VAL  28          3HG2      VAL  28   3.594  12.400  -6.744
  261    H    GLY  29           H        GLY  29   4.414   7.709  -5.558
  262   1HA   GLY  29          1HA       GLY  29   6.364   7.086  -3.404
  263   2HA   GLY  29          2HA       GLY  29   4.759   6.336  -3.402
  264    HA   PRO  30           HA       PRO  30   7.794   3.779  -5.948
  265   1HB   PRO  30          2HB       PRO  30   7.733   1.462  -4.487
  266   2HB   PRO  30          3HB       PRO  30   8.791   2.848  -4.084
  267   1HG   PRO  30          2HG       PRO  30   6.063   2.182  -2.920
  268   2HG   PRO  30          3HG       PRO  30   7.588   2.541  -2.044
  269   1HD   PRO  30          2HD       PRO  30   5.746   4.477  -2.477
  270   2HD   PRO  30          3HD       PRO  30   7.470   4.832  -2.583
  271    H    ASN  31           H        ASN  31   7.293   1.320  -6.610
  272    HA   ASN  31           HA       ASN  31   4.489   1.079  -7.563
  273   1HB   ASN  31          2HB       ASN  31   6.510   0.552  -9.050
  274   2HB   ASN  31          3HB       ASN  31   6.817  -0.840  -7.999
  275   1HD2  ASN  31          2HD2      ASN  31   5.612  -0.129 -10.976
  276   2HD2  ASN  31          1HD2      ASN  31   4.395  -1.404 -11.025
  277    H    LEU  32           H        LEU  32   3.369  -0.921  -6.958
  278    HA   LEU  32           HA       LEU  32   3.925  -1.884  -4.177
  279   1HB   LEU  32          2HB       LEU  32   1.288  -1.569  -5.650
  280   2HB   LEU  32          3HB       LEU  32   1.478  -2.172  -4.011
  281    HG   LEU  32           HG       LEU  32   2.196   0.652  -4.935
  282   1HD1  LEU  32          1HD1      LEU  32  -0.162  -0.314  -3.276
  283   2HD1  LEU  32          2HD1      LEU  32   0.221   1.361  -3.684
  284   3HD1  LEU  32          3HD1      LEU  32  -0.227   0.225  -4.971
  285   1HD2  LEU  32          1HD2      LEU  32   3.560   0.013  -3.008
  286   2HD2  LEU  32          2HD2      LEU  32   2.309   1.144  -2.489
  287   3HD2  LEU  32          3HD2      LEU  32   2.126  -0.590  -2.152
  288    H    HIS  33           H        HIS  33   3.923  -2.953  -7.377
  289    HA   HIS  33           HA       HIS  33   2.814  -5.583  -7.226
  290   1HB   HIS  33          2HB       HIS  33   3.224  -4.163  -9.279
  291   2HB   HIS  33          3HB       HIS  33   4.935  -4.480  -9.119
  292    HD1  HIS  33           HD1      HIS  33   1.649  -6.268  -9.985
  293    HD2  HIS  33           HD2      HIS  33   5.791  -6.973  -9.732
  294    HE1  HIS  33           HE1      HIS  33   2.104  -8.483 -11.209
  295    H    GLY  34           H        GLY  34   3.609  -6.697  -5.484
  296   1HA   GLY  34          1HA       GLY  34   5.178  -8.502  -4.915
  297   2HA   GLY  34          2HA       GLY  34   6.499  -7.538  -5.546
  298    H    ILE  35           H        ILE  35   4.343  -5.589  -3.638
  299    HA   ILE  35           HA       ILE  35   6.260  -5.449  -1.467
  300    HB   ILE  35           HB       ILE  35   4.625  -4.156  -0.208
  301   1HG1  ILE  35          2HG1      ILE  35   2.618  -3.360  -1.895
  302   2HG1  ILE  35          3HG1      ILE  35   2.666  -5.077  -2.268
  303   1HG2  ILE  35          1HG2      ILE  35   5.151  -3.306  -3.066
  304   2HG2  ILE  35          2HG2      ILE  35   4.652  -2.217  -1.747
  305   3HG2  ILE  35          3HG2      ILE  35   6.189  -3.080  -1.654
  306   1HD1  ILE  35          1HD1      ILE  35   2.354  -3.874   0.519
  307   2HD1  ILE  35          2HD1      ILE  35   1.053  -4.550  -0.479
  308   3HD1  ILE  35          3HD1      ILE  35   2.332  -5.606   0.141
  309    H    PHE  36           H        PHE  36   3.272  -7.365  -1.846
  310    HA   PHE  36           HA       PHE  36   3.121  -8.292   0.831
  311   1HB   PHE  36          2HB       PHE  36   2.113  -9.504  -1.759
  312   2HB   PHE  36          3HB       PHE  36   1.814 -10.209  -0.177
  313    HD1  PHE  36           HD1      PHE  36   0.743  -8.739   1.657
  314    HD2  PHE  36           HD2      PHE  36   0.634  -7.773  -2.548
  315    HE1  PHE  36           HE1      PHE  36  -1.148  -7.199   2.068
  316    HE2  PHE  36           HE2      PHE  36  -1.263  -6.255  -2.146
  317    HZ   PHE  36           HZ       PHE  36  -2.166  -5.949   0.184
  318    H    GLY  37           H        GLY  37   4.545  -9.286   1.926
  319   1HA   GLY  37          1HA       GLY  37   5.852 -11.188   2.551
  320   2HA   GLY  37          2HA       GLY  37   6.129 -11.575   0.851
  321    H    ARG  38           H        ARG  38   6.634  -8.370   0.841
  322    HA   ARG  38           HA       ARG  38   9.562  -8.537   1.307
  323   1HB   ARG  38          2HB       ARG  38   8.158  -7.272  -0.674
  324   2HB   ARG  38          3HB       ARG  38   8.174  -5.972   0.496
  325   1HG   ARG  38          2HG       ARG  38  10.044  -5.593  -0.884
  326   2HG   ARG  38          3HG       ARG  38  10.743  -6.313   0.573
  327   1HD   ARG  38          2HD       ARG  38  10.488  -8.582  -0.728
  328   2HD   ARG  38          3HD       ARG  38  10.243  -7.553  -2.147
  329    HE   ARG  38           HE       ARG  38  12.636  -6.916  -0.545
  330   1HH1  ARG  38          1HH2      ARG  38  11.532  -8.781  -3.237
  331   2HH1  ARG  38          2HH2      ARG  38  13.139  -9.207  -3.777
  332   1HH2  ARG  38          1HH1      ARG  38  14.601  -7.358  -1.210
  333   2HH2  ARG  38          2HH1      ARG  38  14.919  -8.314  -2.650
  334    H    HIS  39           H        HIS  39  10.421  -6.517   2.346
  335    HA   HIS  39           HA       HIS  39   8.971  -5.882   4.884
  336   1HB   HIS  39          2HB       HIS  39  11.897  -5.493   4.137
  337   2HB   HIS  39          3HB       HIS  39  11.140  -4.868   5.606
  338    HD1  HIS  39           HD1      HIS  39  12.597  -8.062   4.250
  339    HD2  HIS  39           HD2      HIS  39  10.049  -6.756   7.333
  340    HE1  HIS  39           HE1      HIS  39  12.364 -10.027   5.896
  341    H    SER  40           H        SER  40   8.539  -3.659   5.340
  342    HA   SER  40           HA       SER  40   8.155  -1.761   3.375
  343   1HB   SER  40          2HB       SER  40   9.271  -0.923   6.036
  344   2HB   SER  40          3HB       SER  40   8.157  -0.037   5.004
  345    HG   SER  40           HG       SER  40   6.594  -1.686   5.483
  346    H    GLY  41           H        GLY  41   9.233  -0.381   2.220
  347   1HA   GLY  41          1HA       GLY  41  11.018   1.011   1.613
  348   2HA   GLY  41          2HA       GLY  41  11.977   0.363   2.902
  349    H    GLN  42           H        GLN  42  10.677  -1.521   0.091
  350    HA   GLN  42           HA       GLN  42  13.504  -1.879  -0.831
  351   1HB   GLN  42          2HB       GLN  42  11.622  -4.110  -0.051
  352   2HB   GLN  42          3HB       GLN  42  13.097  -4.347  -0.998
  353   1HG   GLN  42          2HG       GLN  42  14.282  -3.066   0.941
  354   2HG   GLN  42          3HG       GLN  42  12.854  -3.500   1.877
  355   1HE2  GLN  42          2HE2      GLN  42  15.536  -4.393   2.413
  356   2HE2  GLN  42          1HE2      GLN  42  15.599  -6.140   2.153
  357    H    ALA  43           H        ALA  43  11.100  -0.515  -2.236
  358    HA   ALA  43           HA       ALA  43  10.801  -1.974  -4.698
  359   1HB   ALA  43          1HB       ALA  43  10.616   1.000  -4.089
  360   2HB   ALA  43          2HB       ALA  43  10.092   0.235  -5.601
  361   3HB   ALA  43          3HB       ALA  43   9.293  -0.190  -4.081
  362    H    GLU  44           H        GLU  44  11.564  -1.044  -6.851
  363    HA   GLU  44           HA       GLU  44  14.284  -1.900  -6.861
  364   1HB   GLU  44          2HB       GLU  44  12.474  -1.140  -9.186
  365   2HB   GLU  44          3HB       GLU  44  14.025  -1.991  -9.303
  366   1HG   GLU  44          2HG       GLU  44  13.044  -3.785  -7.784
  367   2HG   GLU  44          3HG       GLU  44  11.492  -2.980  -7.906
  368    H    GLY  45           H        GLY  45  15.206  -0.118  -5.655
  369   1HA   GLY  45          1HA       GLY  45  17.090   1.353  -5.869
  370   2HA   GLY  45          2HA       GLY  45  16.590   1.771  -7.502
  371    H    TYR  46           H        TYR  46  14.103   1.936  -5.121
  372    HA   TYR  46           HA       TYR  46  14.011   4.903  -5.411
  373   1HB   TYR  46          2HB       TYR  46  12.234   3.526  -6.285
  374   2HB   TYR  46          3HB       TYR  46  11.824   2.941  -4.701
  375    HD1  TYR  46           HD1      TYR  46  11.452   5.634  -7.119
  376    HD2  TYR  46           HD2      TYR  46  11.165   4.713  -2.938
  377    HE1  TYR  46           HE1      TYR  46   9.837   7.516  -6.836
  378    HE2  TYR  46           HE2      TYR  46   9.518   6.604  -2.643
  379    HH   TYR  46           HH       TYR  46   8.381   8.589  -5.392
  380    H    SER  47           H        SER  47  14.249   6.309  -3.868
  381    HA   SER  47           HA       SER  47  15.073   5.441  -1.224
  382   1HB   SER  47          2HB       SER  47  14.899   8.207  -2.465
  383   2HB   SER  47          3HB       SER  47  15.596   7.833  -0.872
  384    HG   SER  47           HG       SER  47  17.248   7.824  -2.395
  385    H    TYR  48           H        TYR  48  13.533   4.883   0.133
  386    HA   TYR  48           HA       TYR  48  11.030   6.153   0.704
  387   1HB   TYR  48          2HB       TYR  48  12.772   4.099   2.117
  388   2HB   TYR  48          3HB       TYR  48  11.170   4.543   2.671
  389    HD1  TYR  48           HD1      TYR  48   9.191   3.746   1.670
  390    HD2  TYR  48           HD2      TYR  48  13.003   2.946  -0.198
  391    HE1  TYR  48           HE1      TYR  48   8.152   1.988   0.276
  392    HE2  TYR  48           HE2      TYR  48  11.919   1.311  -1.690
  393    HH   TYR  48           HH       TYR  48   8.776  -0.012  -0.984
  394    H    THR  49           H        THR  49  10.930   6.338   3.502
  395    HA   THR  49           HA       THR  49  12.792   8.572   4.278
  396    HB   THR  49           HB       THR  49  11.284   8.807   6.286
  397    HG1  THR  49           1HG      THR  49   9.285   7.477   4.881
  398   1HG2  THR  49          1HG2      THR  49  10.059   9.189   3.567
  399   2HG2  THR  49          2HG2      THR  49   9.446   9.913   5.068
  400   3HG2  THR  49          3HG2      THR  49  11.057  10.356   4.463
  401    H    ASP  50           H        ASP  50  13.715   8.636   6.410
  402    HA   ASP  50           HA       ASP  50  15.016   6.361   7.438
  403   1HB   ASP  50          2HB       ASP  50  15.564   8.738   7.893
  404   2HB   ASP  50          3HB       ASP  50  14.085   8.899   8.845
  405    H    ALA  51           H        ALA  51  11.898   7.791   8.486
  406    HA   ALA  51           HA       ALA  51  11.250   5.877  10.470
  407   1HB   ALA  51          1HB       ALA  51   9.411   7.593   8.741
  408   2HB   ALA  51          2HB       ALA  51   8.986   6.810  10.280
  409   3HB   ALA  51          3HB       ALA  51  10.196   8.096  10.258
  410    H    ASN  52           H        ASN  52  10.391   5.808   6.938
  411    HA   ASN  52           HA       ASN  52   8.829   3.383   7.169
  412   1HB   ASN  52          2HB       ASN  52   8.605   4.993   5.294
  413   2HB   ASN  52          3HB       ASN  52  10.250   4.600   4.767
  414   1HD2  ASN  52          2HD2      ASN  52   7.010   3.918   4.012
  415   2HD2  ASN  52          1HD2      ASN  52   7.389   2.308   3.333
  416    H    ILE  53           H        ILE  53  12.271   3.954   6.534
  417    HA   ILE  53           HA       ILE  53  12.949   1.177   6.188
  418    HB   ILE  53           HB       ILE  53  14.548   3.588   7.041
  419   1HG1  ILE  53          2HG1      ILE  53  14.624   2.123   4.349
  420   2HG1  ILE  53          3HG1      ILE  53  13.527   3.458   4.649
  421   1HG2  ILE  53          1HG2      ILE  53  15.597   0.822   6.248
  422   2HG2  ILE  53          2HG2      ILE  53  16.619   2.258   6.470
  423   3HG2  ILE  53          3HG2      ILE  53  15.757   1.583   7.842
  424   1HD1  ILE  53          1HD1      ILE  53  16.560   3.627   4.680
  425   2HD1  ILE  53          2HD1      ILE  53  15.438   4.327   3.503
  426   3HD1  ILE  53          3HD1      ILE  53  15.468   4.947   5.166
  427    H    LYS  54           H        LYS  54  13.486   3.238   9.117
  428    HA   LYS  54           HA       LYS  54  14.149   1.060  10.824
  429   1HB   LYS  54          2HB       LYS  54  12.978   3.811  11.418
  430   2HB   LYS  54          3HB       LYS  54  13.605   2.707  12.654
  431   1HG   LYS  54          2HG       LYS  54  15.815   2.687  11.579
  432   2HG   LYS  54          3HG       LYS  54  15.249   3.769  10.307
  433   1HD   LYS  54          2HD       LYS  54  14.753   5.520  11.931
  434   2HD   LYS  54          3HD       LYS  54  15.303   4.488  13.270
  435   1HE   LYS  54          2HE       LYS  54  17.570   4.509  12.504
  436   2HE   LYS  54          3HE       LYS  54  17.085   5.056  10.884
  437   1HZ   LYS  54          1HZ       LYS  54  16.804   6.785  13.265
  438   2HZ   LYS  54          2HZ       LYS  54  18.009   6.893  12.099
  439   3HZ   LYS  54          3HZ       LYS  54  16.465   7.123  11.697
  440    H    LYS  55           H        LYS  55  11.255   1.519   9.427
  441    HA   LYS  55           HA       LYS  55   9.577   0.256  11.572
  442   1HB   LYS  55          2HB       LYS  55   8.499   2.005  10.274
  443   2HB   LYS  55          3HB       LYS  55   8.941   1.230   8.776
  444   1HG   LYS  55          2HG       LYS  55   6.711   0.826   8.945
  445   2HG   LYS  55          3HG       LYS  55   7.427  -0.699   9.360
  446   1HD   LYS  55          2HD       LYS  55   6.659   1.222  11.590
  447   2HD   LYS  55          3HD       LYS  55   5.399   0.389  10.692
  448   1HE   LYS  55          2HE       LYS  55   6.786  -1.776  11.165
  449   2HE   LYS  55          3HE       LYS  55   7.555  -0.833  12.433
  450   1HZ   LYS  55          1HZ       LYS  55   4.607  -1.221  12.183
  451   2HZ   LYS  55          2HZ       LYS  55   5.544  -2.070  13.215
  452   3HZ   LYS  55          3HZ       LYS  55   5.359  -0.444  13.406
  453    H    ASN  56           H        ASN  56  11.171  -0.593   8.561
  454    HA   ASN  56           HA       ASN  56  10.686  -2.388   7.087
  455   1HB   ASN  56          2HB       ASN  56  12.517  -3.268   9.336
  456   2HB   ASN  56          3HB       ASN  56  12.254  -4.254   7.909
  457   1HD2  ASN  56          2HD2      ASN  56  12.300  -1.969   5.841
  458   2HD2  ASN  56          1HD2      ASN  56  13.971  -1.495   6.027
  459    H    VAL  57           H        VAL  57   8.267  -2.456   7.738
  460    HA   VAL  57           HA       VAL  57   7.574  -4.834   9.330
  461    HB   VAL  57           HB       VAL  57   6.247  -2.403   8.698
  462   1HG1  VAL  57          1HG1      VAL  57   4.582  -4.723   7.669
  463   2HG1  VAL  57          2HG1      VAL  57   4.039  -3.058   7.960
  464   3HG1  VAL  57          3HG1      VAL  57   5.219  -3.381   6.697
  465   1HG2  VAL  57          1HG2      VAL  57   6.337  -3.709  10.817
  466   2HG2  VAL  57          2HG2      VAL  57   4.702  -3.199  10.359
  467   3HG2  VAL  57          3HG2      VAL  57   5.220  -4.881  10.110
  468    H    LEU  58           H        LEU  58   7.117  -6.802   8.596
  469    HA   LEU  58           HA       LEU  58   7.430  -7.406   5.779
  470   1HB   LEU  58          2HB       LEU  58   8.030  -8.927   7.657
  471   2HB   LEU  58          3HB       LEU  58   6.315  -9.216   7.956
  472    HG   LEU  58           HG       LEU  58   7.497  -9.628   5.173
  473   1HD1  LEU  58          1HD1      LEU  58   7.573 -11.662   7.434
  474   2HD1  LEU  58          2HD1      LEU  58   8.016 -11.948   5.730
  475   3HD1  LEU  58          3HD1      LEU  58   8.977 -10.833   6.714
  476   1HD2  LEU  58          1HD2      LEU  58   5.044  -9.846   5.350
  477   2HD2  LEU  58          2HD2      LEU  58   5.770 -11.427   5.061
  478   3HD2  LEU  58          3HD2      LEU  58   5.221 -10.986   6.694
  479    H    TRP  59           H        TRP  59   6.016  -6.576   4.433
  480    HA   TRP  59           HA       TRP  59   3.322  -5.895   5.065
  481   1HB   TRP  59          2HB       TRP  59   4.730  -6.319   2.422
  482   2HB   TRP  59          3HB       TRP  59   3.104  -5.653   2.542
  483    HD1  TRP  59           HD1      TRP  59   6.291  -4.430   1.791
  484    HE1  TRP  59           HE1      TRP  59   6.608  -1.915   2.489
  485    HE3  TRP  59           HE3      TRP  59   2.368  -3.925   5.016
  486    HZ2  TRP  59           HZ2      TRP  59   5.524  -0.128   4.301
  487    HZ3  TRP  59           HZ3      TRP  59   1.966  -1.842   6.182
  488    HH2  TRP  59           HH2      TRP  59   3.556   0.117   5.908
  489    H    ASP  60           H        ASP  60   1.837  -7.262   5.553
  490    HA   ASP  60           HA       ASP  60   1.274  -9.751   4.017
  491   1HB   ASP  60          2HB       ASP  60   2.086 -10.700   5.923
  492   2HB   ASP  60          3HB       ASP  60   1.850  -9.243   6.872
  493    H    GLU  61           H        GLU  61  -0.999 -10.484   4.746
  494    HA   GLU  61           HA       GLU  61  -2.915  -8.641   3.508
  495   1HB   GLU  61          2HB       GLU  61  -3.292 -11.278   4.991
  496   2HB   GLU  61          3HB       GLU  61  -4.609 -10.335   4.271
  497   1HG   GLU  61          2HG       GLU  61  -3.552 -10.521   2.041
  498   2HG   GLU  61          3HG       GLU  61  -2.244 -11.480   2.728
  499    H    ASN  62           H        ASN  62  -2.472  -9.878   6.844
  500    HA   ASN  62           HA       ASN  62  -4.360  -7.960   7.998
  501   1HB   ASN  62          2HB       ASN  62  -4.120 -10.118   9.014
  502   2HB   ASN  62          3HB       ASN  62  -2.378  -9.958   9.155
  503   1HD2  ASN  62          2HD2      ASN  62  -1.482  -8.795  10.935
  504   2HD2  ASN  62          1HD2      ASN  62  -2.588  -8.138  12.158
  505    H    ASN  63           H        ASN  63  -0.751  -8.229   8.073
  506    HA   ASN  63           HA       ASN  63  -0.311  -5.907   9.591
  507   1HB   ASN  63          2HB       ASN  63   1.286  -7.807   8.947
  508   2HB   ASN  63          3HB       ASN  63   1.595  -6.939   7.453
  509   1HD2  ASN  63          2HD2      ASN  63   1.431  -4.235   9.117
  510   2HD2  ASN  63          1HD2      ASN  63   3.031  -4.340   9.861
  511    H    MET  64           H        MET  64  -0.703  -5.983   5.986
  512    HA   MET  64           HA       MET  64  -0.009  -3.139   5.815
  513   1HB   MET  64          2HB       MET  64   0.256  -5.030   4.014
  514   2HB   MET  64          3HB       MET  64  -1.411  -4.650   3.635
  515   1HG   MET  64          2HG       MET  64   0.657  -2.457   3.801
  516   2HG   MET  64          3HG       MET  64   0.617  -3.504   2.397
  517   1HE   MET  64          1HE       MET  64  -2.322  -4.010   1.589
  518   2HE   MET  64          2HE       MET  64  -2.605  -2.603   0.541
  519   3HE   MET  64          3HE       MET  64  -1.032  -3.437   0.499
  520    H    SER  65           H        SER  65  -3.007  -4.974   6.199
  521    HA   SER  65           HA       SER  65  -4.850  -2.812   5.761
  522   1HB   SER  65          2HB       SER  65  -6.494  -4.176   6.661
  523   2HB   SER  65          3HB       SER  65  -5.345  -5.341   5.990
  524    HG   SER  65           HG       SER  65  -4.485  -5.523   8.170
  525    H    GLU  66           H        GLU  66  -3.060  -3.835   8.685
  526    HA   GLU  66           HA       GLU  66  -4.138  -1.976  10.546
  527   1HB   GLU  66          2HB       GLU  66  -2.654  -3.876  11.111
  528   2HB   GLU  66          3HB       GLU  66  -1.324  -3.081  10.260
  529   1HG   GLU  66          2HG       GLU  66  -1.538  -1.142  11.882
  530   2HG   GLU  66          3HG       GLU  66  -2.748  -2.090  12.755
  531    H    TYR  67           H        TYR  67  -1.127  -1.670   8.652
  532    HA   TYR  67           HA       TYR  67  -0.482   1.012   9.013
  533   1HB   TYR  67          2HB       TYR  67   1.003  -0.514   7.931
  534   2HB   TYR  67          3HB       TYR  67  -0.167  -0.892   6.688
  535    HD1  TYR  67           HD1      TYR  67   0.331  -0.108   4.560
  536    HD2  TYR  67           HD2      TYR  67   1.455   2.205   7.985
  537    HE1  TYR  67           HE1      TYR  67   1.513   1.486   3.076
  538    HE2  TYR  67           HE2      TYR  67   2.663   3.837   6.502
  539    HH   TYR  67           HH       TYR  67   3.143   3.126   3.075
  540    H    LEU  68           H        LEU  68  -2.779  -0.255   6.488
  541    HA   LEU  68           HA       LEU  68  -3.240   2.399   5.413
  542   1HB   LEU  68          2HB       LEU  68  -4.811  -0.187   5.291
  543   2HB   LEU  68          3HB       LEU  68  -5.347   1.281   4.475
  544    HG   LEU  68           HG       LEU  68  -2.701  -0.116   3.930
  545   1HD1  LEU  68          1HD1      LEU  68  -5.361  -0.060   2.423
  546   2HD1  LEU  68          2HD1      LEU  68  -3.863  -0.796   1.830
  547   3HD1  LEU  68          3HD1      LEU  68  -4.645  -1.461   3.266
  548   1HD2  LEU  68          1HD2      LEU  68  -2.545   2.264   3.367
  549   2HD2  LEU  68          2HD2      LEU  68  -2.642   1.292   1.907
  550   3HD2  LEU  68          3HD2      LEU  68  -4.082   2.179   2.466
  551    H    THR  69           H        THR  69  -4.486   0.925   8.304
  552    HA   THR  69           HA       THR  69  -6.938   2.463   8.456
  553    HB   THR  69           HB       THR  69  -5.448   1.261  10.739
  554    HG1  THR  69           1HG      THR  69  -5.873  -0.315   9.239
  555   1HG2  THR  69          1HG2      THR  69  -8.398   1.916  10.340
  556   2HG2  THR  69          2HG2      THR  69  -7.706   1.057  11.730
  557   3HG2  THR  69          3HG2      THR  69  -7.288   2.756  11.454
  558    H    ASN  70           H        ASN  70  -3.667   2.970   9.783
  559    HA   ASN  70           HA       ASN  70  -4.098   5.845   9.524
  560   1HB   ASN  70          2HB       ASN  70  -4.913   5.387  11.834
  561   2HB   ASN  70          3HB       ASN  70  -3.275   4.876  12.276
  562   1HD2  ASN  70          2HD2      ASN  70  -5.042   7.265  13.133
  563   2HD2  ASN  70          1HD2      ASN  70  -3.971   8.635  12.793
  564    HA   PRO  71           HA       PRO  71   0.027   4.262   8.268
  565   1HB   PRO  71          2HB       PRO  71   0.463   5.996   6.151
  566   2HB   PRO  71          3HB       PRO  71  -0.468   4.476   6.043
  567   1HG   PRO  71          2HG       PRO  71  -1.538   7.280   6.455
  568   2HG   PRO  71          3HG       PRO  71  -2.118   6.037   5.305
  569   1HD   PRO  71          2HD       PRO  71  -3.358   6.421   7.657
  570   2HD   PRO  71          3HD       PRO  71  -3.115   4.759   7.038
  571    H    LYS  72           H        LYS  72  -0.982   7.568   8.944
  572    HA   LYS  72           HA       LYS  72   1.640   8.759   9.288
  573   1HB   LYS  72          2HB       LYS  72  -1.196   9.497  10.096
  574   2HB   LYS  72          3HB       LYS  72   0.151  10.311  10.876
  575   1HG   LYS  72          2HG       LYS  72  -0.566  11.688   9.094
  576   2HG   LYS  72          3HG       LYS  72   1.030  11.046   8.685
  577   1HD   LYS  72          2HD       LYS  72   0.004   9.396   7.175
  578   2HD   LYS  72          3HD       LYS  72  -1.621   9.957   7.605
  579   1HE   LYS  72          2HE       LYS  72   0.553  11.711   6.355
  580   2HE   LYS  72          3HE       LYS  72  -0.619  10.786   5.424
  581   1HZ   LYS  72          1HZ       LYS  72  -1.226  13.082   7.182
  582   2HZ   LYS  72          2HZ       LYS  72  -1.499  12.890   5.565
  583   3HZ   LYS  72          3HZ       LYS  72  -2.388  12.040   6.617
  584    H    LYS  73           H        LYS  73  -0.580   7.233  11.570
  585    HA   LYS  73           HA       LYS  73   1.294   7.616  13.790
  586   1HB   LYS  73          2HB       LYS  73  -1.156   7.418  14.180
  587   2HB   LYS  73          3HB       LYS  73  -1.114   5.749  13.612
  588   1HG   LYS  73          2HG       LYS  73  -1.179   5.857  16.058
  589   2HG   LYS  73          3HG       LYS  73   0.308   5.093  15.506
  590   1HD   LYS  73          2HD       LYS  73   1.523   7.273  15.868
  591   2HD   LYS  73          3HD       LYS  73   0.033   7.978  16.501
  592   1HE   LYS  73          2HE       LYS  73   1.523   5.551  17.613
  593   2HE   LYS  73          3HE       LYS  73   1.691   7.198  18.222
  594   1HZ   LYS  73          1HZ       LYS  73  -0.831   5.636  18.244
  595   2HZ   LYS  73          2HZ       LYS  73   0.124   5.923  19.547
  596   3HZ   LYS  73          3HZ       LYS  73  -0.654   7.171  18.820
  597    H    TYR  74           H        TYR  74   0.669   4.946  11.546
  598    HA   TYR  74           HA       TYR  74   2.321   3.045  12.888
  599   1HB   TYR  74          2HB       TYR  74   0.498   2.823  10.988
  600   2HB   TYR  74          3HB       TYR  74   1.860   3.045   9.906
  601    HD1  TYR  74           HD1      TYR  74   3.024   1.010   9.238
  602    HD2  TYR  74           HD2      TYR  74   0.815   1.129  12.949
  603    HE1  TYR  74           HE1      TYR  74   3.426  -1.426   9.576
  604    HE2  TYR  74           HE2      TYR  74   1.339  -1.258  13.340
  605    HH   TYR  74           HH       TYR  74   1.738  -3.176  12.011
  606    H    ILE  75           H        ILE  75   3.088   5.432  10.440
  607    HA   ILE  75           HA       ILE  75   6.008   4.948  10.852
  608    HB   ILE  75           HB       ILE  75   4.736   5.469   8.155
  609   1HG1  ILE  75          2HG1      ILE  75   5.903   2.919   9.309
  610   2HG1  ILE  75          3HG1      ILE  75   4.234   3.190   8.812
  611   1HG2  ILE  75          1HG2      ILE  75   7.604   4.791   8.989
  612   2HG2  ILE  75          2HG2      ILE  75   7.067   5.188   7.339
  613   3HG2  ILE  75          3HG2      ILE  75   7.071   6.430   8.575
  614   1HD1  ILE  75          1HD1      ILE  75   6.639   2.935   6.993
  615   2HD1  ILE  75          2HD1      ILE  75   5.213   1.900   7.094
  616   3HD1  ILE  75          3HD1      ILE  75   5.063   3.546   6.441
  617    HA   PRO  76           HA       PRO  76   4.634   9.275  11.747
  618   1HB   PRO  76          2HB       PRO  76   6.210   9.743  13.933
  619   2HB   PRO  76          3HB       PRO  76   4.653   8.856  14.005
  620   1HG   PRO  76          2HG       PRO  76   7.454   7.699  13.858
  621   2HG   PRO  76          3HG       PRO  76   6.116   7.233  14.956
  622   1HD   PRO  76          2HD       PRO  76   6.674   5.862  12.669
  623   2HD   PRO  76          3HD       PRO  76   4.993   6.074  13.240
  624    H    GLY  77           H        GLY  77   5.435  10.394  10.102
  625   1HA   GLY  77          1HA       GLY  77   7.193  12.022   9.390
  626   2HA   GLY  77          2HA       GLY  77   8.397  10.801   9.777
  627    H    THR  78           H        THR  78   5.968   9.019   8.440
  628    HA   THR  78           HA       THR  78   7.163   8.368   6.016
  629    HB   THR  78           HB       THR  78   5.412   7.092   7.084
  630    HG1  THR  78           1HG      THR  78   4.606   6.309   5.309
  631   1HG2  THR  78          1HG2      THR  78   3.325   8.986   5.938
  632   2HG2  THR  78          2HG2      THR  78   3.057   7.516   6.899
  633   3HG2  THR  78          3HG2      THR  78   3.784   8.944   7.649
  634    H    LYS  79           H        LYS  79   7.120   8.982   3.970
  635    HA   LYS  79           HA       LYS  79   6.021  11.540   3.049
  636   1HB   LYS  79          2HB       LYS  79   7.035   9.065   1.617
  637   2HB   LYS  79          3HB       LYS  79   6.499  10.516   0.758
  638   1HG   LYS  79          2HG       LYS  79   8.288  11.801   1.409
  639   2HG   LYS  79          3HG       LYS  79   8.671  10.796   2.809
  640   1HD   LYS  79          2HD       LYS  79   9.413   8.956   1.353
  641   2HD   LYS  79          3HD       LYS  79   8.931   9.861  -0.095
  642   1HE   LYS  79          2HE       LYS  79  10.593  11.550   0.285
  643   2HE   LYS  79          3HE       LYS  79  10.958  10.932   1.903
  644   1HZ   LYS  79          1HZ       LYS  79  11.453   9.336  -0.567
  645   2HZ   LYS  79          2HZ       LYS  79  12.601  10.228   0.183
  646   3HZ   LYS  79          3HZ       LYS  79  11.929   8.962   0.926
  647    H    MET  80           H        MET  80   4.410   8.521   3.711
  648    HA   MET  80           HA       MET  80   2.431   8.758   1.628
  649   1HB   MET  80          2HB       MET  80   2.989   6.617   2.603
  650   2HB   MET  80          3HB       MET  80   2.394   7.133   4.188
  651   1HG   MET  80          2HG       MET  80   0.224   7.044   3.582
  652   2HG   MET  80          3HG       MET  80   0.508   7.516   1.911
  653   1HE   MET  80          1HE       MET  80  -1.676   5.752   1.787
  654   2HE   MET  80          2HE       MET  80  -1.488   4.008   2.087
  655   3HE   MET  80          3HE       MET  80  -1.396   5.149   3.439
  656    H    ALA  81           H        ALA  81   2.086  11.003   1.850
  657    HA   ALA  81           HA       ALA  81   0.882  12.240   4.002
  658   1HB   ALA  81          1HB       ALA  81   0.660  13.004   1.064
  659   2HB   ALA  81          2HB       ALA  81   0.451  14.107   2.440
  660   3HB   ALA  81          3HB       ALA  81   2.040  13.382   2.122
  661    H    PHE  82           H        PHE  82  -0.556  10.156   2.156
  662    HA   PHE  82           HA       PHE  82  -3.154  10.703   1.479
  663   1HB   PHE  82          2HB       PHE  82  -2.195   8.586   0.959
  664   2HB   PHE  82          3HB       PHE  82  -2.043   8.148   2.653
  665    HD1  PHE  82           HD1      PHE  82  -4.893   9.402   0.458
  666    HD2  PHE  82           HD2      PHE  82  -3.498   6.417   3.261
  667    HE1  PHE  82           HE1      PHE  82  -7.133   8.386   0.505
  668    HE2  PHE  82           HE2      PHE  82  -5.730   5.382   3.261
  669    HZ   PHE  82           HZ       PHE  82  -7.575   6.384   1.920
  670    H    GLY  83           H        GLY  83  -2.875   8.971   4.641
  671   1HA   GLY  83          1HA       GLY  83  -3.999  10.492   6.510
  672   2HA   GLY  83          2HA       GLY  83  -5.395  10.405   5.448
  673    H    GLY  84           H        GLY  84  -5.729   7.862   4.728
  674   1HA   GLY  84          1HA       GLY  84  -5.276   5.602   5.793
  675   2HA   GLY  84          2HA       GLY  84  -5.914   6.292   7.280
  676    H    LEU  85           H        LEU  85  -6.773   4.057   5.461
  677    HA   LEU  85           HA       LEU  85  -9.493   4.845   4.561
  678   1HB   LEU  85          2HB       LEU  85  -7.856   2.313   4.330
  679   2HB   LEU  85          3HB       LEU  85  -9.584   2.358   3.958
  680    HG   LEU  85           HG       LEU  85  -7.451   3.982   2.536
  681   1HD1  LEU  85          1HD1      LEU  85  -9.065   1.542   1.666
  682   2HD1  LEU  85          2HD1      LEU  85  -7.956   2.473   0.650
  683   3HD1  LEU  85          3HD1      LEU  85  -7.327   1.576   2.040
  684   1HD2  LEU  85          1HD2      LEU  85  -9.596   5.178   2.426
  685   2HD2  LEU  85          2HD2      LEU  85  -9.254   4.411   0.873
  686   3HD2  LEU  85          3HD2      LEU  85 -10.437   3.671   1.973
  687    H    LYS  86           H        LYS  86 -10.168   5.442   6.542
  688    HA   LYS  86           HA       LYS  86 -10.559   4.219   8.944
  689   1HB   LYS  86          2HB       LYS  86 -12.738   5.682   7.385
  690   2HB   LYS  86          3HB       LYS  86 -12.707   5.443   9.135
  691   1HG   LYS  86          2HG       LYS  86 -10.652   6.799   9.313
  692   2HG   LYS  86          3HG       LYS  86 -10.617   7.017   7.553
  693   1HD   LYS  86          2HD       LYS  86 -12.849   8.126   7.653
  694   2HD   LYS  86          3HD       LYS  86 -12.805   8.033   9.418
  695   1HE   LYS  86          2HE       LYS  86 -10.784   9.476   7.626
  696   2HE   LYS  86          3HE       LYS  86 -12.107  10.253   8.500
  697   1HZ   LYS  86          1HZ       LYS  86  -9.828   8.821   9.742
  698   2HZ   LYS  86          2HZ       LYS  86 -10.065  10.447   9.741
  699   3HZ   LYS  86          3HZ       LYS  86 -11.085   9.472  10.581
  700    H    LYS  87           H        LYS  87 -12.729   3.497   6.195
  701    HA   LYS  87           HA       LYS  87 -14.351   1.596   7.736
  702   1HB   LYS  87          2HB       LYS  87 -14.158   2.234   4.790
  703   2HB   LYS  87          3HB       LYS  87 -15.306   1.098   5.483
  704   1HG   LYS  87          2HG       LYS  87 -16.468   2.994   6.661
  705   2HG   LYS  87          3HG       LYS  87 -15.327   4.134   5.864
  706   1HD   LYS  87          2HD       LYS  87 -15.819   3.030   3.721
  707   2HD   LYS  87          3HD       LYS  87 -17.076   2.041   4.510
  708   1HE   LYS  87          2HE       LYS  87 -18.486   4.023   4.627
  709   2HE   LYS  87          3HE       LYS  87 -17.164   4.990   3.905
  710   1HZ   LYS  87          1HZ       LYS  87 -18.481   2.624   2.669
  711   2HZ   LYS  87          2HZ       LYS  87 -18.530   4.167   2.072
  712   3HZ   LYS  87          3HZ       LYS  87 -17.144   3.235   2.081
  713    H    GLU  88           H        GLU  88 -13.719  -0.399   8.148
  714    HA   GLU  88           HA       GLU  88 -11.616  -1.834   6.955
  715   1HB   GLU  88          2HB       GLU  88 -12.782  -2.179   9.158
  716   2HB   GLU  88          3HB       GLU  88 -14.048  -3.062   8.326
  717   1HG   GLU  88          2HG       GLU  88 -12.685  -4.898   7.869
  718   2HG   GLU  88          3HG       GLU  88 -11.216  -3.921   7.759
  719    H    LYS  89           H        LYS  89 -15.086  -2.085   6.095
  720    HA   LYS  89           HA       LYS  89 -14.852  -4.306   4.358
  721   1HB   LYS  89          2HB       LYS  89 -16.816  -2.016   4.026
  722   2HB   LYS  89          3HB       LYS  89 -16.984  -3.704   3.542
  723   1HG   LYS  89          2HG       LYS  89 -16.530  -4.108   6.140
  724   2HG   LYS  89          3HG       LYS  89 -17.181  -2.477   6.284
  725   1HD   LYS  89          2HD       LYS  89 -19.266  -3.216   5.140
  726   2HD   LYS  89          3HD       LYS  89 -18.587  -4.855   4.986
  727   1HE   LYS  89          2HE       LYS  89 -18.322  -4.928   7.493
  728   2HE   LYS  89          3HE       LYS  89 -19.126  -3.361   7.596
  729   1HZ   LYS  89          1HZ       LYS  89 -20.344  -5.852   6.524
  730   2HZ   LYS  89          2HZ       LYS  89 -20.687  -5.163   7.970
  731   3HZ   LYS  89          3HZ       LYS  89 -21.095  -4.390   6.579
  732    H    ASP  90           H        ASP  90 -14.761  -0.906   3.568
  733    HA   ASP  90           HA       ASP  90 -14.048  -1.043   0.852
  734   1HB   ASP  90          2HB       ASP  90 -13.471   1.065   2.971
  735   2HB   ASP  90          3HB       ASP  90 -13.423   1.302   1.249
  736    H    ARG  91           H        ARG  91 -11.944  -1.039   3.770
  737    HA   ARG  91           HA       ARG  91  -9.446  -1.230   2.267
  738   1HB   ARG  91          2HB       ARG  91 -10.066  -2.281   5.080
  739   2HB   ARG  91          3HB       ARG  91  -8.496  -2.371   4.289
  740   1HG   ARG  91          2HG       ARG  91  -8.693   0.174   3.983
  741   2HG   ARG  91          3HG       ARG  91  -9.957   0.108   5.210
  742   1HD   ARG  91          2HD       ARG  91  -7.038  -0.697   5.474
  743   2HD   ARG  91          3HD       ARG  91  -7.791   0.708   6.210
  744    HE   ARG  91           HE       ARG  91  -7.522  -1.794   7.394
  745   1HH1  ARG  91          1HH2      ARG  91  -9.910   0.727   7.382
  746   2HH1  ARG  91          2HH2      ARG  91 -10.604   0.135   8.870
  747   1HH2  ARG  91          1HH1      ARG  91  -8.504  -2.566   9.071
  748   2HH2  ARG  91          2HH1      ARG  91 -10.027  -2.021   9.618
  749    H    ASN  92           H        ASN  92 -11.629  -3.761   3.507
  750    HA   ASN  92           HA       ASN  92  -9.943  -5.922   2.767
  751   1HB   ASN  92          2HB       ASN  92 -12.943  -5.806   3.246
  752   2HB   ASN  92          3HB       ASN  92 -12.041  -7.316   2.986
  753   1HD2  ASN  92          2HD2      ASN  92 -13.254  -7.526   5.211
  754   2HD2  ASN  92          1HD2      ASN  92 -12.242  -6.985   6.592
  755    H    ASP  93           H        ASP  93 -12.560  -4.398   0.894
  756    HA   ASP  93           HA       ASP  93 -12.301  -5.909  -1.538
  757   1HB   ASP  93          2HB       ASP  93 -13.163  -3.092  -0.877
  758   2HB   ASP  93          3HB       ASP  93 -12.846  -3.523  -2.550
  759    H    LEU  94           H        LEU  94 -10.518  -2.924  -0.610
  760    HA   LEU  94           HA       LEU  94  -8.875  -2.823  -2.935
  761   1HB   LEU  94          2HB       LEU  94  -9.409  -1.086  -1.044
  762   2HB   LEU  94          3HB       LEU  94  -7.956  -1.708  -0.281
  763    HG   LEU  94           HG       LEU  94  -8.137  -0.556  -3.116
  764   1HD1  LEU  94          1HD1      LEU  94  -7.001   0.714  -0.601
  765   2HD1  LEU  94          2HD1      LEU  94  -7.146   1.450  -2.214
  766   3HD1  LEU  94          3HD1      LEU  94  -8.603   1.081  -1.292
  767   1HD2  LEU  94          1HD2      LEU  94  -6.150  -1.922  -3.052
  768   2HD2  LEU  94          2HD2      LEU  94  -5.624  -0.261  -2.840
  769   3HD2  LEU  94          3HD2      LEU  94  -5.715  -1.334  -1.427
  770    H    ILE  95           H        ILE  95  -8.205  -4.308   0.230
  771    HA   ILE  95           HA       ILE  95  -5.592  -5.353  -0.293
  772    HB   ILE  95           HB       ILE  95  -7.854  -6.374   1.461
  773   1HG1  ILE  95          2HG1      ILE  95  -5.245  -5.055   2.332
  774   2HG1  ILE  95          3HG1      ILE  95  -6.636  -4.081   1.887
  775   1HG2  ILE  95          1HG2      ILE  95  -4.944  -7.313   1.380
  776   2HG2  ILE  95          2HG2      ILE  95  -6.112  -7.750   2.636
  777   3HG2  ILE  95          3HG2      ILE  95  -6.376  -8.293   0.991
  778   1HD1  ILE  95          1HD1      ILE  95  -6.555  -6.100   4.155
  779   2HD1  ILE  95          2HD1      ILE  95  -6.644  -4.328   4.257
  780   3HD1  ILE  95          3HD1      ILE  95  -8.014  -5.241   3.619
  781    H    THR  96           H        THR  96  -8.792  -6.897  -0.804
  782    HA   THR  96           HA       THR  96  -7.873  -9.263  -2.048
  783    HB   THR  96           HB       THR  96 -10.458  -7.822  -2.772
  784    HG1  THR  96           1HG      THR  96 -10.344  -8.103  -0.535
  785   1HG2  THR  96          1HG2      THR  96  -9.664 -10.772  -2.759
  786   2HG2  THR  96          2HG2      THR  96 -11.280 -10.136  -3.109
  787   3HG2  THR  96          3HG2      THR  96  -9.944  -9.778  -4.212
  788    H    TYR  97           H        TYR  97  -8.532  -6.093  -3.568
  789    HA   TYR  97           HA       TYR  97  -7.809  -6.909  -6.267
  790   1HB   TYR  97          2HB       TYR  97  -8.993  -4.911  -6.097
  791   2HB   TYR  97          3HB       TYR  97  -7.937  -4.243  -4.867
  792    HD1  TYR  97           HD1      TYR  97  -6.205  -2.772  -5.451
  793    HD2  TYR  97           HD2      TYR  97  -7.836  -5.390  -8.464
  794    HE1  TYR  97           HE1      TYR  97  -4.852  -1.634  -7.184
  795    HE2  TYR  97           HE2      TYR  97  -6.552  -4.167 -10.218
  796    HH   TYR  97           HH       TYR  97  -4.282  -1.579  -9.383
  797    H    LEU  98           H        LEU  98  -5.856  -5.132  -3.815
  798    HA   LEU  98           HA       LEU  98  -3.591  -4.937  -5.484
  799   1HB   LEU  98          2HB       LEU  98  -4.318  -3.891  -3.063
  800   2HB   LEU  98          3HB       LEU  98  -3.206  -5.090  -2.494
  801    HG   LEU  98           HG       LEU  98  -1.544  -4.127  -4.311
  802   1HD1  LEU  98          1HD1      LEU  98  -3.451  -1.768  -3.929
  803   2HD1  LEU  98          2HD1      LEU  98  -1.896  -1.731  -4.782
  804   3HD1  LEU  98          3HD1      LEU  98  -3.232  -2.677  -5.438
  805   1HD2  LEU  98          1HD2      LEU  98  -1.195  -3.908  -1.890
  806   2HD2  LEU  98          2HD2      LEU  98  -0.735  -2.434  -2.731
  807   3HD2  LEU  98          3HD2      LEU  98  -2.277  -2.492  -1.848
  808    H    LYS  99           H        LYS  99  -4.406  -7.271  -3.095
  809    HA   LYS  99           HA       LYS  99  -2.091  -9.005  -3.260
  810   1HB   LYS  99          2HB       LYS  99  -3.969  -9.053  -1.538
  811   2HB   LYS  99          3HB       LYS  99  -4.937  -9.960  -2.690
  812   1HG   LYS  99          2HG       LYS  99  -2.149 -10.970  -2.078
  813   2HG   LYS  99          3HG       LYS  99  -3.311 -11.009  -0.765
  814   1HD   LYS  99          2HD       LYS  99  -3.230 -13.158  -1.854
  815   2HD   LYS  99          3HD       LYS  99  -4.833 -12.436  -2.054
  816   1HE   LYS  99          2HE       LYS  99  -4.287 -11.753  -4.338
  817   2HE   LYS  99          3HE       LYS  99  -2.603 -12.262  -4.134
  818   1HZ   LYS  99          1HZ       LYS  99  -4.936 -14.082  -4.247
  819   2HZ   LYS  99          2HZ       LYS  99  -3.706 -13.837  -5.371
  820   3HZ   LYS  99          3HZ       LYS  99  -3.377 -14.546  -3.980
  821    H    LYS 100           H        LYS 100  -5.140  -8.965  -5.162
  822    HA   LYS 100           HA       LYS 100  -4.161 -11.101  -6.875
  823   1HB   LYS 100          2HB       LYS 100  -6.564 -10.644  -6.046
  824   2HB   LYS 100          3HB       LYS 100  -6.715  -9.570  -7.411
  825   1HG   LYS 100          2HG       LYS 100  -7.616 -12.024  -7.612
  826   2HG   LYS 100          3HG       LYS 100  -6.690 -11.374  -8.975
  827   1HD   LYS 100          2HD       LYS 100  -4.756 -12.473  -8.357
  828   2HD   LYS 100          3HD       LYS 100  -5.378 -12.941  -6.748
  829   1HE   LYS 100          2HE       LYS 100  -6.655 -14.718  -7.760
  830   2HE   LYS 100          3HE       LYS 100  -6.213 -14.157  -9.388
  831   1HZ   LYS 100          1HZ       LYS 100  -4.151 -15.073  -7.368
  832   2HZ   LYS 100          2HZ       LYS 100  -4.653 -15.939  -8.675
  833   3HZ   LYS 100          3HZ       LYS 100  -3.873 -14.506  -8.793
  834    H    ALA 101           H        ALA 101  -3.522  -8.157  -6.841
  835    HA   ALA 101           HA       ALA 101  -2.610  -7.929  -9.691
  836   1HB   ALA 101          1HB       ALA 101  -2.520  -5.815  -7.502
  837   2HB   ALA 101          2HB       ALA 101  -2.141  -5.587  -9.218
  838   3HB   ALA 101          3HB       ALA 101  -3.801  -5.965  -8.726
  839    H    THR 102           H        THR 102  -1.504  -9.234  -6.852
  840    HA   THR 102           HA       THR 102   1.377  -8.879  -7.547
  841    HB   THR 102           HB       THR 102   0.249  -9.689  -4.848
  842    HG1  THR 102           1HG      THR 102  -0.125  -7.497  -5.372
  843   1HG2  THR 102          1HG2      THR 102   3.051  -9.002  -5.813
  844   2HG2  THR 102          2HG2      THR 102   2.594  -9.174  -4.099
  845   3HG2  THR 102          3HG2      THR 102   2.500 -10.569  -5.190
  846    H    GLU 103           H        GLU 103  -1.134 -11.279  -6.475
  847    HA   GLU 103           HA       GLU 103  -0.236 -12.945  -8.616
  848   1HB   GLU 103          2HB       GLU 103  -0.200 -15.008  -7.532
  849   2HB   GLU 103          3HB       GLU 103   1.007 -13.991  -6.778
  850   1HG   GLU 103          2HG       GLU 103   0.194 -15.082  -4.970
  851   2HG   GLU 103          3HG       GLU 103  -0.789 -13.635  -4.909
  852    HHA  HEC 104           HHA      HEC 104   5.210   3.174   1.125
  853    HHB  HEC 104           HHB      HEC 104  -0.510   0.385  -0.090
  854    HHC  HEC 104           HHC      HEC 104  -3.034   6.206  -1.363
  855    HHD  HEC 104           HHD      HEC 104   2.848   8.767  -1.080
  856   1HMA  HEC 104          1HMA      HEC 104   1.797  -1.223   1.731
  857   2HMA  HEC 104          2HMA      HEC 104   0.987  -1.198   0.148
  858   3HMA  HEC 104          3HMA      HEC 104   2.728  -1.457   0.237
  859   1HAA  HEC 104          1HAA      HEC 104   4.389  -0.510   1.682
  860   2HAA  HEC 104          2HAA      HEC 104   5.041   1.057   2.155
  861   1HBA  HEC 104          1HBA      HEC 104   5.897   1.356  -0.193
  862   2HBA  HEC 104          2HBA      HEC 104   5.256  -0.232  -0.602
  863   1HMB  HEC 104          1HMB      HEC 104  -2.841   0.198  -0.188
  864   2HMB  HEC 104          2HMB      HEC 104  -4.154   0.954  -1.090
  865   3HMB  HEC 104          3HMB      HEC 104  -2.681   0.457  -1.933
  866    HAB  HEC 104           HAB      HEC 104  -4.528   4.864  -1.408
  867   1HBB  HEC 104          1HBB      HEC 104  -4.982   3.996   0.800
  868   2HBB  HEC 104          2HBB      HEC 104  -6.356   3.823  -0.304
  869   3HBB  HEC 104          3HBB      HEC 104  -5.368   2.408   0.111
  870   1HMC  HEC 104          1HMC      HEC 104  -3.232   8.545  -1.354
  871   2HMC  HEC 104          2HMC      HEC 104  -2.319   9.818  -2.163
  872   3HMC  HEC 104          3HMC      HEC 104  -2.675   8.310  -3.022
  873    HAC  HEC 104           HAC      HEC 104   1.631   9.895  -2.349
  874   1HBC  HEC 104          1HBC      HEC 104   0.682  11.040  -0.434
  875   2HBC  HEC 104          2HBC      HEC 104   0.643  12.045  -1.897
  876   3HBC  HEC 104          3HBC      HEC 104  -0.846  11.280  -1.306
  877   1HMD  HEC 104          1HMD      HEC 104   5.055   9.103  -0.148
  878   2HMD  HEC 104          2HMD      HEC 104   6.525   8.128  -0.441
  879   3HMD  HEC 104          3HMD      HEC 104   5.263   8.256  -1.673
  880   1HAD  HEC 104          1HAD      HEC 104   7.295   6.236   0.361
  881   2HAD  HEC 104          2HAD      HEC 104   6.906   4.639   0.975
  882   1HBD  HEC 104          1HBD      HEC 104   6.323   5.463   3.121
  883   2HBD  HEC 104          2HBD      HEC 104   6.050   7.086   2.517
  Start of MODEL    2
    1   1H    THR  -5          H1        THR  -5 -11.755 -13.167  13.130
    2   2H    THR  -5          H2        THR  -5 -12.976 -12.673  14.137
    3   3H    THR  -5          H3        THR  -5 -11.395 -12.293  14.442
    4    HA   THR  -5           HA       THR  -5 -12.902 -11.331  12.108
    5    HB   THR  -5           HB       THR  -5 -12.584  -9.071  13.301
    6    HG1  THR  -5           1HG      THR  -5 -11.232  -9.683  14.942
    7   1HG2  THR  -5          1HG2      THR  -5 -14.448 -11.107  14.614
    8   2HG2  THR  -5          2HG2      THR  -5 -14.606  -9.343  14.635
    9   3HG2  THR  -5          3HG2      THR  -5 -14.792 -10.216  13.105
   10    H    GLU  -4           H        GLU  -4 -11.251 -11.925  10.761
   11    HA   GLU  -4           HA       GLU  -4  -8.588 -10.711  11.036
   12   1HB   GLU  -4          2HB       GLU  -4  -9.631 -13.084   9.411
   13   2HB   GLU  -4          3HB       GLU  -4  -7.959 -12.585   9.582
   14   1HG   GLU  -4          2HG       GLU  -4  -8.339 -14.530  10.919
   15   2HG   GLU  -4          3HG       GLU  -4  -8.006 -13.155  11.972
   16    H    PHE  -3           H        PHE  -3 -10.565 -11.763   8.240
   17    HA   PHE  -3           HA       PHE  -3 -10.297  -9.254   6.763
   18   1HB   PHE  -3          2HB       PHE  -3  -8.127 -10.250   6.326
   19   2HB   PHE  -3          3HB       PHE  -3  -8.837 -11.835   6.065
   20    HD1  PHE  -3           HD1      PHE  -3  -9.487  -8.387   4.616
   21    HD2  PHE  -3           HD2      PHE  -3  -8.505 -12.521   3.865
   22    HE1  PHE  -3           HE1      PHE  -3  -9.622  -7.982   2.188
   23    HE2  PHE  -3           HE2      PHE  -3  -8.541 -12.077   1.424
   24    HZ   PHE  -3           HZ       PHE  -3  -9.138  -9.815   0.576
   25    H    LYS  -2           H        LYS  -2 -11.752  -9.255   4.945
   26    HA   LYS  -2           HA       LYS  -2 -13.547 -11.614   4.605
   27   1HB   LYS  -2          2HB       LYS  -2 -14.462 -10.238   6.341
   28   2HB   LYS  -2          3HB       LYS  -2 -14.367  -8.792   5.355
   29   1HG   LYS  -2          2HG       LYS  -2 -16.633  -9.671   5.708
   30   2HG   LYS  -2          3HG       LYS  -2 -16.241  -9.436   4.031
   31   1HD   LYS  -2          2HD       LYS  -2 -16.138 -12.148   5.443
   32   2HD   LYS  -2          3HD       LYS  -2 -17.582 -11.513   4.668
   33   1HE   LYS  -2          2HE       LYS  -2 -14.979 -12.286   3.313
   34   2HE   LYS  -2          3HE       LYS  -2 -16.539 -13.088   3.168
   35   1HZ   LYS  -2          1HZ       LYS  -2 -15.929 -10.331   2.244
   36   2HZ   LYS  -2          2HZ       LYS  -2 -15.995 -11.602   1.273
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.383 -11.101   2.031
   38    H    ALA  -1           H        ALA  -1 -11.952 -11.555   2.815
   39    HA   ALA  -1           HA       ALA  -1 -11.621 -10.192   0.597
   40   1HB   ALA  -1          1HB       ALA  -1 -12.527 -13.099   0.570
   41   2HB   ALA  -1          2HB       ALA  -1 -11.575 -12.287  -0.686
   42   3HB   ALA  -1          3HB       ALA  -1 -10.885 -12.532   0.926
   43    H    GLY   1           H        GLY   1 -12.716  -9.016  -0.793
   44   1HA   GLY   1          1HA       GLY   1 -15.703  -9.335  -0.990
   45   2HA   GLY   1          2HA       GLY   1 -14.794  -7.851  -1.260
   46    H    SER   2           H        SER   2 -14.116  -7.357  -3.301
   47    HA   SER   2           HA       SER   2 -13.673  -9.595  -5.204
   48   1HB   SER   2          2HB       SER   2 -15.917  -8.763  -5.817
   49   2HB   SER   2          3HB       SER   2 -15.235  -7.134  -5.993
   50    HG   SER   2           HG       SER   2 -14.997  -9.351  -7.628
   51    H    ALA   3           H        ALA   3 -11.872  -9.367  -6.399
   52    HA   ALA   3           HA       ALA   3 -10.019  -7.244  -6.004
   53   1HB   ALA   3          1HB       ALA   3 -10.263  -9.220  -8.317
   54   2HB   ALA   3          2HB       ALA   3  -8.835  -8.238  -7.925
   55   3HB   ALA   3          3HB       ALA   3  -9.378  -9.489  -6.794
   56    H    LYS   4           H        LYS   4 -12.793  -7.458  -8.240
   57    HA   LYS   4           HA       LYS   4 -11.818  -5.110  -9.725
   58   1HB   LYS   4          2HB       LYS   4 -13.079  -6.965 -10.848
   59   2HB   LYS   4          3HB       LYS   4 -14.545  -6.415 -10.017
   60   1HG   LYS   4          2HG       LYS   4 -14.432  -4.253 -11.141
   61   2HG   LYS   4          3HG       LYS   4 -12.812  -4.603 -11.765
   62   1HD   LYS   4          2HD       LYS   4 -13.757  -6.443 -13.147
   63   2HD   LYS   4          3HD       LYS   4 -15.384  -6.021 -12.599
   64   1HE   LYS   4          2HE       LYS   4 -13.454  -4.144 -14.056
   65   2HE   LYS   4          3HE       LYS   4 -14.728  -5.069 -14.852
   66   1HZ   LYS   4          1HZ       LYS   4 -15.199  -3.015 -12.760
   67   2HZ   LYS   4          2HZ       LYS   4 -15.433  -2.794 -14.370
   68   3HZ   LYS   4          3HZ       LYS   4 -16.367  -3.859 -13.547
   69    H    LYS   5           H        LYS   5 -13.679  -5.566  -7.048
   70    HA   LYS   5           HA       LYS   5 -14.939  -2.854  -6.892
   71   1HB   LYS   5          2HB       LYS   5 -14.562  -5.088  -4.864
   72   2HB   LYS   5          3HB       LYS   5 -15.103  -3.494  -4.387
   73   1HG   LYS   5          2HG       LYS   5 -16.675  -4.535  -6.651
   74   2HG   LYS   5          3HG       LYS   5 -16.682  -5.654  -5.304
   75   1HD   LYS   5          2HD       LYS   5 -17.186  -2.893  -4.371
   76   2HD   LYS   5          3HD       LYS   5 -18.294  -3.381  -5.639
   77   1HE   LYS   5          2HE       LYS   5 -19.298  -3.952  -3.544
   78   2HE   LYS   5          3HE       LYS   5 -18.866  -5.443  -4.388
   79   1HZ   LYS   5          1HZ       LYS   5 -17.268  -4.238  -2.158
   80   2HZ   LYS   5          2HZ       LYS   5 -18.223  -5.561  -2.034
   81   3HZ   LYS   5          3HZ       LYS   5 -16.832  -5.528  -2.913
   82    H    GLY   6           H        GLY   6 -12.229  -4.543  -5.275
   83   1HA   GLY   6          1HA       GLY   6 -10.985  -2.285  -4.123
   84   2HA   GLY   6          2HA       GLY   6 -10.154  -3.758  -4.621
   85    H    ALA   7           H        ALA   7 -10.505  -3.618  -7.453
   86    HA   ALA   7           HA       ALA   7  -8.613  -1.779  -8.356
   87   1HB   ALA   7          1HB       ALA   7 -10.924  -2.886 -10.011
   88   2HB   ALA   7          2HB       ALA   7  -9.343  -2.335 -10.590
   89   3HB   ALA   7          3HB       ALA   7  -9.460  -3.803  -9.609
   90    H    THR   8           H        THR   8 -12.224  -1.390  -8.568
   91    HA   THR   8           HA       THR   8 -12.074   1.300  -9.606
   92    HB   THR   8           HB       THR   8 -14.480   1.460  -8.755
   93    HG1  THR   8           1HG      THR   8 -14.056  -0.453  -7.268
   94   1HG2  THR   8          1HG2      THR   8 -13.744  -0.826 -10.631
   95   2HG2  THR   8          2HG2      THR   8 -15.313   0.006 -10.537
   96   3HG2  THR   8          3HG2      THR   8 -13.879   0.893 -11.080
   97    H    LEU   9           H        LEU   9 -11.774   0.157  -6.313
   98    HA   LEU   9           HA       LEU   9 -12.175   2.791  -5.093
   99   1HB   LEU   9          2HB       LEU   9 -11.081   0.135  -4.127
  100   2HB   LEU   9          3HB       LEU   9 -10.835   1.591  -3.169
  101    HG   LEU   9           HG       LEU   9 -13.574   0.778  -4.128
  102   1HD1  LEU   9          1HD1      LEU   9 -12.192   0.023  -1.504
  103   2HD1  LEU   9          2HD1      LEU   9 -13.901  -0.274  -1.883
  104   3HD1  LEU   9          3HD1      LEU   9 -12.639  -1.096  -2.809
  105   1HD2  LEU   9          1HD2      LEU   9 -13.364   3.100  -3.261
  106   2HD2  LEU   9          2HD2      LEU   9 -14.325   2.101  -2.162
  107   3HD2  LEU   9          3HD2      LEU   9 -12.641   2.474  -1.761
  108    H    PHE  10           H        PHE  10  -9.368   0.692  -5.534
  109    HA   PHE  10           HA       PHE  10  -7.254   2.363  -4.904
  110   1HB   PHE  10          2HB       PHE  10  -7.013  -0.002  -5.395
  111   2HB   PHE  10          3HB       PHE  10  -7.432   0.254  -7.080
  112    HD1  PHE  10           HD1      PHE  10  -5.765   0.860  -8.694
  113    HD2  PHE  10           HD2      PHE  10  -4.823   0.923  -4.491
  114    HE1  PHE  10           HE1      PHE  10  -3.325   0.988  -9.207
  115    HE2  PHE  10           HE2      PHE  10  -2.435   1.260  -5.033
  116    HZ   PHE  10           HZ       PHE  10  -1.673   1.250  -7.394
  117    H    LYS  11           H        LYS  11  -8.874   2.193  -8.048
  118    HA   LYS  11           HA       LYS  11  -7.142   3.900  -9.536
  119   1HB   LYS  11          2HB       LYS  11  -9.252   2.395 -10.247
  120   2HB   LYS  11          3HB       LYS  11 -10.104   3.919 -10.092
  121   1HG   LYS  11          2HG       LYS  11  -9.517   4.012 -12.318
  122   2HG   LYS  11          3HG       LYS  11  -8.085   4.800 -11.648
  123   1HD   LYS  11          2HD       LYS  11  -7.026   2.434 -11.578
  124   2HD   LYS  11          3HD       LYS  11  -8.403   1.893 -12.526
  125   1HE   LYS  11          2HE       LYS  11  -6.283   3.934 -13.332
  126   2HE   LYS  11          3HE       LYS  11  -6.484   2.306 -13.971
  127   1HZ   LYS  11          1HZ       LYS  11  -8.306   4.605 -14.356
  128   2HZ   LYS  11          2HZ       LYS  11  -7.419   3.844 -15.504
  129   3HZ   LYS  11          3HZ       LYS  11  -8.697   3.067 -14.806
  130    H    THR  12           H        THR  12  -9.558   4.801  -7.209
  131    HA   THR  12           HA       THR  12  -9.062   7.710  -7.671
  132    HB   THR  12           HB       THR  12 -11.208   6.900  -8.646
  133    HG1  THR  12           1HG      THR  12 -12.325   8.673  -7.835
  134   1HG2  THR  12          1HG2      THR  12 -12.199   6.733  -5.776
  135   2HG2  THR  12          2HG2      THR  12 -13.127   6.499  -7.267
  136   3HG2  THR  12          3HG2      THR  12 -11.884   5.323  -6.811
  137    H    ARG  13           H        ARG  13  -7.956   5.715  -5.809
  138    HA   ARG  13           HA       ARG  13  -8.319   7.273  -3.257
  139   1HB   ARG  13          2HB       ARG  13  -8.039   4.257  -3.625
  140   2HB   ARG  13          3HB       ARG  13  -7.742   5.047  -2.090
  141   1HG   ARG  13          2HG       ARG  13 -10.429   5.184  -3.533
  142   2HG   ARG  13          3HG       ARG  13  -9.983   3.961  -2.334
  143   1HD   ARG  13          2HD       ARG  13  -9.426   5.946  -0.783
  144   2HD   ARG  13          3HD       ARG  13 -10.285   6.948  -1.940
  145    HE   ARG  13           HE       ARG  13 -11.495   4.672  -0.337
  146   1HH1  ARG  13          1HH2      ARG  13 -12.113   7.566  -2.188
  147   2HH1  ARG  13          2HH2      ARG  13 -13.691   7.778  -1.489
  148   1HH2  ARG  13          1HH1      ARG  13 -13.472   4.856   0.373
  149   2HH2  ARG  13          2HH1      ARG  13 -14.493   6.210  -0.088
  150    H    CYS  14           H        CYS  14  -6.194   4.977  -4.927
  151    HA   CYS  14           HA       CYS  14  -3.846   6.003  -3.423
  152   1HB   CYS  14          2HB       CYS  14  -4.118   3.396  -4.863
  153   2HB   CYS  14          3HB       CYS  14  -3.045   3.767  -3.527
  154    H    LEU  15           H        LEU  15  -4.994   5.071  -6.687
  155    HA   LEU  15           HA       LEU  15  -2.587   4.934  -8.000
  156   1HB   LEU  15          2HB       LEU  15  -4.917   4.293  -8.795
  157   2HB   LEU  15          3HB       LEU  15  -5.161   5.994  -9.199
  158    HG   LEU  15           HG       LEU  15  -3.001   5.741 -10.672
  159   1HD1  LEU  15          1HD1      LEU  15  -3.791   2.812 -10.462
  160   2HD1  LEU  15          2HD1      LEU  15  -2.504   3.516 -11.466
  161   3HD1  LEU  15          3HD1      LEU  15  -2.340   3.500  -9.706
  162   1HD2  LEU  15          1HD2      LEU  15  -5.245   5.991 -11.595
  163   2HD2  LEU  15          2HD2      LEU  15  -4.283   4.831 -12.536
  164   3HD2  LEU  15          3HD2      LEU  15  -5.522   4.249 -11.387
  165    H    GLN  16           H        GLN  16  -4.207   7.903  -7.081
  166    HA   GLN  16           HA       GLN  16  -2.788   9.770  -8.678
  167   1HB   GLN  16          2HB       GLN  16  -3.269  11.394  -6.946
  168   2HB   GLN  16          3HB       GLN  16  -4.674  10.397  -7.309
  169   1HG   GLN  16          2HG       GLN  16  -4.182   9.023  -5.248
  170   2HG   GLN  16          3HG       GLN  16  -2.862  10.144  -4.871
  171   1HE2  GLN  16          2HE2      GLN  16  -5.509   9.528  -3.382
  172   2HE2  GLN  16          1HE2      GLN  16  -6.154  11.183  -3.278
  173    H    CYS  17           H        CYS  17  -1.595   7.853  -5.961
  174    HA   CYS  17           HA       CYS  17   1.066   9.195  -6.185
  175   1HB   CYS  17          2HB       CYS  17  -0.145   7.748  -3.836
  176   2HB   CYS  17          3HB       CYS  17   1.433   8.499  -3.871
  177    H    HIS  18           H        HIS  18  -0.479   6.237  -6.851
  178    HA   HIS  18           HA       HIS  18   2.073   4.671  -6.754
  179   1HB   HIS  18          1HB       HIS  18  -0.665   4.013  -5.583
  180   2HB   HIS  18          2HB       HIS  18   0.534   2.774  -5.906
  181    HD1  HIS  18           HD1      HIS  18   3.129   3.602  -4.768
  182    HD2  HIS  18           HD2      HIS  18  -0.594   4.581  -3.058
  183    HE1  HIS  18           HE1      HIS  18   3.540   3.974  -2.273
  184    H    THR  19           H        THR  19   1.811   2.481  -7.719
  185    HA   THR  19           HA       THR  19   0.148   2.303 -10.184
  186    HB   THR  19           HB       THR  19   2.153   1.367 -11.251
  187    HG1  THR  19           1HG      THR  19   4.184   1.895 -10.120
  188   1HG2  THR  19          1HG2      THR  19   2.643   4.218 -10.309
  189   2HG2  THR  19          2HG2      THR  19   3.226   3.445 -11.792
  190   3HG2  THR  19          3HG2      THR  19   1.494   3.770 -11.593
  191    H    VAL  20           H        VAL  20   0.139   0.106 -11.046
  192    HA   VAL  20           HA       VAL  20   0.277  -2.006  -8.929
  193    HB   VAL  20           HB       VAL  20  -1.945  -0.935  -9.457
  194   1HG1  VAL  20          1HG1      VAL  20  -1.895  -2.636 -11.963
  195   2HG1  VAL  20          2HG1      VAL  20  -3.226  -1.641 -11.364
  196   3HG1  VAL  20          3HG1      VAL  20  -1.759  -0.860 -11.924
  197   1HG2  VAL  20          1HG2      VAL  20  -1.789  -2.985  -8.213
  198   2HG2  VAL  20          2HG2      VAL  20  -3.185  -3.056  -9.284
  199   3HG2  VAL  20          3HG2      VAL  20  -1.727  -3.951  -9.712
  200    H    GLU  21           H        GLU  21   1.327  -1.185 -12.001
  201    HA   GLU  21           HA       GLU  21   1.482  -3.999 -12.933
  202   1HB   GLU  21          2HB       GLU  21   1.910  -1.533 -14.594
  203   2HB   GLU  21          3HB       GLU  21   1.698  -3.190 -15.149
  204   1HG   GLU  21          2HG       GLU  21  -0.594  -3.257 -14.180
  205   2HG   GLU  21          3HG       GLU  21  -0.411  -1.589 -13.629
  206    H    LYS  22           H        LYS  22   3.357  -4.648 -14.229
  207    HA   LYS  22           HA       LYS  22   5.230  -4.875 -12.076
  208   1HB   LYS  22          2HB       LYS  22   4.069  -6.646 -13.483
  209   2HB   LYS  22          3HB       LYS  22   5.236  -6.320 -14.764
  210   1HG   LYS  22          2HG       LYS  22   7.084  -7.012 -13.287
  211   2HG   LYS  22          3HG       LYS  22   5.975  -7.143 -11.915
  212   1HD   LYS  22          2HD       LYS  22   4.639  -8.843 -13.408
  213   2HD   LYS  22          3HD       LYS  22   6.057  -8.805 -14.440
  214   1HE   LYS  22          2HE       LYS  22   6.539 -10.644 -13.034
  215   2HE   LYS  22          3HE       LYS  22   7.358  -9.328 -12.177
  216   1HZ   LYS  22          1HZ       LYS  22   4.722 -10.546 -11.536
  217   2HZ   LYS  22          2HZ       LYS  22   6.032 -10.454 -10.545
  218   3HZ   LYS  22          3HZ       LYS  22   5.132  -9.122 -10.928
  219    H    GLY  23           H        GLY  23   6.749  -3.286 -11.848
  220   1HA   GLY  23          1HA       GLY  23   8.797  -2.200 -12.327
  221   2HA   GLY  23          2HA       GLY  23   8.804  -2.886 -13.954
  222    H    GLY  24           H        GLY  24   5.858  -1.391 -12.799
  223   1HA   GLY  24          1HA       GLY  24   5.739   0.575 -14.854
  224   2HA   GLY  24          2HA       GLY  24   4.710   0.479 -13.415
  225    HA   PRO  25           HA       PRO  25   7.640   4.171 -13.382
  226   1HB   PRO  25          2HB       PRO  25   5.851   6.238 -13.602
  227   2HB   PRO  25          3HB       PRO  25   6.529   5.353 -15.002
  228   1HG   PRO  25          2HG       PRO  25   3.861   4.904 -13.632
  229   2HG   PRO  25          3HG       PRO  25   4.196   5.047 -15.387
  230   1HD   PRO  25          2HD       PRO  25   3.952   2.623 -14.158
  231   2HD   PRO  25          3HD       PRO  25   5.124   2.883 -15.484
  232    H    HIS  26           H        HIS  26   8.255   3.907 -11.322
  233    HA   HIS  26           HA       HIS  26   6.950   4.458  -8.890
  234   1HB   HIS  26          2HB       HIS  26   9.700   5.343  -9.867
  235   2HB   HIS  26          3HB       HIS  26   9.126   5.412  -8.200
  236    HD1  HIS  26           HD1      HIS  26   7.810   2.221  -8.884
  237    HD2  HIS  26           HD2      HIS  26  11.719   3.783  -8.788
  238    HE1  HIS  26           HE1      HIS  26   9.358   0.323  -8.145
  239    H    LYS  27           H        LYS  27   6.047   6.164  -8.030
  240    HA   LYS  27           HA       LYS  27   5.927   8.724  -9.586
  241   1HB   LYS  27          2HB       LYS  27   4.048   6.922  -9.723
  242   2HB   LYS  27          3HB       LYS  27   3.608   7.412  -8.100
  243   1HG   LYS  27          2HG       LYS  27   3.195   9.746  -8.998
  244   2HG   LYS  27          3HG       LYS  27   3.682   9.171 -10.603
  245   1HD   LYS  27          2HD       LYS  27   1.853   7.415 -10.442
  246   2HD   LYS  27          3HD       LYS  27   1.291   8.189  -8.962
  247   1HE   LYS  27          2HE       LYS  27   1.459   9.474 -11.728
  248   2HE   LYS  27          3HE       LYS  27  -0.002   8.824 -10.969
  249   1HZ   LYS  27          1HZ       LYS  27   1.562  11.125  -9.940
  250   2HZ   LYS  27          2HZ       LYS  27   0.077  11.195 -10.652
  251   3HZ   LYS  27          3HZ       LYS  27   0.256  10.470  -9.198
  252    H    VAL  28           H        VAL  28   3.957   9.416  -7.300
  253    HA   VAL  28           HA       VAL  28   5.598  10.909  -5.497
  254    HB   VAL  28           HB       VAL  28   2.871   9.685  -4.993
  255   1HG1  VAL  28          1HG1      VAL  28   4.235  12.067  -3.675
  256   2HG1  VAL  28          2HG1      VAL  28   2.556  11.558  -3.400
  257   3HG1  VAL  28          3HG1      VAL  28   3.880  10.506  -2.906
  258   1HG2  VAL  28          1HG2      VAL  28   2.789  11.113  -7.016
  259   2HG2  VAL  28          2HG2      VAL  28   1.923  11.855  -5.674
  260   3HG2  VAL  28          3HG2      VAL  28   3.545  12.437  -6.103
  261    H    GLY  29           H        GLY  29   4.249   7.591  -5.288
  262   1HA   GLY  29          1HA       GLY  29   6.373   6.855  -3.328
  263   2HA   GLY  29          2HA       GLY  29   4.737   6.179  -3.310
  264    HA   PRO  30           HA       PRO  30   7.653   3.528  -5.903
  265   1HB   PRO  30          2HB       PRO  30   7.579   1.253  -4.409
  266   2HB   PRO  30          3HB       PRO  30   8.610   2.646  -3.959
  267   1HG   PRO  30          2HG       PRO  30   5.827   1.958  -2.937
  268   2HG   PRO  30          3HG       PRO  30   7.297   2.300  -1.973
  269   1HD   PRO  30          2HD       PRO  30   5.494   4.235  -2.492
  270   2HD   PRO  30          3HD       PRO  30   7.223   4.602  -2.481
  271    H    ASN  31           H        ASN  31   7.162   1.112  -6.665
  272    HA   ASN  31           HA       ASN  31   4.474   0.869  -7.708
  273   1HB   ASN  31          2HB       ASN  31   6.978  -0.897  -7.630
  274   2HB   ASN  31          3HB       ASN  31   5.500  -1.328  -8.469
  275   1HD2  ASN  31          2HD2      ASN  31   8.078  -1.060  -9.832
  276   2HD2  ASN  31          1HD2      ASN  31   7.790   0.340 -10.892
  277    H    LEU  32           H        LEU  32   2.973  -0.800  -7.126
  278    HA   LEU  32           HA       LEU  32   3.399  -2.087  -4.476
  279   1HB   LEU  32          2HB       LEU  32   0.813  -1.084  -5.689
  280   2HB   LEU  32          3HB       LEU  32   1.003  -1.909  -4.156
  281    HG   LEU  32           HG       LEU  32   2.106   0.852  -4.806
  282   1HD1  LEU  32          1HD1      LEU  32  -0.198  -0.067  -3.035
  283   2HD1  LEU  32          2HD1      LEU  32   0.394   1.594  -3.158
  284   3HD1  LEU  32          3HD1      LEU  32  -0.315   0.802  -4.581
  285   1HD2  LEU  32          1HD2      LEU  32   3.556  -0.228  -3.139
  286   2HD2  LEU  32          2HD2      LEU  32   2.567   1.003  -2.358
  287   3HD2  LEU  32          3HD2      LEU  32   2.140  -0.716  -2.189
  288    H    HIS  33           H        HIS  33   4.281  -3.274  -6.839
  289    HA   HIS  33           HA       HIS  33   2.424  -5.613  -7.278
  290   1HB   HIS  33          2HB       HIS  33   2.793  -4.068  -9.223
  291   2HB   HIS  33          3HB       HIS  33   4.514  -4.397  -9.153
  292    HD1  HIS  33           HD1      HIS  33   1.443  -5.586 -10.700
  293    HD2  HIS  33           HD2      HIS  33   5.072  -7.270  -9.452
  294    HE1  HIS  33           HE1      HIS  33   1.637  -7.868 -11.903
  295    H    GLY  34           H        GLY  34   3.228  -7.003  -5.639
  296   1HA   GLY  34          1HA       GLY  34   4.788  -8.772  -5.145
  297   2HA   GLY  34          2HA       GLY  34   6.083  -7.882  -5.913
  298    H    ILE  35           H        ILE  35   4.228  -5.922  -3.789
  299    HA   ILE  35           HA       ILE  35   6.418  -5.714  -1.903
  300    HB   ILE  35           HB       ILE  35   5.199  -4.097  -0.725
  301   1HG1  ILE  35          2HG1      ILE  35   2.990  -4.992  -0.498
  302   2HG1  ILE  35          3HG1      ILE  35   2.932  -3.372  -1.165
  303   1HG2  ILE  35          1HG2      ILE  35   4.763  -3.723  -3.712
  304   2HG2  ILE  35          2HG2      ILE  35   4.802  -2.440  -2.479
  305   3HG2  ILE  35          3HG2      ILE  35   6.241  -3.403  -2.797
  306   1HD1  ILE  35          1HD1      ILE  35   2.449  -5.959  -2.699
  307   2HD1  ILE  35          2HD1      ILE  35   1.264  -4.725  -2.264
  308   3HD1  ILE  35          3HD1      ILE  35   2.528  -4.345  -3.435
  309    H    PHE  36           H        PHE  36   3.498  -7.696  -1.850
  310    HA   PHE  36           HA       PHE  36   3.375  -8.228   0.931
  311   1HB   PHE  36          2HB       PHE  36   2.331  -9.689  -1.513
  312   2HB   PHE  36          3HB       PHE  36   2.124 -10.301   0.115
  313    HD1  PHE  36           HD1      PHE  36   0.754  -9.095   1.811
  314    HD2  PHE  36           HD2      PHE  36   0.968  -7.803  -2.298
  315    HE1  PHE  36           HE1      PHE  36  -1.242  -7.677   2.148
  316    HE2  PHE  36           HE2      PHE  36  -1.011  -6.366  -1.945
  317    HZ   PHE  36           HZ       PHE  36  -2.157  -6.327   0.271
  318    H    GLY  37           H        GLY  37   4.435  -9.514   2.126
  319   1HA   GLY  37          1HA       GLY  37   6.027 -11.071   2.918
  320   2HA   GLY  37          2HA       GLY  37   6.155 -11.744   1.292
  321    H    ARG  38           H        ARG  38   6.704  -8.520   0.827
  322    HA   ARG  38           HA       ARG  38   9.641  -8.664   1.206
  323   1HB   ARG  38          2HB       ARG  38   8.292  -7.464  -0.776
  324   2HB   ARG  38          3HB       ARG  38   8.158  -6.152   0.378
  325   1HG   ARG  38          2HG       ARG  38  10.033  -5.648  -0.931
  326   2HG   ARG  38          3HG       ARG  38  10.715  -6.245   0.578
  327   1HD   ARG  38          2HD       ARG  38  10.643  -8.590  -0.709
  328   2HD   ARG  38          3HD       ARG  38  10.555  -7.545  -2.130
  329    HE   ARG  38           HE       ARG  38  12.688  -6.547  -0.575
  330   1HH1  ARG  38          1HH2      ARG  38  12.139  -9.578  -2.194
  331   2HH1  ARG  38          2HH2      ARG  38  13.820 -10.036  -2.117
  332   1HH2  ARG  38          1HH1      ARG  38  14.694  -7.079  -0.520
  333   2HH2  ARG  38          2HH1      ARG  38  15.317  -8.554  -1.249
  334    H    HIS  39           H        HIS  39  10.549  -6.802   2.277
  335    HA   HIS  39           HA       HIS  39   9.172  -5.996   4.812
  336   1HB   HIS  39          2HB       HIS  39  12.077  -5.689   3.941
  337   2HB   HIS  39          3HB       HIS  39  11.385  -5.034   5.428
  338    HD1  HIS  39           HD1      HIS  39  12.385  -8.404   3.886
  339    HD2  HIS  39           HD2      HIS  39  10.758  -6.748   7.391
  340    HE1  HIS  39           HE1      HIS  39  12.350 -10.286   5.636
  341    H    SER  40           H        SER  40   8.582  -3.874   5.034
  342    HA   SER  40           HA       SER  40   8.185  -2.223   2.851
  343   1HB   SER  40          2HB       SER  40   7.489  -0.556   4.353
  344   2HB   SER  40          3HB       SER  40   7.125  -2.081   5.150
  345    HG   SER  40           HG       SER  40   8.738  -0.039   5.882
  346    H    GLY  41           H        GLY  41   9.042  -0.362   2.084
  347   1HA   GLY  41          1HA       GLY  41  10.796   1.128   1.500
  348   2HA   GLY  41          2HA       GLY  41  11.743   0.530   2.828
  349    H    GLN  42           H        GLN  42  10.582  -1.358  -0.048
  350    HA   GLN  42           HA       GLN  42  13.419  -1.677  -0.908
  351   1HB   GLN  42          2HB       GLN  42  11.596  -3.971  -0.105
  352   2HB   GLN  42          3HB       GLN  42  13.126  -4.156  -0.974
  353   1HG   GLN  42          2HG       GLN  42  14.199  -2.806   0.935
  354   2HG   GLN  42          3HG       GLN  42  12.715  -3.134   1.839
  355   1HE2  GLN  42          2HE2      GLN  42  14.269  -4.154   3.321
  356   2HE2  GLN  42          1HE2      GLN  42  14.780  -5.808   2.997
  357    H    ALA  43           H        ALA  43  10.967  -0.457  -2.349
  358    HA   ALA  43           HA       ALA  43  10.672  -2.024  -4.742
  359   1HB   ALA  43          1HB       ALA  43  10.438   0.966  -4.252
  360   2HB   ALA  43          2HB       ALA  43   9.865   0.105  -5.700
  361   3HB   ALA  43          3HB       ALA  43   9.147  -0.269  -4.133
  362    H    GLU  44           H        GLU  44  11.271  -1.084  -6.851
  363    HA   GLU  44           HA       GLU  44  13.843  -1.941  -7.359
  364   1HB   GLU  44          2HB       GLU  44  12.019  -0.471  -9.301
  365   2HB   GLU  44          3HB       GLU  44  13.353  -1.544  -9.680
  366   1HG   GLU  44          2HG       GLU  44  11.701  -3.029  -9.972
  367   2HG   GLU  44          3HG       GLU  44  11.969  -3.318  -8.259
  368    H    GLY  45           H        GLY  45  14.912  -0.236  -5.846
  369   1HA   GLY  45          1HA       GLY  45  17.002   0.930  -5.980
  370   2HA   GLY  45          2HA       GLY  45  16.644   1.409  -7.638
  371    H    TYR  46           H        TYR  46  13.983   1.982  -5.748
  372    HA   TYR  46           HA       TYR  46  14.259   4.898  -5.800
  373   1HB   TYR  46          2HB       TYR  46  12.318   3.542  -6.556
  374   2HB   TYR  46          3HB       TYR  46  11.986   3.103  -4.903
  375    HD1  TYR  46           HD1      TYR  46  11.575   5.623  -7.499
  376    HD2  TYR  46           HD2      TYR  46  11.491   4.975  -3.258
  377    HE1  TYR  46           HE1      TYR  46   9.979   7.518  -7.262
  378    HE2  TYR  46           HE2      TYR  46   9.866   6.851  -2.994
  379    HH   TYR  46           HH       TYR  46   8.367   8.407  -5.849
  380    H    SER  47           H        SER  47  14.762   6.215  -4.144
  381    HA   SER  47           HA       SER  47  15.377   5.202  -1.509
  382   1HB   SER  47          2HB       SER  47  15.147   8.062  -2.514
  383   2HB   SER  47          3HB       SER  47  15.826   7.553  -0.952
  384    HG   SER  47           HG       SER  47  17.524   7.739  -2.395
  385    H    TYR  48           H        TYR  48  14.168   5.084   0.249
  386    HA   TYR  48           HA       TYR  48  11.393   6.163   0.316
  387   1HB   TYR  48          2HB       TYR  48  12.883   3.942   1.766
  388   2HB   TYR  48          3HB       TYR  48  11.349   4.553   2.349
  389    HD1  TYR  48           HD1      TYR  48   9.350   3.805   1.527
  390    HD2  TYR  48           HD2      TYR  48  12.941   2.984  -0.694
  391    HE1  TYR  48           HE1      TYR  48   8.134   2.076   0.202
  392    HE2  TYR  48           HE2      TYR  48  11.718   1.350  -2.076
  393    HH   TYR  48           HH       TYR  48   8.590   0.087  -1.086
  394    H    THR  49           H        THR  49  10.628   6.807   2.526
  395    HA   THR  49           HA       THR  49  12.440   8.702   3.851
  396    HB   THR  49           HB       THR  49  10.662   8.840   5.614
  397    HG1  THR  49           1HG      THR  49   9.282   7.096   3.838
  398   1HG2  THR  49          1HG2      THR  49   9.984   9.434   2.726
  399   2HG2  THR  49          2HG2      THR  49   9.103  10.095   4.142
  400   3HG2  THR  49          3HG2      THR  49  10.806  10.481   3.891
  401    H    ASP  50           H        ASP  50  13.698   8.419   5.559
  402    HA   ASP  50           HA       ASP  50  14.542   5.936   6.457
  403   1HB   ASP  50          2HB       ASP  50  15.749   8.049   6.798
  404   2HB   ASP  50          3HB       ASP  50  14.562   8.534   8.023
  405    H    ALA  51           H        ALA  51  11.847   7.827   7.858
  406    HA   ALA  51           HA       ALA  51  11.274   6.227  10.102
  407   1HB   ALA  51          1HB       ALA  51   9.340   7.694   8.252
  408   2HB   ALA  51          2HB       ALA  51   9.008   7.172   9.917
  409   3HB   ALA  51          3HB       ALA  51  10.229   8.413   9.614
  410    H    ASN  52           H        ASN  52  10.343   5.621   6.679
  411    HA   ASN  52           HA       ASN  52   8.695   3.293   7.284
  412   1HB   ASN  52          2HB       ASN  52   8.500   4.758   5.241
  413   2HB   ASN  52          3HB       ASN  52  10.051   4.135   4.678
  414   1HD2  ASN  52          2HD2      ASN  52   7.896   3.853   3.043
  415   2HD2  ASN  52          1HD2      ASN  52   7.450   2.119   3.038
  416    H    ILE  53           H        ILE  53  12.047   3.783   6.224
  417    HA   ILE  53           HA       ILE  53  12.838   1.046   6.082
  418    HB   ILE  53           HB       ILE  53  14.418   3.515   6.744
  419   1HG1  ILE  53          2HG1      ILE  53  14.142   2.055   4.057
  420   2HG1  ILE  53          3HG1      ILE  53  13.186   3.461   4.487
  421   1HG2  ILE  53          1HG2      ILE  53  15.432   0.788   5.815
  422   2HG2  ILE  53          2HG2      ILE  53  16.442   2.243   5.967
  423   3HG2  ILE  53          3HG2      ILE  53  15.725   1.531   7.400
  424   1HD1  ILE  53          1HD1      ILE  53  16.197   3.425   4.088
  425   2HD1  ILE  53          2HD1      ILE  53  14.970   4.189   3.071
  426   3HD1  ILE  53          3HD1      ILE  53  15.275   4.820   4.696
  427    H    LYS  54           H        LYS  54  13.142   3.348   8.851
  428    HA   LYS  54           HA       LYS  54  14.179   1.468  10.740
  429   1HB   LYS  54          2HB       LYS  54  12.525   3.993  11.097
  430   2HB   LYS  54          3HB       LYS  54  13.308   3.140  12.434
  431   1HG   LYS  54          2HG       LYS  54  14.840   4.148  10.009
  432   2HG   LYS  54          3HG       LYS  54  14.536   5.121  11.431
  433   1HD   LYS  54          2HD       LYS  54  16.010   3.900  12.771
  434   2HD   LYS  54          3HD       LYS  54  15.828   2.421  11.817
  435   1HE   LYS  54          2HE       LYS  54  18.050   3.405  11.400
  436   2HE   LYS  54          3HE       LYS  54  17.039   3.369   9.947
  437   1HZ   LYS  54          1HZ       LYS  54  17.877   5.752  11.444
  438   2HZ   LYS  54          2HZ       LYS  54  17.661   5.509   9.794
  439   3HZ   LYS  54          3HZ       LYS  54  16.421   5.764  10.666
  440    H    LYS  55           H        LYS  55  11.226   1.424   9.305
  441    HA   LYS  55           HA       LYS  55   9.910  -0.052  11.564
  442   1HB   LYS  55          2HB       LYS  55   8.658   1.710  10.030
  443   2HB   LYS  55          3HB       LYS  55   8.588   0.381   8.874
  444   1HG   LYS  55          2HG       LYS  55   6.540   0.308  10.042
  445   2HG   LYS  55          3HG       LYS  55   7.491  -1.022  10.701
  446   1HD   LYS  55          2HD       LYS  55   8.141   0.500  12.630
  447   2HD   LYS  55          3HD       LYS  55   7.035   1.716  11.988
  448   1HE   LYS  55          2HE       LYS  55   6.227  -1.127  12.769
  449   2HE   LYS  55          3HE       LYS  55   6.165   0.249  13.876
  450   1HZ   LYS  55          1HZ       LYS  55   4.630   0.039  11.349
  451   2HZ   LYS  55          2HZ       LYS  55   4.006  -0.107  12.840
  452   3HZ   LYS  55          3HZ       LYS  55   4.612   1.340  12.345
  453    H    ASN  56           H        ASN  56  11.272  -0.607   8.392
  454    HA   ASN  56           HA       ASN  56  10.875  -2.346   6.878
  455   1HB   ASN  56          2HB       ASN  56  12.779  -3.311   9.020
  456   2HB   ASN  56          3HB       ASN  56  12.412  -4.316   7.631
  457   1HD2  ASN  56          2HD2      ASN  56  12.312  -1.998   5.564
  458   2HD2  ASN  56          1HD2      ASN  56  14.018  -1.596   5.588
  459    H    VAL  57           H        VAL  57   8.582  -2.325   7.443
  460    HA   VAL  57           HA       VAL  57   7.678  -4.588   9.089
  461    HB   VAL  57           HB       VAL  57   6.583  -2.081   8.475
  462   1HG1  VAL  57          1HG1      VAL  57   4.723  -4.216   7.382
  463   2HG1  VAL  57          2HG1      VAL  57   4.299  -2.538   7.753
  464   3HG1  VAL  57          3HG1      VAL  57   5.460  -2.883   6.470
  465   1HG2  VAL  57          1HG2      VAL  57   6.500  -3.249  10.602
  466   2HG2  VAL  57          2HG2      VAL  57   4.861  -2.796  10.091
  467   3HG2  VAL  57          3HG2      VAL  57   5.412  -4.469   9.919
  468    H    LEU  58           H        LEU  58   7.398  -6.527   8.467
  469    HA   LEU  58           HA       LEU  58   7.547  -7.304   5.682
  470   1HB   LEU  58          2HB       LEU  58   8.332  -8.657   7.638
  471   2HB   LEU  58          3HB       LEU  58   6.648  -9.031   8.015
  472    HG   LEU  58           HG       LEU  58   7.787  -9.550   5.230
  473   1HD1  LEU  58          1HD1      LEU  58   7.995 -11.404   7.627
  474   2HD1  LEU  58          2HD1      LEU  58   8.407 -11.816   5.946
  475   3HD1  LEU  58          3HD1      LEU  58   9.351 -10.587   6.808
  476   1HD2  LEU  58          1HD2      LEU  58   5.348  -9.878   5.455
  477   2HD2  LEU  58          2HD2      LEU  58   6.138 -11.444   5.286
  478   3HD2  LEU  58          3HD2      LEU  58   5.587 -10.894   6.877
  479    H    TRP  59           H        TRP  59   6.022  -6.747   4.362
  480    HA   TRP  59           HA       TRP  59   3.343  -6.120   5.104
  481   1HB   TRP  59          2HB       TRP  59   4.580  -6.619   2.390
  482   2HB   TRP  59          3HB       TRP  59   2.946  -6.003   2.609
  483    HD1  TRP  59           HD1      TRP  59   6.078  -4.696   1.664
  484    HE1  TRP  59           HE1      TRP  59   6.308  -2.134   2.217
  485    HE3  TRP  59           HE3      TRP  59   2.299  -4.206   5.074
  486    HZ2  TRP  59           HZ2      TRP  59   5.226  -0.312   3.994
  487    HZ3  TRP  59           HZ3      TRP  59   1.879  -2.057   6.174
  488    HH2  TRP  59           HH2      TRP  59   3.337  -0.066   5.686
  489    H    ASP  60           H        ASP  60   2.665  -7.944   6.235
  490    HA   ASP  60           HA       ASP  60   1.433 -10.170   4.712
  491   1HB   ASP  60          2HB       ASP  60   0.439  -9.141   7.364
  492   2HB   ASP  60          3HB       ASP  60   0.332 -10.766   6.713
  493    H    GLU  61           H        GLU  61  -0.916 -10.350   4.440
  494    HA   GLU  61           HA       GLU  61  -2.575  -8.195   3.803
  495   1HB   GLU  61          2HB       GLU  61  -3.309 -10.866   5.082
  496   2HB   GLU  61          3HB       GLU  61  -4.476  -9.684   4.507
  497   1HG   GLU  61          2HG       GLU  61  -4.420 -10.969   2.660
  498   2HG   GLU  61          3HG       GLU  61  -3.147  -9.848   2.224
  499    H    ASN  62           H        ASN  62  -2.241  -9.589   7.152
  500    HA   ASN  62           HA       ASN  62  -3.950  -7.664   8.399
  501   1HB   ASN  62          2HB       ASN  62  -2.693  -8.411  10.468
  502   2HB   ASN  62          3HB       ASN  62  -3.479  -9.687   9.545
  503   1HD2  ASN  62          2HD2      ASN  62  -0.249  -8.379  10.486
  504   2HD2  ASN  62          1HD2      ASN  62   0.600  -9.691   9.681
  505    H    ASN  63           H        ASN  63  -0.412  -7.672   7.914
  506    HA   ASN  63           HA       ASN  63   0.159  -5.391   9.509
  507   1HB   ASN  63          2HB       ASN  63   1.596  -7.364   8.458
  508   2HB   ASN  63          3HB       ASN  63   1.847  -6.226   7.127
  509   1HD2  ASN  63          2HD2      ASN  63   3.533  -7.399   9.368
  510   2HD2  ASN  63          1HD2      ASN  63   4.288  -5.941  10.049
  511    H    MET  64           H        MET  64  -0.283  -5.682   5.977
  512    HA   MET  64           HA       MET  64  -0.116  -2.842   5.461
  513   1HB   MET  64          2HB       MET  64   0.210  -4.629   3.767
  514   2HB   MET  64          3HB       MET  64  -1.516  -4.984   3.849
  515   1HG   MET  64          2HG       MET  64  -1.983  -2.609   3.180
  516   2HG   MET  64          3HG       MET  64  -0.248  -2.334   3.037
  517   1HE   MET  64          1HE       MET  64   0.615  -5.250   1.609
  518   2HE   MET  64          2HE       MET  64   0.679  -4.607  -0.035
  519   3HE   MET  64          3HE       MET  64   1.301  -3.636   1.323
  520    H    SER  65           H        SER  65  -2.878  -4.998   6.315
  521    HA   SER  65           HA       SER  65  -4.901  -2.997   5.960
  522   1HB   SER  65          2HB       SER  65  -4.852  -5.266   8.022
  523   2HB   SER  65          3HB       SER  65  -6.264  -4.309   7.565
  524    HG   SER  65           HG       SER  65  -4.784  -6.130   5.974
  525    H    GLU  66           H        GLU  66  -2.813  -3.696   8.778
  526    HA   GLU  66           HA       GLU  66  -3.964  -1.796  10.579
  527   1HB   GLU  66          2HB       GLU  66  -2.379  -3.647  11.148
  528   2HB   GLU  66          3HB       GLU  66  -1.073  -2.729  10.379
  529   1HG   GLU  66          2HG       GLU  66  -1.479  -0.858  11.971
  530   2HG   GLU  66          3HG       GLU  66  -2.771  -1.796  12.728
  531    H    TYR  67           H        TYR  67  -1.053  -1.472   8.527
  532    HA   TYR  67           HA       TYR  67  -0.563   1.272   8.778
  533   1HB   TYR  67          2HB       TYR  67   0.929  -0.351   7.682
  534   2HB   TYR  67          3HB       TYR  67  -0.200  -0.532   6.359
  535    HD1  TYR  67           HD1      TYR  67   0.542   0.470   4.358
  536    HD2  TYR  67           HD2      TYR  67   1.416   2.337   8.113
  537    HE1  TYR  67           HE1      TYR  67   1.840   2.220   3.176
  538    HE2  TYR  67           HE2      TYR  67   2.736   4.125   6.935
  539    HH   TYR  67           HH       TYR  67   3.243   3.998   3.423
  540    H    LEU  68           H        LEU  68  -2.725  -0.268   6.342
  541    HA   LEU  68           HA       LEU  68  -3.519   2.251   5.166
  542   1HB   LEU  68          2HB       LEU  68  -4.811  -0.498   5.122
  543   2HB   LEU  68          3HB       LEU  68  -5.368   0.874   4.162
  544    HG   LEU  68           HG       LEU  68  -2.653  -0.468   3.924
  545   1HD1  LEU  68          1HD1      LEU  68  -5.053  -0.465   2.067
  546   2HD1  LEU  68          2HD1      LEU  68  -3.492  -1.261   1.777
  547   3HD1  LEU  68          3HD1      LEU  68  -4.527  -1.821   3.096
  548   1HD2  LEU  68          1HD2      LEU  68  -2.392   1.875   3.332
  549   2HD2  LEU  68          2HD2      LEU  68  -2.363   0.874   1.887
  550   3HD2  LEU  68          3HD2      LEU  68  -3.833   1.803   2.284
  551    H    THR  69           H        THR  69  -4.474   0.857   8.161
  552    HA   THR  69           HA       THR  69  -7.061   2.219   8.346
  553    HB   THR  69           HB       THR  69  -5.402   1.216  10.615
  554    HG1  THR  69           1HG      THR  69  -5.862  -0.460   9.199
  555   1HG2  THR  69          1HG2      THR  69  -8.386   1.743  10.334
  556   2HG2  THR  69          2HG2      THR  69  -7.592   1.004  11.743
  557   3HG2  THR  69          3HG2      THR  69  -7.246   2.688  11.324
  558    H    ASN  70           H        ASN  70  -3.751   2.904   9.490
  559    HA   ASN  70           HA       ASN  70  -4.204   5.765   9.243
  560   1HB   ASN  70          2HB       ASN  70  -5.107   5.262  11.528
  561   2HB   ASN  70          3HB       ASN  70  -3.483   4.776  12.022
  562   1HD2  ASN  70          2HD2      ASN  70  -5.402   7.163  12.668
  563   2HD2  ASN  70          1HD2      ASN  70  -4.299   8.540  12.450
  564    HA   PRO  71           HA       PRO  71  -0.091   4.102   8.168
  565   1HB   PRO  71          2HB       PRO  71   0.586   5.819   6.117
  566   2HB   PRO  71          3HB       PRO  71  -0.548   4.447   5.921
  567   1HG   PRO  71          2HG       PRO  71  -1.233   7.356   6.469
  568   2HG   PRO  71          3HG       PRO  71  -1.912   6.284   5.218
  569   1HD   PRO  71          2HD       PRO  71  -3.202   6.671   7.557
  570   2HD   PRO  71          3HD       PRO  71  -3.155   5.036   6.820
  571    H    LYS  72           H        LYS  72  -0.851   7.460   8.606
  572    HA   LYS  72           HA       LYS  72   1.760   8.523   9.074
  573   1HB   LYS  72          2HB       LYS  72  -0.411   9.634   8.286
  574   2HB   LYS  72          3HB       LYS  72  -0.931   9.647   9.971
  575   1HG   LYS  72          2HG       LYS  72   0.908  11.110  10.597
  576   2HG   LYS  72          3HG       LYS  72   1.663  10.948   8.999
  577   1HD   LYS  72          2HD       LYS  72  -1.140  12.072   9.408
  578   2HD   LYS  72          3HD       LYS  72   0.306  13.094   9.405
  579   1HE   LYS  72          2HE       LYS  72   0.690  12.878   7.161
  580   2HE   LYS  72          3HE       LYS  72   0.088  11.223   7.085
  581   1HZ   LYS  72          1HZ       LYS  72  -1.771  13.498   7.422
  582   2HZ   LYS  72          2HZ       LYS  72  -1.327  12.902   5.950
  583   3HZ   LYS  72          3HZ       LYS  72  -2.095  11.922   6.947
  584    H    LYS  73           H        LYS  73  -0.685   7.301  11.299
  585    HA   LYS  73           HA       LYS  73   0.953   7.784  13.694
  586   1HB   LYS  73          2HB       LYS  73  -1.512   7.555  13.797
  587   2HB   LYS  73          3HB       LYS  73  -1.404   5.865  13.304
  588   1HG   LYS  73          2HG       LYS  73   0.153   6.835  15.717
  589   2HG   LYS  73          3HG       LYS  73  -1.583   6.605  15.871
  590   1HD   LYS  73          2HD       LYS  73  -1.489   4.290  15.642
  591   2HD   LYS  73          3HD       LYS  73   0.001   4.313  14.722
  592   1HE   LYS  73          2HE       LYS  73   0.539   3.421  16.865
  593   2HE   LYS  73          3HE       LYS  73   1.282   5.017  16.717
  594   1HZ   LYS  73          1HZ       LYS  73  -1.236   4.417  18.168
  595   2HZ   LYS  73          2HZ       LYS  73   0.212   4.737  18.877
  596   3HZ   LYS  73          3HZ       LYS  73  -0.565   5.914  18.035
  597    H    TYR  74           H        TYR  74   0.498   4.988  11.494
  598    HA   TYR  74           HA       TYR  74   1.985   3.189  13.146
  599   1HB   TYR  74          2HB       TYR  74   0.311   2.743  11.219
  600   2HB   TYR  74          3HB       TYR  74   1.664   2.991  10.139
  601    HD1  TYR  74           HD1      TYR  74   2.481   0.870   9.307
  602    HD2  TYR  74           HD2      TYR  74   1.052   1.143  13.387
  603    HE1  TYR  74           HE1      TYR  74   2.837  -1.582   9.633
  604    HE2  TYR  74           HE2      TYR  74   1.563  -1.259  13.704
  605    HH   TYR  74           HH       TYR  74   1.544  -3.236  12.217
  606    H    ILE  75           H        ILE  75   2.948   5.304  10.565
  607    HA   ILE  75           HA       ILE  75   5.847   4.874  11.184
  608    HB   ILE  75           HB       ILE  75   4.682   5.170   8.402
  609   1HG1  ILE  75          2HG1      ILE  75   5.802   2.707   9.801
  610   2HG1  ILE  75          3HG1      ILE  75   4.150   2.946   9.227
  611   1HG2  ILE  75          1HG2      ILE  75   7.520   4.553   9.353
  612   2HG2  ILE  75          2HG2      ILE  75   7.003   4.827   7.670
  613   3HG2  ILE  75          3HG2      ILE  75   6.996   6.156   8.808
  614   1HD1  ILE  75          1HD1      ILE  75   6.618   2.521   7.531
  615   2HD1  ILE  75          2HD1      ILE  75   5.170   1.519   7.655
  616   3HD1  ILE  75          3HD1      ILE  75   5.076   3.106   6.866
  617    HA   PRO  76           HA       PRO  76   4.480   9.281  11.683
  618   1HB   PRO  76          2HB       PRO  76   6.057   9.927  13.824
  619   2HB   PRO  76          3HB       PRO  76   4.486   9.080  13.965
  620   1HG   PRO  76          2HG       PRO  76   7.263   7.863  13.945
  621   2HG   PRO  76          3HG       PRO  76   5.912   7.524  15.072
  622   1HD   PRO  76          2HD       PRO  76   6.454   5.934  12.934
  623   2HD   PRO  76          3HD       PRO  76   4.770   6.236  13.455
  624    H    GLY  77           H        GLY  77   5.289  10.318   9.979
  625   1HA   GLY  77          1HA       GLY  77   7.055  11.786   9.068
  626   2HA   GLY  77          2HA       GLY  77   8.264  10.676   9.685
  627    H    THR  78           H        THR  78   5.911   8.675   8.422
  628    HA   THR  78           HA       THR  78   7.198   7.898   6.037
  629    HB   THR  78           HB       THR  78   5.414   6.590   7.029
  630    HG1  THR  78           1HG      THR  78   4.416   6.000   5.140
  631   1HG2  THR  78          1HG2      THR  78   3.372   8.541   5.895
  632   2HG2  THR  78          2HG2      THR  78   3.063   7.051   6.809
  633   3HG2  THR  78          3HG2      THR  78   3.785   8.458   7.606
  634    H    LYS  79           H        LYS  79   7.161   8.493   3.949
  635    HA   LYS  79           HA       LYS  79   6.240  11.091   3.077
  636   1HB   LYS  79          2HB       LYS  79   7.979   9.279   2.068
  637   2HB   LYS  79          3HB       LYS  79   6.595   8.821   1.154
  638   1HG   LYS  79          2HG       LYS  79   6.532  11.464   0.572
  639   2HG   LYS  79          3HG       LYS  79   8.236  11.343   1.059
  640   1HD   LYS  79          2HD       LYS  79   8.171   9.202  -0.549
  641   2HD   LYS  79          3HD       LYS  79   6.774  10.046  -1.231
  642   1HE   LYS  79          2HE       LYS  79   8.140  11.920  -1.874
  643   2HE   LYS  79          3HE       LYS  79   9.556  11.205  -1.062
  644   1HZ   LYS  79          1HZ       LYS  79   8.085   9.851  -3.277
  645   2HZ   LYS  79          2HZ       LYS  79   9.478  10.691  -3.508
  646   3HZ   LYS  79          3HZ       LYS  79   9.450   9.340  -2.575
  647    H    MET  80           H        MET  80   4.434   8.169   3.622
  648    HA   MET  80           HA       MET  80   2.271   8.723   1.779
  649   1HB   MET  80          2HB       MET  80   2.862   6.457   2.554
  650   2HB   MET  80          3HB       MET  80   2.384   6.884   4.196
  651   1HG   MET  80          2HG       MET  80   0.181   6.883   3.732
  652   2HG   MET  80          3HG       MET  80   0.368   7.448   2.075
  653   1HE   MET  80          1HE       MET  80  -1.866   5.724   1.964
  654   2HE   MET  80          2HE       MET  80  -1.697   3.960   2.117
  655   3HE   MET  80          3HE       MET  80  -1.527   4.981   3.547
  656    H    ALA  81           H        ALA  81   2.287  10.977   2.395
  657    HA   ALA  81           HA       ALA  81   1.200  12.053   4.726
  658   1HB   ALA  81          1HB       ALA  81   1.003  13.102   1.862
  659   2HB   ALA  81          2HB       ALA  81   0.833  14.076   3.334
  660   3HB   ALA  81          3HB       ALA  81   2.391  13.323   2.952
  661    H    PHE  82           H        PHE  82  -0.404   9.965   3.146
  662    HA   PHE  82           HA       PHE  82  -3.104  10.810   2.678
  663   1HB   PHE  82          2HB       PHE  82  -1.986   8.799   1.744
  664   2HB   PHE  82          3HB       PHE  82  -1.925   8.087   3.348
  665    HD1  PHE  82           HD1      PHE  82  -4.494   9.586   0.992
  666    HD2  PHE  82           HD2      PHE  82  -3.527   6.432   3.774
  667    HE1  PHE  82           HE1      PHE  82  -6.677   8.504   0.548
  668    HE2  PHE  82           HE2      PHE  82  -5.690   5.346   3.302
  669    HZ   PHE  82           HZ       PHE  82  -7.276   6.372   1.698
  670    H    GLY  83           H        GLY  83  -4.963   9.731   3.860
  671   1HA   GLY  83          1HA       GLY  83  -4.939  10.643   6.684
  672   2HA   GLY  83          2HA       GLY  83  -6.355  10.279   5.704
  673    H    GLY  84           H        GLY  84  -5.901   7.695   4.873
  674   1HA   GLY  84          1HA       GLY  84  -5.416   5.454   5.833
  675   2HA   GLY  84          2HA       GLY  84  -5.847   6.102   7.413
  676    H    LEU  85           H        LEU  85  -7.004   4.048   5.321
  677    HA   LEU  85           HA       LEU  85  -9.791   4.988   4.962
  678   1HB   LEU  85          2HB       LEU  85  -8.305   2.435   4.229
  679   2HB   LEU  85          3HB       LEU  85 -10.039   2.646   3.975
  680    HG   LEU  85           HG       LEU  85  -7.864   4.322   2.673
  681   1HD1  LEU  85          1HD1      LEU  85  -9.676   2.104   1.634
  682   2HD1  LEU  85          2HD1      LEU  85  -8.636   3.114   0.629
  683   3HD1  LEU  85          3HD1      LEU  85  -7.915   2.031   1.837
  684   1HD2  LEU  85          1HD2      LEU  85  -9.937   5.638   2.913
  685   2HD2  LEU  85          2HD2      LEU  85  -9.720   5.141   1.245
  686   3HD2  LEU  85          3HD2      LEU  85 -10.895   4.281   2.263
  687    H    LYS  86           H        LYS  86  -9.989   5.255   7.285
  688    HA   LYS  86           HA       LYS  86 -10.146   3.378   9.302
  689   1HB   LYS  86          2HB       LYS  86 -12.258   5.477   8.664
  690   2HB   LYS  86          3HB       LYS  86 -12.083   4.656  10.218
  691   1HG   LYS  86          2HG       LYS  86  -9.878   5.649  10.574
  692   2HG   LYS  86          3HG       LYS  86  -9.898   6.384   8.959
  693   1HD   LYS  86          2HD       LYS  86 -11.878   7.722   9.559
  694   2HD   LYS  86          3HD       LYS  86 -11.872   7.017  11.191
  695   1HE   LYS  86          2HE       LYS  86  -9.646   7.976  11.627
  696   2HE   LYS  86          3HE       LYS  86  -9.556   8.594   9.972
  697   1HZ   LYS  86          1HZ       LYS  86 -11.583   9.435  11.976
  698   2HZ   LYS  86          2HZ       LYS  86 -10.266  10.313  11.548
  699   3HZ   LYS  86          3HZ       LYS  86 -11.444  10.018  10.445
  700    H    LYS  87           H        LYS  87 -12.564   3.619   6.738
  701    HA   LYS  87           HA       LYS  87 -14.470   1.692   7.680
  702   1HB   LYS  87          2HB       LYS  87 -13.775   2.837   4.964
  703   2HB   LYS  87          3HB       LYS  87 -14.858   1.454   5.092
  704   1HG   LYS  87          2HG       LYS  87 -16.346   2.789   6.621
  705   2HG   LYS  87          3HG       LYS  87 -15.282   4.181   6.365
  706   1HD   LYS  87          2HD       LYS  87 -17.125   4.429   4.839
  707   2HD   LYS  87          3HD       LYS  87 -15.710   3.973   3.883
  708   1HE   LYS  87          2HE       LYS  87 -16.612   1.517   4.203
  709   2HE   LYS  87          3HE       LYS  87 -18.140   2.295   4.642
  710   1HZ   LYS  87          1HZ       LYS  87 -16.608   2.627   2.125
  711   2HZ   LYS  87          2HZ       LYS  87 -17.971   1.746   2.255
  712   3HZ   LYS  87          3HZ       LYS  87 -18.039   3.393   2.427
  713    H    GLU  88           H        GLU  88 -13.891  -0.232   8.311
  714    HA   GLU  88           HA       GLU  88 -12.073  -2.134   7.357
  715   1HB   GLU  88          2HB       GLU  88 -13.413  -2.334   9.339
  716   2HB   GLU  88          3HB       GLU  88 -14.910  -2.348   8.441
  717   1HG   GLU  88          2HG       GLU  88 -13.012  -4.553   7.753
  718   2HG   GLU  88          3HG       GLU  88 -13.626  -4.563   9.404
  719    H    LYS  89           H        LYS  89 -15.333  -1.593   6.105
  720    HA   LYS  89           HA       LYS  89 -15.486  -3.475   4.081
  721   1HB   LYS  89          2HB       LYS  89 -16.634  -0.678   3.923
  722   2HB   LYS  89          3HB       LYS  89 -17.279  -2.130   3.183
  723   1HG   LYS  89          2HG       LYS  89 -17.139  -1.648   6.190
  724   2HG   LYS  89          3HG       LYS  89 -18.500  -1.264   5.171
  725   1HD   LYS  89          2HD       LYS  89 -19.023  -3.562   4.768
  726   2HD   LYS  89          3HD       LYS  89 -17.381  -4.074   5.137
  727   1HE   LYS  89          2HE       LYS  89 -18.033  -3.003   7.541
  728   2HE   LYS  89          3HE       LYS  89 -19.648  -3.526   7.033
  729   1HZ   LYS  89          1HZ       LYS  89 -17.204  -5.211   7.022
  730   2HZ   LYS  89          2HZ       LYS  89 -18.104  -5.159   8.292
  731   3HZ   LYS  89          3HZ       LYS  89 -18.767  -5.795   6.899
  732    H    ASP  90           H        ASP  90 -14.416  -0.167   3.681
  733    HA   ASP  90           HA       ASP  90 -13.693  -0.108   0.914
  734   1HB   ASP  90          2HB       ASP  90 -12.965   1.444   3.391
  735   2HB   ASP  90          3HB       ASP  90 -11.840   1.500   2.078
  736    H    ARG  91           H        ARG  91 -11.696  -0.805   3.814
  737    HA   ARG  91           HA       ARG  91  -9.356  -1.526   2.288
  738   1HB   ARG  91          2HB       ARG  91 -10.058  -2.321   5.155
  739   2HB   ARG  91          3HB       ARG  91  -8.483  -2.516   4.365
  740   1HG   ARG  91          2HG       ARG  91  -8.591   0.022   3.883
  741   2HG   ARG  91          3HG       ARG  91  -9.890   0.076   5.066
  742   1HD   ARG  91          2HD       ARG  91  -7.001  -0.759   5.473
  743   2HD   ARG  91          3HD       ARG  91  -7.761   0.698   6.093
  744    HE   ARG  91           HE       ARG  91  -7.506  -1.681   7.463
  745   1HH1  ARG  91          1HH2      ARG  91 -10.141   0.566   6.992
  746   2HH1  ARG  91          2HH2      ARG  91 -10.823   0.209   8.550
  747   1HH2  ARG  91          1HH1      ARG  91  -8.320  -1.829   9.407
  748   2HH2  ARG  91          2HH1      ARG  91  -9.947  -1.332   9.769
  749    H    ASN  92           H        ASN  92 -11.952  -3.622   3.582
  750    HA   ASN  92           HA       ASN  92 -10.769  -6.089   2.883
  751   1HB   ASN  92          2HB       ASN  92 -13.648  -5.181   3.116
  752   2HB   ASN  92          3HB       ASN  92 -13.279  -6.807   2.522
  753   1HD2  ASN  92          2HD2      ASN  92 -14.166  -5.363   5.424
  754   2HD2  ASN  92          1HD2      ASN  92 -13.181  -6.434   6.390
  755    H    ASP  93           H        ASP  93 -12.877  -4.142   0.696
  756    HA   ASP  93           HA       ASP  93 -12.484  -5.920  -1.578
  757   1HB   ASP  93          2HB       ASP  93 -13.386  -3.039  -1.303
  758   2HB   ASP  93          3HB       ASP  93 -13.138  -3.796  -2.872
  759    H    LEU  94           H        LEU  94 -10.845  -2.869  -0.601
  760    HA   LEU  94           HA       LEU  94  -9.127  -2.673  -2.855
  761   1HB   LEU  94          2HB       LEU  94  -9.720  -1.058  -0.821
  762   2HB   LEU  94          3HB       LEU  94  -8.200  -1.666  -0.179
  763    HG   LEU  94           HG       LEU  94  -8.666  -0.282  -2.868
  764   1HD1  LEU  94          1HD1      LEU  94  -7.386   0.718  -0.299
  765   2HD1  LEU  94          2HD1      LEU  94  -7.521   1.626  -1.826
  766   3HD1  LEU  94          3HD1      LEU  94  -8.979   1.183  -0.932
  767   1HD2  LEU  94          1HD2      LEU  94  -6.735  -1.671  -3.139
  768   2HD2  LEU  94          2HD2      LEU  94  -6.178  -0.014  -2.918
  769   3HD2  LEU  94          3HD2      LEU  94  -6.058  -1.165  -1.569
  770    H    ILE  95           H        ILE  95  -8.546  -4.279   0.253
  771    HA   ILE  95           HA       ILE  95  -5.907  -5.303  -0.259
  772    HB   ILE  95           HB       ILE  95  -8.165  -6.368   1.465
  773   1HG1  ILE  95          2HG1      ILE  95  -5.608  -5.076   2.489
  774   2HG1  ILE  95          3HG1      ILE  95  -6.955  -4.069   1.985
  775   1HG2  ILE  95          1HG2      ILE  95  -5.241  -7.258   1.386
  776   2HG2  ILE  95          2HG2      ILE  95  -6.385  -7.708   2.663
  777   3HG2  ILE  95          3HG2      ILE  95  -6.665  -8.257   1.026
  778   1HD1  ILE  95          1HD1      ILE  95  -7.071  -6.211   4.145
  779   2HD1  ILE  95          2HD1      ILE  95  -7.135  -4.450   4.362
  780   3HD1  ILE  95          3HD1      ILE  95  -8.469  -5.306   3.572
  781    H    THR  96           H        THR  96  -9.139  -6.563  -1.075
  782    HA   THR  96           HA       THR  96  -8.210  -9.102  -2.100
  783    HB   THR  96           HB       THR  96 -10.736  -7.660  -2.982
  784    HG1  THR  96           1HG      THR  96 -10.663  -7.853  -0.683
  785   1HG2  THR  96          1HG2      THR  96 -10.054 -10.625  -2.736
  786   2HG2  THR  96          2HG2      THR  96 -11.617  -9.945  -3.231
  787   3HG2  THR  96          3HG2      THR  96 -10.191  -9.730  -4.262
  788    H    TYR  97           H        TYR  97  -8.419  -5.896  -3.589
  789    HA   TYR  97           HA       TYR  97  -7.489  -6.799  -6.232
  790   1HB   TYR  97          2HB       TYR  97  -8.861  -4.835  -6.028
  791   2HB   TYR  97          3HB       TYR  97  -7.741  -4.075  -4.924
  792    HD1  TYR  97           HD1      TYR  97  -7.854  -5.485  -8.416
  793    HD2  TYR  97           HD2      TYR  97  -6.096  -2.606  -5.729
  794    HE1  TYR  97           HE1      TYR  97  -6.821  -4.310 -10.350
  795    HE2  TYR  97           HE2      TYR  97  -4.979  -1.522  -7.653
  796    HH   TYR  97           HH       TYR  97  -5.306  -2.617 -10.977
  797    H    LEU  98           H        LEU  98  -5.893  -5.030  -3.494
  798    HA   LEU  98           HA       LEU  98  -3.366  -4.878  -4.716
  799   1HB   LEU  98          2HB       LEU  98  -4.620  -4.289  -2.148
  800   2HB   LEU  98          3HB       LEU  98  -3.103  -5.056  -1.851
  801    HG   LEU  98           HG       LEU  98  -3.037  -2.577  -1.890
  802   1HD1  LEU  98          1HD1      LEU  98  -1.318  -3.856  -4.057
  803   2HD1  LEU  98          2HD1      LEU  98  -1.006  -2.329  -3.197
  804   3HD1  LEU  98          3HD1      LEU  98  -0.993  -3.859  -2.312
  805   1HD2  LEU  98          1HD2      LEU  98  -4.679  -2.305  -3.794
  806   2HD2  LEU  98          2HD2      LEU  98  -3.236  -1.276  -3.856
  807   3HD2  LEU  98          3HD2      LEU  98  -3.353  -2.695  -4.907
  808    H    LYS  99           H        LYS  99  -4.713  -7.532  -2.781
  809    HA   LYS  99           HA       LYS  99  -2.454  -9.292  -2.908
  810   1HB   LYS  99          2HB       LYS  99  -4.424  -9.793  -1.581
  811   2HB   LYS  99          3HB       LYS  99  -5.457  -9.847  -3.022
  812   1HG   LYS  99          2HG       LYS  99  -4.419 -11.816  -3.844
  813   2HG   LYS  99          3HG       LYS  99  -3.039 -11.636  -2.752
  814   1HD   LYS  99          2HD       LYS  99  -5.824 -12.117  -1.669
  815   2HD   LYS  99          3HD       LYS  99  -4.844 -13.460  -2.254
  816   1HE   LYS  99          2HE       LYS  99  -3.843 -11.490  -0.148
  817   2HE   LYS  99          3HE       LYS  99  -4.697 -12.978   0.257
  818   1HZ   LYS  99          1HZ       LYS  99  -2.063 -12.832  -1.121
  819   2HZ   LYS  99          2HZ       LYS  99  -2.429 -13.437   0.385
  820   3HZ   LYS  99          3HZ       LYS  99  -2.895 -14.155  -1.065
  821    H    LYS 100           H        LYS 100  -5.051  -8.813  -5.274
  822    HA   LYS 100           HA       LYS 100  -3.975 -10.566  -7.270
  823   1HB   LYS 100          2HB       LYS 100  -6.372  -9.344  -6.868
  824   2HB   LYS 100          3HB       LYS 100  -5.771  -8.337  -8.164
  825   1HG   LYS 100          2HG       LYS 100  -5.842 -11.398  -8.304
  826   2HG   LYS 100          3HG       LYS 100  -7.227 -10.404  -8.698
  827   1HD   LYS 100          2HD       LYS 100  -6.553 -10.171 -10.779
  828   2HD   LYS 100          3HD       LYS 100  -5.111  -9.321 -10.266
  829   1HE   LYS 100          2HE       LYS 100  -5.377 -12.359 -10.555
  830   2HE   LYS 100          3HE       LYS 100  -4.646 -11.267 -11.748
  831   1HZ   LYS 100          1HZ       LYS 100  -3.642 -11.809  -9.011
  832   2HZ   LYS 100          2HZ       LYS 100  -2.916 -12.286 -10.285
  833   3HZ   LYS 100          3HZ       LYS 100  -3.013 -10.651  -9.949
  834    H    ALA 101           H        ALA 101  -2.942  -7.516  -6.363
  835    HA   ALA 101           HA       ALA 101  -1.621  -6.736  -8.882
  836   1HB   ALA 101          1HB       ALA 101  -1.054  -5.681  -6.086
  837   2HB   ALA 101          2HB       ALA 101  -0.655  -4.940  -7.625
  838   3HB   ALA 101          3HB       ALA 101  -2.364  -5.075  -7.130
  839    H    THR 102           H        THR 102  -0.975  -8.960  -6.359
  840    HA   THR 102           HA       THR 102   1.911  -9.213  -7.121
  841    HB   THR 102           HB       THR 102   0.521  -9.858  -4.491
  842    HG1  THR 102           1HG      THR 102   0.890  -7.719  -4.875
  843   1HG2  THR 102          1HG2      THR 102   3.365 -10.340  -5.440
  844   2HG2  THR 102          2HG2      THR 102   2.948 -10.164  -3.715
  845   3HG2  THR 102          3HG2      THR 102   2.252 -11.480  -4.673
  846    H    GLU 103           H        GLU 103  -1.102 -11.022  -6.353
  847    HA   GLU 103           HA       GLU 103   0.010 -13.451  -7.704
  848   1HB   GLU 103          2HB       GLU 103  -0.915 -14.876  -6.044
  849   2HB   GLU 103          3HB       GLU 103   0.075 -13.659  -5.253
  850   1HG   GLU 103          2HG       GLU 103  -2.179 -12.390  -4.878
  851   2HG   GLU 103          3HG       GLU 103  -2.947 -13.924  -5.266
  852    HHA  HEC 104           HHA      HEC 104   4.952   3.222   1.048
  853    HHB  HEC 104           HHB      HEC 104  -0.742   0.337  -0.089
  854    HHC  HEC 104           HHC      HEC 104  -3.412   6.155  -1.190
  855    HHD  HEC 104           HHD      HEC 104   2.419   8.787  -0.924
  856   1HMA  HEC 104          1HMA      HEC 104   1.421  -1.186   1.697
  857   2HMA  HEC 104          2HMA      HEC 104   0.840  -1.224   0.016
  858   3HMA  HEC 104          3HMA      HEC 104   2.547  -1.495   0.357
  859   1HAA  HEC 104          1HAA      HEC 104   4.202  -0.497   1.604
  860   2HAA  HEC 104          2HAA      HEC 104   4.828   1.076   2.083
  861   1HBA  HEC 104          1HBA      HEC 104   5.741   1.395  -0.215
  862   2HBA  HEC 104          2HBA      HEC 104   5.085  -0.174  -0.686
  863   1HMB  HEC 104          1HMB      HEC 104  -3.822   0.477  -0.030
  864   2HMB  HEC 104          2HMB      HEC 104  -4.127   0.874  -1.725
  865   3HMB  HEC 104          3HMB      HEC 104  -2.628   0.081  -1.282
  866    HAB  HEC 104           HAB      HEC 104  -4.871   4.786  -1.217
  867   1HBB  HEC 104          1HBB      HEC 104  -5.322   3.728   0.895
  868   2HBB  HEC 104          2HBB      HEC 104  -6.667   3.585  -0.254
  869   3HBB  HEC 104          3HBB      HEC 104  -5.618   2.184   0.072
  870   1HMC  HEC 104          1HMC      HEC 104  -3.650   8.539  -1.165
  871   2HMC  HEC 104          2HMC      HEC 104  -2.745   9.781  -2.035
  872   3HMC  HEC 104          3HMC      HEC 104  -3.086   8.238  -2.819
  873    HAC  HEC 104           HAC      HEC 104   1.180  10.066  -1.875
  874   1HBC  HEC 104          1HBC      HEC 104  -0.020  11.068  -0.034
  875   2HBC  HEC 104          2HBC      HEC 104   0.046  12.121  -1.460
  876   3HBC  HEC 104          3HBC      HEC 104  -1.457  11.271  -1.057
  877   1HMD  HEC 104          1HMD      HEC 104   4.861   9.083  -0.262
  878   2HMD  HEC 104          2HMD      HEC 104   6.065   7.939  -0.930
  879   3HMD  HEC 104          3HMD      HEC 104   4.591   8.303  -1.817
  880   1HAD  HEC 104          1HAD      HEC 104   6.051   5.054   1.998
  881   2HAD  HEC 104          2HAD      HEC 104   6.095   6.793   1.890
  882   1HBD  HEC 104          1HBD      HEC 104   7.299   6.269  -0.466
  883   2HBD  HEC 104          2HBD      HEC 104   7.634   4.749   0.323
  Start of MODEL    3
    1   1H    THR  -5          H1        THR  -5 -11.180 -13.595  11.158
    2   2H    THR  -5          H2        THR  -5  -9.621 -13.841  11.686
    3   3H    THR  -5          H3        THR  -5  -9.930 -13.371  10.130
    4    HA   THR  -5           HA       THR  -5 -10.387 -11.733  12.527
    5    HB   THR  -5           HB       THR  -5  -8.762 -10.203  11.343
    6    HG1  THR  -5           1HG      THR  -5  -7.645 -11.026   9.634
    7   1HG2  THR  -5          1HG2      THR  -5  -7.635 -12.983  11.969
    8   2HG2  THR  -5          2HG2      THR  -5  -6.737 -11.461  11.907
    9   3HG2  THR  -5          3HG2      THR  -5  -7.957 -11.700  13.166
   10    H    GLU  -4           H        GLU  -4 -10.766  -9.255  11.415
   11    HA   GLU  -4           HA       GLU  -4 -13.294  -9.590  10.132
   12   1HB   GLU  -4          2HB       GLU  -4 -12.722  -7.858  11.788
   13   2HB   GLU  -4          3HB       GLU  -4 -11.657  -7.082  10.618
   14   1HG   GLU  -4          2HG       GLU  -4 -13.946  -6.045  10.947
   15   2HG   GLU  -4          3HG       GLU  -4 -13.488  -6.362   9.275
   16    H    PHE  -3           H        PHE  -3 -10.287  -9.759   8.641
   17    HA   PHE  -3           HA       PHE  -3 -11.108  -8.809   6.022
   18   1HB   PHE  -3          2HB       PHE  -3  -8.733  -9.182   6.526
   19   2HB   PHE  -3          3HB       PHE  -3  -9.042 -10.910   6.731
   20    HD1  PHE  -3           HD1      PHE  -3  -9.398 -12.356   4.787
   21    HD2  PHE  -3           HD2      PHE  -3  -9.115  -8.075   4.288
   22    HE1  PHE  -3           HE1      PHE  -3  -9.395 -12.636   2.316
   23    HE2  PHE  -3           HE2      PHE  -3  -9.147  -8.373   1.825
   24    HZ   PHE  -3           HZ       PHE  -3  -9.305 -10.626   0.840
   25    H    LYS  -2           H        LYS  -2 -12.895  -9.495   5.217
   26    HA   LYS  -2           HA       LYS  -2 -13.911 -12.253   5.705
   27   1HB   LYS  -2          2HB       LYS  -2 -14.948  -9.971   6.511
   28   2HB   LYS  -2          3HB       LYS  -2 -15.601  -9.878   4.883
   29   1HG   LYS  -2          2HG       LYS  -2 -16.969 -11.790   5.193
   30   2HG   LYS  -2          3HG       LYS  -2 -16.011 -12.398   6.551
   31   1HD   LYS  -2          2HD       LYS  -2 -17.548  -9.779   6.688
   32   2HD   LYS  -2          3HD       LYS  -2 -18.273 -11.333   7.141
   33   1HE   LYS  -2          2HE       LYS  -2 -16.805 -11.669   8.963
   34   2HE   LYS  -2          3HE       LYS  -2 -15.611 -10.528   8.341
   35   1HZ   LYS  -2          1HZ       LYS  -2 -18.228  -9.683   9.464
   36   2HZ   LYS  -2          2HZ       LYS  -2 -16.714  -9.523  10.156
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.001  -8.702   8.881
   38    H    ALA  -1           H        ALA  -1 -12.171 -11.372   3.492
   39    HA   ALA  -1           HA       ALA  -1 -11.777 -11.343   1.303
   40   1HB   ALA  -1          1HB       ALA  -1 -14.257 -13.054   0.911
   41   2HB   ALA  -1          2HB       ALA  -1 -12.915 -12.836  -0.226
   42   3HB   ALA  -1          3HB       ALA  -1 -12.638 -13.674   1.310
   43    H    GLY   1           H        GLY   1 -12.816 -10.725  -0.929
   44   1HA   GLY   1          1HA       GLY   1 -15.204  -9.106  -0.917
   45   2HA   GLY   1          2HA       GLY   1 -13.708  -8.177  -1.112
   46    H    SER   2           H        SER   2 -14.210  -7.637  -3.159
   47    HA   SER   2           HA       SER   2 -14.014  -9.695  -5.344
   48   1HB   SER   2          2HB       SER   2 -16.282  -8.946  -5.275
   49   2HB   SER   2          3HB       SER   2 -15.775  -7.246  -5.206
   50    HG   SER   2           HG       SER   2 -16.386  -8.347  -7.322
   51    H    ALA   3           H        ALA   3 -12.113  -9.467  -6.317
   52    HA   ALA   3           HA       ALA   3 -10.359  -7.349  -6.030
   53   1HB   ALA   3          1HB       ALA   3 -10.530  -9.301  -8.361
   54   2HB   ALA   3          2HB       ALA   3  -9.113  -8.323  -7.927
   55   3HB   ALA   3          3HB       ALA   3  -9.696  -9.567  -6.807
   56    H    LYS   4           H        LYS   4 -13.008  -7.413  -8.381
   57    HA   LYS   4           HA       LYS   4 -11.976  -4.973  -9.684
   58   1HB   LYS   4          2HB       LYS   4 -14.302  -6.781 -10.205
   59   2HB   LYS   4          3HB       LYS   4 -14.547  -5.071 -10.587
   60   1HG   LYS   4          2HG       LYS   4 -12.453  -5.049 -11.915
   61   2HG   LYS   4          3HG       LYS   4 -12.253  -6.786 -11.626
   62   1HD   LYS   4          2HD       LYS   4 -14.330  -7.274 -12.816
   63   2HD   LYS   4          3HD       LYS   4 -14.696  -5.554 -12.999
   64   1HE   LYS   4          2HE       LYS   4 -12.230  -6.935 -14.162
   65   2HE   LYS   4          3HE       LYS   4 -13.731  -6.676 -15.056
   66   1HZ   LYS   4          1HZ       LYS   4 -12.103  -4.483 -13.889
   67   2HZ   LYS   4          2HZ       LYS   4 -12.074  -4.930 -15.469
   68   3HZ   LYS   4          3HZ       LYS   4 -13.448  -4.310 -14.830
   69    H    LYS   5           H        LYS   5 -13.954  -5.572  -7.089
   70    HA   LYS   5           HA       LYS   5 -14.981  -2.768  -6.960
   71   1HB   LYS   5          2HB       LYS   5 -16.214  -5.023  -6.041
   72   2HB   LYS   5          3HB       LYS   5 -15.407  -4.482  -4.571
   73   1HG   LYS   5          2HG       LYS   5 -16.469  -2.086  -5.573
   74   2HG   LYS   5          3HG       LYS   5 -17.623  -3.262  -6.159
   75   1HD   LYS   5          2HD       LYS   5 -18.656  -3.042  -4.195
   76   2HD   LYS   5          3HD       LYS   5 -17.368  -3.975  -3.459
   77   1HE   LYS   5          2HE       LYS   5 -17.466  -0.921  -3.757
   78   2HE   LYS   5          3HE       LYS   5 -17.855  -1.832  -2.285
   79   1HZ   LYS   5          1HZ       LYS   5 -15.171  -1.765  -3.564
   80   2HZ   LYS   5          2HZ       LYS   5 -15.597  -1.026  -2.141
   81   3HZ   LYS   5          3HZ       LYS   5 -15.596  -2.655  -2.262
   82    H    GLY   6           H        GLY   6 -12.320  -4.585  -5.755
   83   1HA   GLY   6          1HA       GLY   6 -11.330  -2.362  -4.081
   84   2HA   GLY   6          2HA       GLY   6 -10.443  -3.809  -4.545
   85    H    ALA   7           H        ALA   7 -10.454  -3.730  -7.337
   86    HA   ALA   7           HA       ALA   7  -8.500  -1.925  -8.065
   87   1HB   ALA   7          1HB       ALA   7 -10.676  -3.046  -9.894
   88   2HB   ALA   7          2HB       ALA   7  -9.072  -2.464 -10.382
   89   3HB   ALA   7          3HB       ALA   7  -9.221  -3.920  -9.391
   90    H    THR   8           H        THR   8 -12.007  -1.488  -8.601
   91    HA   THR   8           HA       THR   8 -11.911   1.109  -9.829
   92    HB   THR   8           HB       THR   8 -14.302   1.324  -8.900
   93    HG1  THR   8           1HG      THR   8 -14.013  -1.420  -8.399
   94   1HG2  THR   8          1HG2      THR   8 -13.590  -1.130 -10.570
   95   2HG2  THR   8          2HG2      THR   8 -15.202  -0.392 -10.425
   96   3HG2  THR   8          3HG2      THR   8 -13.878   0.516 -11.172
   97    H    LEU   9           H        LEU   9 -11.601   0.236  -6.449
   98    HA   LEU   9           HA       LEU   9 -11.994   2.929  -5.441
   99   1HB   LEU   9          2HB       LEU   9 -11.901   0.289  -4.333
  100   2HB   LEU   9          3HB       LEU   9 -10.453   1.054  -3.745
  101    HG   LEU   9           HG       LEU   9 -12.367   3.028  -3.359
  102   1HD1  LEU   9          1HD1      LEU   9 -13.574   0.341  -2.630
  103   2HD1  LEU   9          2HD1      LEU   9 -14.237   1.915  -2.170
  104   3HD1  LEU   9          3HD1      LEU   9 -14.179   1.444  -3.886
  105   1HD2  LEU   9          1HD2      LEU   9 -10.615   2.457  -1.744
  106   2HD2  LEU   9          2HD2      LEU   9 -12.201   2.450  -0.947
  107   3HD2  LEU   9          3HD2      LEU   9 -11.428   0.918  -1.387
  108    H    PHE  10           H        PHE  10  -9.214   0.755  -5.498
  109    HA   PHE  10           HA       PHE  10  -7.077   2.407  -5.002
  110   1HB   PHE  10          2HB       PHE  10  -6.886  -0.005  -5.276
  111   2HB   PHE  10          3HB       PHE  10  -7.239   0.118  -6.990
  112    HD1  PHE  10           HD1      PHE  10  -5.508   0.568  -8.595
  113    HD2  PHE  10           HD2      PHE  10  -4.691   0.860  -4.372
  114    HE1  PHE  10           HE1      PHE  10  -3.071   0.678  -9.062
  115    HE2  PHE  10           HE2      PHE  10  -2.260   1.105  -4.873
  116    HZ   PHE  10           HZ       PHE  10  -1.455   1.005  -7.218
  117    H    LYS  11           H        LYS  11  -8.510   1.939  -8.200
  118    HA   LYS  11           HA       LYS  11  -6.749   3.482  -9.794
  119   1HB   LYS  11          2HB       LYS  11  -8.381   1.846 -10.598
  120   2HB   LYS  11          3HB       LYS  11  -9.723   2.911 -10.190
  121   1HG   LYS  11          2HG       LYS  11  -7.546   3.891 -12.050
  122   2HG   LYS  11          3HG       LYS  11  -8.700   2.720 -12.664
  123   1HD   LYS  11          2HD       LYS  11 -10.513   4.163 -12.576
  124   2HD   LYS  11          3HD       LYS  11  -9.824   5.166 -11.300
  125   1HE   LYS  11          2HE       LYS  11  -8.049   5.940 -12.903
  126   2HE   LYS  11          3HE       LYS  11  -8.865   5.039 -14.190
  127   1HZ   LYS  11          1HZ       LYS  11  -9.990   7.306 -12.636
  128   2HZ   LYS  11          2HZ       LYS  11  -9.573   7.336 -14.220
  129   3HZ   LYS  11          3HZ       LYS  11 -10.857   6.432 -13.727
  130    H    THR  12           H        THR  12  -9.076   4.707  -7.585
  131    HA   THR  12           HA       THR  12  -8.359   7.493  -8.353
  132    HB   THR  12           HB       THR  12 -10.507   6.856  -9.446
  133    HG1  THR  12           1HG      THR  12 -10.455   8.933  -7.552
  134   1HG2  THR  12          1HG2      THR  12 -11.703   6.991  -6.647
  135   2HG2  THR  12          2HG2      THR  12 -12.571   6.850  -8.184
  136   3HG2  THR  12          3HG2      THR  12 -11.544   5.516  -7.627
  137    H    ARG  13           H        ARG  13  -7.933   5.478  -6.049
  138    HA   ARG  13           HA       ARG  13  -8.234   7.504  -3.837
  139   1HB   ARG  13          2HB       ARG  13  -8.366   4.475  -3.626
  140   2HB   ARG  13          3HB       ARG  13  -8.496   5.576  -2.274
  141   1HG   ARG  13          2HG       ARG  13 -10.560   5.675  -4.520
  142   2HG   ARG  13          3HG       ARG  13 -10.560   4.409  -3.305
  143   1HD   ARG  13          2HD       ARG  13 -10.474   6.475  -1.637
  144   2HD   ARG  13          3HD       ARG  13 -11.208   7.314  -3.013
  145    HE   ARG  13           HE       ARG  13 -12.824   5.215  -2.971
  146   1HH1  ARG  13          1HH2      ARG  13 -11.748   6.896  -0.149
  147   2HH1  ARG  13          2HH2      ARG  13 -12.849   6.039   0.913
  148   1HH2  ARG  13          1HH1      ARG  13 -14.241   4.172  -1.605
  149   2HH2  ARG  13          2HH1      ARG  13 -14.106   4.329   0.097
  150    H    CYS  14           H        CYS  14  -6.111   5.315  -5.467
  151    HA   CYS  14           HA       CYS  14  -3.883   5.899  -3.552
  152   1HB   CYS  14          2HB       CYS  14  -4.494   3.307  -4.950
  153   2HB   CYS  14          3HB       CYS  14  -3.209   3.567  -3.777
  154    H    LEU  15           H        LEU  15  -4.687   4.650  -6.837
  155    HA   LEU  15           HA       LEU  15  -2.218   4.803  -8.077
  156   1HB   LEU  15          2HB       LEU  15  -4.396   3.723  -8.814
  157   2HB   LEU  15          3HB       LEU  15  -4.936   5.323  -9.318
  158    HG   LEU  15           HG       LEU  15  -2.866   5.352 -10.876
  159   1HD1  LEU  15          1HD1      LEU  15  -2.983   2.344 -10.459
  160   2HD1  LEU  15          2HD1      LEU  15  -1.889   3.240 -11.510
  161   3HD1  LEU  15          3HD1      LEU  15  -1.726   3.375  -9.751
  162   1HD2  LEU  15          1HD2      LEU  15  -5.167   5.008 -11.673
  163   2HD2  LEU  15          2HD2      LEU  15  -4.001   4.024 -12.580
  164   3HD2  LEU  15          3HD2      LEU  15  -5.018   3.260 -11.347
  165    H    GLN  16           H        GLN  16  -4.158   7.500  -7.185
  166    HA   GLN  16           HA       GLN  16  -3.111   9.626  -8.743
  167   1HB   GLN  16          2HB       GLN  16  -3.521  11.023  -6.791
  168   2HB   GLN  16          3HB       GLN  16  -4.858   9.924  -7.094
  169   1HG   GLN  16          2HG       GLN  16  -3.922   8.415  -5.257
  170   2HG   GLN  16          3HG       GLN  16  -2.772   9.710  -4.884
  171   1HE2  GLN  16          2HE2      GLN  16  -3.564  11.628  -3.765
  172   2HE2  GLN  16          1HE2      GLN  16  -5.276  11.638  -3.286
  173    H    CYS  17           H        CYS  17  -1.601   7.899  -5.982
  174    HA   CYS  17           HA       CYS  17   0.972   9.357  -6.427
  175   1HB   CYS  17          2HB       CYS  17  -0.139   7.836  -4.056
  176   2HB   CYS  17          3HB       CYS  17   1.516   8.421  -4.165
  177    H    HIS  18           H        HIS  18  -0.503   6.126  -6.365
  178    HA   HIS  18           HA       HIS  18   2.175   4.818  -6.541
  179   1HB   HIS  18          1HB       HIS  18  -0.612   4.023  -5.645
  180   2HB   HIS  18          2HB       HIS  18   0.489   2.777  -6.164
  181    HD1  HIS  18           HD1      HIS  18   2.902   2.640  -4.815
  182    HD2  HIS  18           HD2      HIS  18  -0.213   4.967  -3.199
  183    HE1  HIS  18           HE1      HIS  18   3.502   3.063  -2.370
  184    H    THR  19           H        THR  19   2.243   2.754  -7.763
  185    HA   THR  19           HA       THR  19   0.194   2.323  -9.827
  186    HB   THR  19           HB       THR  19   1.806   1.531 -11.457
  187    HG1  THR  19           1HG      THR  19   3.907   2.991 -10.498
  188   1HG2  THR  19          1HG2      THR  19   2.376   4.440 -10.775
  189   2HG2  THR  19          2HG2      THR  19   2.556   3.646 -12.354
  190   3HG2  THR  19          3HG2      THR  19   0.942   3.857 -11.658
  191    H    VAL  20           H        VAL  20   0.184  -0.001 -10.448
  192    HA   VAL  20           HA       VAL  20   1.842  -1.783  -8.710
  193    HB   VAL  20           HB       VAL  20  -0.376  -1.554  -7.660
  194   1HG1  VAL  20          1HG1      VAL  20  -1.501  -2.999 -10.089
  195   2HG1  VAL  20          2HG1      VAL  20  -2.353  -2.581  -8.591
  196   3HG1  VAL  20          3HG1      VAL  20  -1.800  -1.297  -9.673
  197   1HG2  VAL  20          1HG2      VAL  20   0.973  -3.581  -7.324
  198   2HG2  VAL  20          2HG2      VAL  20  -0.757  -3.911  -7.261
  199   3HG2  VAL  20          3HG2      VAL  20   0.171  -4.354  -8.705
  200    H    GLU  21           H        GLU  21   0.060  -1.302 -11.660
  201    HA   GLU  21           HA       GLU  21   0.476  -3.712 -12.967
  202   1HB   GLU  21          2HB       GLU  21   0.703  -1.196 -14.584
  203   2HB   GLU  21          3HB       GLU  21  -0.163  -2.671 -14.914
  204   1HG   GLU  21          2HG       GLU  21  -1.871  -1.137 -14.626
  205   2HG   GLU  21          3HG       GLU  21  -1.835  -1.970 -13.077
  206    H    LYS  22           H        LYS  22   1.925  -4.418 -14.587
  207    HA   LYS  22           HA       LYS  22   4.586  -4.212 -13.819
  208   1HB   LYS  22          2HB       LYS  22   3.305  -6.112 -14.844
  209   2HB   LYS  22          3HB       LYS  22   3.675  -5.414 -16.434
  210   1HG   LYS  22          2HG       LYS  22   5.957  -5.802 -16.201
  211   2HG   LYS  22          3HG       LYS  22   5.955  -5.660 -14.476
  212   1HD   LYS  22          2HD       LYS  22   4.653  -7.877 -14.356
  213   2HD   LYS  22          3HD       LYS  22   4.993  -8.025 -16.083
  214   1HE   LYS  22          2HE       LYS  22   6.772  -9.215 -14.906
  215   2HE   LYS  22          3HE       LYS  22   7.475  -7.687 -15.468
  216   1HZ   LYS  22          1HZ       LYS  22   6.528  -8.290 -12.716
  217   2HZ   LYS  22          2HZ       LYS  22   8.068  -7.923 -13.166
  218   3HZ   LYS  22          3HZ       LYS  22   6.859  -6.794 -13.190
  219    H    GLY  23           H        GLY  23   3.113  -2.031 -15.899
  220   1HA   GLY  23          1HA       GLY  23   5.726  -1.060 -17.030
  221   2HA   GLY  23          2HA       GLY  23   4.142  -0.664 -17.688
  222    H    GLY  24           H        GLY  24   4.038  -0.607 -14.267
  223   1HA   GLY  24          1HA       GLY  24   3.331   2.141 -14.262
  224   2HA   GLY  24          2HA       GLY  24   3.489   1.075 -12.879
  225    HA   PRO  25           HA       PRO  25   7.540   3.646 -13.202
  226   1HB   PRO  25          2HB       PRO  25   7.018   6.342 -13.170
  227   2HB   PRO  25          3HB       PRO  25   7.243   5.404 -14.680
  228   1HG   PRO  25          2HG       PRO  25   4.628   6.153 -13.327
  229   2HG   PRO  25          3HG       PRO  25   5.081   6.363 -15.051
  230   1HD   PRO  25          2HD       PRO  25   3.623   4.240 -14.217
  231   2HD   PRO  25          3HD       PRO  25   4.869   4.044 -15.480
  232    H    HIS  26           H        HIS  26   8.451   4.681 -11.339
  233    HA   HIS  26           HA       HIS  26   6.899   4.591  -8.842
  234   1HB   HIS  26          2HB       HIS  26   9.772   5.306  -9.515
  235   2HB   HIS  26          3HB       HIS  26   9.036   5.594  -7.943
  236    HD1  HIS  26           HD1      HIS  26   9.251   2.329 -10.129
  237    HD2  HIS  26           HD2      HIS  26   9.710   3.882  -6.231
  238    HE1  HIS  26           HE1      HIS  26  10.062   0.406  -8.621
  239    H    LYS  27           H        LYS  27   5.308   6.016  -9.188
  240    HA   LYS  27           HA       LYS  27   5.624   8.919  -9.533
  241   1HB   LYS  27          2HB       LYS  27   3.434   6.970  -8.756
  242   2HB   LYS  27          3HB       LYS  27   3.147   8.713  -8.608
  243   1HG   LYS  27          2HG       LYS  27   3.376   9.061 -10.956
  244   2HG   LYS  27          3HG       LYS  27   3.892   7.388 -11.216
  245   1HD   LYS  27          2HD       LYS  27   1.786   6.640 -11.295
  246   2HD   LYS  27          3HD       LYS  27   1.359   7.353  -9.756
  247   1HE   LYS  27          2HE       LYS  27   1.330   8.854 -12.409
  248   2HE   LYS  27          3HE       LYS  27  -0.056   8.007 -11.709
  249   1HZ   LYS  27          1HZ       LYS  27   1.330  10.279 -10.388
  250   2HZ   LYS  27          2HZ       LYS  27  -0.125  10.344 -11.144
  251   3HZ   LYS  27          3HZ       LYS  27   0.040   9.467  -9.783
  252    H    VAL  28           H        VAL  28   3.938   9.619  -7.281
  253    HA   VAL  28           HA       VAL  28   5.782  10.331  -5.239
  254    HB   VAL  28           HB       VAL  28   2.772  10.102  -4.989
  255   1HG1  VAL  28          1HG1      VAL  28   4.765  11.978  -3.634
  256   2HG1  VAL  28          2HG1      VAL  28   2.996  12.105  -3.497
  257   3HG1  VAL  28          3HG1      VAL  28   3.825  10.698  -2.845
  258   1HG2  VAL  28          1HG2      VAL  28   3.191  11.392  -7.026
  259   2HG2  VAL  28          2HG2      VAL  28   2.676  12.486  -5.752
  260   3HG2  VAL  28          3HG2      VAL  28   4.397  12.385  -6.172
  261    H    GLY  29           H        GLY  29   4.079   7.341  -5.657
  262   1HA   GLY  29          1HA       GLY  29   5.714   6.270  -3.457
  263   2HA   GLY  29          2HA       GLY  29   4.006   5.800  -3.484
  264    HA   PRO  30           HA       PRO  30   7.067   3.459  -6.275
  265   1HB   PRO  30          2HB       PRO  30   7.292   0.983  -5.014
  266   2HB   PRO  30          3HB       PRO  30   8.284   2.422  -4.661
  267   1HG   PRO  30          2HG       PRO  30   5.793   1.493  -3.214
  268   2HG   PRO  30          3HG       PRO  30   7.380   1.988  -2.525
  269   1HD   PRO  30          2HD       PRO  30   5.350   3.762  -2.621
  270   2HD   PRO  30          3HD       PRO  30   6.990   4.260  -3.034
  271    H    ASN  31           H        ASN  31   7.043   1.289  -7.357
  272    HA   ASN  31           HA       ASN  31   4.364   0.745  -8.484
  273   1HB   ASN  31          2HB       ASN  31   6.215   1.214 -10.022
  274   2HB   ASN  31          3HB       ASN  31   7.173  -0.093  -9.304
  275   1HD2  ASN  31          2HD2      ASN  31   3.856   0.319 -10.649
  276   2HD2  ASN  31          1HD2      ASN  31   3.930  -1.195 -11.569
  277    H    LEU  32           H        LEU  32   3.204  -0.571  -7.233
  278    HA   LEU  32           HA       LEU  32   4.486  -1.793  -5.025
  279   1HB   LEU  32          2HB       LEU  32   1.606  -1.618  -5.964
  280   2HB   LEU  32          3HB       LEU  32   2.014  -2.499  -4.508
  281    HG   LEU  32           HG       LEU  32   2.602   0.453  -4.948
  282   1HD1  LEU  32          1HD1      LEU  32   0.436  -0.930  -3.322
  283   2HD1  LEU  32          2HD1      LEU  32   0.767   0.812  -3.309
  284   3HD1  LEU  32          3HD1      LEU  32   0.202   0.030  -4.802
  285   1HD2  LEU  32          1HD2      LEU  32   4.174  -0.486  -3.321
  286   2HD2  LEU  32          2HD2      LEU  32   2.971   0.482  -2.471
  287   3HD2  LEU  32          3HD2      LEU  32   2.850  -1.288  -2.453
  288    H    HIS  33           H        HIS  33   3.587  -3.323  -7.969
  289    HA   HIS  33           HA       HIS  33   2.867  -5.608  -8.358
  290   1HB   HIS  33          2HB       HIS  33   5.820  -5.328  -7.768
  291   2HB   HIS  33          3HB       HIS  33   5.124  -6.863  -8.249
  292    HD1  HIS  33           HD1      HIS  33   6.087  -3.529  -9.877
  293    HD2  HIS  33           HD2      HIS  33   4.376  -7.289 -10.742
  294    HE1  HIS  33           HE1      HIS  33   6.365  -3.882 -12.322
  295    H    GLY  34           H        GLY  34   5.237  -6.615  -6.188
  296   1HA   GLY  34          1HA       GLY  34   3.287  -7.972  -4.346
  297   2HA   GLY  34          2HA       GLY  34   4.674  -8.832  -5.004
  298    H    ILE  35           H        ILE  35   4.131  -5.680  -3.306
  299    HA   ILE  35           HA       ILE  35   6.444  -6.035  -1.605
  300    HB   ILE  35           HB       ILE  35   5.646  -4.298  -0.207
  301   1HG1  ILE  35          2HG1      ILE  35   3.306  -4.690   0.040
  302   2HG1  ILE  35          3HG1      ILE  35   3.620  -3.047  -0.476
  303   1HG2  ILE  35          1HG2      ILE  35   5.353  -3.589  -3.121
  304   2HG2  ILE  35          2HG2      ILE  35   5.563  -2.436  -1.805
  305   3HG2  ILE  35          3HG2      ILE  35   6.825  -3.619  -2.152
  306   1HD1  ILE  35          1HD1      ILE  35   2.431  -5.287  -2.150
  307   2HD1  ILE  35          2HD1      ILE  35   1.666  -3.780  -1.630
  308   3HD1  ILE  35          3HD1      ILE  35   2.961  -3.726  -2.824
  309    H    PHE  36           H        PHE  36   3.342  -7.617  -1.473
  310    HA   PHE  36           HA       PHE  36   3.157  -8.287   1.232
  311   1HB   PHE  36          2HB       PHE  36   2.454  -9.810  -1.304
  312   2HB   PHE  36          3HB       PHE  36   2.070 -10.386   0.316
  313    HD1  PHE  36           HD1      PHE  36   0.879  -8.319  -2.387
  314    HD2  PHE  36           HD2      PHE  36   0.770  -8.811   1.907
  315    HE1  PHE  36           HE1      PHE  36  -1.109  -6.856  -2.262
  316    HE2  PHE  36           HE2      PHE  36  -1.189  -7.317   2.020
  317    HZ   PHE  36           HZ       PHE  36  -2.130  -6.324  -0.017
  318    H    GLY  37           H        GLY  37   4.080  -9.640   2.456
  319   1HA   GLY  37          1HA       GLY  37   5.748 -11.014   3.408
  320   2HA   GLY  37          2HA       GLY  37   5.940 -11.781   1.836
  321    H    ARG  38           H        ARG  38   6.482  -8.457   1.436
  322    HA   ARG  38           HA       ARG  38   9.427  -8.754   1.715
  323   1HB   ARG  38          2HB       ARG  38   7.953  -7.593  -0.298
  324   2HB   ARG  38          3HB       ARG  38   8.194  -6.194   0.724
  325   1HG   ARG  38          2HG       ARG  38   9.958  -6.129  -0.825
  326   2HG   ARG  38          3HG       ARG  38  10.709  -6.814   0.626
  327   1HD   ARG  38          2HD       ARG  38  10.215  -9.120  -0.360
  328   2HD   ARG  38          3HD       ARG  38   9.738  -8.293  -1.856
  329    HE   ARG  38           HE       ARG  38  12.325  -7.350  -1.021
  330   1HH1  ARG  38          1HH2      ARG  38  11.005 -10.216  -2.496
  331   2HH1  ARG  38          2HH2      ARG  38  12.542 -10.666  -3.186
  332   1HH2  ARG  38          1HH1      ARG  38  14.124  -7.888  -1.800
  333   2HH2  ARG  38          2HH1      ARG  38  14.353  -9.290  -2.833
  334    H    HIS  39           H        HIS  39  10.491  -6.840   2.526
  335    HA   HIS  39           HA       HIS  39   9.295  -5.971   5.129
  336   1HB   HIS  39          2HB       HIS  39  12.186  -6.125   4.202
  337   2HB   HIS  39          3HB       HIS  39  11.659  -5.334   5.688
  338    HD1  HIS  39           HD1      HIS  39  12.886  -8.642   4.736
  339    HD2  HIS  39           HD2      HIS  39   9.826  -7.108   7.187
  340    HE1  HIS  39           HE1      HIS  39  12.138 -10.547   6.265
  341    H    SER  40           H        SER  40   8.546  -3.995   5.277
  342    HA   SER  40           HA       SER  40   8.167  -2.310   3.200
  343   1HB   SER  40          2HB       SER  40   7.485  -0.622   4.748
  344   2HB   SER  40          3HB       SER  40   7.046  -2.203   5.406
  345    HG   SER  40           HG       SER  40   9.378  -0.725   6.128
  346    H    GLY  41           H        GLY  41   9.013  -0.630   2.177
  347   1HA   GLY  41          1HA       GLY  41  10.595   1.031   1.617
  348   2HA   GLY  41          2HA       GLY  41  11.493   0.685   3.077
  349    H    GLN  42           H        GLN  42  10.791  -1.762   0.601
  350    HA   GLN  42           HA       GLN  42  13.607  -2.466   0.607
  351   1HB   GLN  42          2HB       GLN  42  11.093  -3.804   0.327
  352   2HB   GLN  42          3HB       GLN  42  12.153  -4.305  -0.977
  353   1HG   GLN  42          2HG       GLN  42  13.327  -4.099   1.829
  354   2HG   GLN  42          3HG       GLN  42  12.267  -5.390   1.455
  355   1HE2  GLN  42          2HE2      GLN  42  15.503  -4.505   1.323
  356   2HE2  GLN  42          1HE2      GLN  42  15.987  -5.784   0.216
  357    H    ALA  43           H        ALA  43  11.912  -0.625  -1.776
  358    HA   ALA  43           HA       ALA  43  13.233  -1.780  -4.090
  359   1HB   ALA  43          1HB       ALA  43  11.879   0.936  -3.887
  360   2HB   ALA  43          2HB       ALA  43  12.240   0.017  -5.347
  361   3HB   ALA  43          3HB       ALA  43  11.038  -0.602  -4.197
  362    H    GLU  44           H        GLU  44  15.413  -1.847  -3.650
  363    HA   GLU  44           HA       GLU  44  17.196  -0.157  -2.624
  364   1HB   GLU  44          2HB       GLU  44  17.515  -2.468  -3.437
  365   2HB   GLU  44          3HB       GLU  44  17.652  -1.870  -5.091
  366   1HG   GLU  44          2HG       GLU  44  19.739  -0.724  -4.552
  367   2HG   GLU  44          3HG       GLU  44  19.523  -1.059  -2.826
  368    H    GLY  45           H        GLY  45  15.880   0.457  -5.799
  369   1HA   GLY  45          1HA       GLY  45  17.820   2.656  -6.348
  370   2HA   GLY  45          2HA       GLY  45  16.682   1.971  -7.494
  371    H    TYR  46           H        TYR  46  14.989   2.630  -4.583
  372    HA   TYR  46           HA       TYR  46  14.393   5.438  -5.307
  373   1HB   TYR  46          2HB       TYR  46  12.849   4.008  -6.585
  374   2HB   TYR  46          3HB       TYR  46  12.199   3.341  -5.109
  375    HD1  TYR  46           HD1      TYR  46  11.970   5.959  -7.537
  376    HD2  TYR  46           HD2      TYR  46  11.261   5.168  -3.358
  377    HE1  TYR  46           HE1      TYR  46  10.306   7.822  -7.458
  378    HE2  TYR  46           HE2      TYR  46   9.592   7.022  -3.295
  379    HH   TYR  46           HH       TYR  46   8.178   8.335  -5.986
  380    H    SER  47           H        SER  47  14.605   6.587  -3.559
  381    HA   SER  47           HA       SER  47  14.915   5.332  -0.953
  382   1HB   SER  47          2HB       SER  47  15.247   8.214  -1.850
  383   2HB   SER  47          3HB       SER  47  15.633   7.602  -0.226
  384    HG   SER  47           HG       SER  47  17.468   7.581  -1.593
  385    H    TYR  48           H        TYR  48  13.228   4.903   0.272
  386    HA   TYR  48           HA       TYR  48  10.754   6.322   0.336
  387   1HB   TYR  48          2HB       TYR  48  11.985   4.204   2.147
  388   2HB   TYR  48          3HB       TYR  48  10.329   4.763   2.282
  389    HD1  TYR  48           HD1      TYR  48   8.655   3.646   1.292
  390    HD2  TYR  48           HD2      TYR  48  12.609   3.147  -0.339
  391    HE1  TYR  48           HE1      TYR  48   7.858   1.724  -0.056
  392    HE2  TYR  48           HE2      TYR  48  11.777   1.338  -1.756
  393    HH   TYR  48           HH       TYR  48   8.699  -0.232  -1.049
  394    H    THR  49           H        THR  49  11.391   5.704   3.537
  395    HA   THR  49           HA       THR  49  12.558   8.307   4.299
  396    HB   THR  49           HB       THR  49  10.968   8.433   6.242
  397    HG1  THR  49           1HG      THR  49   9.245   6.843   4.732
  398   1HG2  THR  49          1HG2      THR  49   9.541   8.634   3.560
  399   2HG2  THR  49          2HG2      THR  49   9.126   9.470   5.081
  400   3HG2  THR  49          3HG2      THR  49  10.634   9.858   4.248
  401    H    ASP  50           H        ASP  50  13.656   8.218   6.261
  402    HA   ASP  50           HA       ASP  50  14.985   6.020   7.271
  403   1HB   ASP  50          2HB       ASP  50  15.509   8.290   7.858
  404   2HB   ASP  50          3HB       ASP  50  13.903   8.566   8.536
  405    H    ALA  51           H        ALA  51  11.886   7.269   8.492
  406    HA   ALA  51           HA       ALA  51  11.398   5.240  10.393
  407   1HB   ALA  51          1HB       ALA  51   9.494   7.199   9.032
  408   2HB   ALA  51          2HB       ALA  51   9.177   6.314  10.540
  409   3HB   ALA  51          3HB       ALA  51  10.472   7.519  10.480
  410    H    ASN  52           H        ASN  52  10.638   5.196   6.907
  411    HA   ASN  52           HA       ASN  52   8.853   2.862   7.320
  412   1HB   ASN  52          2HB       ASN  52   8.491   4.589   5.481
  413   2HB   ASN  52          3HB       ASN  52   9.875   3.863   4.646
  414   1HD2  ASN  52          2HD2      ASN  52   7.951   3.521   2.995
  415   2HD2  ASN  52          1HD2      ASN  52   7.171   1.946   3.210
  416    H    ILE  53           H        ILE  53  12.196   3.493   6.440
  417    HA   ILE  53           HA       ILE  53  12.813   0.759   5.678
  418    HB   ILE  53           HB       ILE  53  14.515   3.183   6.278
  419   1HG1  ILE  53          2HG1      ILE  53  13.986   1.859   3.570
  420   2HG1  ILE  53          3HG1      ILE  53  12.975   3.152   4.190
  421   1HG2  ILE  53          1HG2      ILE  53  15.405   0.495   5.126
  422   2HG2  ILE  53          2HG2      ILE  53  16.418   1.949   5.190
  423   3HG2  ILE  53          3HG2      ILE  53  15.908   1.184   6.684
  424   1HD1  ILE  53          1HD1      ILE  53  15.929   3.395   3.534
  425   2HD1  ILE  53          2HD1      ILE  53  14.561   4.114   2.676
  426   3HD1  ILE  53          3HD1      ILE  53  14.955   4.662   4.317
  427    H    LYS  54           H        LYS  54  13.888   2.687   8.545
  428    HA   LYS  54           HA       LYS  54  15.014   0.386   9.887
  429   1HB   LYS  54          2HB       LYS  54  13.908   2.963  11.049
  430   2HB   LYS  54          3HB       LYS  54  14.911   1.793  11.923
  431   1HG   LYS  54          2HG       LYS  54  16.740   2.159  10.211
  432   2HG   LYS  54          3HG       LYS  54  15.772   3.472   9.532
  433   1HD   LYS  54          2HD       LYS  54  17.000   3.317  12.316
  434   2HD   LYS  54          3HD       LYS  54  17.370   4.448  10.998
  435   1HE   LYS  54          2HE       LYS  54  14.797   5.025  11.185
  436   2HE   LYS  54          3HE       LYS  54  14.934   4.362  12.818
  437   1HZ   LYS  54          1HZ       LYS  54  16.557   6.518  11.615
  438   2HZ   LYS  54          2HZ       LYS  54  15.284   6.807  12.468
  439   3HZ   LYS  54          3HZ       LYS  54  16.618   6.115  13.248
  440    H    LYS  55           H        LYS  55  11.887   0.961   9.225
  441    HA   LYS  55           HA       LYS  55  10.628  -0.332  11.619
  442   1HB   LYS  55          2HB       LYS  55   9.385   1.454  10.724
  443   2HB   LYS  55          3HB       LYS  55   9.609   0.931   9.054
  444   1HG   LYS  55          2HG       LYS  55   8.090  -0.915   9.338
  445   2HG   LYS  55          3HG       LYS  55   7.897  -0.560  11.069
  446   1HD   LYS  55          2HD       LYS  55   6.504   1.198  10.698
  447   2HD   LYS  55          3HD       LYS  55   7.396   1.780   9.299
  448   1HE   LYS  55          2HE       LYS  55   5.532  -0.621   9.247
  449   2HE   LYS  55          3HE       LYS  55   5.042   1.022   8.838
  450   1HZ   LYS  55          1HZ       LYS  55   7.222  -0.428   7.397
  451   2HZ   LYS  55          2HZ       LYS  55   5.681  -0.308   6.858
  452   3HZ   LYS  55          3HZ       LYS  55   6.645   1.015   6.999
  453    H    ASN  56           H        ASN  56  11.618  -1.088   8.374
  454    HA   ASN  56           HA       ASN  56  10.841  -2.819   6.924
  455   1HB   ASN  56          2HB       ASN  56  12.950  -3.617   8.912
  456   2HB   ASN  56          3HB       ASN  56  12.389  -4.833   7.803
  457   1HD2  ASN  56          2HD2      ASN  56  12.149  -2.280   5.618
  458   2HD2  ASN  56          1HD2      ASN  56  13.852  -2.374   5.222
  459    H    VAL  57           H        VAL  57   8.598  -2.632   7.892
  460    HA   VAL  57           HA       VAL  57   7.583  -4.939   9.394
  461    HB   VAL  57           HB       VAL  57   6.385  -2.557   8.044
  462   1HG1  VAL  57          1HG1      VAL  57   4.722  -5.053   8.529
  463   2HG1  VAL  57          2HG1      VAL  57   4.074  -3.422   8.274
  464   3HG1  VAL  57          3HG1      VAL  57   4.960  -4.219   6.981
  465   1HG2  VAL  57          1HG2      VAL  57   6.913  -2.739  10.503
  466   2HG2  VAL  57          2HG2      VAL  57   5.188  -2.431  10.189
  467   3HG2  VAL  57          3HG2      VAL  57   5.735  -4.053  10.619
  468    H    LEU  58           H        LEU  58   7.358  -6.901   8.728
  469    HA   LEU  58           HA       LEU  58   7.476  -7.714   5.961
  470   1HB   LEU  58          2HB       LEU  58   8.113  -9.114   7.942
  471   2HB   LEU  58          3HB       LEU  58   6.407  -9.279   8.344
  472    HG   LEU  58           HG       LEU  58   7.461 -10.028   5.580
  473   1HD1  LEU  58          1HD1      LEU  58   7.384 -11.823   8.034
  474   2HD1  LEU  58          2HD1      LEU  58   7.778 -12.327   6.373
  475   3HD1  LEU  58          3HD1      LEU  58   8.850 -11.207   7.231
  476   1HD2  LEU  58          1HD2      LEU  58   4.999 -10.048   5.772
  477   2HD2  LEU  58          2HD2      LEU  58   5.588 -11.706   5.691
  478   3HD2  LEU  58          3HD2      LEU  58   5.094 -11.019   7.245
  479    H    TRP  59           H        TRP  59   5.950  -7.051   4.642
  480    HA   TRP  59           HA       TRP  59   3.303  -6.254   5.421
  481   1HB   TRP  59          2HB       TRP  59   4.498  -6.844   2.727
  482   2HB   TRP  59          3HB       TRP  59   2.896  -6.156   2.932
  483    HD1  TRP  59           HD1      TRP  59   6.071  -4.959   1.958
  484    HE1  TRP  59           HE1      TRP  59   6.326  -2.404   2.394
  485    HE3  TRP  59           HE3      TRP  59   2.327  -4.334   5.375
  486    HZ2  TRP  59           HZ2      TRP  59   5.222  -0.473   4.109
  487    HZ3  TRP  59           HZ3      TRP  59   1.869  -2.164   6.355
  488    HH2  TRP  59           HH2      TRP  59   3.320  -0.162   5.783
  489    H    ASP  60           H        ASP  60   2.548  -8.063   6.615
  490    HA   ASP  60           HA       ASP  60   1.286 -10.306   5.168
  491   1HB   ASP  60          2HB       ASP  60   0.147  -9.168   7.720
  492   2HB   ASP  60          3HB       ASP  60   0.161 -10.818   7.159
  493    H    GLU  61           H        GLU  61  -1.132 -10.403   4.648
  494    HA   GLU  61           HA       GLU  61  -2.343  -8.073   3.654
  495   1HB   GLU  61          2HB       GLU  61  -3.711 -10.576   4.736
  496   2HB   GLU  61          3HB       GLU  61  -4.500  -9.291   3.850
  497   1HG   GLU  61          2HG       GLU  61  -4.174 -10.688   2.115
  498   2HG   GLU  61          3HG       GLU  61  -2.673  -9.779   1.993
  499    H    ASN  62           H        ASN  62  -2.943  -9.514   6.870
  500    HA   ASN  62           HA       ASN  62  -4.751  -7.494   7.783
  501   1HB   ASN  62          2HB       ASN  62  -2.987  -9.480   9.294
  502   2HB   ASN  62          3HB       ASN  62  -4.252  -8.510  10.015
  503   1HD2  ASN  62          2HD2      ASN  62  -3.627 -11.305   7.894
  504   2HD2  ASN  62          1HD2      ASN  62  -5.287 -11.844   7.943
  505    H    ASN  63           H        ASN  63  -1.213  -7.617   7.784
  506    HA   ASN  63           HA       ASN  63  -0.770  -5.478   9.717
  507   1HB   ASN  63          2HB       ASN  63   0.592  -7.533   9.309
  508   2HB   ASN  63          3HB       ASN  63   1.080  -6.886   7.738
  509   1HD2  ASN  63          2HD2      ASN  63   2.832  -7.759   9.611
  510   2HD2  ASN  63          1HD2      ASN  63   3.776  -6.390  10.198
  511    H    MET  64           H        MET  64  -0.599  -5.778   6.122
  512    HA   MET  64           HA       MET  64  -0.032  -2.993   5.595
  513   1HB   MET  64          2HB       MET  64   0.032  -4.882   3.854
  514   2HB   MET  64          3HB       MET  64  -1.712  -4.875   3.950
  515   1HG   MET  64          2HG       MET  64  -1.724  -2.457   3.268
  516   2HG   MET  64          3HG       MET  64   0.029  -2.532   3.104
  517   1HE   MET  64          1HE       MET  64   0.612  -5.298   1.711
  518   2HE   MET  64          2HE       MET  64   0.500  -4.852   0.004
  519   3HE   MET  64          3HE       MET  64   1.291  -3.754   1.160
  520    H    SER  65           H        SER  65  -3.095  -4.750   6.244
  521    HA   SER  65           HA       SER  65  -4.859  -2.615   5.772
  522   1HB   SER  65          2HB       SER  65  -5.331  -5.082   6.511
  523   2HB   SER  65          3HB       SER  65  -5.255  -4.436   8.161
  524    HG   SER  65           HG       SER  65  -7.380  -4.453   7.182
  525    H    GLU  66           H        GLU  66  -2.893  -3.135   8.790
  526    HA   GLU  66           HA       GLU  66  -4.204  -0.975  10.137
  527   1HB   GLU  66          2HB       GLU  66  -3.011  -2.943  11.217
  528   2HB   GLU  66          3HB       GLU  66  -1.487  -2.179  10.768
  529   1HG   GLU  66          2HG       GLU  66  -1.906  -1.649  13.052
  530   2HG   GLU  66          3HG       GLU  66  -2.147  -0.166  12.144
  531    H    TYR  67           H        TYR  67  -1.138  -1.123   8.363
  532    HA   TYR  67           HA       TYR  67  -0.364   1.602   8.563
  533   1HB   TYR  67          2HB       TYR  67   0.987  -0.181   7.484
  534   2HB   TYR  67          3HB       TYR  67  -0.193  -0.309   6.206
  535    HD1  TYR  67           HD1      TYR  67   0.756   0.403   4.192
  536    HD2  TYR  67           HD2      TYR  67   1.460   2.655   7.770
  537    HE1  TYR  67           HE1      TYR  67   2.067   2.057   2.899
  538    HE2  TYR  67           HE2      TYR  67   2.732   4.369   6.462
  539    HH   TYR  67           HH       TYR  67   3.418   3.890   2.983
  540    H    LEU  68           H        LEU  68  -2.925   0.102   6.611
  541    HA   LEU  68           HA       LEU  68  -3.698   2.710   5.457
  542   1HB   LEU  68          2HB       LEU  68  -4.813  -0.070   5.076
  543   2HB   LEU  68          3HB       LEU  68  -5.318   1.374   4.197
  544    HG   LEU  68           HG       LEU  68  -2.556   0.085   4.089
  545   1HD1  LEU  68          1HD1      LEU  68  -4.732   0.277   1.985
  546   2HD1  LEU  68          2HD1      LEU  68  -3.152  -0.527   1.829
  547   3HD1  LEU  68          3HD1      LEU  68  -4.352  -1.172   2.952
  548   1HD2  LEU  68          1HD2      LEU  68  -2.292   2.494   3.735
  549   2HD2  LEU  68          2HD2      LEU  68  -2.098   1.630   2.213
  550   3HD2  LEU  68          3HD2      LEU  68  -3.620   2.489   2.541
  551    H    THR  69           H        THR  69  -4.408   1.217   8.416
  552    HA   THR  69           HA       THR  69  -6.941   2.649   8.855
  553    HB   THR  69           HB       THR  69  -4.986   1.733  10.908
  554    HG1  THR  69           1HG      THR  69  -5.979  -0.031  11.089
  555   1HG2  THR  69          1HG2      THR  69  -7.931   2.459  11.117
  556   2HG2  THR  69          2HG2      THR  69  -6.940   1.778  12.424
  557   3HG2  THR  69          3HG2      THR  69  -6.570   3.388  11.799
  558    H    ASN  70           H        ASN  70  -3.477   3.168   9.717
  559    HA   ASN  70           HA       ASN  70  -3.868   6.056   9.323
  560   1HB   ASN  70          2HB       ASN  70  -4.632   5.583  11.672
  561   2HB   ASN  70          3HB       ASN  70  -2.962   5.170  12.072
  562   1HD2  ASN  70          2HD2      ASN  70  -4.864   7.524  12.798
  563   2HD2  ASN  70          1HD2      ASN  70  -3.875   8.934  12.364
  564    HA   PRO  71           HA       PRO  71   0.226   4.449   7.984
  565   1HB   PRO  71          2HB       PRO  71   0.686   6.188   5.884
  566   2HB   PRO  71          3HB       PRO  71  -0.356   4.746   5.751
  567   1HG   PRO  71          2HG       PRO  71  -1.189   7.606   6.297
  568   2HG   PRO  71          3HG       PRO  71  -1.901   6.448   5.135
  569   1HD   PRO  71          2HD       PRO  71  -2.985   6.872   7.582
  570   2HD   PRO  71          3HD       PRO  71  -2.981   5.230   6.861
  571    H    LYS  72           H        LYS  72  -0.681   7.709   8.720
  572    HA   LYS  72           HA       LYS  72   2.052   8.758   9.077
  573   1HB   LYS  72          2HB       LYS  72  -0.758   9.885   9.324
  574   2HB   LYS  72          3HB       LYS  72   0.641  10.801   9.901
  575   1HG   LYS  72          2HG       LYS  72   1.435  11.256   7.820
  576   2HG   LYS  72          3HG       LYS  72   1.024   9.674   7.181
  577   1HD   LYS  72          2HD       LYS  72  -0.169  11.334   6.000
  578   2HD   LYS  72          3HD       LYS  72  -1.305  10.311   6.875
  579   1HE   LYS  72          2HE       LYS  72  -1.721  12.044   8.510
  580   2HE   LYS  72          3HE       LYS  72  -0.362  13.013   7.917
  581   1HZ   LYS  72          1HZ       LYS  72  -2.777  12.410   6.272
  582   2HZ   LYS  72          2HZ       LYS  72  -2.526  13.833   7.061
  583   3HZ   LYS  72          3HZ       LYS  72  -1.557  13.327   5.821
  584    H    LYS  73           H        LYS  73   0.059   6.891  10.997
  585    HA   LYS  73           HA       LYS  73   1.656   7.699  13.408
  586   1HB   LYS  73          2HB       LYS  73  -0.918   7.734  13.526
  587   2HB   LYS  73          3HB       LYS  73  -0.834   5.961  13.529
  588   1HG   LYS  73          2HG       LYS  73   0.630   6.051  15.546
  589   2HG   LYS  73          3HG       LYS  73   0.636   7.821  15.459
  590   1HD   LYS  73          2HD       LYS  73  -1.892   7.763  15.774
  591   2HD   LYS  73          3HD       LYS  73  -1.752   6.019  16.024
  592   1HE   LYS  73          2HE       LYS  73  -1.816   7.053  18.194
  593   2HE   LYS  73          3HE       LYS  73  -0.178   6.439  17.928
  594   1HZ   LYS  73          1HZ       LYS  73  -1.031   9.270  17.596
  595   2HZ   LYS  73          2HZ       LYS  73  -0.150   8.684  18.850
  596   3HZ   LYS  73          3HZ       LYS  73   0.494   8.706  17.338
  597    H    TYR  74           H        TYR  74   0.636   4.829  11.538
  598    HA   TYR  74           HA       TYR  74   2.464   2.981  12.749
  599   1HB   TYR  74          2HB       TYR  74   0.394   2.751  11.115
  600   2HB   TYR  74          3HB       TYR  74   1.592   2.900   9.865
  601    HD1  TYR  74           HD1      TYR  74   1.083   1.012  13.097
  602    HD2  TYR  74           HD2      TYR  74   2.408   0.841   9.000
  603    HE1  TYR  74           HE1      TYR  74   1.591  -1.414  13.355
  604    HE2  TYR  74           HE2      TYR  74   2.842  -1.619   9.260
  605    HH   TYR  74           HH       TYR  74   2.331  -3.518  10.729
  606    H    ILE  75           H        ILE  75   2.899   5.474  10.408
  607    HA   ILE  75           HA       ILE  75   5.819   5.172  10.788
  608    HB   ILE  75           HB       ILE  75   4.711   5.967   8.096
  609   1HG1  ILE  75          2HG1      ILE  75   5.786   3.254   8.869
  610   2HG1  ILE  75          3HG1      ILE  75   4.130   3.627   8.381
  611   1HG2  ILE  75          1HG2      ILE  75   7.499   5.120   9.055
  612   2HG2  ILE  75          2HG2      ILE  75   7.115   5.799   7.456
  613   3HG2  ILE  75          3HG2      ILE  75   7.001   6.812   8.884
  614   1HD1  ILE  75          1HD1      ILE  75   6.605   3.766   6.668
  615   2HD1  ILE  75          2HD1      ILE  75   5.207   2.694   6.472
  616   3HD1  ILE  75          3HD1      ILE  75   5.049   4.439   6.160
  617    HA   PRO  76           HA       PRO  76   4.521   9.471  11.864
  618   1HB   PRO  76          2HB       PRO  76   6.532  10.029  13.631
  619   2HB   PRO  76          3HB       PRO  76   5.086   9.069  14.073
  620   1HG   PRO  76          2HG       PRO  76   7.825   8.049  13.260
  621   2HG   PRO  76          3HG       PRO  76   6.822   7.537  14.654
  622   1HD   PRO  76          2HD       PRO  76   6.883   6.161  12.303
  623   2HD   PRO  76          3HD       PRO  76   5.381   6.283  13.269
  624    H    GLY  77           H        GLY  77   5.203  11.316  10.816
  625   1HA   GLY  77          1HA       GLY  77   6.510  12.724   9.464
  626   2HA   GLY  77          2HA       GLY  77   7.926  11.788   9.923
  627    H    THR  78           H        THR  78   5.559   9.747   8.530
  628    HA   THR  78           HA       THR  78   7.160   9.102   6.299
  629    HB   THR  78           HB       THR  78   5.516   7.640   7.267
  630    HG1  THR  78           1HG      THR  78   4.784   6.749   5.352
  631   1HG2  THR  78          1HG2      THR  78   3.369   9.139   5.726
  632   2HG2  THR  78          2HG2      THR  78   3.164   7.660   6.685
  633   3HG2  THR  78          3HG2      THR  78   3.575   9.186   7.484
  634    H    LYS  79           H        LYS  79   7.105   9.401   4.181
  635    HA   LYS  79           HA       LYS  79   5.929  11.799   2.979
  636   1HB   LYS  79          2HB       LYS  79   7.759   9.581   2.152
  637   2HB   LYS  79          3HB       LYS  79   6.791  10.280   0.861
  638   1HG   LYS  79          2HG       LYS  79   7.806  12.282   0.865
  639   2HG   LYS  79          3HG       LYS  79   8.086  12.302   2.599
  640   1HD   LYS  79          2HD       LYS  79  10.147  12.245   1.092
  641   2HD   LYS  79          3HD       LYS  79  10.084  11.180   2.478
  642   1HE   LYS  79          2HE       LYS  79  11.061   9.937   0.697
  643   2HE   LYS  79          3HE       LYS  79   9.475   9.266   1.021
  644   1HZ   LYS  79          1HZ       LYS  79  10.340  10.789  -1.327
  645   2HZ   LYS  79          2HZ       LYS  79   9.536   9.359  -1.180
  646   3HZ   LYS  79          3HZ       LYS  79   8.717  10.718  -0.914
  647    H    MET  80           H        MET  80   4.587   8.622   3.600
  648    HA   MET  80           HA       MET  80   2.552   8.872   1.530
  649   1HB   MET  80          2HB       MET  80   3.169   6.666   2.335
  650   2HB   MET  80          3HB       MET  80   2.675   7.075   3.981
  651   1HG   MET  80          2HG       MET  80   0.448   7.045   3.487
  652   2HG   MET  80          3HG       MET  80   0.671   7.547   1.823
  653   1HE   MET  80          1HE       MET  80  -1.561   5.932   1.740
  654   2HE   MET  80          2HE       MET  80  -1.481   4.167   1.957
  655   3HE   MET  80          3HE       MET  80  -1.279   5.236   3.355
  656    H    ALA  81           H        ALA  81   2.305  11.145   2.011
  657    HA   ALA  81           HA       ALA  81   1.336  12.239   4.339
  658   1HB   ALA  81          1HB       ALA  81   0.987  13.224   1.470
  659   2HB   ALA  81          2HB       ALA  81   0.922  14.241   2.924
  660   3HB   ALA  81          3HB       ALA  81   2.439  13.443   2.473
  661    H    PHE  82           H        PHE  82  -0.387  10.222   2.776
  662    HA   PHE  82           HA       PHE  82  -3.043  11.055   2.302
  663   1HB   PHE  82          2HB       PHE  82  -1.947   9.035   1.449
  664   2HB   PHE  82          3HB       PHE  82  -1.854   8.360   3.062
  665    HD1  PHE  82           HD1      PHE  82  -4.504   9.802   0.760
  666    HD2  PHE  82           HD2      PHE  82  -3.360   6.612   3.439
  667    HE1  PHE  82           HE1      PHE  82  -6.639   8.634   0.304
  668    HE2  PHE  82           HE2      PHE  82  -5.508   5.477   3.005
  669    HZ   PHE  82           HZ       PHE  82  -7.144   6.486   1.420
  670    H    GLY  83           H        GLY  83  -3.193   8.561   4.716
  671   1HA   GLY  83          1HA       GLY  83  -3.577   9.818   7.142
  672   2HA   GLY  83          2HA       GLY  83  -5.035  10.278   6.267
  673    H    GLY  84           H        GLY  84  -5.123   7.540   4.908
  674   1HA   GLY  84          1HA       GLY  84  -5.317   5.237   5.561
  675   2HA   GLY  84          2HA       GLY  84  -5.498   5.720   7.236
  676    H    LEU  85           H        LEU  85  -7.102   4.165   5.072
  677    HA   LEU  85           HA       LEU  85  -9.773   5.430   5.222
  678   1HB   LEU  85          2HB       LEU  85  -8.734   2.920   3.843
  679   2HB   LEU  85          3HB       LEU  85 -10.419   3.431   3.823
  680    HG   LEU  85           HG       LEU  85  -8.095   5.041   2.708
  681   1HD1  LEU  85          1HD1      LEU  85 -10.253   3.468   1.247
  682   2HD1  LEU  85          2HD1      LEU  85  -8.986   4.471   0.498
  683   3HD1  LEU  85          3HD1      LEU  85  -8.544   3.007   1.386
  684   1HD2  LEU  85          1HD2      LEU  85  -9.932   6.530   3.359
  685   2HD2  LEU  85          2HD2      LEU  85  -9.887   6.393   1.607
  686   3HD2  LEU  85          3HD2      LEU  85 -11.112   5.479   2.531
  687    H    LYS  86           H        LYS  86 -10.100   5.319   7.411
  688    HA   LYS  86           HA       LYS  86 -10.215   2.995   9.048
  689   1HB   LYS  86          2HB       LYS  86 -12.106   5.382   9.110
  690   2HB   LYS  86          3HB       LYS  86 -11.915   4.172  10.385
  691   1HG   LYS  86          2HG       LYS  86  -9.426   4.824  10.444
  692   2HG   LYS  86          3HG       LYS  86  -9.869   6.235   9.475
  693   1HD   LYS  86          2HD       LYS  86 -11.004   5.488  12.212
  694   2HD   LYS  86          3HD       LYS  86  -9.765   6.712  11.908
  695   1HE   LYS  86          2HE       LYS  86 -11.360   8.050  10.577
  696   2HE   LYS  86          3HE       LYS  86 -12.611   6.816  10.801
  697   1HZ   LYS  86          1HZ       LYS  86 -11.364   8.382  12.988
  698   2HZ   LYS  86          2HZ       LYS  86 -12.871   8.639  12.388
  699   3HZ   LYS  86          3HZ       LYS  86 -12.532   7.244  13.186
  700    H    LYS  87           H        LYS  87 -12.195   3.515   6.321
  701    HA   LYS  87           HA       LYS  87 -14.380   1.679   7.099
  702   1HB   LYS  87          2HB       LYS  87 -13.520   2.910   4.447
  703   2HB   LYS  87          3HB       LYS  87 -14.705   1.605   4.555
  704   1HG   LYS  87          2HG       LYS  87 -16.133   2.998   6.031
  705   2HG   LYS  87          3HG       LYS  87 -15.029   4.369   5.767
  706   1HD   LYS  87          2HD       LYS  87 -15.454   4.333   3.376
  707   2HD   LYS  87          3HD       LYS  87 -16.315   2.790   3.489
  708   1HE   LYS  87          2HE       LYS  87 -18.045   3.933   4.925
  709   2HE   LYS  87          3HE       LYS  87 -17.255   5.476   4.556
  710   1HZ   LYS  87          1HZ       LYS  87 -18.352   3.588   2.537
  711   2HZ   LYS  87          2HZ       LYS  87 -19.084   4.989   3.008
  712   3HZ   LYS  87          3HZ       LYS  87 -17.652   5.024   2.195
  713    H    GLU  88           H        GLU  88 -13.137  -0.076   7.951
  714    HA   GLU  88           HA       GLU  88 -11.252  -1.691   6.708
  715   1HB   GLU  88          2HB       GLU  88 -13.806  -2.708   7.942
  716   2HB   GLU  88          3HB       GLU  88 -12.320  -3.634   7.752
  717   1HG   GLU  88          2HG       GLU  88 -11.198  -2.242   9.433
  718   2HG   GLU  88          3HG       GLU  88 -12.683  -1.276   9.631
  719    H    LYS  89           H        LYS  89 -14.644  -1.459   5.873
  720    HA   LYS  89           HA       LYS  89 -14.928  -3.849   4.302
  721   1HB   LYS  89          2HB       LYS  89 -16.595  -1.330   4.164
  722   2HB   LYS  89          3HB       LYS  89 -17.105  -2.971   3.832
  723   1HG   LYS  89          2HG       LYS  89 -16.352  -1.909   6.620
  724   2HG   LYS  89          3HG       LYS  89 -17.933  -1.954   5.913
  725   1HD   LYS  89          2HD       LYS  89 -17.977  -3.868   7.236
  726   2HD   LYS  89          3HD       LYS  89 -17.577  -4.523   5.663
  727   1HE   LYS  89          2HE       LYS  89 -15.936  -5.624   6.713
  728   2HE   LYS  89          3HE       LYS  89 -15.036  -4.117   6.689
  729   1HZ   LYS  89          1HZ       LYS  89 -16.814  -4.410   8.985
  730   2HZ   LYS  89          2HZ       LYS  89 -15.703  -5.582   8.861
  731   3HZ   LYS  89          3HZ       LYS  89 -15.207  -4.055   8.998
  732    H    ASP  90           H        ASP  90 -14.516  -0.457   3.421
  733    HA   ASP  90           HA       ASP  90 -14.010  -0.753   0.595
  734   1HB   ASP  90          2HB       ASP  90 -13.287   1.258   2.741
  735   2HB   ASP  90          3HB       ASP  90 -12.444   1.298   1.236
  736    H    ARG  91           H        ARG  91 -11.807  -0.863   3.461
  737    HA   ARG  91           HA       ARG  91  -9.445  -1.466   1.940
  738   1HB   ARG  91          2HB       ARG  91  -9.977  -2.204   4.850
  739   2HB   ARG  91          3HB       ARG  91  -8.442  -2.261   4.005
  740   1HG   ARG  91          2HG       ARG  91  -9.011   0.338   3.545
  741   2HG   ARG  91          3HG       ARG  91  -9.934   0.116   5.041
  742   1HD   ARG  91          2HD       ARG  91  -6.991  -0.445   4.581
  743   2HD   ARG  91          3HD       ARG  91  -7.652   0.871   5.535
  744    HE   ARG  91           HE       ARG  91  -7.366  -1.977   6.327
  745   1HH1  ARG  91          1HH2      ARG  91  -8.688   1.111   7.320
  746   2HH1  ARG  91          2HH2      ARG  91  -8.327   0.670   8.998
  747   1HH2  ARG  91          1HH1      ARG  91  -7.078  -2.310   8.378
  748   2HH2  ARG  91          2HH1      ARG  91  -7.472  -1.083   9.541
  749    H    ASN  92           H        ASN  92 -11.842  -3.728   3.294
  750    HA   ASN  92           HA       ASN  92 -10.272  -6.091   2.822
  751   1HB   ASN  92          2HB       ASN  92 -13.261  -5.594   3.084
  752   2HB   ASN  92          3HB       ASN  92 -12.627  -7.196   2.692
  753   1HD2  ASN  92          2HD2      ASN  92 -14.078  -7.090   4.900
  754   2HD2  ASN  92          1HD2      ASN  92 -13.000  -7.234   6.308
  755    H    ASP  93           H        ASP  93 -12.621  -4.407   0.706
  756    HA   ASP  93           HA       ASP  93 -12.140  -6.086  -1.604
  757   1HB   ASP  93          2HB       ASP  93 -13.240  -3.318  -1.112
  758   2HB   ASP  93          3HB       ASP  93 -12.779  -3.766  -2.746
  759    H    LEU  94           H        LEU  94 -10.617  -3.023  -0.549
  760    HA   LEU  94           HA       LEU  94  -8.834  -2.698  -2.690
  761   1HB   LEU  94          2HB       LEU  94  -9.403  -1.136  -0.688
  762   2HB   LEU  94          3HB       LEU  94  -8.162  -2.030   0.191
  763    HG   LEU  94           HG       LEU  94  -6.574  -1.404  -1.774
  764   1HD1  LEU  94          1HD1      LEU  94  -8.791   0.665  -2.167
  765   2HD1  LEU  94          2HD1      LEU  94  -7.204   0.674  -2.949
  766   3HD1  LEU  94          3HD1      LEU  94  -8.368  -0.608  -3.335
  767   1HD2  LEU  94          1HD2      LEU  94  -6.434  -0.404   0.471
  768   2HD2  LEU  94          2HD2      LEU  94  -6.143   0.800  -0.794
  769   3HD2  LEU  94          3HD2      LEU  94  -7.708   0.768   0.040
  770    H    ILE  95           H        ILE  95  -8.195  -4.396   0.364
  771    HA   ILE  95           HA       ILE  95  -5.604  -5.472  -0.235
  772    HB   ILE  95           HB       ILE  95  -7.821  -6.435   1.615
  773   1HG1  ILE  95          2HG1      ILE  95  -5.125  -5.190   2.346
  774   2HG1  ILE  95          3HG1      ILE  95  -6.535  -4.195   2.028
  775   1HG2  ILE  95          1HG2      ILE  95  -4.954  -7.476   1.387
  776   2HG2  ILE  95          2HG2      ILE  95  -6.088  -7.882   2.691
  777   3HG2  ILE  95          3HG2      ILE  95  -6.435  -8.397   1.055
  778   1HD1  ILE  95          1HD1      ILE  95  -6.285  -6.251   4.249
  779   2HD1  ILE  95          2HD1      ILE  95  -6.381  -4.487   4.385
  780   3HD1  ILE  95          3HD1      ILE  95  -7.794  -5.404   3.827
  781    H    THR  96           H        THR  96  -8.888  -6.969  -0.613
  782    HA   THR  96           HA       THR  96  -8.017  -9.396  -1.745
  783    HB   THR  96           HB       THR  96 -10.549  -7.878  -2.499
  784    HG1  THR  96           1HG      THR  96 -10.569  -8.268  -0.356
  785   1HG2  THR  96          1HG2      THR  96  -9.816 -10.832  -2.741
  786   2HG2  THR  96          2HG2      THR  96 -11.438 -10.159  -2.967
  787   3HG2  THR  96          3HG2      THR  96 -10.151  -9.714  -4.087
  788    H    TYR  97           H        TYR  97  -8.727  -6.356  -3.429
  789    HA   TYR  97           HA       TYR  97  -7.986  -7.154  -6.084
  790   1HB   TYR  97          2HB       TYR  97  -9.176  -5.135  -5.845
  791   2HB   TYR  97          3HB       TYR  97  -8.092  -4.513  -4.623
  792    HD1  TYR  97           HD1      TYR  97  -7.778  -5.795  -8.171
  793    HD2  TYR  97           HD2      TYR  97  -6.579  -2.870  -5.231
  794    HE1  TYR  97           HE1      TYR  97  -6.381  -4.652  -9.881
  795    HE2  TYR  97           HE2      TYR  97  -5.131  -1.781  -6.941
  796    HH   TYR  97           HH       TYR  97  -4.753  -2.992 -10.218
  797    H    LEU  98           H        LEU  98  -5.958  -5.401  -3.655
  798    HA   LEU  98           HA       LEU  98  -3.687  -5.317  -5.322
  799   1HB   LEU  98          2HB       LEU  98  -4.317  -4.379  -2.788
  800   2HB   LEU  98          3HB       LEU  98  -3.132  -5.585  -2.402
  801    HG   LEU  98           HG       LEU  98  -1.604  -4.519  -4.203
  802   1HD1  LEU  98          1HD1      LEU  98  -3.554  -2.195  -3.805
  803   2HD1  LEU  98          2HD1      LEU  98  -2.010  -2.132  -4.686
  804   3HD1  LEU  98          3HD1      LEU  98  -3.339  -3.105  -5.313
  805   1HD2  LEU  98          1HD2      LEU  98  -1.200  -4.263  -1.794
  806   2HD2  LEU  98          2HD2      LEU  98  -0.828  -2.766  -2.654
  807   3HD2  LEU  98          3HD2      LEU  98  -2.339  -2.895  -1.730
  808    H    LYS  99           H        LYS  99  -4.659  -7.731  -3.065
  809    HA   LYS  99           HA       LYS  99  -2.451  -9.573  -3.292
  810   1HB   LYS  99          2HB       LYS  99  -4.547  -9.579  -1.728
  811   2HB   LYS  99          3HB       LYS  99  -5.315 -10.528  -2.993
  812   1HG   LYS  99          2HG       LYS  99  -2.723 -11.224  -1.516
  813   2HG   LYS  99          3HG       LYS  99  -4.329 -11.846  -1.133
  814   1HD   LYS  99          2HD       LYS  99  -4.415 -12.807  -3.495
  815   2HD   LYS  99          3HD       LYS  99  -2.684 -12.418  -3.628
  816   1HE   LYS  99          2HE       LYS  99  -2.198 -13.803  -1.648
  817   2HE   LYS  99          3HE       LYS  99  -3.920 -14.146  -1.450
  818   1HZ   LYS  99          1HZ       LYS  99  -2.258 -14.972  -3.793
  819   2HZ   LYS  99          2HZ       LYS  99  -2.964 -15.973  -2.694
  820   3HZ   LYS  99          3HZ       LYS  99  -3.803 -15.061  -3.812
  821    H    LYS 100           H        LYS 100  -5.373  -9.282  -5.254
  822    HA   LYS 100           HA       LYS 100  -4.484 -11.070  -7.437
  823   1HB   LYS 100          2HB       LYS 100  -6.941 -10.126  -6.371
  824   2HB   LYS 100          3HB       LYS 100  -6.887  -9.457  -7.959
  825   1HG   LYS 100          2HG       LYS 100  -6.326 -12.431  -7.517
  826   2HG   LYS 100          3HG       LYS 100  -7.962 -11.804  -7.496
  827   1HD   LYS 100          2HD       LYS 100  -7.686 -12.602  -9.671
  828   2HD   LYS 100          3HD       LYS 100  -7.633 -10.850  -9.785
  829   1HE   LYS 100          2HE       LYS 100  -5.992 -11.782 -11.290
  830   2HE   LYS 100          3HE       LYS 100  -5.145 -10.946 -10.000
  831   1HZ   LYS 100          1HZ       LYS 100  -5.443 -13.899 -10.162
  832   2HZ   LYS 100          2HZ       LYS 100  -4.091 -12.979 -10.417
  833   3HZ   LYS 100          3HZ       LYS 100  -4.667 -13.026  -8.964
  834    H    ALA 101           H        ALA 101  -3.436  -8.305  -6.664
  835    HA   ALA 101           HA       ALA 101  -2.726  -7.657  -9.514
  836   1HB   ALA 101          1HB       ALA 101  -2.350  -5.824  -7.123
  837   2HB   ALA 101          2HB       ALA 101  -2.135  -5.430  -8.840
  838   3HB   ALA 101          3HB       ALA 101  -3.757  -5.786  -8.217
  839    H    THR 102           H        THR 102  -1.375  -8.960  -6.587
  840    HA   THR 102           HA       THR 102   1.369  -8.853  -7.761
  841    HB   THR 102           HB       THR 102   1.208  -8.600  -5.303
  842    HG1  THR 102           1HG      THR 102   2.546 -10.706  -6.571
  843   1HG2  THR 102          1HG2      THR 102   0.363 -11.515  -5.288
  844   2HG2  THR 102          2HG2      THR 102   1.102 -10.654  -3.923
  845   3HG2  THR 102          3HG2      THR 102  -0.453 -10.113  -4.549
  846    H    GLU 103           H        GLU 103  -1.400 -10.795  -7.969
  847    HA   GLU 103           HA       GLU 103  -0.072 -12.908  -9.478
  848   1HB   GLU 103          2HB       GLU 103  -1.019 -14.680  -8.300
  849   2HB   GLU 103          3HB       GLU 103  -0.541 -13.614  -6.980
  850   1HG   GLU 103          2HG       GLU 103  -2.986 -12.707  -7.103
  851   2HG   GLU 103          3HG       GLU 103  -3.326 -14.085  -8.143
  852    HHA  HEC 104           HHA      HEC 104   5.095   2.896   0.839
  853    HHB  HEC 104           HHB      HEC 104  -0.722   0.358  -0.164
  854    HHC  HEC 104           HHC      HEC 104  -3.089   6.273  -1.380
  855    HHD  HEC 104           HHD      HEC 104   2.861   8.672  -1.061
  856   1HMA  HEC 104          1HMA      HEC 104   0.699  -1.121   1.283
  857   2HMA  HEC 104          2HMA      HEC 104   1.244  -1.382  -0.386
  858   3HMA  HEC 104          3HMA      HEC 104   2.357  -1.642   0.968
  859   1HAA  HEC 104          1HAA      HEC 104   4.134  -0.661   1.740
  860   2HAA  HEC 104          2HAA      HEC 104   4.810   0.923   2.068
  861   1HBA  HEC 104          1HBA      HEC 104   5.731   0.946  -0.288
  862   2HBA  HEC 104          2HBA      HEC 104   5.124  -0.686  -0.492
  863   1HMB  HEC 104          1HMB      HEC 104  -3.598   0.503  -0.242
  864   2HMB  HEC 104          2HMB      HEC 104  -4.047   1.026  -1.874
  865   3HMB  HEC 104          3HMB      HEC 104  -2.499   0.243  -1.618
  866    HAB  HEC 104           HAB      HEC 104  -4.627   4.964  -1.353
  867   1HBB  HEC 104          1HBB      HEC 104  -4.945   4.179   0.862
  868   2HBB  HEC 104          2HBB      HEC 104  -6.407   3.883  -0.098
  869   3HBB  HEC 104          3HBB      HEC 104  -5.305   2.544   0.300
  870   1HMC  HEC 104          1HMC      HEC 104  -3.169   8.700  -1.075
  871   2HMC  HEC 104          2HMC      HEC 104  -2.270   9.920  -1.982
  872   3HMC  HEC 104          3HMC      HEC 104  -2.790   8.423  -2.782
  873    HAC  HEC 104           HAC      HEC 104   1.663   9.920  -2.180
  874   1HBC  HEC 104          1HBC      HEC 104   0.787  10.959  -0.178
  875   2HBC  HEC 104          2HBC      HEC 104   0.745  12.058  -1.569
  876   3HBC  HEC 104          3HBC      HEC 104  -0.752  11.293  -0.996
  877   1HMD  HEC 104          1HMD      HEC 104   5.996   8.125   0.803
  878   2HMD  HEC 104          2HMD      HEC 104   6.118   8.189  -0.971
  879   3HMD  HEC 104          3HMD      HEC 104   4.772   8.963  -0.150
  880   1HAD  HEC 104          1HAD      HEC 104   6.669   4.078   0.050
  881   2HAD  HEC 104          2HAD      HEC 104   6.943   5.277   1.296
  882   1HBD  HEC 104          1HBD      HEC 104   7.127   6.021  -1.645
  883   2HBD  HEC 104          2HBD      HEC 104   8.405   5.040  -0.959
  Start of MODEL    4
    1   1H    THR  -5          H1        THR  -5  -8.192  -8.317  11.393
    2   2H    THR  -5          H2        THR  -5  -7.000  -9.440  11.498
    3   3H    THR  -5          H3        THR  -5  -7.200  -8.309  12.688
    4    HA   THR  -5           HA       THR  -5  -7.981 -10.394  13.464
    5    HB   THR  -5           HB       THR  -5 -10.273  -8.478  12.996
    6    HG1  THR  -5           1HG      THR  -5  -9.373  -7.604  14.942
    7   1HG2  THR  -5          1HG2      THR  -5  -9.642 -10.421  15.281
    8   2HG2  THR  -5          2HG2      THR  -5 -10.976  -9.247  15.252
    9   3HG2  THR  -5          3HG2      THR  -5 -10.972 -10.597  14.111
   10    H    GLU  -4           H        GLU  -4 -10.242  -9.489  10.648
   11    HA   GLU  -4           HA       GLU  -4 -10.300 -12.206   9.895
   12   1HB   GLU  -4          2HB       GLU  -4 -12.250 -12.177  11.529
   13   2HB   GLU  -4          3HB       GLU  -4 -12.999 -10.943  10.497
   14   1HG   GLU  -4          2HG       GLU  -4 -12.544 -12.616   8.526
   15   2HG   GLU  -4          3HG       GLU  -4 -12.183 -13.798   9.769
   16    H    PHE  -3           H        PHE  -3  -9.326 -11.429   8.244
   17    HA   PHE  -3           HA       PHE  -3 -10.202  -9.436   6.332
   18   1HB   PHE  -3          2HB       PHE  -3  -7.976 -10.377   6.164
   19   2HB   PHE  -3          3HB       PHE  -3  -8.622 -11.997   5.923
   20    HD1  PHE  -3           HD1      PHE  -3  -8.071 -12.682   3.725
   21    HD2  PHE  -3           HD2      PHE  -3  -9.459  -8.638   4.358
   22    HE1  PHE  -3           HE1      PHE  -3  -8.151 -12.312   1.282
   23    HE2  PHE  -3           HE2      PHE  -3  -9.649  -8.334   1.928
   24    HZ   PHE  -3           HZ       PHE  -3  -9.021 -10.160   0.375
   25    H    LYS  -2           H        LYS  -2 -12.448  -9.719   6.638
   26    HA   LYS  -2           HA       LYS  -2 -13.921 -11.836   5.243
   27   1HB   LYS  -2          2HB       LYS  -2 -14.771 -10.414   7.157
   28   2HB   LYS  -2          3HB       LYS  -2 -14.839  -9.045   6.061
   29   1HG   LYS  -2          2HG       LYS  -2 -16.940  -9.660   5.579
   30   2HG   LYS  -2          3HG       LYS  -2 -16.285 -11.013   4.660
   31   1HD   LYS  -2          2HD       LYS  -2 -17.022 -11.046   7.622
   32   2HD   LYS  -2          3HD       LYS  -2 -18.041 -11.675   6.320
   33   1HE   LYS  -2          2HE       LYS  -2 -16.470 -13.448   5.815
   34   2HE   LYS  -2          3HE       LYS  -2 -15.220 -12.679   6.810
   35   1HZ   LYS  -2          1HZ       LYS  -2 -17.672 -13.928   7.932
   36   2HZ   LYS  -2          2HZ       LYS  -2 -16.061 -14.371   8.142
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.513 -13.037   8.755
   38    H    ALA  -1           H        ALA  -1 -12.572 -11.805   3.445
   39    HA   ALA  -1           HA       ALA  -1 -12.024  -9.830   1.607
   40   1HB   ALA  -1          1HB       ALA  -1 -12.660 -12.733   0.924
   41   2HB   ALA  -1          2HB       ALA  -1 -11.605 -11.632   0.014
   42   3HB   ALA  -1          3HB       ALA  -1 -11.131 -12.175   1.638
   43    H    GLY   1           H        GLY   1 -12.750  -9.315  -0.503
   44   1HA   GLY   1          1HA       GLY   1 -15.715  -9.603  -0.991
   45   2HA   GLY   1          2HA       GLY   1 -14.911  -8.042  -1.112
   46    H    SER   2           H        SER   2 -14.308  -7.457  -3.087
   47    HA   SER   2           HA       SER   2 -13.778  -9.559  -5.172
   48   1HB   SER   2          2HB       SER   2 -16.063  -8.695  -5.393
   49   2HB   SER   2          3HB       SER   2 -15.415  -7.054  -5.532
   50    HG   SER   2           HG       SER   2 -15.397  -9.162  -7.319
   51    H    ALA   3           H        ALA   3 -11.868  -9.403  -5.998
   52    HA   ALA   3           HA       ALA   3 -10.059  -7.282  -5.745
   53   1HB   ALA   3          1HB       ALA   3 -10.209  -9.371  -7.967
   54   2HB   ALA   3          2HB       ALA   3  -8.784  -8.398  -7.540
   55   3HB   ALA   3          3HB       ALA   3  -9.421  -9.577  -6.381
   56    H    LYS   4           H        LYS   4 -12.653  -7.574  -8.141
   57    HA   LYS   4           HA       LYS   4 -11.597  -5.340  -9.725
   58   1HB   LYS   4          2HB       LYS   4 -12.929  -7.277 -10.694
   59   2HB   LYS   4          3HB       LYS   4 -14.369  -6.576  -9.936
   60   1HG   LYS   4          2HG       LYS   4 -14.098  -4.520 -11.275
   61   2HG   LYS   4          3HG       LYS   4 -12.552  -5.112 -11.912
   62   1HD   LYS   4          2HD       LYS   4 -13.746  -7.004 -13.005
   63   2HD   LYS   4          3HD       LYS   4 -15.291  -6.364 -12.397
   64   1HE   LYS   4          2HE       LYS   4 -14.892  -4.240 -13.625
   65   2HE   LYS   4          3HE       LYS   4 -13.338  -4.858 -14.201
   66   1HZ   LYS   4          1HZ       LYS   4 -15.993  -6.013 -14.864
   67   2HZ   LYS   4          2HZ       LYS   4 -15.043  -5.151 -15.883
   68   3HZ   LYS   4          3HZ       LYS   4 -14.550  -6.626 -15.361
   69    H    LYS   5           H        LYS   5 -13.567  -5.624  -7.089
   70    HA   LYS   5           HA       LYS   5 -14.867  -2.952  -7.211
   71   1HB   LYS   5          2HB       LYS   5 -15.821  -5.010  -6.021
   72   2HB   LYS   5          3HB       LYS   5 -14.634  -4.732  -4.754
   73   1HG   LYS   5          2HG       LYS   5 -16.919  -2.919  -5.631
   74   2HG   LYS   5          3HG       LYS   5 -16.801  -3.870  -4.152
   75   1HD   LYS   5          2HD       LYS   5 -14.692  -2.383  -3.650
   76   2HD   LYS   5          3HD       LYS   5 -15.377  -1.291  -4.860
   77   1HE   LYS   5          2HE       LYS   5 -16.603  -2.243  -2.244
   78   2HE   LYS   5          3HE       LYS   5 -16.067  -0.610  -2.627
   79   1HZ   LYS   5          1HZ       LYS   5 -18.335  -2.056  -3.847
   80   2HZ   LYS   5          2HZ       LYS   5 -18.441  -0.770  -2.824
   81   3HZ   LYS   5          3HZ       LYS   5 -17.827  -0.564  -4.346
   82    H    GLY   6           H        GLY   6 -12.395  -4.466  -5.090
   83   1HA   GLY   6          1HA       GLY   6 -11.213  -2.168  -3.986
   84   2HA   GLY   6          2HA       GLY   6 -10.339  -3.648  -4.372
   85    H    ALA   7           H        ALA   7 -10.390  -3.678  -7.186
   86    HA   ALA   7           HA       ALA   7  -8.531  -1.797  -8.053
   87   1HB   ALA   7          1HB       ALA   7 -10.673  -3.003  -9.852
   88   2HB   ALA   7          2HB       ALA   7  -9.059  -2.441 -10.302
   89   3HB   ALA   7          3HB       ALA   7  -9.247  -3.886  -9.302
   90    H    THR   8           H        THR   8 -12.116  -1.538  -8.606
   91    HA   THR   8           HA       THR   8 -11.948   1.078  -9.756
   92    HB   THR   8           HB       THR   8 -14.390   1.303  -9.160
   93    HG1  THR   8           1HG      THR   8 -13.873  -0.721  -7.542
   94   1HG2  THR   8          1HG2      THR   8 -13.545  -1.229 -10.627
   95   2HG2  THR   8          2HG2      THR   8 -15.109  -0.402 -10.763
   96   3HG2  THR   8          3HG2      THR   8 -13.634   0.405 -11.326
   97    H    LEU   9           H        LEU   9 -11.868   0.242  -6.360
   98    HA   LEU   9           HA       LEU   9 -12.284   2.986  -5.411
   99   1HB   LEU   9          2HB       LEU   9 -11.260   0.424  -4.164
  100   2HB   LEU   9          3HB       LEU   9 -11.121   1.959  -3.312
  101    HG   LEU   9           HG       LEU   9 -13.757   1.019  -4.434
  102   1HD1  LEU   9          1HD1      LEU   9 -12.528   0.430  -1.695
  103   2HD1  LEU   9          2HD1      LEU   9 -14.215   0.139  -2.107
  104   3HD1  LEU   9          3HD1      LEU   9 -12.940  -0.764  -2.948
  105   1HD2  LEU   9          1HD2      LEU   9 -13.650   3.395  -3.707
  106   2HD2  LEU   9          2HD2      LEU   9 -14.691   2.449  -2.632
  107   3HD2  LEU   9          3HD2      LEU   9 -13.059   2.868  -2.108
  108    H    PHE  10           H        PHE  10  -9.476   0.810  -5.556
  109    HA   PHE  10           HA       PHE  10  -7.378   2.516  -4.905
  110   1HB   PHE  10          2HB       PHE  10  -7.102   0.136  -5.158
  111   2HB   PHE  10          3HB       PHE  10  -7.492   0.206  -6.866
  112    HD1  PHE  10           HD1      PHE  10  -5.838   0.819  -8.531
  113    HD2  PHE  10           HD2      PHE  10  -4.896   0.942  -4.331
  114    HE1  PHE  10           HE1      PHE  10  -3.421   0.959  -9.061
  115    HE2  PHE  10           HE2      PHE  10  -2.494   1.269  -4.893
  116    HZ   PHE  10           HZ       PHE  10  -1.748   1.228  -7.258
  117    H    LYS  11           H        LYS  11  -8.867   2.117  -8.078
  118    HA   LYS  11           HA       LYS  11  -7.149   3.584  -9.737
  119   1HB   LYS  11          2HB       LYS  11  -9.020   2.092 -10.367
  120   2HB   LYS  11          3HB       LYS  11 -10.184   3.337  -9.944
  121   1HG   LYS  11          2HG       LYS  11  -7.998   3.868 -12.001
  122   2HG   LYS  11          3HG       LYS  11  -9.393   2.877 -12.412
  123   1HD   LYS  11          2HD       LYS  11 -10.897   4.811 -11.678
  124   2HD   LYS  11          3HD       LYS  11  -9.436   5.795 -11.558
  125   1HE   LYS  11          2HE       LYS  11 -10.419   6.229 -13.689
  126   2HE   LYS  11          3HE       LYS  11  -8.915   5.336 -13.941
  127   1HZ   LYS  11          1HZ       LYS  11 -11.615   4.098 -13.915
  128   2HZ   LYS  11          2HZ       LYS  11 -10.781   4.475 -15.291
  129   3HZ   LYS  11          3HZ       LYS  11 -10.211   3.328 -14.255
  130    H    THR  12           H        THR  12  -9.564   4.955  -7.540
  131    HA   THR  12           HA       THR  12  -8.433   7.671  -8.135
  132    HB   THR  12           HB       THR  12 -10.665   8.596  -7.435
  133    HG1  THR  12           1HG      THR  12 -12.409   7.169  -7.567
  134   1HG2  THR  12          1HG2      THR  12 -10.812   6.825  -9.900
  135   2HG2  THR  12          2HG2      THR  12 -11.744   8.301  -9.577
  136   3HG2  THR  12          3HG2      THR  12  -9.992   8.405  -9.845
  137    H    ARG  13           H        ARG  13  -8.801   5.375  -5.669
  138    HA   ARG  13           HA       ARG  13  -8.450   7.397  -3.570
  139   1HB   ARG  13          2HB       ARG  13  -8.164   4.346  -3.566
  140   2HB   ARG  13          3HB       ARG  13  -7.996   5.319  -2.117
  141   1HG   ARG  13          2HG       ARG  13 -10.577   5.180  -3.749
  142   2HG   ARG  13          3HG       ARG  13 -10.164   4.115  -2.402
  143   1HD   ARG  13          2HD       ARG  13  -9.780   6.456  -1.159
  144   2HD   ARG  13          3HD       ARG  13 -10.909   7.016  -2.405
  145    HE   ARG  13           HE       ARG  13 -11.911   4.609  -1.147
  146   1HH1  ARG  13          1HH2      ARG  13 -11.633   8.022  -0.492
  147   2HH1  ARG  13          2HH2      ARG  13 -12.866   7.975   0.725
  148   1HH2  ARG  13          1HH1      ARG  13 -13.297   4.546   0.556
  149   2HH2  ARG  13          2HH1      ARG  13 -13.730   6.045   1.340
  150    H    CYS  14           H        CYS  14  -6.310   5.085  -5.223
  151    HA   CYS  14           HA       CYS  14  -3.994   6.111  -3.619
  152   1HB   CYS  14          2HB       CYS  14  -4.241   3.417  -4.861
  153   2HB   CYS  14          3HB       CYS  14  -3.148   3.886  -3.585
  154    H    LEU  15           H        LEU  15  -5.004   4.924  -6.864
  155    HA   LEU  15           HA       LEU  15  -2.520   4.744  -8.046
  156   1HB   LEU  15          2HB       LEU  15  -4.758   3.956  -8.913
  157   2HB   LEU  15          3HB       LEU  15  -5.089   5.622  -9.386
  158    HG   LEU  15           HG       LEU  15  -2.907   5.451 -10.810
  159   1HD1  LEU  15          1HD1      LEU  15  -3.513   2.483 -10.647
  160   2HD1  LEU  15          2HD1      LEU  15  -2.192   3.288 -11.517
  161   3HD1  LEU  15          3HD1      LEU  15  -2.182   3.239  -9.746
  162   1HD2  LEU  15          1HD2      LEU  15  -5.159   5.543 -11.765
  163   2HD2  LEU  15          2HD2      LEU  15  -4.109   4.442 -12.677
  164   3HD2  LEU  15          3HD2      LEU  15  -5.329   3.784 -11.562
  165    H    GLN  16           H        GLN  16  -4.281   7.696  -7.400
  166    HA   GLN  16           HA       GLN  16  -2.936   9.588  -8.969
  167   1HB   GLN  16          2HB       GLN  16  -3.485  11.201  -7.239
  168   2HB   GLN  16          3HB       GLN  16  -4.837  10.128  -7.568
  169   1HG   GLN  16          2HG       GLN  16  -4.236   8.801  -5.500
  170   2HG   GLN  16          3HG       GLN  16  -2.977   9.998  -5.160
  171   1HE2  GLN  16          2HE2      GLN  16  -5.688   9.231  -3.638
  172   2HE2  GLN  16          1HE2      GLN  16  -6.288  10.887  -3.487
  173    H    CYS  17           H        CYS  17  -1.614   7.774  -6.260
  174    HA   CYS  17           HA       CYS  17   0.987   9.244  -6.489
  175   1HB   CYS  17          2HB       CYS  17  -0.243   7.720  -4.195
  176   2HB   CYS  17          3HB       CYS  17   1.382   8.359  -4.188
  177    H    HIS  18           H        HIS  18  -0.476   6.148  -7.006
  178    HA   HIS  18           HA       HIS  18   2.150   4.707  -6.899
  179   1HB   HIS  18          1HB       HIS  18  -0.602   4.001  -5.795
  180   2HB   HIS  18          2HB       HIS  18   0.589   2.758  -6.133
  181    HD1  HIS  18           HD1      HIS  18   3.172   3.585  -4.975
  182    HD2  HIS  18           HD2      HIS  18  -0.549   4.463  -3.240
  183    HE1  HIS  18           HE1      HIS  18   3.602   3.900  -2.481
  184    H    THR  19           H        THR  19   2.048   2.538  -7.915
  185    HA   THR  19           HA       THR  19   0.247   2.344 -10.296
  186    HB   THR  19           HB       THR  19   2.067   1.291 -11.511
  187    HG1  THR  19           1HG      THR  19   3.365   0.651  -9.781
  188   1HG2  THR  19          1HG2      THR  19   2.872   4.061 -10.535
  189   2HG2  THR  19          2HG2      THR  19   3.319   3.294 -12.061
  190   3HG2  THR  19          3HG2      THR  19   1.626   3.737 -11.765
  191    H    VAL  20           H        VAL  20  -0.094   0.221 -11.058
  192    HA   VAL  20           HA       VAL  20   0.068  -1.907  -8.969
  193    HB   VAL  20           HB       VAL  20  -2.202  -1.030  -9.491
  194   1HG1  VAL  20          1HG1      VAL  20  -1.915  -2.402 -12.193
  195   2HG1  VAL  20          2HG1      VAL  20  -3.334  -1.575 -11.548
  196   3HG1  VAL  20          3HG1      VAL  20  -1.895  -0.636 -11.955
  197   1HG2  VAL  20          1HG2      VAL  20  -1.989  -3.189  -8.519
  198   2HG2  VAL  20          2HG2      VAL  20  -3.242  -3.298  -9.760
  199   3HG2  VAL  20          3HG2      VAL  20  -1.659  -3.960 -10.094
  200    H    GLU  21           H        GLU  21   0.657  -1.187 -12.366
  201    HA   GLU  21           HA       GLU  21   1.039  -3.945 -13.093
  202   1HB   GLU  21          2HB       GLU  21   1.987  -1.552 -14.658
  203   2HB   GLU  21          3HB       GLU  21   1.599  -3.136 -15.287
  204   1HG   GLU  21          2HG       GLU  21  -0.486  -1.239 -14.107
  205   2HG   GLU  21          3HG       GLU  21  -0.060  -1.334 -15.806
  206    H    LYS  22           H        LYS  22   2.922  -4.828 -14.113
  207    HA   LYS  22           HA       LYS  22   5.343  -4.558 -12.581
  208   1HB   LYS  22          2HB       LYS  22   4.134  -6.546 -13.937
  209   2HB   LYS  22          3HB       LYS  22   5.240  -6.046 -15.214
  210   1HG   LYS  22          2HG       LYS  22   7.166  -6.505 -13.804
  211   2HG   LYS  22          3HG       LYS  22   6.150  -6.645 -12.362
  212   1HD   LYS  22          2HD       LYS  22   4.925  -8.564 -13.562
  213   2HD   LYS  22          3HD       LYS  22   6.204  -8.509 -14.752
  214   1HE   LYS  22          2HE       LYS  22   6.368  -9.082 -11.743
  215   2HE   LYS  22          3HE       LYS  22   6.552 -10.277 -13.018
  216   1HZ   LYS  22          1HZ       LYS  22   8.416  -8.020 -12.520
  217   2HZ   LYS  22          2HZ       LYS  22   8.684  -9.569 -12.060
  218   3HZ   LYS  22          3HZ       LYS  22   8.628  -9.192 -13.661
  219    H    GLY  23           H        GLY  23   6.708  -2.917 -12.826
  220   1HA   GLY  23          1HA       GLY  23   8.380  -1.662 -14.091
  221   2HA   GLY  23          2HA       GLY  23   7.427  -1.874 -15.552
  222    H    GLY  24           H        GLY  24   5.154  -1.111 -13.264
  223   1HA   GLY  24          1HA       GLY  24   4.500   1.478 -13.881
  224   2HA   GLY  24          2HA       GLY  24   4.249   0.730 -12.313
  225    HA   PRO  25           HA       PRO  25   8.177   3.587 -12.317
  226   1HB   PRO  25          2HB       PRO  25   7.581   6.181 -12.992
  227   2HB   PRO  25          3HB       PRO  25   8.079   4.934 -14.176
  228   1HG   PRO  25          2HG       PRO  25   5.257   5.794 -13.457
  229   2HG   PRO  25          3HG       PRO  25   5.978   5.626 -15.093
  230   1HD   PRO  25          2HD       PRO  25   4.477   3.654 -14.014
  231   2HD   PRO  25          3HD       PRO  25   5.942   3.257 -14.960
  232    H    HIS  26           H        HIS  26   8.797   4.459 -10.489
  233    HA   HIS  26           HA       HIS  26   7.058   4.714  -8.237
  234   1HB   HIS  26          2HB       HIS  26   9.991   5.456  -8.541
  235   2HB   HIS  26          3HB       HIS  26   9.130   5.090  -7.044
  236    HD1  HIS  26           HD1      HIS  26   7.787   2.295  -8.110
  237    HD2  HIS  26           HD2      HIS  26  11.782   3.552  -8.529
  238    HE1  HIS  26           HE1      HIS  26   9.275   0.185  -8.065
  239    H    LYS  27           H        LYS  27   5.670   6.383  -8.922
  240    HA   LYS  27           HA       LYS  27   6.527   9.026  -9.651
  241   1HB   LYS  27          2HB       LYS  27   4.461   7.880 -10.428
  242   2HB   LYS  27          3HB       LYS  27   3.793   7.975  -8.803
  243   1HG   LYS  27          2HG       LYS  27   4.065  10.567  -9.044
  244   2HG   LYS  27          3HG       LYS  27   4.364  10.242 -10.759
  245   1HD   LYS  27          2HD       LYS  27   2.175   9.070 -10.907
  246   2HD   LYS  27          3HD       LYS  27   1.912   9.346  -9.170
  247   1HE   LYS  27          2HE       LYS  27   2.072  11.817  -9.578
  248   2HE   LYS  27          3HE       LYS  27   2.176  11.492 -11.322
  249   1HZ   LYS  27          1HZ       LYS  27  -0.050  10.721  -9.518
  250   2HZ   LYS  27          2HZ       LYS  27  -0.120  11.931 -10.622
  251   3HZ   LYS  27          3HZ       LYS  27   0.005  10.357 -11.116
  252    H    VAL  28           H        VAL  28   4.217   8.655  -7.001
  253    HA   VAL  28           HA       VAL  28   5.667  10.797  -5.468
  254    HB   VAL  28           HB       VAL  28   2.944   9.594  -4.887
  255   1HG1  VAL  28          1HG1      VAL  28   4.315  12.084  -3.787
  256   2HG1  VAL  28          2HG1      VAL  28   2.657  11.567  -3.416
  257   3HG1  VAL  28          3HG1      VAL  28   4.025  10.581  -2.892
  258   1HG2  VAL  28          1HG2      VAL  28   2.810  10.852  -6.996
  259   2HG2  VAL  28          2HG2      VAL  28   1.982  11.719  -5.700
  260   3HG2  VAL  28          3HG2      VAL  28   3.599  12.244  -6.223
  261    H    GLY  29           H        GLY  29   4.259   7.553  -5.193
  262   1HA   GLY  29          1HA       GLY  29   6.335   6.776  -3.194
  263   2HA   GLY  29          2HA       GLY  29   4.707   6.075  -3.259
  264    HA   PRO  30           HA       PRO  30   7.695   3.581  -5.916
  265   1HB   PRO  30          2HB       PRO  30   7.704   1.241  -4.515
  266   2HB   PRO  30          3HB       PRO  30   8.697   2.647  -4.012
  267   1HG   PRO  30          2HG       PRO  30   5.923   1.872  -3.022
  268   2HG   PRO  30          3HG       PRO  30   7.393   2.182  -2.052
  269   1HD   PRO  30          2HD       PRO  30   5.573   4.128  -2.462
  270   2HD   PRO  30          3HD       PRO  30   7.295   4.507  -2.456
  271    H    ASN  31           H        ASN  31   7.158   1.105  -6.548
  272    HA   ASN  31           HA       ASN  31   4.393   1.008  -7.619
  273   1HB   ASN  31          2HB       ASN  31   6.529   0.404  -8.944
  274   2HB   ASN  31          3HB       ASN  31   6.630  -1.047  -7.925
  275   1HD2  ASN  31          2HD2      ASN  31   6.462  -1.312 -10.656
  276   2HD2  ASN  31          1HD2      ASN  31   4.794  -1.864 -11.040
  277    H    LEU  32           H        LEU  32   3.169  -1.068  -7.231
  278    HA   LEU  32           HA       LEU  32   3.573  -2.172  -4.475
  279   1HB   LEU  32          2HB       LEU  32   0.986  -1.668  -5.969
  280   2HB   LEU  32          3HB       LEU  32   1.160  -2.300  -4.336
  281    HG   LEU  32           HG       LEU  32   1.993   0.508  -5.211
  282   1HD1  LEU  32          1HD1      LEU  32  -0.401  -0.358  -3.553
  283   2HD1  LEU  32          2HD1      LEU  32   0.049   1.292  -4.018
  284   3HD1  LEU  32          3HD1      LEU  32  -0.447   0.132  -5.267
  285   1HD2  LEU  32          1HD2      LEU  32   3.302  -0.254  -3.261
  286   2HD2  LEU  32          2HD2      LEU  32   2.141   0.993  -2.793
  287   3HD2  LEU  32          3HD2      LEU  32   1.807  -0.715  -2.427
  288    H    HIS  33           H        HIS  33   3.427  -3.072  -7.768
  289    HA   HIS  33           HA       HIS  33   2.580  -5.816  -7.617
  290   1HB   HIS  33          2HB       HIS  33   2.896  -4.410  -9.689
  291   2HB   HIS  33          3HB       HIS  33   4.626  -4.521  -9.475
  292    HD1  HIS  33           HD1      HIS  33   1.583  -6.756 -10.242
  293    HD2  HIS  33           HD2      HIS  33   5.766  -6.950  -9.900
  294    HE1  HIS  33           HE1      HIS  33   2.282  -8.945 -11.336
  295    H    GLY  34           H        GLY  34   3.450  -6.956  -6.007
  296   1HA   GLY  34          1HA       GLY  34   5.071  -8.691  -5.495
  297   2HA   GLY  34          2HA       GLY  34   6.329  -7.743  -6.259
  298    H    ILE  35           H        ILE  35   4.524  -5.787  -4.116
  299    HA   ILE  35           HA       ILE  35   6.739  -5.648  -2.243
  300    HB   ILE  35           HB       ILE  35   5.413  -4.049  -0.985
  301   1HG1  ILE  35          2HG1      ILE  35   3.199  -3.290  -2.285
  302   2HG1  ILE  35          3HG1      ILE  35   3.116  -5.001  -2.695
  303   1HG2  ILE  35          1HG2      ILE  35   5.353  -3.560  -3.988
  304   2HG2  ILE  35          2HG2      ILE  35   5.295  -2.323  -2.711
  305   3HG2  ILE  35          3HG2      ILE  35   6.732  -3.325  -2.898
  306   1HD1  ILE  35          1HD1      ILE  35   3.234  -3.847   0.121
  307   2HD1  ILE  35          2HD1      ILE  35   1.802  -4.468  -0.728
  308   3HD1  ILE  35          3HD1      ILE  35   3.093  -5.571  -0.279
  309    H    PHE  36           H        PHE  36   3.927  -7.742  -2.286
  310    HA   PHE  36           HA       PHE  36   3.659  -8.097   0.530
  311   1HB   PHE  36          2HB       PHE  36   2.768  -9.660  -1.895
  312   2HB   PHE  36          3HB       PHE  36   2.574 -10.307  -0.282
  313    HD1  PHE  36           HD1      PHE  36   1.562  -7.399  -2.437
  314    HD2  PHE  36           HD2      PHE  36   0.903  -9.579   1.231
  315    HE1  PHE  36           HE1      PHE  36  -0.573  -6.216  -2.112
  316    HE2  PHE  36           HE2      PHE  36  -1.207  -8.337   1.581
  317    HZ   PHE  36           HZ       PHE  36  -1.965  -6.671  -0.083
  318    H    GLY  37           H        GLY  37   4.366  -9.591   1.793
  319   1HA   GLY  37          1HA       GLY  37   5.892 -11.079   2.812
  320   2HA   GLY  37          2HA       GLY  37   6.267 -11.738   1.223
  321    H    ARG  38           H        ARG  38   6.890  -8.653   0.588
  322    HA   ARG  38           HA       ARG  38   9.721  -8.656   1.308
  323   1HB   ARG  38          2HB       ARG  38   8.354  -7.432  -0.703
  324   2HB   ARG  38          3HB       ARG  38   8.241  -6.147   0.486
  325   1HG   ARG  38          2HG       ARG  38  10.094  -5.588  -0.760
  326   2HG   ARG  38          3HG       ARG  38  10.799  -6.321   0.686
  327   1HD   ARG  38          2HD       ARG  38  10.471  -8.526  -0.913
  328   2HD   ARG  38          3HD       ARG  38  10.660  -7.266  -2.141
  329    HE   ARG  38           HE       ARG  38  12.757  -6.683  -0.536
  330   1HH1  ARG  38          1HH2      ARG  38  11.842  -9.824  -1.725
  331   2HH1  ARG  38          2HH2      ARG  38  13.374 -10.542  -1.289
  332   1HH2  ARG  38          1HH1      ARG  38  14.575  -7.518  -0.064
  333   2HH2  ARG  38          2HH1      ARG  38  15.000  -9.199  -0.379
  334    H    HIS  39           H        HIS  39  10.555  -6.888   2.414
  335    HA   HIS  39           HA       HIS  39   9.071  -6.024   4.856
  336   1HB   HIS  39          2HB       HIS  39  12.057  -6.160   4.292
  337   2HB   HIS  39          3HB       HIS  39  11.329  -5.364   5.690
  338    HD1  HIS  39           HD1      HIS  39  11.307  -8.990   4.199
  339    HD2  HIS  39           HD2      HIS  39  10.881  -6.804   7.752
  340    HE1  HIS  39           HE1      HIS  39  11.256 -10.703   6.091
  341    H    SER  40           H        SER  40   8.666  -3.862   4.981
  342    HA   SER  40           HA       SER  40   8.460  -2.323   2.760
  343   1HB   SER  40          2HB       SER  40   7.864  -0.477   4.157
  344   2HB   SER  40          3HB       SER  40   7.317  -1.965   4.927
  345    HG   SER  40           HG       SER  40   9.178  -0.096   5.696
  346    H    GLY  41           H        GLY  41   9.265  -0.406   1.988
  347   1HA   GLY  41          1HA       GLY  41  10.961   1.173   1.489
  348   2HA   GLY  41          2HA       GLY  41  12.007   0.443   2.682
  349    H    GLN  42           H        GLN  42  10.663  -1.580   0.102
  350    HA   GLN  42           HA       GLN  42  13.404  -1.800  -1.091
  351   1HB   GLN  42          2HB       GLN  42  11.627  -4.041  -0.108
  352   2HB   GLN  42          3HB       GLN  42  13.102  -4.261  -1.069
  353   1HG   GLN  42          2HG       GLN  42  14.374  -3.016   0.704
  354   2HG   GLN  42          3HG       GLN  42  12.910  -3.016   1.698
  355   1HE2  GLN  42          2HE2      GLN  42  13.747  -4.253   3.341
  356   2HE2  GLN  42          1HE2      GLN  42  14.266  -5.932   3.138
  357    H    ALA  43           H        ALA  43  11.751  -0.293  -2.441
  358    HA   ALA  43           HA       ALA  43  10.984  -1.821  -4.864
  359   1HB   ALA  43          1HB       ALA  43  11.077   1.146  -4.190
  360   2HB   ALA  43          2HB       ALA  43  10.569   0.497  -5.764
  361   3HB   ALA  43          3HB       ALA  43   9.649   0.097  -4.307
  362    H    GLU  44           H        GLU  44  11.960  -0.682  -6.967
  363    HA   GLU  44           HA       GLU  44  14.670  -1.623  -7.162
  364   1HB   GLU  44          2HB       GLU  44  12.916  -0.109  -9.132
  365   2HB   GLU  44          3HB       GLU  44  14.482  -0.799  -9.526
  366   1HG   GLU  44          2HG       GLU  44  12.079  -2.391  -8.534
  367   2HG   GLU  44          3HG       GLU  44  12.511  -2.164 -10.224
  368    H    GLY  45           H        GLY  45  15.717  -0.278  -5.594
  369   1HA   GLY  45          1HA       GLY  45  17.380   1.302  -5.139
  370   2HA   GLY  45          2HA       GLY  45  17.247   1.886  -6.798
  371    H    TYR  46           H        TYR  46  14.199   2.207  -5.880
  372    HA   TYR  46           HA       TYR  46  14.231   5.039  -5.393
  373   1HB   TYR  46          2HB       TYR  46  12.401   3.802  -6.472
  374   2HB   TYR  46          3HB       TYR  46  11.999   3.046  -4.952
  375    HD1  TYR  46           HD1      TYR  46  11.733   6.136  -6.948
  376    HD2  TYR  46           HD2      TYR  46  11.336   4.445  -3.027
  377    HE1  TYR  46           HE1      TYR  46  10.385   8.107  -6.260
  378    HE2  TYR  46           HE2      TYR  46   9.993   6.426  -2.295
  379    HH   TYR  46           HH       TYR  46   8.931   8.922  -4.515
  380    H    SER  47           H        SER  47  14.367   6.234  -3.648
  381    HA   SER  47           HA       SER  47  14.772   4.914  -1.006
  382   1HB   SER  47          2HB       SER  47  15.593   7.623  -2.092
  383   2HB   SER  47          3HB       SER  47  15.798   7.127  -0.397
  384    HG   SER  47           HG       SER  47  16.779   5.588  -2.582
  385    H    TYR  48           H        TYR  48  13.578   5.287   0.705
  386    HA   TYR  48           HA       TYR  48  10.891   6.351   0.224
  387   1HB   TYR  48          2HB       TYR  48  12.206   4.416   2.164
  388   2HB   TYR  48          3HB       TYR  48  10.549   4.940   2.365
  389    HD1  TYR  48           HD1      TYR  48   8.848   3.770   1.483
  390    HD2  TYR  48           HD2      TYR  48  12.752   3.401  -0.349
  391    HE1  TYR  48           HE1      TYR  48   8.036   1.939   0.070
  392    HE2  TYR  48           HE2      TYR  48  11.875   1.654  -1.843
  393    HH   TYR  48           HH       TYR  48   8.831   0.046  -1.224
  394    H    THR  49           H        THR  49  11.376   6.097   3.459
  395    HA   THR  49           HA       THR  49  12.470   8.761   4.112
  396    HB   THR  49           HB       THR  49  10.926   8.809   6.082
  397    HG1  THR  49           1HG      THR  49   9.365   6.879   4.677
  398   1HG2  THR  49          1HG2      THR  49   9.579   8.865   3.386
  399   2HG2  THR  49          2HG2      THR  49   8.938   9.606   4.883
  400   3HG2  THR  49          3HG2      THR  49  10.440  10.205   4.158
  401    H    ASP  50           H        ASP  50  13.661   8.720   6.131
  402    HA   ASP  50           HA       ASP  50  14.960   6.300   6.791
  403   1HB   ASP  50          2HB       ASP  50  15.812   8.580   7.195
  404   2HB   ASP  50          3HB       ASP  50  14.568   8.820   8.440
  405    H    ALA  51           H        ALA  51  12.172   7.846   8.408
  406    HA   ALA  51           HA       ALA  51  11.777   6.059  10.523
  407   1HB   ALA  51          1HB       ALA  51   9.709   7.623   8.915
  408   2HB   ALA  51          2HB       ALA  51   9.465   6.940  10.535
  409   3HB   ALA  51          3HB       ALA  51  10.653   8.233  10.296
  410    H    ASN  52           H        ASN  52  10.727   5.591   7.143
  411    HA   ASN  52           HA       ASN  52   9.176   3.180   7.654
  412   1HB   ASN  52          2HB       ASN  52   8.961   4.684   5.684
  413   2HB   ASN  52          3HB       ASN  52  10.555   4.181   5.117
  414   1HD2  ASN  52          2HD2      ASN  52   8.059   4.019   3.777
  415   2HD2  ASN  52          1HD2      ASN  52   7.807   2.266   3.438
  416    H    ILE  53           H        ILE  53  12.555   3.790   6.686
  417    HA   ILE  53           HA       ILE  53  13.352   1.051   6.447
  418    HB   ILE  53           HB       ILE  53  14.919   3.499   7.172
  419   1HG1  ILE  53          2HG1      ILE  53  14.665   2.149   4.424
  420   2HG1  ILE  53          3HG1      ILE  53  13.650   3.492   4.902
  421   1HG2  ILE  53          1HG2      ILE  53  15.921   0.813   6.122
  422   2HG2  ILE  53          2HG2      ILE  53  16.935   2.259   6.318
  423   3HG2  ILE  53          3HG2      ILE  53  16.229   1.484   7.732
  424   1HD1  ILE  53          1HD1      ILE  53  16.657   3.610   4.528
  425   2HD1  ILE  53          2HD1      ILE  53  15.396   4.356   3.535
  426   3HD1  ILE  53          3HD1      ILE  53  15.665   4.932   5.189
  427    H    LYS  54           H        LYS  54  13.540   3.277   9.404
  428    HA   LYS  54           HA       LYS  54  14.469   1.230  11.168
  429   1HB   LYS  54          2HB       LYS  54  12.508   3.381  11.948
  430   2HB   LYS  54          3HB       LYS  54  13.703   2.558  12.960
  431   1HG   LYS  54          2HG       LYS  54  14.168   4.558  10.762
  432   2HG   LYS  54          3HG       LYS  54  14.403   4.764  12.448
  433   1HD   LYS  54          2HD       LYS  54  16.396   3.304  12.450
  434   2HD   LYS  54          3HD       LYS  54  16.106   2.923  10.719
  435   1HE   LYS  54          2HE       LYS  54  15.920   5.440  10.391
  436   2HE   LYS  54          3HE       LYS  54  16.687   5.674  11.939
  437   1HZ   LYS  54          1HZ       LYS  54  17.898   4.128   9.716
  438   2HZ   LYS  54          2HZ       LYS  54  17.951   5.740   9.794
  439   3HZ   LYS  54          3HZ       LYS  54  18.695   4.854  10.998
  440    H    LYS  55           H        LYS  55  11.609   1.293   9.507
  441    HA   LYS  55           HA       LYS  55  10.036  -0.227  11.551
  442   1HB   LYS  55          2HB       LYS  55   9.078   1.670   9.855
  443   2HB   LYS  55          3HB       LYS  55   8.889   0.263   8.808
  444   1HG   LYS  55          2HG       LYS  55   6.840   0.375   9.939
  445   2HG   LYS  55          3HG       LYS  55   7.721  -0.876  10.826
  446   1HD   LYS  55          2HD       LYS  55   8.473   1.049  12.423
  447   2HD   LYS  55          3HD       LYS  55   7.270   2.043  11.582
  448   1HE   LYS  55          2HE       LYS  55   5.575   0.203  12.146
  449   2HE   LYS  55          3HE       LYS  55   6.819  -0.518  13.177
  450   1HZ   LYS  55          1HZ       LYS  55   5.659   2.195  13.384
  451   2HZ   LYS  55          2HZ       LYS  55   5.368   0.965  14.431
  452   3HZ   LYS  55          3HZ       LYS  55   6.877   1.647  14.357
  453    H    ASN  56           H        ASN  56  11.257  -0.681   8.280
  454    HA   ASN  56           HA       ASN  56  10.918  -2.458   6.792
  455   1HB   ASN  56          2HB       ASN  56  12.713  -3.484   8.991
  456   2HB   ASN  56          3HB       ASN  56  12.347  -4.467   7.593
  457   1HD2  ASN  56          2HD2      ASN  56  12.418  -2.196   5.481
  458   2HD2  ASN  56          1HD2      ASN  56  14.122  -1.792   5.616
  459    H    VAL  57           H        VAL  57   8.589  -2.329   7.266
  460    HA   VAL  57           HA       VAL  57   7.569  -4.539   8.927
  461    HB   VAL  57           HB       VAL  57   6.537  -2.040   8.435
  462   1HG1  VAL  57          1HG1      VAL  57   4.703  -3.941   6.913
  463   2HG1  VAL  57          2HG1      VAL  57   4.410  -2.244   7.330
  464   3HG1  VAL  57          3HG1      VAL  57   5.683  -2.655   6.182
  465   1HG2  VAL  57          1HG2      VAL  57   6.048  -3.273  10.366
  466   2HG2  VAL  57          2HG2      VAL  57   4.488  -3.075   9.538
  467   3HG2  VAL  57          3HG2      VAL  57   5.357  -4.626   9.457
  468    H    LEU  58           H        LEU  58   6.954  -6.446   8.423
  469    HA   LEU  58           HA       LEU  58   7.312  -7.300   5.707
  470   1HB   LEU  58          2HB       LEU  58   7.658  -8.605   7.915
  471   2HB   LEU  58          3HB       LEU  58   5.943  -9.005   7.789
  472    HG   LEU  58           HG       LEU  58   7.843  -9.412   5.417
  473   1HD1  LEU  58          1HD1      LEU  58   7.321 -11.393   7.671
  474   2HD1  LEU  58          2HD1      LEU  58   8.271 -11.694   6.198
  475   3HD1  LEU  58          3HD1      LEU  58   8.848 -10.528   7.407
  476   1HD2  LEU  58          1HD2      LEU  58   5.446  -9.722   4.954
  477   2HD2  LEU  58          2HD2      LEU  58   6.275 -11.291   4.937
  478   3HD2  LEU  58          3HD2      LEU  58   5.314 -10.820   6.335
  479    H    TRP  59           H        TRP  59   5.979  -6.882   4.217
  480    HA   TRP  59           HA       TRP  59   3.234  -6.067   4.542
  481   1HB   TRP  59          2HB       TRP  59   4.833  -6.724   2.088
  482   2HB   TRP  59          3HB       TRP  59   3.187  -6.085   2.032
  483    HD1  TRP  59           HD1      TRP  59   6.365  -4.785   1.431
  484    HE1  TRP  59           HE1      TRP  59   6.582  -2.222   2.008
  485    HE3  TRP  59           HE3      TRP  59   2.259  -4.224   4.461
  486    HZ2  TRP  59           HZ2      TRP  59   5.444  -0.443   3.820
  487    HZ3  TRP  59           HZ3      TRP  59   1.904  -2.159   5.672
  488    HH2  TRP  59           HH2      TRP  59   3.483  -0.206   5.382
  489    H    ASP  60           H        ASP  60   2.586  -7.884   5.808
  490    HA   ASP  60           HA       ASP  60   1.386 -10.169   4.348
  491   1HB   ASP  60          2HB       ASP  60   0.968  -9.211   7.212
  492   2HB   ASP  60          3HB       ASP  60   0.466 -10.756   6.537
  493    H    GLU  61           H        GLU  61  -0.941 -10.488   4.299
  494    HA   GLU  61           HA       GLU  61  -2.515  -8.366   3.359
  495   1HB   GLU  61          2HB       GLU  61  -3.237 -11.091   4.476
  496   2HB   GLU  61          3HB       GLU  61  -4.490  -9.973   3.916
  497   1HG   GLU  61          2HG       GLU  61  -3.662  -9.926   1.689
  498   2HG   GLU  61          3HG       GLU  61  -2.118 -10.624   2.150
  499    H    ASN  62           H        ASN  62  -2.731  -9.656   6.742
  500    HA   ASN  62           HA       ASN  62  -4.565  -7.484   7.474
  501   1HB   ASN  62          2HB       ASN  62  -3.287  -9.803   8.927
  502   2HB   ASN  62          3HB       ASN  62  -3.838  -8.411   9.853
  503   1HD2  ASN  62          2HD2      ASN  62  -5.340  -9.617   6.867
  504   2HD2  ASN  62          1HD2      ASN  62  -6.861 -10.011   7.672
  505    H    ASN  63           H        ASN  63  -1.001  -7.967   7.953
  506    HA   ASN  63           HA       ASN  63  -0.862  -5.640   9.674
  507   1HB   ASN  63          2HB       ASN  63   0.795  -7.494   9.687
  508   2HB   ASN  63          3HB       ASN  63   1.303  -7.041   8.047
  509   1HD2  ASN  63          2HD2      ASN  63   3.216  -6.017   8.162
  510   2HD2  ASN  63          1HD2      ASN  63   3.548  -4.735   9.328
  511    H    MET  64           H        MET  64  -0.568  -6.020   6.138
  512    HA   MET  64           HA       MET  64  -0.113  -3.269   5.474
  513   1HB   MET  64          2HB       MET  64  -0.026  -4.789   3.659
  514   2HB   MET  64          3HB       MET  64  -1.542  -5.544   4.128
  515   1HG   MET  64          2HG       MET  64  -2.826  -3.596   3.476
  516   2HG   MET  64          3HG       MET  64  -1.346  -2.705   3.094
  517   1HE   MET  64          1HE       MET  64   0.422  -4.453   1.299
  518   2HE   MET  64          2HE       MET  64  -0.279  -4.001  -0.275
  519   3HE   MET  64          3HE       MET  64  -0.129  -2.783   1.010
  520    H    SER  65           H        SER  65  -3.200  -4.979   6.289
  521    HA   SER  65           HA       SER  65  -4.893  -2.737   5.790
  522   1HB   SER  65          2HB       SER  65  -5.654  -5.125   6.194
  523   2HB   SER  65          3HB       SER  65  -5.373  -4.874   7.922
  524    HG   SER  65           HG       SER  65  -6.997  -3.525   8.049
  525    H    GLU  66           H        GLU  66  -3.594  -3.838   8.967
  526    HA   GLU  66           HA       GLU  66  -4.312  -1.654  10.545
  527   1HB   GLU  66          2HB       GLU  66  -2.301  -3.861  10.589
  528   2HB   GLU  66          3HB       GLU  66  -1.882  -2.476  11.561
  529   1HG   GLU  66          2HG       GLU  66  -3.072  -4.099  12.905
  530   2HG   GLU  66          3HG       GLU  66  -3.954  -2.586  12.811
  531    H    TYR  67           H        TYR  67  -1.241  -1.937   8.640
  532    HA   TYR  67           HA       TYR  67  -0.250   0.689   9.109
  533   1HB   TYR  67          2HB       TYR  67   1.153  -0.930   8.039
  534   2HB   TYR  67          3HB       TYR  67  -0.010  -1.205   6.754
  535    HD1  TYR  67           HD1      TYR  67   0.300  -0.102   4.663
  536    HD2  TYR  67           HD2      TYR  67   2.012   1.521   8.243
  537    HE1  TYR  67           HE1      TYR  67   1.461   1.646   3.301
  538    HE2  TYR  67           HE2      TYR  67   3.100   3.358   6.897
  539    HH   TYR  67           HH       TYR  67   3.267   3.213   3.438
  540    H    LEU  68           H        LEU  68  -2.358  -0.373   6.412
  541    HA   LEU  68           HA       LEU  68  -2.426   2.187   5.127
  542   1HB   LEU  68          2HB       LEU  68  -4.353  -0.174   5.021
  543   2HB   LEU  68          3HB       LEU  68  -4.483   1.246   3.989
  544    HG   LEU  68           HG       LEU  68  -2.128  -0.650   3.916
  545   1HD1  LEU  68          1HD1      LEU  68  -4.532  -0.324   2.072
  546   2HD1  LEU  68          2HD1      LEU  68  -3.131  -1.375   1.781
  547   3HD1  LEU  68          3HD1      LEU  68  -4.209  -1.707   3.143
  548   1HD2  LEU  68          1HD2      LEU  68  -1.518   1.609   3.168
  549   2HD2  LEU  68          2HD2      LEU  68  -1.599   0.480   1.821
  550   3HD2  LEU  68          3HD2      LEU  68  -2.923   1.641   2.072
  551    H    THR  69           H        THR  69  -4.428   0.876   7.717
  552    HA   THR  69           HA       THR  69  -6.533   2.853   7.585
  553    HB   THR  69           HB       THR  69  -5.721   0.979   9.749
  554    HG1  THR  69           1HG      THR  69  -7.221  -0.239   8.822
  555   1HG2  THR  69          1HG2      THR  69  -8.296   2.602   9.444
  556   2HG2  THR  69          2HG2      THR  69  -8.059   1.265  10.588
  557   3HG2  THR  69          3HG2      THR  69  -7.122   2.753  10.779
  558    H    ASN  70           H        ASN  70  -3.421   2.863   9.307
  559    HA   ASN  70           HA       ASN  70  -3.733   5.759   9.475
  560   1HB   ASN  70          2HB       ASN  70  -4.723   4.839  11.633
  561   2HB   ASN  70          3HB       ASN  70  -3.086   4.353  12.082
  562   1HD2  ASN  70          2HD2      ASN  70  -5.148   6.579  12.954
  563   2HD2  ASN  70          1HD2      ASN  70  -4.094   7.995  13.027
  564    HA   PRO  71           HA       PRO  71   0.430   4.044   8.296
  565   1HB   PRO  71          2HB       PRO  71   0.920   5.725   6.156
  566   2HB   PRO  71          3HB       PRO  71  -0.024   4.210   6.049
  567   1HG   PRO  71          2HG       PRO  71  -1.100   7.030   6.431
  568   2HG   PRO  71          3HG       PRO  71  -1.621   5.807   5.229
  569   1HD   PRO  71          2HD       PRO  71  -2.998   6.075   7.508
  570   2HD   PRO  71          3HD       PRO  71  -2.609   4.449   6.908
  571    H    LYS  72           H        LYS  72  -0.717   7.223   8.996
  572    HA   LYS  72           HA       LYS  72   1.798   8.600   9.495
  573   1HB   LYS  72          2HB       LYS  72  -1.118   9.085  10.238
  574   2HB   LYS  72          3HB       LYS  72   0.162   9.992  11.034
  575   1HG   LYS  72          2HG       LYS  72  -0.623  11.327   9.257
  576   2HG   LYS  72          3HG       LYS  72   1.012  10.794   8.874
  577   1HD   LYS  72          2HD       LYS  72   0.079   9.118   7.265
  578   2HD   LYS  72          3HD       LYS  72  -1.565   9.610   7.730
  579   1HE   LYS  72          2HE       LYS  72  -1.050  10.796   5.703
  580   2HE   LYS  72          3HE       LYS  72  -0.989  11.966   7.017
  581   1HZ   LYS  72          1HZ       LYS  72   1.251  10.687   5.581
  582   2HZ   LYS  72          2HZ       LYS  72   0.955  12.305   5.728
  583   3HZ   LYS  72          3HZ       LYS  72   1.518  11.440   7.013
  584    H    LYS  73           H        LYS  73  -0.476   6.991  11.684
  585    HA   LYS  73           HA       LYS  73   1.359   7.298  13.945
  586   1HB   LYS  73          2HB       LYS  73  -1.200   7.121  14.048
  587   2HB   LYS  73          3HB       LYS  73  -1.002   5.374  13.821
  588   1HG   LYS  73          2HG       LYS  73   0.431   5.316  15.875
  589   2HG   LYS  73          3HG       LYS  73   0.244   7.074  16.039
  590   1HD   LYS  73          2HD       LYS  73  -2.265   6.700  16.193
  591   2HD   LYS  73          3HD       LYS  73  -1.945   4.964  16.276
  592   1HE   LYS  73          2HE       LYS  73  -0.985   7.123  18.218
  593   2HE   LYS  73          3HE       LYS  73  -2.262   5.942  18.523
  594   1HZ   LYS  73          1HZ       LYS  73   0.605   5.313  18.098
  595   2HZ   LYS  73          2HZ       LYS  73  -0.193   5.230  19.532
  596   3HZ   LYS  73          3HZ       LYS  73  -0.569   4.185  18.316
  597    H    TYR  74           H        TYR  74   0.761   4.694  11.583
  598    HA   TYR  74           HA       TYR  74   2.401   2.766  12.908
  599   1HB   TYR  74          2HB       TYR  74   0.672   2.575  10.935
  600   2HB   TYR  74          3HB       TYR  74   2.071   2.859   9.920
  601    HD1  TYR  74           HD1      TYR  74   4.186   1.231  10.481
  602    HD2  TYR  74           HD2      TYR  74   0.066   0.410  11.525
  603    HE1  TYR  74           HE1      TYR  74   4.728  -1.182  10.854
  604    HE2  TYR  74           HE2      TYR  74   0.635  -1.998  11.825
  605    HH   TYR  74           HH       TYR  74   2.337  -3.647  11.369
  606    H    ILE  75           H        ILE  75   3.201   5.164  10.350
  607    HA   ILE  75           HA       ILE  75   6.105   4.857  10.974
  608    HB   ILE  75           HB       ILE  75   4.929   5.270   8.224
  609   1HG1  ILE  75          2HG1      ILE  75   6.160   2.795   9.492
  610   2HG1  ILE  75          3HG1      ILE  75   4.504   2.989   8.916
  611   1HG2  ILE  75          1HG2      ILE  75   7.802   4.740   9.156
  612   2HG2  ILE  75          2HG2      ILE  75   7.283   5.076   7.488
  613   3HG2  ILE  75          3HG2      ILE  75   7.202   6.343   8.695
  614   1HD1  ILE  75          1HD1      ILE  75   7.005   2.779   7.223
  615   2HD1  ILE  75          2HD1      ILE  75   5.611   1.696   7.281
  616   3HD1  ILE  75          3HD1      ILE  75   5.439   3.317   6.575
  617    HA   PRO  76           HA       PRO  76   4.624   9.147  11.849
  618   1HB   PRO  76          2HB       PRO  76   6.358   9.699  13.907
  619   2HB   PRO  76          3HB       PRO  76   4.809   8.821  14.104
  620   1HG   PRO  76          2HG       PRO  76   7.587   7.652  13.800
  621   2HG   PRO  76          3HG       PRO  76   6.325   7.217  14.998
  622   1HD   PRO  76          2HD       PRO  76   6.714   5.769  12.745
  623   2HD   PRO  76          3HD       PRO  76   5.060   6.051  13.369
  624    H    GLY  77           H        GLY  77   5.244  10.563  10.450
  625   1HA   GLY  77          1HA       GLY  77   6.795  12.119   9.419
  626   2HA   GLY  77          2HA       GLY  77   8.121  11.014   9.746
  627    H    THR  78           H        THR  78   5.651   9.050   8.542
  628    HA   THR  78           HA       THR  78   6.989   8.529   6.161
  629    HB   THR  78           HB       THR  78   5.484   6.936   7.093
  630    HG1  THR  78           1HG      THR  78   4.926   6.162   5.212
  631   1HG2  THR  78          1HG2      THR  78   3.137   8.531   5.983
  632   2HG2  THR  78          2HG2      THR  78   3.086   6.953   6.775
  633   3HG2  THR  78          3HG2      THR  78   3.506   8.394   7.716
  634    H    LYS  79           H        LYS  79   6.990   9.089   4.246
  635    HA   LYS  79           HA       LYS  79   6.062  11.382   2.894
  636   1HB   LYS  79          2HB       LYS  79   7.729   9.237   2.508
  637   2HB   LYS  79          3HB       LYS  79   6.467   8.795   1.427
  638   1HG   LYS  79          2HG       LYS  79   6.873  10.810   0.071
  639   2HG   LYS  79          3HG       LYS  79   8.030  11.413   1.297
  640   1HD   LYS  79          2HD       LYS  79   9.367   9.341   1.047
  641   2HD   LYS  79          3HD       LYS  79   8.266   8.758  -0.204
  642   1HE   LYS  79          2HE       LYS  79   8.992  10.583  -1.679
  643   2HE   LYS  79          3HE       LYS  79  10.045  11.209  -0.381
  644   1HZ   LYS  79          1HZ       LYS  79  10.256   8.586  -1.747
  645   2HZ   LYS  79          2HZ       LYS  79  11.366   9.765  -1.774
  646   3HZ   LYS  79          3HZ       LYS  79  11.111   8.941  -0.382
  647    H    MET  80           H        MET  80   4.334   8.370   3.557
  648    HA   MET  80           HA       MET  80   2.355   8.629   1.483
  649   1HB   MET  80          2HB       MET  80   2.931   6.489   2.446
  650   2HB   MET  80          3HB       MET  80   2.347   6.990   4.037
  651   1HG   MET  80          2HG       MET  80   0.163   6.882   3.439
  652   2HG   MET  80          3HG       MET  80   0.441   7.344   1.766
  653   1HE   MET  80          1HE       MET  80  -1.699   5.507   1.596
  654   2HE   MET  80          2HE       MET  80  -1.474   3.778   1.950
  655   3HE   MET  80          3HE       MET  80  -1.443   4.957   3.270
  656    H    ALA  81           H        ALA  81   1.898  10.819   1.627
  657    HA   ALA  81           HA       ALA  81   0.790  12.162   3.766
  658   1HB   ALA  81          1HB       ALA  81   0.322  12.755   0.835
  659   2HB   ALA  81          2HB       ALA  81   0.198  13.902   2.175
  660   3HB   ALA  81          3HB       ALA  81   1.774  13.207   1.751
  661    H    PHE  82           H        PHE  82  -0.655  10.096   1.884
  662    HA   PHE  82           HA       PHE  82  -3.265  10.360   1.332
  663   1HB   PHE  82          2HB       PHE  82  -1.923   8.372   0.894
  664   2HB   PHE  82          3HB       PHE  82  -1.982   7.913   2.587
  665    HD1  PHE  82           HD1      PHE  82  -4.403   8.786  -0.177
  666    HD2  PHE  82           HD2      PHE  82  -3.515   6.255   3.200
  667    HE1  PHE  82           HE1      PHE  82  -6.402   7.432  -0.670
  668    HE2  PHE  82           HE2      PHE  82  -5.510   4.896   2.709
  669    HZ   PHE  82           HZ       PHE  82  -6.954   5.464   0.751
  670    H    GLY  83           H        GLY  83  -2.374   9.855   4.717
  671   1HA   GLY  83          1HA       GLY  83  -3.740  10.340   6.613
  672   2HA   GLY  83          2HA       GLY  83  -5.116  10.593   5.541
  673    H    GLY  84           H        GLY  84  -6.218   8.626   4.686
  674   1HA   GLY  84          1HA       GLY  84  -5.755   6.007   4.879
  675   2HA   GLY  84          2HA       GLY  84  -6.151   6.317   6.564
  676    H    LEU  85           H        LEU  85  -7.621   4.501   4.930
  677    HA   LEU  85           HA       LEU  85 -10.264   5.808   4.668
  678   1HB   LEU  85          2HB       LEU  85  -9.411   3.080   3.647
  679   2HB   LEU  85          3HB       LEU  85 -10.868   3.970   3.305
  680    HG   LEU  85           HG       LEU  85  -8.062   4.580   2.364
  681   1HD1  LEU  85          1HD1      LEU  85 -10.612   3.785   0.898
  682   2HD1  LEU  85          2HD1      LEU  85  -9.053   4.153   0.122
  683   3HD1  LEU  85          3HD1      LEU  85  -9.211   2.752   1.188
  684   1HD2  LEU  85          1HD2      LEU  85  -9.109   6.745   2.706
  685   2HD2  LEU  85          2HD2      LEU  85  -9.144   6.409   0.984
  686   3HD2  LEU  85          3HD2      LEU  85 -10.616   6.190   1.970
  687    H    LYS  86           H        LYS  86 -10.657   5.835   6.963
  688    HA   LYS  86           HA       LYS  86 -10.870   3.277   8.391
  689   1HB   LYS  86          2HB       LYS  86 -10.398   5.693   9.348
  690   2HB   LYS  86          3HB       LYS  86 -12.150   5.792   9.464
  691   1HG   LYS  86          2HG       LYS  86 -10.325   3.648  10.659
  692   2HG   LYS  86          3HG       LYS  86 -11.087   4.966  11.549
  693   1HD   LYS  86          2HD       LYS  86 -13.312   3.986  11.211
  694   2HD   LYS  86          3HD       LYS  86 -12.649   2.771  10.126
  695   1HE   LYS  86          2HE       LYS  86 -13.038   1.665  12.123
  696   2HE   LYS  86          3HE       LYS  86 -11.309   1.772  11.866
  697   1HZ   LYS  86          1HZ       LYS  86 -12.836   3.607  13.631
  698   2HZ   LYS  86          2HZ       LYS  86 -11.991   2.301  14.170
  699   3HZ   LYS  86          3HZ       LYS  86 -11.193   3.557  13.459
  700    H    LYS  87           H        LYS  87 -12.068   2.431   6.558
  701    HA   LYS  87           HA       LYS  87 -14.795   1.934   7.537
  702   1HB   LYS  87          2HB       LYS  87 -14.178   2.762   4.661
  703   2HB   LYS  87          3HB       LYS  87 -15.539   1.724   5.082
  704   1HG   LYS  87          2HG       LYS  87 -16.398   3.521   6.613
  705   2HG   LYS  87          3HG       LYS  87 -15.110   4.588   6.004
  706   1HD   LYS  87          2HD       LYS  87 -15.968   4.330   3.701
  707   2HD   LYS  87          3HD       LYS  87 -17.241   3.238   4.287
  708   1HE   LYS  87          2HE       LYS  87 -18.134   5.045   5.735
  709   2HE   LYS  87          3HE       LYS  87 -16.873   6.142   5.159
  710   1HZ   LYS  87          1HZ       LYS  87 -18.967   4.898   3.458
  711   2HZ   LYS  87          2HZ       LYS  87 -18.943   6.471   3.935
  712   3HZ   LYS  87          3HZ       LYS  87 -17.788   5.897   2.912
  713    H    GLU  88           H        GLU  88 -13.944   0.017   8.318
  714    HA   GLU  88           HA       GLU  88 -12.057  -1.575   7.145
  715   1HB   GLU  88          2HB       GLU  88 -14.266  -2.224   9.097
  716   2HB   GLU  88          3HB       GLU  88 -13.051  -3.407   8.632
  717   1HG   GLU  88          2HG       GLU  88 -12.399  -2.270  10.711
  718   2HG   GLU  88          3HG       GLU  88 -11.236  -1.988   9.419
  719    H    LYS  89           H        LYS  89 -15.474  -1.755   6.190
  720    HA   LYS  89           HA       LYS  89 -15.165  -4.135   4.559
  721   1HB   LYS  89          2HB       LYS  89 -17.149  -1.852   4.306
  722   2HB   LYS  89          3HB       LYS  89 -17.254  -3.460   3.594
  723   1HG   LYS  89          2HG       LYS  89 -16.858  -4.060   6.240
  724   2HG   LYS  89          3HG       LYS  89 -17.789  -2.581   6.395
  725   1HD   LYS  89          2HD       LYS  89 -18.634  -5.057   4.813
  726   2HD   LYS  89          3HD       LYS  89 -19.194  -4.637   6.441
  727   1HE   LYS  89          2HE       LYS  89 -20.170  -2.528   5.580
  728   2HE   LYS  89          3HE       LYS  89 -19.607  -2.920   3.949
  729   1HZ   LYS  89          1HZ       LYS  89 -21.552  -4.541   5.505
  730   2HZ   LYS  89          2HZ       LYS  89 -21.934  -3.534   4.267
  731   3HZ   LYS  89          3HZ       LYS  89 -21.032  -4.875   3.981
  732    H    ASP  90           H        ASP  90 -14.854  -0.762   3.963
  733    HA   ASP  90           HA       ASP  90 -14.316  -0.760   1.098
  734   1HB   ASP  90          2HB       ASP  90 -14.872   1.179   2.888
  735   2HB   ASP  90          3HB       ASP  90 -13.119   1.346   2.902
  736    H    ARG  91           H        ARG  91 -12.343  -0.996   3.985
  737    HA   ARG  91           HA       ARG  91  -9.740  -1.251   2.768
  738   1HB   ARG  91          2HB       ARG  91 -10.713  -2.494   5.383
  739   2HB   ARG  91          3HB       ARG  91  -9.050  -2.372   4.896
  740   1HG   ARG  91          2HG       ARG  91 -10.616   0.211   5.098
  741   2HG   ARG  91          3HG       ARG  91 -10.213  -0.651   6.581
  742   1HD   ARG  91          2HD       ARG  91  -8.549   0.916   6.227
  743   2HD   ARG  91          3HD       ARG  91  -7.835  -0.677   5.981
  744    HE   ARG  91           HE       ARG  91  -8.261  -0.160   3.454
  745   1HH1  ARG  91          1HH2      ARG  91  -7.225   1.979   5.837
  746   2HH1  ARG  91          2HH2      ARG  91  -6.089   2.877   4.893
  747   1HH2  ARG  91          1HH1      ARG  91  -7.012   1.103   2.030
  748   2HH2  ARG  91          2HH1      ARG  91  -6.202   2.527   2.646
  749    H    ASN  92           H        ASN  92 -12.029  -3.847   3.784
  750    HA   ASN  92           HA       ASN  92 -10.346  -5.972   2.965
  751   1HB   ASN  92          2HB       ASN  92 -13.365  -5.848   3.207
  752   2HB   ASN  92          3HB       ASN  92 -12.483  -7.323   2.809
  753   1HD2  ASN  92          2HD2      ASN  92 -14.112  -6.499   5.236
  754   2HD2  ASN  92          1HD2      ASN  92 -12.953  -6.752   6.568
  755    H    ASP  93           H        ASP  93 -12.852  -4.327   0.932
  756    HA   ASP  93           HA       ASP  93 -12.361  -5.933  -1.405
  757   1HB   ASP  93          2HB       ASP  93 -13.449  -3.163  -0.931
  758   2HB   ASP  93          3HB       ASP  93 -12.965  -3.608  -2.558
  759    H    LEU  94           H        LEU  94 -10.730  -2.979  -0.280
  760    HA   LEU  94           HA       LEU  94  -8.904  -2.605  -2.426
  761   1HB   LEU  94          2HB       LEU  94  -9.463  -1.325  -0.017
  762   2HB   LEU  94          3HB       LEU  94  -7.895  -1.998   0.318
  763    HG   LEU  94           HG       LEU  94  -7.563   0.205  -0.391
  764   1HD1  LEU  94          1HD1      LEU  94  -6.963  -1.421  -2.890
  765   2HD1  LEU  94          2HD1      LEU  94  -6.227   0.116  -2.403
  766   3HD1  LEU  94          3HD1      LEU  94  -5.944  -1.345  -1.436
  767   1HD2  LEU  94          1HD2      LEU  94  -9.770   0.580  -1.405
  768   2HD2  LEU  94          2HD2      LEU  94  -8.455   1.209  -2.422
  769   3HD2  LEU  94          3HD2      LEU  94  -9.258  -0.315  -2.850
  770    H    ILE  95           H        ILE  95  -8.504  -4.461   0.581
  771    HA   ILE  95           HA       ILE  95  -5.848  -5.481   0.087
  772    HB   ILE  95           HB       ILE  95  -8.138  -6.507   1.800
  773   1HG1  ILE  95          2HG1      ILE  95  -5.575  -5.178   2.763
  774   2HG1  ILE  95          3HG1      ILE  95  -6.949  -4.204   2.261
  775   1HG2  ILE  95          1HG2      ILE  95  -5.222  -7.405   1.777
  776   2HG2  ILE  95          2HG2      ILE  95  -6.409  -7.854   3.016
  777   3HG2  ILE  95          3HG2      ILE  95  -6.629  -8.405   1.362
  778   1HD1  ILE  95          1HD1      ILE  95  -6.918  -6.202   4.541
  779   2HD1  ILE  95          2HD1      ILE  95  -7.131  -4.437   4.593
  780   3HD1  ILE  95          3HD1      ILE  95  -8.400  -5.450   3.909
  781    H    THR  96           H        THR  96  -9.065  -6.924  -0.465
  782    HA   THR  96           HA       THR  96  -8.302  -9.308  -1.761
  783    HB   THR  96           HB       THR  96 -10.737  -7.679  -2.599
  784    HG1  THR  96           1HG      THR  96 -10.774  -7.858  -0.353
  785   1HG2  THR  96          1HG2      THR  96 -10.213 -10.680  -2.399
  786   2HG2  THR  96          2HG2      THR  96 -11.732  -9.919  -2.901
  787   3HG2  THR  96          3HG2      THR  96 -10.290  -9.749  -3.912
  788    H    TYR  97           H        TYR  97  -8.573  -6.041  -3.163
  789    HA   TYR  97           HA       TYR  97  -7.761  -6.876  -5.842
  790   1HB   TYR  97          2HB       TYR  97  -8.945  -4.843  -5.588
  791   2HB   TYR  97          3HB       TYR  97  -7.805  -4.193  -4.442
  792    HD1  TYR  97           HD1      TYR  97  -7.736  -5.615  -7.954
  793    HD2  TYR  97           HD2      TYR  97  -6.250  -2.625  -5.219
  794    HE1  TYR  97           HE1      TYR  97  -6.674  -4.422  -9.840
  795    HE2  TYR  97           HE2      TYR  97  -5.085  -1.516  -7.116
  796    HH   TYR  97           HH       TYR  97  -5.366  -2.651 -10.452
  797    H    LEU  98           H        LEU  98  -5.853  -5.236  -3.213
  798    HA   LEU  98           HA       LEU  98  -3.491  -5.160  -4.718
  799   1HB   LEU  98          2HB       LEU  98  -4.399  -4.531  -2.010
  800   2HB   LEU  98          3HB       LEU  98  -2.872  -5.313  -1.907
  801    HG   LEU  98           HG       LEU  98  -2.640  -2.891  -1.938
  802   1HD1  LEU  98          1HD1      LEU  98  -1.505  -4.118  -4.487
  803   2HD1  LEU  98          2HD1      LEU  98  -1.008  -2.585  -3.751
  804   3HD1  LEU  98          3HD1      LEU  98  -0.755  -4.102  -2.877
  805   1HD2  LEU  98          1HD2      LEU  98  -4.654  -2.405  -3.305
  806   2HD2  LEU  98          2HD2      LEU  98  -3.213  -1.502  -3.822
  807   3HD2  LEU  98          3HD2      LEU  98  -3.766  -2.906  -4.758
  808    H    LYS  99           H        LYS  99  -4.687  -7.755  -2.739
  809    HA   LYS  99           HA       LYS  99  -2.477  -9.576  -2.852
  810   1HB   LYS  99          2HB       LYS  99  -4.704  -9.772  -1.590
  811   2HB   LYS  99          3HB       LYS  99  -5.447 -10.228  -3.121
  812   1HG   LYS  99          2HG       LYS  99  -3.718 -12.130  -3.208
  813   2HG   LYS  99          3HG       LYS  99  -3.304 -11.705  -1.537
  814   1HD   LYS  99          2HD       LYS  99  -5.738 -12.055  -0.922
  815   2HD   LYS  99          3HD       LYS  99  -6.044 -12.536  -2.598
  816   1HE   LYS  99          2HE       LYS  99  -5.849 -14.556  -1.396
  817   2HE   LYS  99          3HE       LYS  99  -4.363 -14.398  -2.327
  818   1HZ   LYS  99          1HZ       LYS  99  -4.590 -13.622   0.555
  819   2HZ   LYS  99          2HZ       LYS  99  -3.941 -15.045   0.032
  820   3HZ   LYS  99          3HZ       LYS  99  -3.256 -13.607  -0.287
  821    H    LYS 100           H        LYS 100  -5.137  -9.142  -5.151
  822    HA   LYS 100           HA       LYS 100  -4.100 -10.983  -7.178
  823   1HB   LYS 100          2HB       LYS 100  -6.505 -10.440  -6.585
  824   2HB   LYS 100          3HB       LYS 100  -6.305  -8.879  -7.320
  825   1HG   LYS 100          2HG       LYS 100  -7.533 -10.487  -8.739
  826   2HG   LYS 100          3HG       LYS 100  -6.147  -9.747  -9.508
  827   1HD   LYS 100          2HD       LYS 100  -6.423 -12.064 -10.145
  828   2HD   LYS 100          3HD       LYS 100  -4.873 -11.794  -9.404
  829   1HE   LYS 100          2HE       LYS 100  -7.187 -12.867  -7.732
  830   2HE   LYS 100          3HE       LYS 100  -6.342 -13.929  -8.876
  831   1HZ   LYS 100          1HZ       LYS 100  -4.997 -12.507  -6.656
  832   2HZ   LYS 100          2HZ       LYS 100  -5.206 -14.096  -6.699
  833   3HZ   LYS 100          3HZ       LYS 100  -4.247 -13.346  -7.795
  834    H    ALA 101           H        ALA 101  -3.426  -7.889  -6.511
  835    HA   ALA 101           HA       ALA 101  -2.329  -7.066  -9.143
  836   1HB   ALA 101          1HB       ALA 101  -1.747  -5.950  -6.366
  837   2HB   ALA 101          2HB       ALA 101  -1.281  -5.226  -7.899
  838   3HB   ALA 101          3HB       ALA 101  -3.009  -5.365  -7.479
  839    H    THR 102           H        THR 102  -1.236  -9.160  -6.645
  840    HA   THR 102           HA       THR 102   1.501  -9.294  -7.818
  841    HB   THR 102           HB       THR 102   1.489  -8.023  -5.712
  842    HG1  THR 102           1HG      THR 102   2.731 -10.525  -5.881
  843   1HG2  THR 102          1HG2      THR 102   0.582 -10.667  -4.477
  844   2HG2  THR 102          2HG2      THR 102   1.393  -9.378  -3.595
  845   3HG2  THR 102          3HG2      THR 102  -0.179  -9.064  -4.323
  846    H    GLU 103           H        GLU 103  -1.300 -11.152  -7.152
  847    HA   GLU 103           HA       GLU 103   0.190 -13.630  -7.796
  848   1HB   GLU 103          2HB       GLU 103  -1.376 -14.961  -6.389
  849   2HB   GLU 103          3HB       GLU 103  -0.205 -14.024  -5.472
  850   1HG   GLU 103          2HG       GLU 103  -1.783 -12.714  -4.482
  851   2HG   GLU 103          3HG       GLU 103  -2.830 -12.665  -5.884
  852    HHA  HEC 104           HHA      HEC 104   5.173   3.195   0.699
  853    HHB  HEC 104           HHB      HEC 104  -0.469   0.218  -0.286
  854    HHC  HEC 104           HHC      HEC 104  -3.269   5.905  -1.508
  855    HHD  HEC 104           HHD      HEC 104   2.505   8.755  -1.198
  856   1HMA  HEC 104          1HMA      HEC 104   1.805  -1.302   1.461
  857   2HMA  HEC 104          2HMA      HEC 104   1.156  -1.297  -0.196
  858   3HMA  HEC 104          3HMA      HEC 104   2.886  -1.500   0.062
  859   1HAA  HEC 104          1HAA      HEC 104   4.434  -0.470   1.511
  860   2HAA  HEC 104          2HAA      HEC 104   5.102   1.114   1.885
  861   1HBA  HEC 104          1HBA      HEC 104   5.977   1.252  -0.440
  862   2HBA  HEC 104          2HBA      HEC 104   5.309  -0.327  -0.788
  863   1HMB  HEC 104          1HMB      HEC 104  -3.435   0.193  -0.266
  864   2HMB  HEC 104          2HMB      HEC 104  -3.912   0.730  -1.894
  865   3HMB  HEC 104          3HMB      HEC 104  -2.337  -0.023  -1.647
  866    HAB  HEC 104           HAB      HEC 104  -4.720   4.559  -0.940
  867   1HBB  HEC 104          1HBB      HEC 104  -4.937   2.997   0.923
  868   2HBB  HEC 104          2HBB      HEC 104  -6.418   3.169  -0.044
  869   3HBB  HEC 104          3HBB      HEC 104  -5.417   1.722  -0.217
  870   1HMC  HEC 104          1HMC      HEC 104  -2.776   9.514  -2.289
  871   2HMC  HEC 104          2HMC      HEC 104  -2.570   8.240  -3.507
  872   3HMC  HEC 104          3HMC      HEC 104  -3.570   7.959  -2.088
  873    HAC  HEC 104           HAC      HEC 104   1.221  10.009  -2.127
  874   1HBC  HEC 104          1HBC      HEC 104  -0.155  10.821  -0.278
  875   2HBC  HEC 104          2HBC      HEC 104   0.012  11.977  -1.617
  876   3HBC  HEC 104          3HBC      HEC 104  -1.502  11.080  -1.401
  877   1HMD  HEC 104          1HMD      HEC 104   4.955   9.110  -0.195
  878   2HMD  HEC 104          2HMD      HEC 104   6.204   8.163  -1.040
  879   3HMD  HEC 104          3HMD      HEC 104   4.704   8.596  -1.851
  880   1HAD  HEC 104          1HAD      HEC 104   7.068   6.409  -0.101
  881   2HAD  HEC 104          2HAD      HEC 104   6.811   4.710   0.212
  882   1HBD  HEC 104          1HBD      HEC 104   6.300   5.049   2.504
  883   2HBD  HEC 104          2HBD      HEC 104   5.971   6.763   2.281
  Start of MODEL    5
    1   1H    THR  -5          H1        THR  -5 -13.729  -7.094  11.623
    2   2H    THR  -5          H2        THR  -5 -15.027  -7.911  12.273
    3   3H    THR  -5          H3        THR  -5 -14.902  -7.583  10.648
    4    HA   THR  -5           HA       THR  -5 -13.105  -9.362  12.153
    5    HB   THR  -5           HB       THR  -5 -14.023 -11.111  10.558
    6    HG1  THR  -5           1HG      THR  -5 -15.100  -9.670   9.209
    7   1HG2  THR  -5          1HG2      THR  -5 -15.972  -9.964  12.608
    8   2HG2  THR  -5          2HG2      THR  -5 -15.931 -11.622  11.979
    9   3HG2  THR  -5          3HG2      THR  -5 -14.588 -11.029  12.972
   10    H    GLU  -4           H        GLU  -4 -11.312  -9.061  11.490
   11    HA   GLU  -4           HA       GLU  -4 -10.161  -7.358   9.768
   12   1HB   GLU  -4          2HB       GLU  -4  -8.155  -9.067  10.016
   13   2HB   GLU  -4          3HB       GLU  -4  -8.705  -8.052  11.332
   14   1HG   GLU  -4          2HG       GLU  -4  -9.498 -10.976  10.958
   15   2HG   GLU  -4          3HG       GLU  -4  -8.152 -10.427  11.948
   16    H    PHE  -3           H        PHE  -3 -10.921 -10.693   8.854
   17    HA   PHE  -3           HA       PHE  -3 -10.894  -9.613   6.123
   18   1HB   PHE  -3          2HB       PHE  -3  -8.874 -11.159   6.417
   19   2HB   PHE  -3          3HB       PHE  -3 -10.040 -12.481   6.402
   20    HD1  PHE  -3           HD1      PHE  -3 -10.622 -13.376   4.226
   21    HD2  PHE  -3           HD2      PHE  -3  -9.125  -9.346   4.531
   22    HE1  PHE  -3           HE1      PHE  -3 -10.569 -13.203   1.749
   23    HE2  PHE  -3           HE2      PHE  -3  -9.100  -9.166   2.060
   24    HZ   PHE  -3           HZ       PHE  -3  -9.800 -11.079   0.652
   25    H    LYS  -2           H        LYS  -2 -12.758  -9.521   5.450
   26    HA   LYS  -2           HA       LYS  -2 -14.704 -11.743   5.784
   27   1HB   LYS  -2          2HB       LYS  -2 -14.989  -9.199   6.911
   28   2HB   LYS  -2          3HB       LYS  -2 -15.900  -9.038   5.421
   29   1HG   LYS  -2          2HG       LYS  -2 -16.302 -11.179   7.569
   30   2HG   LYS  -2          3HG       LYS  -2 -17.285  -9.723   7.357
   31   1HD   LYS  -2          2HD       LYS  -2 -17.904 -10.536   5.056
   32   2HD   LYS  -2          3HD       LYS  -2 -17.035 -12.049   5.411
   33   1HE   LYS  -2          2HE       LYS  -2 -18.488 -12.464   7.344
   34   2HE   LYS  -2          3HE       LYS  -2 -19.382 -10.969   7.011
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.137 -13.236   5.113
   36   2HZ   LYS  -2          2HZ       LYS  -2 -20.467 -12.946   6.044
   37   3HZ   LYS  -2          3HZ       LYS  -2 -20.023 -11.883   4.870
   38    H    ALA  -1           H        ALA  -1 -12.823 -10.439   3.763
   39    HA   ALA  -1           HA       ALA  -1 -12.386 -10.305   1.583
   40   1HB   ALA  -1          1HB       ALA  -1 -14.808 -12.089   1.148
   41   2HB   ALA  -1          2HB       ALA  -1 -13.454 -11.841   0.030
   42   3HB   ALA  -1          3HB       ALA  -1 -13.177 -12.650   1.580
   43    H    GLY   1           H        GLY   1 -13.028  -9.559  -0.561
   44   1HA   GLY   1          1HA       GLY   1 -15.454  -7.882  -0.751
   45   2HA   GLY   1          2HA       GLY   1 -13.870  -7.151  -1.076
   46    H    SER   2           H        SER   2 -14.216  -6.851  -3.285
   47    HA   SER   2           HA       SER   2 -13.928  -9.326  -4.934
   48   1HB   SER   2          2HB       SER   2 -16.258  -8.926  -5.207
   49   2HB   SER   2          3HB       SER   2 -15.992  -7.182  -5.389
   50    HG   SER   2           HG       SER   2 -16.141  -8.904  -7.314
   51    H    ALA   3           H        ALA   3 -12.399  -9.149  -6.425
   52    HA   ALA   3           HA       ALA   3 -10.583  -7.035  -6.413
   53   1HB   ALA   3          1HB       ALA   3 -11.067  -9.074  -8.626
   54   2HB   ALA   3          2HB       ALA   3  -9.589  -8.118  -8.392
   55   3HB   ALA   3          3HB       ALA   3 -10.066  -9.313  -7.175
   56    H    LYS   4           H        LYS   4 -13.472  -7.281  -8.447
   57    HA   LYS   4           HA       LYS   4 -12.684  -5.054 -10.152
   58   1HB   LYS   4          2HB       LYS   4 -14.540  -7.057 -10.418
   59   2HB   LYS   4          3HB       LYS   4 -15.594  -5.731  -9.955
   60   1HG   LYS   4          2HG       LYS   4 -13.639  -5.770 -12.310
   61   2HG   LYS   4          3HG       LYS   4 -15.377  -6.051 -12.400
   62   1HD   LYS   4          2HD       LYS   4 -15.738  -3.700 -11.518
   63   2HD   LYS   4          3HD       LYS   4 -13.985  -3.439 -11.703
   64   1HE   LYS   4          2HE       LYS   4 -14.113  -3.946 -14.093
   65   2HE   LYS   4          3HE       LYS   4 -15.841  -4.298 -13.960
   66   1HZ   LYS   4          1HZ       LYS   4 -14.608  -1.653 -13.394
   67   2HZ   LYS   4          2HZ       LYS   4 -15.435  -2.037 -14.763
   68   3HZ   LYS   4          3HZ       LYS   4 -16.210  -1.985 -13.319
   69    H    LYS   5           H        LYS   5 -14.284  -5.297  -7.268
   70    HA   LYS   5           HA       LYS   5 -15.313  -2.484  -7.081
   71   1HB   LYS   5          2HB       LYS   5 -15.383  -4.870  -5.220
   72   2HB   LYS   5          3HB       LYS   5 -15.630  -3.237  -4.575
   73   1HG   LYS   5          2HG       LYS   5 -17.586  -2.871  -5.802
   74   2HG   LYS   5          3HG       LYS   5 -17.182  -4.083  -7.009
   75   1HD   LYS   5          2HD       LYS   5 -19.032  -4.872  -5.829
   76   2HD   LYS   5          3HD       LYS   5 -17.691  -5.904  -5.411
   77   1HE   LYS   5          2HE       LYS   5 -18.715  -3.627  -3.646
   78   2HE   LYS   5          3HE       LYS   5 -19.347  -5.275  -3.588
   79   1HZ   LYS   5          1HZ       LYS   5 -16.931  -4.285  -2.402
   80   2HZ   LYS   5          2HZ       LYS   5 -17.720  -5.672  -2.096
   81   3HZ   LYS   5          3HZ       LYS   5 -16.582  -5.525  -3.279
   82    H    GLY   6           H        GLY   6 -12.833  -4.394  -5.330
   83   1HA   GLY   6          1HA       GLY   6 -11.373  -2.317  -4.133
   84   2HA   GLY   6          2HA       GLY   6 -10.678  -3.825  -4.730
   85    H    ALA   7           H        ALA   7 -10.892  -3.592  -7.488
   86    HA   ALA   7           HA       ALA   7  -8.845  -1.897  -8.316
   87   1HB   ALA   7          1HB       ALA   7 -11.220  -2.914  -9.948
   88   2HB   ALA   7          2HB       ALA   7  -9.709  -2.262 -10.610
   89   3HB   ALA   7          3HB       ALA   7  -9.688  -3.769  -9.697
   90    H    THR   8           H        THR   8 -12.390  -1.201  -8.568
   91    HA   THR   8           HA       THR   8 -11.951   1.361  -9.801
   92    HB   THR   8           HB       THR   8 -14.126  -0.237  -9.475
   93    HG1  THR   8           1HG      THR   8 -14.249   2.513 -10.000
   94   1HG2  THR   8          1HG2      THR   8 -14.767   2.228  -7.799
   95   2HG2  THR   8          2HG2      THR   8 -15.908   1.010  -8.395
   96   3HG2  THR   8          3HG2      THR   8 -14.691   0.559  -7.192
   97    H    LEU   9           H        LEU   9 -12.228   0.436  -6.360
   98    HA   LEU   9           HA       LEU   9 -12.337   3.097  -5.377
   99   1HB   LEU   9          2HB       LEU   9 -12.982   0.727  -4.326
  100   2HB   LEU   9          3HB       LEU   9 -11.303   0.717  -3.806
  101    HG   LEU   9           HG       LEU   9 -12.197   3.300  -3.187
  102   1HD1  LEU   9          1HD1      LEU   9 -14.375   1.334  -2.407
  103   2HD1  LEU   9          2HD1      LEU   9 -14.266   3.038  -1.906
  104   3HD1  LEU   9          3HD1      LEU   9 -14.527   2.632  -3.615
  105   1HD2  LEU   9          1HD2      LEU   9 -10.766   2.030  -1.703
  106   2HD2  LEU   9          2HD2      LEU   9 -12.194   2.558  -0.796
  107   3HD2  LEU   9          3HD2      LEU   9 -12.071   0.879  -1.352
  108    H    PHE  10           H        PHE  10  -9.640   0.705  -5.618
  109    HA   PHE  10           HA       PHE  10  -7.481   2.331  -4.820
  110   1HB   PHE  10          2HB       PHE  10  -7.186  -0.016  -5.255
  111   2HB   PHE  10          3HB       PHE  10  -7.723   0.145  -6.915
  112    HD1  PHE  10           HD1      PHE  10  -6.240   0.848  -8.681
  113    HD2  PHE  10           HD2      PHE  10  -4.895   0.827  -4.587
  114    HE1  PHE  10           HE1      PHE  10  -3.885   1.222  -9.429
  115    HE2  PHE  10           HE2      PHE  10  -2.574   1.290  -5.353
  116    HZ   PHE  10           HZ       PHE  10  -2.069   1.507  -7.748
  117    H    LYS  11           H        LYS  11  -9.101   2.201  -7.985
  118    HA   LYS  11           HA       LYS  11  -7.212   3.749  -9.441
  119   1HB   LYS  11          2HB       LYS  11  -9.499   2.384 -10.126
  120   2HB   LYS  11          3HB       LYS  11 -10.071   4.030 -10.249
  121   1HG   LYS  11          2HG       LYS  11  -9.324   3.433 -12.407
  122   2HG   LYS  11          3HG       LYS  11  -8.053   4.475 -11.775
  123   1HD   LYS  11          2HD       LYS  11  -6.735   2.382 -11.178
  124   2HD   LYS  11          3HD       LYS  11  -8.021   1.411 -11.906
  125   1HE   LYS  11          2HE       LYS  11  -7.668   2.497 -14.087
  126   2HE   LYS  11          3HE       LYS  11  -6.474   3.590 -13.389
  127   1HZ   LYS  11          1HZ       LYS  11  -6.140   0.643 -13.574
  128   2HZ   LYS  11          2HZ       LYS  11  -5.435   1.738 -14.564
  129   3HZ   LYS  11          3HZ       LYS  11  -5.011   1.695 -12.998
  130    H    THR  12           H        THR  12  -9.699   4.959  -7.296
  131    HA   THR  12           HA       THR  12  -8.653   7.730  -7.776
  132    HB   THR  12           HB       THR  12 -10.943   8.550  -7.199
  133    HG1  THR  12           1HG      THR  12 -12.575   6.904  -7.630
  134   1HG2  THR  12          1HG2      THR  12 -10.872   6.730  -9.640
  135   2HG2  THR  12          2HG2      THR  12 -11.927   8.133  -9.378
  136   3HG2  THR  12          3HG2      THR  12 -10.180   8.364  -9.564
  137    H    ARG  13           H        ARG  13  -8.607   5.393  -5.479
  138    HA   ARG  13           HA       ARG  13  -8.358   7.398  -3.267
  139   1HB   ARG  13          2HB       ARG  13  -8.224   4.343  -3.320
  140   2HB   ARG  13          3HB       ARG  13  -7.927   5.283  -1.871
  141   1HG   ARG  13          2HG       ARG  13 -10.582   5.392  -3.372
  142   2HG   ARG  13          3HG       ARG  13 -10.184   4.237  -2.098
  143   1HD   ARG  13          2HD       ARG  13  -9.527   6.464  -0.767
  144   2HD   ARG  13          3HD       ARG  13 -10.666   7.182  -1.915
  145    HE   ARG  13           HE       ARG  13 -11.391   4.768  -0.271
  146   1HH1  ARG  13          1HH2      ARG  13 -12.237   8.008  -1.166
  147   2HH1  ARG  13          2HH2      ARG  13 -13.690   7.999  -0.210
  148   1HH2  ARG  13          1HH1      ARG  13 -13.231   4.757   0.990
  149   2HH2  ARG  13          2HH1      ARG  13 -14.206   6.180   0.996
  150    H    CYS  14           H        CYS  14  -6.390   5.135  -5.105
  151    HA   CYS  14           HA       CYS  14  -3.965   5.888  -3.502
  152   1HB   CYS  14          2HB       CYS  14  -4.547   3.298  -4.888
  153   2HB   CYS  14          3HB       CYS  14  -3.293   3.587  -3.695
  154    H    LEU  15           H        LEU  15  -5.149   5.020  -6.774
  155    HA   LEU  15           HA       LEU  15  -2.756   4.671  -8.092
  156   1HB   LEU  15          2HB       LEU  15  -4.996   4.209  -9.014
  157   2HB   LEU  15          3HB       LEU  15  -5.301   5.946  -9.120
  158    HG   LEU  15           HG       LEU  15  -3.344   6.106 -10.757
  159   1HD1  LEU  15          1HD1      LEU  15  -3.665   3.070 -10.818
  160   2HD1  LEU  15          2HD1      LEU  15  -2.682   4.053 -11.937
  161   3HD1  LEU  15          3HD1      LEU  15  -2.240   3.955 -10.239
  162   1HD2  LEU  15          1HD2      LEU  15  -5.663   6.164 -11.486
  163   2HD2  LEU  15          2HD2      LEU  15  -4.644   5.297 -12.651
  164   3HD2  LEU  15          3HD2      LEU  15  -5.700   4.396 -11.527
  165    H    GLN  16           H        GLN  16  -4.236   7.779  -7.315
  166    HA   GLN  16           HA       GLN  16  -2.721   9.577  -8.833
  167   1HB   GLN  16          2HB       GLN  16  -3.290  11.211  -7.085
  168   2HB   GLN  16          3HB       GLN  16  -4.667  10.225  -7.555
  169   1HG   GLN  16          2HG       GLN  16  -4.376   8.827  -5.504
  170   2HG   GLN  16          3HG       GLN  16  -2.982   9.815  -5.045
  171   1HE2  GLN  16          2HE2      GLN  16  -3.413  11.563  -3.647
  172   2HE2  GLN  16          1HE2      GLN  16  -5.083  12.180  -3.514
  173    H    CYS  17           H        CYS  17  -1.543   7.611  -6.226
  174    HA   CYS  17           HA       CYS  17   1.067   9.085  -6.280
  175   1HB   CYS  17          2HB       CYS  17  -0.309   7.711  -3.969
  176   2HB   CYS  17          3HB       CYS  17   1.329   8.342  -3.924
  177    H    HIS  18           H        HIS  18  -0.429   6.022  -6.840
  178    HA   HIS  18           HA       HIS  18   2.218   4.600  -6.689
  179   1HB   HIS  18          1HB       HIS  18  -0.505   3.795  -5.606
  180   2HB   HIS  18          2HB       HIS  18   0.746   2.613  -5.941
  181    HD1  HIS  18           HD1      HIS  18   3.248   3.336  -4.623
  182    HD2  HIS  18           HD2      HIS  18  -0.482   4.626  -3.150
  183    HE1  HIS  18           HE1      HIS  18   3.581   3.888  -2.149
  184    H    THR  19           H        THR  19   2.698   3.152  -8.179
  185    HA   THR  19           HA       THR  19   0.611   2.150 -10.073
  186    HB   THR  19           HB       THR  19   2.451   1.197 -11.358
  187    HG1  THR  19           1HG      THR  19   4.355   2.888 -10.577
  188   1HG2  THR  19          1HG2      THR  19   2.622   4.223 -11.043
  189   2HG2  THR  19          2HG2      THR  19   3.128   3.269 -12.455
  190   3HG2  THR  19          3HG2      THR  19   1.419   3.342 -12.013
  191    H    VAL  20           H        VAL  20   0.609  -0.091 -10.375
  192    HA   VAL  20           HA       VAL  20   1.601  -1.862  -8.191
  193    HB   VAL  20           HB       VAL  20  -0.582  -0.984  -7.465
  194   1HG1  VAL  20          1HG1      VAL  20  -1.833  -2.466  -9.803
  195   2HG1  VAL  20          2HG1      VAL  20  -2.653  -1.595  -8.490
  196   3HG1  VAL  20          3HG1      VAL  20  -1.694  -0.692  -9.667
  197   1HG2  VAL  20          1HG2      VAL  20   0.017  -3.116  -6.603
  198   2HG2  VAL  20          2HG2      VAL  20  -1.695  -3.176  -6.997
  199   3HG2  VAL  20          3HG2      VAL  20  -0.508  -3.957  -8.064
  200    H    GLU  21           H        GLU  21   0.155  -1.508 -11.366
  201    HA   GLU  21           HA       GLU  21   0.717  -3.829 -12.699
  202   1HB   GLU  21          2HB       GLU  21   1.439  -2.179 -14.557
  203   2HB   GLU  21          3HB       GLU  21  -0.173  -2.247 -13.933
  204   1HG   GLU  21          2HG       GLU  21   0.829  -0.205 -12.320
  205   2HG   GLU  21          3HG       GLU  21   1.979  -0.112 -13.621
  206    H    LYS  22           H        LYS  22   2.255  -4.779 -13.486
  207    HA   LYS  22           HA       LYS  22   4.577  -5.095 -11.877
  208   1HB   LYS  22          2HB       LYS  22   3.226  -6.827 -12.984
  209   2HB   LYS  22          3HB       LYS  22   3.941  -6.398 -14.547
  210   1HG   LYS  22          2HG       LYS  22   6.145  -7.040 -13.796
  211   2HG   LYS  22          3HG       LYS  22   5.624  -7.135 -12.119
  212   1HD   LYS  22          2HD       LYS  22   3.960  -8.930 -12.806
  213   2HD   LYS  22          3HD       LYS  22   4.739  -8.962 -14.388
  214   1HE   LYS  22          2HE       LYS  22   6.687  -9.968 -13.511
  215   2HE   LYS  22          3HE       LYS  22   6.510  -9.129 -11.961
  216   1HZ   LYS  22          1HZ       LYS  22   4.791 -11.398 -12.758
  217   2HZ   LYS  22          2HZ       LYS  22   6.046 -11.479 -11.690
  218   3HZ   LYS  22          3HZ       LYS  22   4.734 -10.566 -11.339
  219    H    GLY  23           H        GLY  23   6.021  -3.405 -11.847
  220   1HA   GLY  23          1HA       GLY  23   8.109  -2.529 -12.547
  221   2HA   GLY  23          2HA       GLY  23   7.884  -3.221 -14.155
  222    H    GLY  24           H        GLY  24   5.099  -1.536 -13.097
  223   1HA   GLY  24          1HA       GLY  24   5.350   0.649 -14.948
  224   2HA   GLY  24          2HA       GLY  24   4.160   0.497 -13.647
  225    HA   PRO  25           HA       PRO  25   7.829   3.506 -13.032
  226   1HB   PRO  25          2HB       PRO  25   6.585   5.978 -13.240
  227   2HB   PRO  25          3HB       PRO  25   7.308   5.078 -14.605
  228   1HG   PRO  25          2HG       PRO  25   4.404   5.123 -13.736
  229   2HG   PRO  25          3HG       PRO  25   5.067   5.327 -15.390
  230   1HD   PRO  25          2HD       PRO  25   4.114   2.934 -14.569
  231   2HD   PRO  25          3HD       PRO  25   5.612   3.014 -15.548
  232    H    HIS  26           H        HIS  26   8.438   3.852 -11.014
  233    HA   HIS  26           HA       HIS  26   6.775   4.277  -8.690
  234   1HB   HIS  26          2HB       HIS  26   9.571   5.347  -9.211
  235   2HB   HIS  26          3HB       HIS  26   8.803   5.030  -7.653
  236    HD1  HIS  26           HD1      HIS  26   7.900   1.982  -8.332
  237    HD2  HIS  26           HD2      HIS  26  11.644   3.754  -9.023
  238    HE1  HIS  26           HE1      HIS  26   9.671   0.108  -8.139
  239    H    LYS  27           H        LYS  27   5.728   6.138  -8.045
  240    HA   LYS  27           HA       LYS  27   6.214   8.602  -9.642
  241   1HB   LYS  27          2HB       LYS  27   3.721   7.078  -9.121
  242   2HB   LYS  27          3HB       LYS  27   3.554   8.802  -8.896
  243   1HG   LYS  27          2HG       LYS  27   4.841   7.675 -11.415
  244   2HG   LYS  27          3HG       LYS  27   3.095   7.776 -11.231
  245   1HD   LYS  27          2HD       LYS  27   3.840   9.688 -12.467
  246   2HD   LYS  27          3HD       LYS  27   3.209  10.213 -10.903
  247   1HE   LYS  27          2HE       LYS  27   5.515  10.478 -10.044
  248   2HE   LYS  27          3HE       LYS  27   6.171   9.859 -11.565
  249   1HZ   LYS  27          1HZ       LYS  27   4.605  12.366 -11.245
  250   2HZ   LYS  27          2HZ       LYS  27   6.224  12.265 -11.502
  251   3HZ   LYS  27          3HZ       LYS  27   5.173  11.789 -12.676
  252    H    VAL  28           H        VAL  28   4.199   8.191  -6.786
  253    HA   VAL  28           HA       VAL  28   5.807  10.341  -5.429
  254    HB   VAL  28           HB       VAL  28   2.971   9.422  -4.852
  255   1HG1  VAL  28          1HG1      VAL  28   4.548  11.804  -3.791
  256   2HG1  VAL  28          2HG1      VAL  28   2.830  11.469  -3.471
  257   3HG1  VAL  28          3HG1      VAL  28   4.069  10.372  -2.862
  258   1HG2  VAL  28          1HG2      VAL  28   3.003  10.599  -7.015
  259   2HG2  VAL  28          2HG2      VAL  28   2.252  11.603  -5.782
  260   3HG2  VAL  28          3HG2      VAL  28   3.926  11.935  -6.283
  261    H    GLY  29           H        GLY  29   4.148   7.233  -5.008
  262   1HA   GLY  29          1HA       GLY  29   6.280   6.394  -3.085
  263   2HA   GLY  29          2HA       GLY  29   4.657   5.702  -3.113
  264    HA   PRO  30           HA       PRO  30   7.677   3.376  -5.891
  265   1HB   PRO  30          2HB       PRO  30   7.967   1.027  -4.537
  266   2HB   PRO  30          3HB       PRO  30   8.831   2.516  -4.056
  267   1HG   PRO  30          2HG       PRO  30   6.210   1.448  -2.937
  268   2HG   PRO  30          3HG       PRO  30   7.684   1.924  -2.033
  269   1HD   PRO  30          2HD       PRO  30   5.609   3.635  -2.382
  270   2HD   PRO  30          3HD       PRO  30   7.291   4.216  -2.401
  271    H    ASN  31           H        ASN  31   7.427   0.996  -6.668
  272    HA   ASN  31           HA       ASN  31   4.780   0.696  -7.908
  273   1HB   ASN  31          2HB       ASN  31   6.869   0.507  -9.278
  274   2HB   ASN  31          3HB       ASN  31   7.388  -0.866  -8.278
  275   1HD2  ASN  31          2HD2      ASN  31   4.492   0.250 -10.124
  276   2HD2  ASN  31          1HD2      ASN  31   4.222  -1.358 -10.808
  277    H    LEU  32           H        LEU  32   3.325  -0.281  -6.730
  278    HA   LEU  32           HA       LEU  32   3.822  -1.940  -4.390
  279   1HB   LEU  32          2HB       LEU  32   1.228  -1.029  -5.700
  280   2HB   LEU  32          3HB       LEU  32   1.349  -1.882  -4.169
  281    HG   LEU  32           HG       LEU  32   2.279   0.946  -4.709
  282   1HD1  LEU  32          1HD1      LEU  32   0.090  -0.272  -2.953
  283   2HD1  LEU  32          2HD1      LEU  32   0.490   1.448  -3.045
  284   3HD1  LEU  32          3HD1      LEU  32  -0.158   0.616  -4.472
  285   1HD2  LEU  32          1HD2      LEU  32   3.836  -0.042  -3.108
  286   2HD2  LEU  32          2HD2      LEU  32   2.722   1.012  -2.233
  287   3HD2  LEU  32          3HD2      LEU  32   2.496  -0.752  -2.183
  288    H    HIS  33           H        HIS  33   4.379  -2.948  -7.173
  289    HA   HIS  33           HA       HIS  33   2.621  -5.260  -7.568
  290   1HB   HIS  33          2HB       HIS  33   4.054  -4.338  -9.370
  291   2HB   HIS  33          3HB       HIS  33   5.473  -4.962  -8.545
  292    HD1  HIS  33           HD1      HIS  33   2.028  -6.458  -9.667
  293    HD2  HIS  33           HD2      HIS  33   6.125  -7.411  -9.307
  294    HE1  HIS  33           HE1      HIS  33   2.288  -8.823 -10.522
  295    H    GLY  34           H        GLY  34   5.890  -5.967  -7.010
  296   1HA   GLY  34          1HA       GLY  34   5.273  -8.385  -5.529
  297   2HA   GLY  34          2HA       GLY  34   6.891  -7.796  -5.877
  298    H    ILE  35           H        ILE  35   4.422  -6.093  -3.830
  299    HA   ILE  35           HA       ILE  35   6.471  -5.838  -1.775
  300    HB   ILE  35           HB       ILE  35   5.106  -4.434  -0.569
  301   1HG1  ILE  35          2HG1      ILE  35   2.988  -5.483  -0.401
  302   2HG1  ILE  35          3HG1      ILE  35   2.794  -3.861  -1.045
  303   1HG2  ILE  35          1HG2      ILE  35   4.622  -3.837  -3.500
  304   2HG2  ILE  35          2HG2      ILE  35   4.566  -2.676  -2.154
  305   3HG2  ILE  35          3HG2      ILE  35   6.088  -3.470  -2.573
  306   1HD1  ILE  35          1HD1      ILE  35   2.542  -6.443  -2.626
  307   2HD1  ILE  35          2HD1      ILE  35   1.257  -5.311  -2.181
  308   3HD1  ILE  35          3HD1      ILE  35   2.513  -4.817  -3.318
  309    H    PHE  36           H        PHE  36   3.617  -7.958  -2.085
  310    HA   PHE  36           HA       PHE  36   3.432  -8.516   0.699
  311   1HB   PHE  36          2HB       PHE  36   2.368  -9.980  -1.729
  312   2HB   PHE  36          3HB       PHE  36   2.090 -10.534  -0.083
  313    HD1  PHE  36           HD1      PHE  36   1.245  -8.631   1.618
  314    HD2  PHE  36           HD2      PHE  36   0.629  -8.637  -2.639
  315    HE1  PHE  36           HE1      PHE  36  -0.665  -7.071   1.897
  316    HE2  PHE  36           HE2      PHE  36  -1.249  -7.033  -2.370
  317    HZ   PHE  36           HZ       PHE  36  -1.887  -6.236  -0.078
  318    H    GLY  37           H        GLY  37   4.856  -9.398   1.906
  319   1HA   GLY  37          1HA       GLY  37   6.279 -11.215   2.649
  320   2HA   GLY  37          2HA       GLY  37   6.559 -11.687   0.984
  321    H    ARG  38           H        ARG  38   6.925  -8.501   0.687
  322    HA   ARG  38           HA       ARG  38   9.847  -8.404   1.231
  323   1HB   ARG  38          2HB       ARG  38   8.386  -7.429  -0.896
  324   2HB   ARG  38          3HB       ARG  38   8.321  -6.033   0.156
  325   1HG   ARG  38          2HG       ARG  38  10.246  -5.552  -1.012
  326   2HG   ARG  38          3HG       ARG  38  10.955  -6.469   0.325
  327   1HD   ARG  38          2HD       ARG  38  10.548  -8.530  -1.288
  328   2HD   ARG  38          3HD       ARG  38  10.519  -7.293  -2.546
  329    HE   ARG  38           HE       ARG  38  12.801  -8.184  -0.893
  330   1HH1  ARG  38          1HH2      ARG  38  12.043  -5.338  -2.838
  331   2HH1  ARG  38          2HH2      ARG  38  13.612  -5.395  -3.566
  332   1HH2  ARG  38          1HH1      ARG  38  14.857  -7.818  -1.600
  333   2HH2  ARG  38          2HH1      ARG  38  15.131  -6.471  -2.652
  334    H    HIS  39           H        HIS  39  10.346  -5.862   1.999
  335    HA   HIS  39           HA       HIS  39   8.674  -5.447   4.424
  336   1HB   HIS  39          2HB       HIS  39  11.671  -5.110   4.359
  337   2HB   HIS  39          3HB       HIS  39  10.596  -4.761   5.709
  338    HD1  HIS  39           HD1      HIS  39  11.655  -7.809   3.626
  339    HD2  HIS  39           HD2      HIS  39  10.193  -6.692   7.402
  340    HE1  HIS  39           HE1      HIS  39  11.446  -9.993   5.016
  341    H    SER  40           H        SER  40   8.521  -3.406   5.301
  342    HA   SER  40           HA       SER  40   8.040  -1.329   3.539
  343   1HB   SER  40          2HB       SER  40   7.275  -0.101   5.343
  344   2HB   SER  40          3HB       SER  40   7.050  -1.761   5.824
  345    HG   SER  40           HG       SER  40   9.090   0.022   6.655
  346    H    GLY  41           H        GLY  41   9.355  -0.312   2.343
  347   1HA   GLY  41          1HA       GLY  41  11.313   1.074   1.819
  348   2HA   GLY  41          2HA       GLY  41  12.045   0.597   3.326
  349    H    GLN  42           H        GLN  42  10.778  -1.648   0.778
  350    HA   GLN  42           HA       GLN  42  13.579  -2.308   0.020
  351   1HB   GLN  42          2HB       GLN  42  11.465  -4.336   0.757
  352   2HB   GLN  42          3HB       GLN  42  12.989  -4.708  -0.073
  353   1HG   GLN  42          2HG       GLN  42  14.151  -3.567   1.905
  354   2HG   GLN  42          3HG       GLN  42  12.621  -3.709   2.750
  355   1HE2  GLN  42          2HE2      GLN  42  15.434  -5.158   2.964
  356   2HE2  GLN  42          1HE2      GLN  42  14.899  -6.835   3.126
  357    H    ALA  43           H        ALA  43  12.533  -0.662  -1.597
  358    HA   ALA  43           HA       ALA  43  12.387  -2.406  -4.024
  359   1HB   ALA  43          1HB       ALA  43  11.265   0.412  -3.858
  360   2HB   ALA  43          2HB       ALA  43  11.298  -0.642  -5.281
  361   3HB   ALA  43          3HB       ALA  43  10.318  -1.092  -3.869
  362    H    GLU  44           H        GLU  44  14.429  -2.671  -4.546
  363    HA   GLU  44           HA       GLU  44  16.599  -0.920  -4.222
  364   1HB   GLU  44          2HB       GLU  44  16.188  -3.256  -6.136
  365   2HB   GLU  44          3HB       GLU  44  17.705  -2.393  -5.916
  366   1HG   GLU  44          2HG       GLU  44  18.000  -4.224  -4.580
  367   2HG   GLU  44          3HG       GLU  44  17.584  -2.954  -3.437
  368    H    GLY  45           H        GLY  45  15.778   1.114  -4.925
  369   1HA   GLY  45          1HA       GLY  45  17.237   2.221  -6.930
  370   2HA   GLY  45          2HA       GLY  45  15.847   1.668  -7.851
  371    H    TYR  46           H        TYR  46  14.397   2.530  -5.030
  372    HA   TYR  46           HA       TYR  46  14.047   5.390  -5.858
  373   1HB   TYR  46          2HB       TYR  46  12.320   3.851  -6.710
  374   2HB   TYR  46          3HB       TYR  46  11.821   3.488  -5.076
  375    HD1  TYR  46           HD1      TYR  46  11.676   5.844  -7.849
  376    HD2  TYR  46           HD2      TYR  46  11.046   5.491  -3.606
  377    HE1  TYR  46           HE1      TYR  46  10.212   7.856  -7.912
  378    HE2  TYR  46           HE2      TYR  46   9.607   7.554  -3.668
  379    HH   TYR  46           HH       TYR  46   8.542   9.082  -6.649
  380    H    SER  47           H        SER  47  14.100   6.899  -4.384
  381    HA   SER  47           HA       SER  47  14.998   6.277  -1.733
  382   1HB   SER  47          2HB       SER  47  14.288   8.929  -3.017
  383   2HB   SER  47          3HB       SER  47  15.073   8.729  -1.433
  384    HG   SER  47           HG       SER  47  16.645   8.977  -3.059
  385    H    TYR  48           H        TYR  48  13.469   5.246  -0.606
  386    HA   TYR  48           HA       TYR  48  10.905   6.081   0.264
  387   1HB   TYR  48          2HB       TYR  48  13.096   4.334   1.423
  388   2HB   TYR  48          3HB       TYR  48  11.574   4.528   2.254
  389    HD1  TYR  48           HD1      TYR  48   9.520   3.606   1.500
  390    HD2  TYR  48           HD2      TYR  48  13.167   3.030  -0.723
  391    HE1  TYR  48           HE1      TYR  48   8.526   1.635   0.362
  392    HE2  TYR  48           HE2      TYR  48  12.125   1.151  -1.926
  393    HH   TYR  48           HH       TYR  48   8.903  -0.200  -0.968
  394    H    THR  49           H        THR  49  10.978   6.111   3.030
  395    HA   THR  49           HA       THR  49  12.628   8.461   3.921
  396    HB   THR  49           HB       THR  49  11.006   8.585   5.841
  397    HG1  THR  49           1HG      THR  49   9.457   6.860   4.175
  398   1HG2  THR  49          1HG2      THR  49   9.744   8.940   3.117
  399   2HG2  THR  49          2HG2      THR  49   9.258   9.745   4.629
  400   3HG2  THR  49          3HG2      THR  49  10.831  10.110   3.903
  401    H    ASP  50           H        ASP  50  13.831   8.275   5.809
  402    HA   ASP  50           HA       ASP  50  14.812   5.816   6.765
  403   1HB   ASP  50          2HB       ASP  50  15.867   7.994   7.227
  404   2HB   ASP  50          3HB       ASP  50  14.511   8.449   8.272
  405    H    ALA  51           H        ALA  51  12.257   7.841   8.249
  406    HA   ALA  51           HA       ALA  51  11.400   6.259  10.304
  407   1HB   ALA  51          1HB       ALA  51   9.639   7.870   8.396
  408   2HB   ALA  51          2HB       ALA  51   9.210   7.372  10.046
  409   3HB   ALA  51          3HB       ALA  51  10.534   8.516   9.792
  410    H    ASN  52           H        ASN  52  10.461   5.769   6.887
  411    HA   ASN  52           HA       ASN  52   8.725   3.498   7.451
  412   1HB   ASN  52          2HB       ASN  52   8.475   5.024   5.515
  413   2HB   ASN  52          3HB       ASN  52  10.035   4.471   4.873
  414   1HD2  ASN  52          2HD2      ASN  52   8.087   4.312   3.239
  415   2HD2  ASN  52          1HD2      ASN  52   7.553   2.606   3.061
  416    H    ILE  53           H        ILE  53  11.996   3.764   6.062
  417    HA   ILE  53           HA       ILE  53  12.466   0.986   5.745
  418    HB   ILE  53           HB       ILE  53  14.379   3.247   6.326
  419   1HG1  ILE  53          2HG1      ILE  53  13.995   1.921   3.606
  420   2HG1  ILE  53          3HG1      ILE  53  12.976   3.261   4.110
  421   1HG2  ILE  53          1HG2      ILE  53  15.033   0.431   5.333
  422   2HG2  ILE  53          2HG2      ILE  53  16.199   1.767   5.351
  423   3HG2  ILE  53          3HG2      ILE  53  15.560   1.167   6.865
  424   1HD1  ILE  53          1HD1      ILE  53  16.015   3.380   3.859
  425   2HD1  ILE  53          2HD1      ILE  53  14.838   4.096   2.764
  426   3HD1  ILE  53          3HD1      ILE  53  14.972   4.703   4.422
  427    H    LYS  54           H        LYS  54  13.436   3.056   8.425
  428    HA   LYS  54           HA       LYS  54  14.426   0.911  10.095
  429   1HB   LYS  54          2HB       LYS  54  13.591   3.798  10.662
  430   2HB   LYS  54          3HB       LYS  54  14.249   2.724  11.876
  431   1HG   LYS  54          2HG       LYS  54  16.238   2.367  10.154
  432   2HG   LYS  54          3HG       LYS  54  15.583   3.804   9.372
  433   1HD   LYS  54          2HD       LYS  54  17.201   4.717  10.724
  434   2HD   LYS  54          3HD       LYS  54  15.788   4.917  11.749
  435   1HE   LYS  54          2HE       LYS  54  17.864   2.676  11.897
  436   2HE   LYS  54          3HE       LYS  54  17.842   4.111  12.928
  437   1HZ   LYS  54          1HZ       LYS  54  15.710   2.056  12.830
  438   2HZ   LYS  54          2HZ       LYS  54  16.811   2.217  14.045
  439   3HZ   LYS  54          3HZ       LYS  54  15.690   3.395  13.774
  440    H    LYS  55           H        LYS  55  11.297   1.528   9.209
  441    HA   LYS  55           HA       LYS  55  10.176   0.437  11.781
  442   1HB   LYS  55          2HB       LYS  55   9.063   2.381  10.717
  443   2HB   LYS  55          3HB       LYS  55   8.559   1.363   9.367
  444   1HG   LYS  55          2HG       LYS  55   7.919   0.620  12.236
  445   2HG   LYS  55          3HG       LYS  55   7.000   1.891  11.456
  446   1HD   LYS  55          2HD       LYS  55   5.907   0.514   9.999
  447   2HD   LYS  55          3HD       LYS  55   7.210  -0.653   9.887
  448   1HE   LYS  55          2HE       LYS  55   5.339  -0.307  12.283
  449   2HE   LYS  55          3HE       LYS  55   5.210  -1.547  11.042
  450   1HZ   LYS  55          1HZ       LYS  55   7.363  -1.256  13.031
  451   2HZ   LYS  55          2HZ       LYS  55   6.394  -2.562  12.776
  452   3HZ   LYS  55          3HZ       LYS  55   7.586  -2.151  11.689
  453    H    ASN  56           H        ASN  56  11.058  -0.499   8.623
  454    HA   ASN  56           HA       ASN  56  10.580  -2.306   7.314
  455   1HB   ASN  56          2HB       ASN  56  12.808  -2.340   8.978
  456   2HB   ASN  56          3HB       ASN  56  12.197  -3.972   9.137
  457   1HD2  ASN  56          2HD2      ASN  56  12.849  -1.467   6.587
  458   2HD2  ASN  56          1HD2      ASN  56  13.390  -2.724   5.448
  459    H    VAL  57           H        VAL  57   8.256  -2.341   7.837
  460    HA   VAL  57           HA       VAL  57   7.340  -4.749   9.310
  461    HB   VAL  57           HB       VAL  57   6.064  -2.310   8.588
  462   1HG1  VAL  57          1HG1      VAL  57   4.596  -4.605   7.243
  463   2HG1  VAL  57          2HG1      VAL  57   3.958  -2.988   7.587
  464   3HG1  VAL  57          3HG1      VAL  57   5.292  -3.172   6.445
  465   1HG2  VAL  57          1HG2      VAL  57   5.798  -3.675  10.658
  466   2HG2  VAL  57          2HG2      VAL  57   4.224  -3.302   9.923
  467   3HG2  VAL  57          3HG2      VAL  57   4.939  -4.901   9.730
  468    H    LEU  58           H        LEU  58   7.195  -6.674   8.478
  469    HA   LEU  58           HA       LEU  58   7.692  -7.270   5.688
  470   1HB   LEU  58          2HB       LEU  58   8.228  -8.724   7.687
  471   2HB   LEU  58          3HB       LEU  58   6.515  -9.107   7.814
  472    HG   LEU  58           HG       LEU  58   8.214  -9.618   5.313
  473   1HD1  LEU  58          1HD1      LEU  58   7.399 -11.560   7.520
  474   2HD1  LEU  58          2HD1      LEU  58   8.317 -11.949   6.043
  475   3HD1  LEU  58          3HD1      LEU  58   9.034 -10.899   7.270
  476   1HD2  LEU  58          1HD2      LEU  58   5.896  -9.651   4.668
  477   2HD2  LEU  58          2HD2      LEU  58   6.368 -11.335   4.878
  478   3HD2  LEU  58          3HD2      LEU  58   5.423 -10.529   6.141
  479    H    TRP  59           H        TRP  59   6.245  -6.492   4.282
  480    HA   TRP  59           HA       TRP  59   3.527  -5.902   4.839
  481   1HB   TRP  59          2HB       TRP  59   4.957  -6.290   2.211
  482   2HB   TRP  59          3HB       TRP  59   3.302  -5.702   2.322
  483    HD1  TRP  59           HD1      TRP  59   6.527  -4.348   1.703
  484    HE1  TRP  59           HE1      TRP  59   6.650  -1.829   2.258
  485    HE3  TRP  59           HE3      TRP  59   2.409  -3.896   4.742
  486    HZ2  TRP  59           HZ2      TRP  59   5.516  -0.070   4.109
  487    HZ3  TRP  59           HZ3      TRP  59   1.991  -1.753   5.937
  488    HH2  TRP  59           HH2      TRP  59   3.551   0.158   5.664
  489    H    ASP  60           H        ASP  60   1.922  -7.137   5.240
  490    HA   ASP  60           HA       ASP  60   1.277  -9.618   3.749
  491   1HB   ASP  60          2HB       ASP  60   1.936 -10.609   5.727
  492   2HB   ASP  60          3HB       ASP  60   1.626  -9.174   6.681
  493    H    GLU  61           H        GLU  61  -1.130 -10.069   4.295
  494    HA   GLU  61           HA       GLU  61  -2.717  -7.944   3.070
  495   1HB   GLU  61          2HB       GLU  61  -3.378 -10.683   4.227
  496   2HB   GLU  61          3HB       GLU  61  -4.578  -9.636   3.456
  497   1HG   GLU  61          2HG       GLU  61  -3.452  -9.704   1.338
  498   2HG   GLU  61          3HG       GLU  61  -2.012 -10.436   2.024
  499    H    ASN  62           H        ASN  62  -2.485  -9.247   6.401
  500    HA   ASN  62           HA       ASN  62  -4.461  -7.271   7.411
  501   1HB   ASN  62          2HB       ASN  62  -3.300  -9.827   8.364
  502   2HB   ASN  62          3HB       ASN  62  -3.307  -8.569   9.600
  503   1HD2  ASN  62          2HD2      ASN  62  -5.144 -11.102   8.762
  504   2HD2  ASN  62          1HD2      ASN  62  -6.708 -10.348   9.126
  505    H    ASN  63           H        ASN  63  -0.993  -7.998   7.692
  506    HA   ASN  63           HA       ASN  63  -0.303  -5.898   9.469
  507   1HB   ASN  63          2HB       ASN  63   0.934  -8.048   8.584
  508   2HB   ASN  63          3HB       ASN  63   1.563  -6.964   7.326
  509   1HD2  ASN  63          2HD2      ASN  63   3.690  -7.436   8.152
  510   2HD2  ASN  63          1HD2      ASN  63   4.134  -6.788   9.742
  511    H    MET  64           H        MET  64  -0.475  -5.812   5.889
  512    HA   MET  64           HA       MET  64   0.345  -3.039   5.614
  513   1HB   MET  64          2HB       MET  64   0.250  -4.716   3.722
  514   2HB   MET  64          3HB       MET  64  -1.516  -4.662   3.840
  515   1HG   MET  64          2HG       MET  64  -1.387  -2.191   3.400
  516   2HG   MET  64          3HG       MET  64   0.343  -2.356   3.149
  517   1HE   MET  64          1HE       MET  64   0.665  -5.035   1.487
  518   2HE   MET  64          2HE       MET  64   0.524  -4.412  -0.167
  519   3HE   MET  64          3HE       MET  64   1.439  -3.498   1.057
  520    H    SER  65           H        SER  65  -2.691  -4.673   6.321
  521    HA   SER  65           HA       SER  65  -4.392  -2.368   6.044
  522   1HB   SER  65          2HB       SER  65  -4.897  -5.072   7.338
  523   2HB   SER  65          3HB       SER  65  -6.109  -3.819   7.070
  524    HG   SER  65           HG       SER  65  -4.811  -5.457   5.222
  525    H    GLU  66           H        GLU  66  -2.316  -3.315   8.685
  526    HA   GLU  66           HA       GLU  66  -3.614  -1.593  10.652
  527   1HB   GLU  66          2HB       GLU  66  -1.987  -3.428  11.218
  528   2HB   GLU  66          3HB       GLU  66  -0.693  -2.446  10.499
  529   1HG   GLU  66          2HG       GLU  66  -1.226  -0.615  12.109
  530   2HG   GLU  66          3HG       GLU  66  -2.526  -1.593  12.788
  531    H    TYR  67           H        TYR  67  -0.613  -1.153   8.734
  532    HA   TYR  67           HA       TYR  67  -0.241   1.596   8.966
  533   1HB   TYR  67          2HB       TYR  67   1.337   0.087   7.870
  534   2HB   TYR  67          3HB       TYR  67   0.213  -0.225   6.583
  535    HD1  TYR  67           HD1      TYR  67   0.764   0.739   4.523
  536    HD2  TYR  67           HD2      TYR  67   1.756   2.797   8.156
  537    HE1  TYR  67           HE1      TYR  67   2.037   2.399   3.223
  538    HE2  TYR  67           HE2      TYR  67   3.022   4.523   6.838
  539    HH   TYR  67           HH       TYR  67   3.531   4.080   3.339
  540    H    LEU  68           H        LEU  68  -2.131   0.050   6.320
  541    HA   LEU  68           HA       LEU  68  -3.088   2.472   5.161
  542   1HB   LEU  68          2HB       LEU  68  -4.276  -0.320   5.226
  543   2HB   LEU  68          3HB       LEU  68  -4.916   0.983   4.230
  544    HG   LEU  68           HG       LEU  68  -2.096  -0.141   3.966
  545   1HD1  LEU  68          1HD1      LEU  68  -4.609  -0.524   2.274
  546   2HD1  LEU  68          2HD1      LEU  68  -2.995  -1.128   1.874
  547   3HD1  LEU  68          3HD1      LEU  68  -3.840  -1.763   3.295
  548   1HD2  LEU  68          1HD2      LEU  68  -2.179   2.170   3.215
  549   2HD2  LEU  68          2HD2      LEU  68  -2.066   1.072   1.848
  550   3HD2  LEU  68          3HD2      LEU  68  -3.632   1.828   2.237
  551    H    THR  69           H        THR  69  -4.179   1.006   8.144
  552    HA   THR  69           HA       THR  69  -6.779   2.339   8.154
  553    HB   THR  69           HB       THR  69  -5.606   0.333   9.673
  554    HG1  THR  69           1HG      THR  69  -7.635   0.595  10.807
  555   1HG2  THR  69          1HG2      THR  69  -6.251   2.591  11.608
  556   2HG2  THR  69          2HG2      THR  69  -5.853   0.903  11.994
  557   3HG2  THR  69          3HG2      THR  69  -4.617   1.951  11.303
  558    H    ASN  70           H        ASN  70  -3.539   3.258   9.183
  559    HA   ASN  70           HA       ASN  70  -4.303   6.058   9.297
  560   1HB   ASN  70          2HB       ASN  70  -5.141   5.041  11.539
  561   2HB   ASN  70          3HB       ASN  70  -3.456   4.920  11.995
  562   1HD2  ASN  70          2HD2      ASN  70  -2.270   7.157  11.430
  563   2HD2  ASN  70          1HD2      ASN  70  -3.184   8.585  12.007
  564    HA   PRO  71           HA       PRO  71  -0.081   4.443   8.257
  565   1HB   PRO  71          2HB       PRO  71   0.543   6.017   6.059
  566   2HB   PRO  71          3HB       PRO  71  -0.487   4.553   5.997
  567   1HG   PRO  71          2HG       PRO  71  -1.382   7.446   6.251
  568   2HG   PRO  71          3HG       PRO  71  -1.975   6.204   5.115
  569   1HD   PRO  71          2HD       PRO  71  -3.331   6.718   7.363
  570   2HD   PRO  71          3HD       PRO  71  -3.107   5.019   6.844
  571    H    LYS  72           H        LYS  72  -0.777   7.864   8.295
  572    HA   LYS  72           HA       LYS  72   1.811   8.906   8.815
  573   1HB   LYS  72          2HB       LYS  72  -0.293  10.051   7.978
  574   2HB   LYS  72          3HB       LYS  72  -0.886  10.069   9.649
  575   1HG   LYS  72          2HG       LYS  72   1.094  11.445  10.296
  576   2HG   LYS  72          3HG       LYS  72   1.664  11.407   8.625
  577   1HD   LYS  72          2HD       LYS  72  -0.958  12.660   9.592
  578   2HD   LYS  72          3HD       LYS  72   0.548  13.510   9.279
  579   1HE   LYS  72          2HE       LYS  72  -0.430  13.935   7.290
  580   2HE   LYS  72          3HE       LYS  72   0.374  12.418   6.875
  581   1HZ   LYS  72          1HZ       LYS  72  -2.485  12.663   7.680
  582   2HZ   LYS  72          2HZ       LYS  72  -1.940  12.502   6.139
  583   3HZ   LYS  72          3HZ       LYS  72  -1.756  11.274   7.147
  584    H    LYS  73           H        LYS  73  -0.184   7.177  11.004
  585    HA   LYS  73           HA       LYS  73   1.359   8.193  13.373
  586   1HB   LYS  73          2HB       LYS  73  -1.093   7.918  13.770
  587   2HB   LYS  73          3HB       LYS  73  -0.949   6.191  13.382
  588   1HG   LYS  73          2HG       LYS  73   0.733   5.979  15.264
  589   2HG   LYS  73          3HG       LYS  73   0.447   7.674  15.663
  590   1HD   LYS  73          2HD       LYS  73  -1.884   7.118  16.271
  591   2HD   LYS  73          3HD       LYS  73  -1.623   5.433  15.741
  592   1HE   LYS  73          2HE       LYS  73   0.292   5.266  17.372
  593   2HE   LYS  73          3HE       LYS  73  -0.093   6.884  17.958
  594   1HZ   LYS  73          1HZ       LYS  73  -1.878   4.516  18.132
  595   2HZ   LYS  73          2HZ       LYS  73  -1.040   5.175  19.375
  596   3HZ   LYS  73          3HZ       LYS  73  -2.262   6.023  18.685
  597    H    TYR  74           H        TYR  74   0.660   5.234  11.551
  598    HA   TYR  74           HA       TYR  74   2.178   3.473  13.181
  599   1HB   TYR  74          2HB       TYR  74   0.304   2.981  11.528
  600   2HB   TYR  74          3HB       TYR  74   1.468   3.188  10.237
  601    HD1  TYR  74           HD1      TYR  74   2.643   1.212   9.495
  602    HD2  TYR  74           HD2      TYR  74   1.006   1.374  13.500
  603    HE1  TYR  74           HE1      TYR  74   3.228  -1.183   9.861
  604    HE2  TYR  74           HE2      TYR  74   1.751  -0.942  13.891
  605    HH   TYR  74           HH       TYR  74   2.008  -2.877  12.521
  606    H    ILE  75           H        ILE  75   3.006   5.233  10.277
  607    HA   ILE  75           HA       ILE  75   5.906   4.809  10.900
  608    HB   ILE  75           HB       ILE  75   4.774   5.311   8.137
  609   1HG1  ILE  75          2HG1      ILE  75   5.889   2.787   9.442
  610   2HG1  ILE  75          3HG1      ILE  75   4.247   3.027   8.852
  611   1HG2  ILE  75          1HG2      ILE  75   7.580   4.701   9.156
  612   2HG2  ILE  75          2HG2      ILE  75   7.121   5.010   7.465
  613   3HG2  ILE  75          3HG2      ILE  75   7.041   6.310   8.639
  614   1HD1  ILE  75          1HD1      ILE  75   6.754   2.653   7.219
  615   2HD1  ILE  75          2HD1      ILE  75   5.282   1.685   7.230
  616   3HD1  ILE  75          3HD1      ILE  75   5.266   3.309   6.508
  617    HA   PRO  76           HA       PRO  76   4.561   9.107  11.765
  618   1HB   PRO  76          2HB       PRO  76   6.231   9.673  13.845
  619   2HB   PRO  76          3HB       PRO  76   4.755   8.670  14.014
  620   1HG   PRO  76          2HG       PRO  76   7.615   7.721  13.672
  621   2HG   PRO  76          3HG       PRO  76   6.394   7.162  14.857
  622   1HD   PRO  76          2HD       PRO  76   6.894   5.849  12.512
  623   2HD   PRO  76          3HD       PRO  76   5.259   5.899  13.230
  624    H    GLY  77           H        GLY  77   5.253   9.837   9.792
  625   1HA   GLY  77          1HA       GLY  77   6.754  11.739   9.018
  626   2HA   GLY  77          2HA       GLY  77   8.113  10.770   9.556
  627    H    THR  78           H        THR  78   5.900   8.623   8.116
  628    HA   THR  78           HA       THR  78   7.388   8.184   5.719
  629    HB   THR  78           HB       THR  78   5.772   6.563   6.521
  630    HG1  THR  78           1HG      THR  78   4.940   6.026   4.597
  631   1HG2  THR  78          1HG2      THR  78   3.540   8.449   5.644
  632   2HG2  THR  78          2HG2      THR  78   3.369   6.808   6.294
  633   3HG2  THR  78          3HG2      THR  78   3.956   8.116   7.322
  634    H    LYS  79           H        LYS  79   7.100   8.860   3.569
  635    HA   LYS  79           HA       LYS  79   5.883  11.473   3.047
  636   1HB   LYS  79          2HB       LYS  79   6.854   9.291   1.183
  637   2HB   LYS  79          3HB       LYS  79   6.127  10.813   0.622
  638   1HG   LYS  79          2HG       LYS  79   7.944  12.068   1.788
  639   2HG   LYS  79          3HG       LYS  79   8.698  10.520   2.155
  640   1HD   LYS  79          2HD       LYS  79   8.282  10.227  -0.564
  641   2HD   LYS  79          3HD       LYS  79   8.465  11.973  -0.440
  642   1HE   LYS  79          2HE       LYS  79  10.670  11.317  -0.771
  643   2HE   LYS  79          3HE       LYS  79  10.595  11.396   0.997
  644   1HZ   LYS  79          1HZ       LYS  79  10.592   9.000  -0.745
  645   2HZ   LYS  79          2HZ       LYS  79  11.555   9.284   0.505
  646   3HZ   LYS  79          3HZ       LYS  79   9.974   8.868   0.750
  647    H    MET  80           H        MET  80   4.372   8.337   3.449
  648    HA   MET  80           HA       MET  80   2.107   8.872   1.756
  649   1HB   MET  80          2HB       MET  80   2.796   6.610   2.466
  650   2HB   MET  80          3HB       MET  80   2.361   6.979   4.124
  651   1HG   MET  80          2HG       MET  80   0.146   6.954   3.731
  652   2HG   MET  80          3HG       MET  80   0.265   7.529   2.071
  653   1HE   MET  80          1HE       MET  80  -1.889   5.888   1.826
  654   2HE   MET  80          2HE       MET  80  -1.779   4.117   1.930
  655   3HE   MET  80          3HE       MET  80  -1.670   5.079   3.397
  656    H    ALA  81           H        ALA  81   1.968  11.128   2.419
  657    HA   ALA  81           HA       ALA  81   0.901  12.012   4.852
  658   1HB   ALA  81          1HB       ALA  81   0.602  13.204   2.056
  659   2HB   ALA  81          2HB       ALA  81   0.399  14.090   3.581
  660   3HB   ALA  81          3HB       ALA  81   1.992  13.444   3.141
  661    H    PHE  82           H        PHE  82  -0.601   9.907   3.201
  662    HA   PHE  82           HA       PHE  82  -3.320  10.651   2.719
  663   1HB   PHE  82          2HB       PHE  82  -2.114   8.682   1.797
  664   2HB   PHE  82          3HB       PHE  82  -2.085   7.959   3.396
  665    HD1  PHE  82           HD1      PHE  82  -4.376   9.121   0.654
  666    HD2  PHE  82           HD2      PHE  82  -3.895   6.584   4.111
  667    HE1  PHE  82           HE1      PHE  82  -6.488   7.963   0.102
  668    HE2  PHE  82           HE2      PHE  82  -6.015   5.436   3.558
  669    HZ   PHE  82           HZ       PHE  82  -7.332   6.131   1.578
  670    H    GLY  83           H        GLY  83  -5.216   9.850   3.861
  671   1HA   GLY  83          1HA       GLY  83  -5.220  10.662   6.667
  672   2HA   GLY  83          2HA       GLY  83  -6.612  10.143   5.711
  673    H    GLY  84           H        GLY  84  -6.431   7.693   5.086
  674   1HA   GLY  84          1HA       GLY  84  -5.462   5.507   6.046
  675   2HA   GLY  84          2HA       GLY  84  -6.008   6.138   7.598
  676    H    LEU  85           H        LEU  85  -6.864   3.998   5.307
  677    HA   LEU  85           HA       LEU  85  -9.766   4.469   5.100
  678   1HB   LEU  85          2HB       LEU  85  -7.961   2.153   4.292
  679   2HB   LEU  85          3HB       LEU  85  -9.706   2.170   4.046
  680    HG   LEU  85           HG       LEU  85  -7.717   4.051   2.735
  681   1HD1  LEU  85          1HD1      LEU  85  -9.335   1.678   1.707
  682   2HD1  LEU  85          2HD1      LEU  85  -8.422   2.780   0.676
  683   3HD1  LEU  85          3HD1      LEU  85  -7.571   1.782   1.871
  684   1HD2  LEU  85          1HD2      LEU  85  -9.883   5.188   3.014
  685   2HD2  LEU  85          2HD2      LEU  85  -9.621   4.743   1.330
  686   3HD2  LEU  85          3HD2      LEU  85 -10.731   3.778   2.332
  687    H    LYS  86           H        LYS  86  -9.854   4.653   7.506
  688    HA   LYS  86           HA       LYS  86  -9.594   2.415   9.223
  689   1HB   LYS  86          2HB       LYS  86 -11.423   4.840   9.475
  690   2HB   LYS  86          3HB       LYS  86 -11.117   3.673  10.782
  691   1HG   LYS  86          2HG       LYS  86  -8.709   4.095  10.658
  692   2HG   LYS  86          3HG       LYS  86  -8.945   5.226   9.316
  693   1HD   LYS  86          2HD       LYS  86 -10.208   6.745  10.809
  694   2HD   LYS  86          3HD       LYS  86  -9.870   5.635  12.175
  695   1HE   LYS  86          2HE       LYS  86  -7.433   5.788  11.650
  696   2HE   LYS  86          3HE       LYS  86  -7.770   6.898  10.331
  697   1HZ   LYS  86          1HZ       LYS  86  -8.363   7.446  13.180
  698   2HZ   LYS  86          2HZ       LYS  86  -7.043   7.978  12.363
  699   3HZ   LYS  86          3HZ       LYS  86  -8.547   8.518  11.934
  700    H    LYS  87           H        LYS  87 -12.066   2.857   6.933
  701    HA   LYS  87           HA       LYS  87 -14.042   0.977   8.022
  702   1HB   LYS  87          2HB       LYS  87 -13.608   2.368   5.379
  703   2HB   LYS  87          3HB       LYS  87 -14.392   0.800   5.332
  704   1HG   LYS  87          2HG       LYS  87 -16.169   2.212   5.415
  705   2HG   LYS  87          3HG       LYS  87 -16.045   1.619   7.069
  706   1HD   LYS  87          2HD       LYS  87 -14.958   3.762   7.742
  707   2HD   LYS  87          3HD       LYS  87 -15.029   4.314   6.045
  708   1HE   LYS  87          2HE       LYS  87 -17.515   3.981   6.081
  709   2HE   LYS  87          3HE       LYS  87 -17.414   3.541   7.792
  710   1HZ   LYS  87          1HZ       LYS  87 -16.712   6.193   6.644
  711   2HZ   LYS  87          2HZ       LYS  87 -18.030   5.845   7.546
  712   3HZ   LYS  87          3HZ       LYS  87 -16.545   5.781   8.230
  713    H    GLU  88           H        GLU  88 -13.511  -1.013   8.466
  714    HA   GLU  88           HA       GLU  88 -11.590  -2.734   7.419
  715   1HB   GLU  88          2HB       GLU  88 -13.136  -3.089   9.340
  716   2HB   GLU  88          3HB       GLU  88 -14.457  -3.400   8.214
  717   1HG   GLU  88          2HG       GLU  88 -13.315  -5.379   7.347
  718   2HG   GLU  88          3HG       GLU  88 -11.876  -5.022   8.321
  719    H    LYS  89           H        LYS  89 -14.874  -2.198   6.058
  720    HA   LYS  89           HA       LYS  89 -14.685  -4.036   3.932
  721   1HB   LYS  89          2HB       LYS  89 -16.641  -3.008   3.083
  722   2HB   LYS  89          3HB       LYS  89 -16.770  -3.248   4.811
  723   1HG   LYS  89          2HG       LYS  89 -16.634  -0.943   5.307
  724   2HG   LYS  89          3HG       LYS  89 -16.060  -0.508   3.697
  725   1HD   LYS  89          2HD       LYS  89 -18.808  -1.700   4.186
  726   2HD   LYS  89          3HD       LYS  89 -18.466   0.042   4.138
  727   1HE   LYS  89          2HE       LYS  89 -17.536  -0.168   1.854
  728   2HE   LYS  89          3HE       LYS  89 -17.849  -1.903   1.862
  729   1HZ   LYS  89          1HZ       LYS  89 -19.930   0.197   2.055
  730   2HZ   LYS  89          2HZ       LYS  89 -19.606  -0.712   0.731
  731   3HZ   LYS  89          3HZ       LYS  89 -20.224  -1.421   2.081
  732    H    ASP  90           H        ASP  90 -13.975  -0.514   3.793
  733    HA   ASP  90           HA       ASP  90 -13.367  -0.264   1.066
  734   1HB   ASP  90          2HB       ASP  90 -12.281   1.044   3.603
  735   2HB   ASP  90          3HB       ASP  90 -11.728   1.465   2.007
  736    H    ARG  91           H        ARG  91 -11.306  -1.265   3.825
  737    HA   ARG  91           HA       ARG  91  -8.995  -1.825   2.135
  738   1HB   ARG  91          2HB       ARG  91  -9.483  -2.736   5.001
  739   2HB   ARG  91          3HB       ARG  91  -7.957  -2.782   4.105
  740   1HG   ARG  91          2HG       ARG  91  -8.401  -0.209   3.734
  741   2HG   ARG  91          3HG       ARG  91  -9.497  -0.372   5.096
  742   1HD   ARG  91          2HD       ARG  91  -6.505  -0.865   4.998
  743   2HD   ARG  91          3HD       ARG  91  -7.310   0.465   5.817
  744    HE   ARG  91           HE       ARG  91  -6.542  -1.845   7.040
  745   1HH1  ARG  91          1HH2      ARG  91  -9.546  -0.087   7.083
  746   2HH1  ARG  91          2HH2      ARG  91  -9.976  -0.754   8.637
  747   1HH2  ARG  91          1HH1      ARG  91  -7.040  -2.513   8.898
  748   2HH2  ARG  91          2HH1      ARG  91  -8.590  -2.191   9.627
  749    H    ASN  92           H        ASN  92 -11.563  -3.946   3.446
  750    HA   ASN  92           HA       ASN  92 -10.403  -6.404   2.521
  751   1HB   ASN  92          2HB       ASN  92 -13.168  -5.539   3.333
  752   2HB   ASN  92          3HB       ASN  92 -12.970  -7.055   2.463
  753   1HD2  ASN  92          2HD2      ASN  92 -11.609  -5.344   5.361
  754   2HD2  ASN  92          1HD2      ASN  92 -11.197  -6.888   6.136
  755    H    ASP  93           H        ASP  93 -12.644  -4.197   0.775
  756    HA   ASP  93           HA       ASP  93 -12.501  -5.649  -1.731
  757   1HB   ASP  93          2HB       ASP  93 -13.251  -2.855  -0.903
  758   2HB   ASP  93          3HB       ASP  93 -12.833  -3.128  -2.588
  759    H    LEU  94           H        LEU  94 -10.479  -2.907  -0.541
  760    HA   LEU  94           HA       LEU  94  -8.772  -2.710  -2.730
  761   1HB   LEU  94          2HB       LEU  94  -8.896  -1.661  -0.089
  762   2HB   LEU  94          3HB       LEU  94  -7.326  -2.373  -0.191
  763    HG   LEU  94           HG       LEU  94  -7.227  -0.045  -0.715
  764   1HD1  LEU  94          1HD1      LEU  94  -6.890  -1.545  -3.340
  765   2HD1  LEU  94          2HD1      LEU  94  -6.144  -0.001  -2.866
  766   3HD1  LEU  94          3HD1      LEU  94  -5.705  -1.493  -2.019
  767   1HD2  LEU  94          1HD2      LEU  94  -9.592   0.157  -1.461
  768   2HD2  LEU  94          2HD2      LEU  94  -8.431   1.037  -2.484
  769   3HD2  LEU  94          3HD2      LEU  94  -9.129  -0.498  -3.045
  770    H    ILE  95           H        ILE  95  -8.187  -4.722   0.150
  771    HA   ILE  95           HA       ILE  95  -5.780  -6.011  -0.604
  772    HB   ILE  95           HB       ILE  95  -8.126  -7.031   1.032
  773   1HG1  ILE  95          2HG1      ILE  95  -5.490  -6.022   2.186
  774   2HG1  ILE  95          3HG1      ILE  95  -6.763  -4.895   1.802
  775   1HG2  ILE  95          1HG2      ILE  95  -5.270  -8.105   0.916
  776   2HG2  ILE  95          2HG2      ILE  95  -6.499  -8.615   2.088
  777   3HG2  ILE  95          3HG2      ILE  95  -6.733  -8.957   0.384
  778   1HD1  ILE  95          1HD1      ILE  95  -6.792  -7.089   3.876
  779   2HD1  ILE  95          2HD1      ILE  95  -7.257  -5.378   4.021
  780   3HD1  ILE  95          3HD1      ILE  95  -8.326  -6.500   3.204
  781    H    THR  96           H        THR  96  -9.151  -7.108  -1.120
  782    HA   THR  96           HA       THR  96  -8.508  -9.508  -2.480
  783    HB   THR  96           HB       THR  96 -11.014  -7.843  -3.022
  784    HG1  THR  96           1HG      THR  96 -10.900  -8.179  -0.821
  785   1HG2  THR  96          1HG2      THR  96 -10.451 -10.844  -3.147
  786   2HG2  THR  96          2HG2      THR  96 -12.052 -10.105  -3.318
  787   3HG2  THR  96          3HG2      THR  96 -10.804  -9.784  -4.531
  788    H    TYR  97           H        TYR  97  -8.708  -6.242  -3.728
  789    HA   TYR  97           HA       TYR  97  -8.184  -6.988  -6.544
  790   1HB   TYR  97          2HB       TYR  97  -9.366  -4.984  -6.292
  791   2HB   TYR  97          3HB       TYR  97  -8.357  -4.403  -4.987
  792    HD1  TYR  97           HD1      TYR  97  -6.592  -2.910  -5.401
  793    HD2  TYR  97           HD2      TYR  97  -8.161  -5.296  -8.631
  794    HE1  TYR  97           HE1      TYR  97  -5.125  -1.709  -7.000
  795    HE2  TYR  97           HE2      TYR  97  -6.740  -4.039 -10.247
  796    HH   TYR  97           HH       TYR  97  -4.414  -1.590  -9.142
  797    H    LEU  98           H        LEU  98  -6.265  -5.307  -4.042
  798    HA   LEU  98           HA       LEU  98  -4.045  -4.840  -5.657
  799   1HB   LEU  98          2HB       LEU  98  -4.699  -4.072  -3.140
  800   2HB   LEU  98          3HB       LEU  98  -3.576  -5.321  -2.712
  801    HG   LEU  98           HG       LEU  98  -1.932  -4.172  -4.416
  802   1HD1  LEU  98          1HD1      LEU  98  -3.803  -1.842  -3.783
  803   2HD1  LEU  98          2HD1      LEU  98  -2.234  -1.741  -4.622
  804   3HD1  LEU  98          3HD1      LEU  98  -3.584  -2.598  -5.377
  805   1HD2  LEU  98          1HD2      LEU  98  -1.539  -4.232  -2.007
  806   2HD2  LEU  98          2HD2      LEU  98  -1.105  -2.649  -2.661
  807   3HD2  LEU  98          3HD2      LEU  98  -2.625  -2.845  -1.765
  808    H    LYS  99           H        LYS  99  -4.593  -7.450  -3.438
  809    HA   LYS  99           HA       LYS  99  -2.162  -8.958  -3.723
  810   1HB   LYS  99          2HB       LYS  99  -3.812  -9.451  -2.031
  811   2HB   LYS  99          3HB       LYS  99  -5.019  -9.899  -3.246
  812   1HG   LYS  99          2HG       LYS  99  -3.871 -11.874  -3.852
  813   2HG   LYS  99          3HG       LYS  99  -2.353 -11.355  -3.074
  814   1HD   LYS  99          2HD       LYS  99  -3.320 -11.514  -0.896
  815   2HD   LYS  99          3HD       LYS  99  -4.933 -11.875  -1.545
  816   1HE   LYS  99          2HE       LYS  99  -4.122 -14.016  -2.442
  817   2HE   LYS  99          3HE       LYS  99  -2.480 -13.653  -1.922
  818   1HZ   LYS  99          1HZ       LYS  99  -4.647 -13.618   0.085
  819   2HZ   LYS  99          2HZ       LYS  99  -3.847 -15.055  -0.296
  820   3HZ   LYS  99          3HZ       LYS  99  -3.125 -13.718   0.347
  821    H    LYS 100           H        LYS 100  -5.068  -9.023  -5.754
  822    HA   LYS 100           HA       LYS 100  -4.072 -11.018  -7.640
  823   1HB   LYS 100          2HB       LYS 100  -6.473 -10.480  -6.858
  824   2HB   LYS 100          3HB       LYS 100  -6.421  -9.092  -7.901
  825   1HG   LYS 100          2HG       LYS 100  -7.664 -10.966  -8.865
  826   2HG   LYS 100          3HG       LYS 100  -6.359 -10.395  -9.884
  827   1HD   LYS 100          2HD       LYS 100  -6.664 -12.830  -9.924
  828   2HD   LYS 100          3HD       LYS 100  -5.045 -12.354  -9.491
  829   1HE   LYS 100          2HE       LYS 100  -6.993 -12.923  -7.240
  830   2HE   LYS 100          3HE       LYS 100  -6.441 -14.288  -8.232
  831   1HZ   LYS 100          1HZ       LYS 100  -4.641 -12.481  -6.743
  832   2HZ   LYS 100          2HZ       LYS 100  -4.844 -14.043  -6.405
  833   3HZ   LYS 100          3HZ       LYS 100  -4.128 -13.543  -7.798
  834    H    ALA 101           H        ALA 101  -3.542  -7.813  -7.327
  835    HA   ALA 101           HA       ALA 101  -2.419  -7.531 -10.097
  836   1HB   ALA 101          1HB       ALA 101  -2.435  -5.489  -7.852
  837   2HB   ALA 101          2HB       ALA 101  -1.928  -5.226  -9.536
  838   3HB   ALA 101          3HB       ALA 101  -3.623  -5.595  -9.166
  839    H    THR 102           H        THR 102  -1.410  -8.917  -7.258
  840    HA   THR 102           HA       THR 102   1.483  -8.670  -7.950
  841    HB   THR 102           HB       THR 102   2.146  -9.038  -5.799
  842    HG1  THR 102           1HG      THR 102  -0.427 -10.075  -5.339
  843   1HG2  THR 102          1HG2      THR 102  -0.412  -7.601  -5.109
  844   2HG2  THR 102          2HG2      THR 102   1.191  -7.371  -4.446
  845   3HG2  THR 102          3HG2      THR 102   0.841  -6.806  -6.087
  846    H    GLU 103           H        GLU 103  -1.142 -10.929  -7.273
  847    HA   GLU 103           HA       GLU 103   0.408 -13.216  -8.400
  848   1HB   GLU 103          2HB       GLU 103  -1.127 -14.684  -7.001
  849   2HB   GLU 103          3HB       GLU 103   0.178 -13.868  -6.154
  850   1HG   GLU 103          2HG       GLU 103  -1.242 -12.458  -4.971
  851   2HG   GLU 103          3HG       GLU 103  -2.523 -12.543  -6.161
  852    HHA  HEC 104           HHA      HEC 104   4.953   3.391   1.203
  853    HHB  HEC 104           HHB      HEC 104  -0.663   0.426  -0.150
  854    HHC  HEC 104           HHC      HEC 104  -3.366   6.195  -1.337
  855    HHD  HEC 104           HHD      HEC 104   2.449   8.891  -0.994
  856   1HMA  HEC 104          1HMA      HEC 104   1.539  -1.100   1.677
  857   2HMA  HEC 104          2HMA      HEC 104   0.925  -1.096   0.007
  858   3HMA  HEC 104          3HMA      HEC 104   2.642  -1.342   0.307
  859   1HAA  HEC 104          1HAA      HEC 104   4.266  -0.359   1.618
  860   2HAA  HEC 104          2HAA      HEC 104   4.915   1.204   2.108
  861   1HBA  HEC 104          1HBA      HEC 104   5.748   1.590  -0.180
  862   2HBA  HEC 104          2HBA      HEC 104   4.995   0.089  -0.723
  863   1HMB  HEC 104          1HMB      HEC 104  -3.631   0.499  -0.018
  864   2HMB  HEC 104          2HMB      HEC 104  -4.147   0.926  -1.655
  865   3HMB  HEC 104          3HMB      HEC 104  -2.581   0.166  -1.411
  866    HAB  HEC 104           HAB      HEC 104  -4.839   4.832  -1.220
  867   1HBB  HEC 104          1HBB      HEC 104  -5.053   3.753   0.968
  868   2HBB  HEC 104          2HBB      HEC 104  -6.530   3.776  -0.014
  869   3HBB  HEC 104          3HBB      HEC 104  -5.592   2.272   0.142
  870   1HMC  HEC 104          1HMC      HEC 104  -3.639   8.504  -1.421
  871   2HMC  HEC 104          2HMC      HEC 104  -2.728   9.806  -2.182
  872   3HMC  HEC 104          3HMC      HEC 104  -2.962   8.278  -3.040
  873    HAC  HEC 104           HAC      HEC 104   1.210  10.098  -2.066
  874   1HBC  HEC 104          1HBC      HEC 104   0.020  11.174  -0.251
  875   2HBC  HEC 104          2HBC      HEC 104   0.073  12.171  -1.719
  876   3HBC  HEC 104          3HBC      HEC 104  -1.422  11.333  -1.270
  877   1HMD  HEC 104          1HMD      HEC 104   4.774   9.238  -0.146
  878   2HMD  HEC 104          2HMD      HEC 104   6.146   8.183  -0.629
  879   3HMD  HEC 104          3HMD      HEC 104   4.765   8.439  -1.704
  880   1HAD  HEC 104          1HAD      HEC 104   5.928   5.350   2.241
  881   2HAD  HEC 104          2HAD      HEC 104   6.101   7.062   1.887
  882   1HBD  HEC 104          1HBD      HEC 104   7.386   6.252  -0.258
  883   2HBD  HEC 104          2HBD      HEC 104   7.525   4.722   0.619
  Start of MODEL    6
    1   1H    THR  -5          H1        THR  -5 -12.189 -15.247  11.951
    2   2H    THR  -5          H2        THR  -5 -13.650 -15.916  11.587
    3   3H    THR  -5          H3        THR  -5 -13.527 -14.490  12.451
    4    HA   THR  -5           HA       THR  -5 -12.528 -14.786   9.722
    5    HB   THR  -5           HB       THR  -5 -15.049 -15.014   9.906
    6    HG1  THR  -5           1HG      THR  -5 -13.818 -13.028   8.322
    7   1HG2  THR  -5          1HG2      THR  -5 -15.052 -12.004  10.310
    8   2HG2  THR  -5          2HG2      THR  -5 -16.436 -13.068  10.026
    9   3HG2  THR  -5          3HG2      THR  -5 -15.533 -13.189  11.547
   10    H    GLU  -4           H        GLU  -4 -11.107 -13.267   9.293
   11    HA   GLU  -4           HA       GLU  -4 -10.614 -11.203  11.402
   12   1HB   GLU  -4          2HB       GLU  -4  -8.780 -13.147   9.916
   13   2HB   GLU  -4          3HB       GLU  -4  -8.212 -11.820  10.918
   14   1HG   GLU  -4          2HG       GLU  -4  -8.068 -13.903  12.141
   15   2HG   GLU  -4          3HG       GLU  -4  -9.207 -12.804  12.910
   16    H    PHE  -3           H        PHE  -3  -9.093 -11.965   8.292
   17    HA   PHE  -3           HA       PHE  -3 -10.040  -9.493   6.977
   18   1HB   PHE  -3          2HB       PHE  -3  -7.850 -10.395   6.365
   19   2HB   PHE  -3          3HB       PHE  -3  -8.525 -11.995   6.121
   20    HD1  PHE  -3           HD1      PHE  -3  -9.464  -8.573   4.805
   21    HD2  PHE  -3           HD2      PHE  -3  -8.187 -12.579   3.900
   22    HE1  PHE  -3           HE1      PHE  -3  -9.790  -8.138   2.382
   23    HE2  PHE  -3           HE2      PHE  -3  -8.385 -12.105   1.484
   24    HZ   PHE  -3           HZ       PHE  -3  -9.237  -9.880   0.710
   25    H    LYS  -2           H        LYS  -2 -11.689  -9.642   5.300
   26    HA   LYS  -2           HA       LYS  -2 -12.622 -12.313   4.555
   27   1HB   LYS  -2          2HB       LYS  -2 -14.288 -11.602   6.305
   28   2HB   LYS  -2          3HB       LYS  -2 -14.709 -10.219   5.279
   29   1HG   LYS  -2          2HG       LYS  -2 -15.064 -12.035   3.400
   30   2HG   LYS  -2          3HG       LYS  -2 -15.047 -13.201   4.725
   31   1HD   LYS  -2          2HD       LYS  -2 -17.015 -12.091   5.723
   32   2HD   LYS  -2          3HD       LYS  -2 -16.941 -10.822   4.466
   33   1HE   LYS  -2          2HE       LYS  -2 -17.120 -12.604   2.708
   34   2HE   LYS  -2          3HE       LYS  -2 -17.341 -13.814   3.981
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.129 -11.521   3.413
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.462 -13.101   3.103
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.352 -12.582   4.660
   38    H    ALA  -1           H        ALA  -1 -11.849 -12.182   2.558
   39    HA   ALA  -1           HA       ALA  -1 -11.685 -10.024   0.847
   40   1HB   ALA  -1          1HB       ALA  -1 -12.266 -12.913   0.057
   41   2HB   ALA  -1          2HB       ALA  -1 -11.502 -11.675  -0.961
   42   3HB   ALA  -1          3HB       ALA  -1 -10.662 -12.276   0.480
   43    H    GLY   1           H        GLY   1 -12.785  -9.191  -0.798
   44   1HA   GLY   1          1HA       GLY   1 -15.790  -9.496  -0.793
   45   2HA   GLY   1          2HA       GLY   1 -14.933  -7.990  -1.102
   46    H    SER   2           H        SER   2 -13.977  -7.662  -3.141
   47    HA   SER   2           HA       SER   2 -14.002  -9.766  -5.233
   48   1HB   SER   2          2HB       SER   2 -16.257  -8.759  -5.345
   49   2HB   SER   2          3HB       SER   2 -15.515  -7.157  -5.492
   50    HG   SER   2           HG       SER   2 -15.540  -9.301  -7.311
   51    H    ALA   3           H        ALA   3 -12.074  -9.599  -6.287
   52    HA   ALA   3           HA       ALA   3 -10.266  -7.492  -5.948
   53   1HB   ALA   3          1HB       ALA   3 -10.427  -9.453  -8.275
   54   2HB   ALA   3          2HB       ALA   3  -9.001  -8.507  -7.793
   55   3HB   ALA   3          3HB       ALA   3  -9.640  -9.746  -6.704
   56    H    LYS   4           H        LYS   4 -13.016  -7.383  -8.080
   57    HA   LYS   4           HA       LYS   4 -11.859  -5.061  -9.536
   58   1HB   LYS   4          2HB       LYS   4 -14.164  -6.881 -10.111
   59   2HB   LYS   4          3HB       LYS   4 -14.331  -5.194 -10.614
   60   1HG   LYS   4          2HG       LYS   4 -12.166  -5.289 -11.794
   61   2HG   LYS   4          3HG       LYS   4 -11.991  -6.999 -11.356
   62   1HD   LYS   4          2HD       LYS   4 -13.913  -7.607 -12.721
   63   2HD   LYS   4          3HD       LYS   4 -14.368  -5.914 -12.931
   64   1HE   LYS   4          2HE       LYS   4 -13.337  -6.725 -14.973
   65   2HE   LYS   4          3HE       LYS   4 -12.353  -5.455 -14.239
   66   1HZ   LYS   4          1HZ       LYS   4 -11.810  -8.365 -14.059
   67   2HZ   LYS   4          2HZ       LYS   4 -10.967  -7.288 -14.966
   68   3HZ   LYS   4          3HZ       LYS   4 -10.905  -7.187 -13.332
   69    H    LYS   5           H        LYS   5 -13.639  -5.454  -6.812
   70    HA   LYS   5           HA       LYS   5 -14.859  -2.720  -6.814
   71   1HB   LYS   5          2HB       LYS   5 -14.549  -4.839  -4.679
   72   2HB   LYS   5          3HB       LYS   5 -15.035  -3.181  -4.303
   73   1HG   LYS   5          2HG       LYS   5 -16.971  -3.445  -5.908
   74   2HG   LYS   5          3HG       LYS   5 -16.546  -5.165  -6.057
   75   1HD   LYS   5          2HD       LYS   5 -16.735  -5.367  -3.558
   76   2HD   LYS   5          3HD       LYS   5 -17.209  -3.669  -3.476
   77   1HE   LYS   5          2HE       LYS   5 -19.223  -4.733  -3.315
   78   2HE   LYS   5          3HE       LYS   5 -19.167  -4.357  -5.047
   79   1HZ   LYS   5          1HZ       LYS   5 -18.375  -6.926  -3.795
   80   2HZ   LYS   5          2HZ       LYS   5 -19.810  -6.686  -4.570
   81   3HZ   LYS   5          3HZ       LYS   5 -18.395  -6.644  -5.415
   82    H    GLY   6           H        GLY   6 -12.247  -4.332  -4.933
   83   1HA   GLY   6          1HA       GLY   6 -10.873  -2.038  -4.073
   84   2HA   GLY   6          2HA       GLY   6 -10.096  -3.564  -4.446
   85    H    ALA   7           H        ALA   7 -10.569  -3.629  -7.295
   86    HA   ALA   7           HA       ALA   7  -8.627  -1.886  -8.374
   87   1HB   ALA   7          1HB       ALA   7 -10.989  -3.027  -9.916
   88   2HB   ALA   7          2HB       ALA   7  -9.411  -2.534 -10.552
   89   3HB   ALA   7          3HB       ALA   7  -9.532  -3.951  -9.498
   90    H    THR   8           H        THR   8 -12.218  -1.442  -8.515
   91    HA   THR   8           HA       THR   8 -11.906   1.139  -9.791
   92    HB   THR   8           HB       THR   8 -13.918  -0.473  -9.913
   93    HG1  THR   8           1HG      THR   8 -15.008   1.924  -9.696
   94   1HG2  THR   8          1HG2      THR   8 -14.902   1.306  -7.634
   95   2HG2  THR   8          2HG2      THR   8 -15.866   0.168  -8.605
   96   3HG2  THR   8          3HG2      THR   8 -14.612  -0.438  -7.524
   97    H    LEU   9           H        LEU   9 -11.779   0.232  -6.473
   98    HA   LEU   9           HA       LEU   9 -12.093   2.923  -5.382
   99   1HB   LEU   9          2HB       LEU   9 -11.040   0.286  -4.321
  100   2HB   LEU   9          3HB       LEU   9 -10.877   1.772  -3.391
  101    HG   LEU   9           HG       LEU   9 -13.550   0.925  -4.472
  102   1HD1  LEU   9          1HD1      LEU   9 -12.286   0.079  -1.816
  103   2HD1  LEU   9          2HD1      LEU   9 -13.994  -0.144  -2.244
  104   3HD1  LEU   9          3HD1      LEU   9 -12.746  -0.993  -3.161
  105   1HD2  LEU   9          1HD2      LEU   9 -13.327   3.237  -3.559
  106   2HD2  LEU   9          2HD2      LEU   9 -14.400   2.240  -2.564
  107   3HD2  LEU   9          3HD2      LEU   9 -12.742   2.553  -2.022
  108    H    PHE  10           H        PHE  10  -9.293   0.740  -5.724
  109    HA   PHE  10           HA       PHE  10  -7.205   2.463  -5.055
  110   1HB   PHE  10          2HB       PHE  10  -6.845   0.100  -5.382
  111   2HB   PHE  10          3HB       PHE  10  -7.270   0.215  -7.089
  112    HD1  PHE  10           HD1      PHE  10  -5.707   1.142  -8.746
  113    HD2  PHE  10           HD2      PHE  10  -4.614   0.821  -4.589
  114    HE1  PHE  10           HE1      PHE  10  -3.386   1.793  -9.296
  115    HE2  PHE  10           HE2      PHE  10  -2.309   1.589  -5.164
  116    HZ   PHE  10           HZ       PHE  10  -1.712   2.127  -7.497
  117    H    LYS  11           H        LYS  11  -8.801   2.197  -8.135
  118    HA   LYS  11           HA       LYS  11  -7.366   3.767  -9.956
  119   1HB   LYS  11          2HB       LYS  11  -9.454   2.487 -10.329
  120   2HB   LYS  11          3HB       LYS  11 -10.350   3.702  -9.411
  121   1HG   LYS  11          2HG       LYS  11  -9.622   5.405 -11.186
  122   2HG   LYS  11          3HG       LYS  11  -9.034   4.032 -12.138
  123   1HD   LYS  11          2HD       LYS  11 -11.878   4.380 -11.067
  124   2HD   LYS  11          3HD       LYS  11 -11.372   4.786 -12.713
  125   1HE   LYS  11          2HE       LYS  11 -10.880   2.500 -13.250
  126   2HE   LYS  11          3HE       LYS  11 -11.013   1.992 -11.560
  127   1HZ   LYS  11          1HZ       LYS  11 -13.313   3.092 -13.064
  128   2HZ   LYS  11          2HZ       LYS  11 -13.009   1.483 -12.928
  129   3HZ   LYS  11          3HZ       LYS  11 -13.342   2.346 -11.590
  130    H    THR  12           H        THR  12  -9.493   5.007  -7.372
  131    HA   THR  12           HA       THR  12  -8.395   7.766  -7.802
  132    HB   THR  12           HB       THR  12 -10.632   8.618  -7.089
  133    HG1  THR  12           1HG      THR  12 -12.349   7.208  -7.160
  134   1HG2  THR  12          1HG2      THR  12 -10.768   6.893  -9.594
  135   2HG2  THR  12          2HG2      THR  12 -11.733   8.337  -9.228
  136   3HG2  THR  12          3HG2      THR  12  -9.989   8.489  -9.506
  137    H    ARG  13           H        ARG  13  -8.516   5.298  -5.574
  138    HA   ARG  13           HA       ARG  13  -8.240   7.151  -3.287
  139   1HB   ARG  13          2HB       ARG  13  -7.977   4.111  -3.541
  140   2HB   ARG  13          3HB       ARG  13  -7.804   4.958  -2.017
  141   1HG   ARG  13          2HG       ARG  13 -10.385   4.948  -3.647
  142   2HG   ARG  13          3HG       ARG  13  -9.969   3.796  -2.373
  143   1HD   ARG  13          2HD       ARG  13  -9.613   5.922  -0.894
  144   2HD   ARG  13          3HD       ARG  13 -10.542   6.745  -2.155
  145    HE   ARG  13           HE       ARG  13 -11.575   4.290  -0.706
  146   1HH1  ARG  13          1HH2      ARG  13 -12.264   7.618  -1.714
  147   2HH1  ARG  13          2HH2      ARG  13 -13.841   7.516  -0.969
  148   1HH2  ARG  13          1HH1      ARG  13 -13.454   4.276   0.089
  149   2HH2  ARG  13          2HH1      ARG  13 -14.586   5.599  -0.071
  150    H    CYS  14           H        CYS  14  -6.132   5.237  -5.322
  151    HA   CYS  14           HA       CYS  14  -3.746   5.973  -3.642
  152   1HB   CYS  14          2HB       CYS  14  -4.283   3.363  -4.941
  153   2HB   CYS  14          3HB       CYS  14  -3.031   3.677  -3.748
  154    H    LEU  15           H        LEU  15  -4.857   4.819  -6.890
  155    HA   LEU  15           HA       LEU  15  -2.471   4.707  -8.262
  156   1HB   LEU  15          2HB       LEU  15  -4.735   4.005  -9.061
  157   2HB   LEU  15          3HB       LEU  15  -5.160   5.700  -9.221
  158    HG   LEU  15           HG       LEU  15  -3.323   5.931 -10.958
  159   1HD1  LEU  15          1HD1      LEU  15  -3.443   2.906 -11.157
  160   2HD1  LEU  15          2HD1      LEU  15  -2.424   4.024 -12.067
  161   3HD1  LEU  15          3HD1      LEU  15  -2.106   3.756 -10.350
  162   1HD2  LEU  15          1HD2      LEU  15  -5.697   5.740 -11.544
  163   2HD2  LEU  15          2HD2      LEU  15  -4.658   4.944 -12.742
  164   3HD2  LEU  15          3HD2      LEU  15  -5.557   3.969 -11.562
  165    H    GLN  16           H        GLN  16  -4.175   7.618  -7.294
  166    HA   GLN  16           HA       GLN  16  -2.875   9.574  -8.838
  167   1HB   GLN  16          2HB       GLN  16  -3.342  11.156  -7.089
  168   2HB   GLN  16          3HB       GLN  16  -4.721  10.119  -7.434
  169   1HG   GLN  16          2HG       GLN  16  -4.228   8.798  -5.369
  170   2HG   GLN  16          3HG       GLN  16  -2.865   9.876  -5.034
  171   1HE2  GLN  16          2HE2      GLN  16  -3.419  11.499  -3.455
  172   2HE2  GLN  16          1HE2      GLN  16  -5.110  12.047  -3.383
  173    H    CYS  17           H        CYS  17  -1.489   7.702  -6.168
  174    HA   CYS  17           HA       CYS  17   1.123   9.118  -6.506
  175   1HB   CYS  17          2HB       CYS  17  -0.109   7.746  -4.112
  176   2HB   CYS  17          3HB       CYS  17   1.525   8.392  -4.158
  177    H    HIS  18           H        HIS  18  -0.360   6.074  -7.005
  178    HA   HIS  18           HA       HIS  18   2.239   4.575  -6.919
  179   1HB   HIS  18          1HB       HIS  18  -0.463   3.894  -5.677
  180   2HB   HIS  18          2HB       HIS  18   0.815   2.712  -5.890
  181    HD1  HIS  18           HD1      HIS  18   3.337   3.942  -4.827
  182    HD2  HIS  18           HD2      HIS  18  -0.481   4.470  -3.161
  183    HE1  HIS  18           HE1      HIS  18   3.684   4.368  -2.337
  184    H    THR  19           H        THR  19   2.022   2.331  -7.765
  185    HA   THR  19           HA       THR  19   0.049   1.786  -9.937
  186    HB   THR  19           HB       THR  19   1.959   0.810 -11.173
  187    HG1  THR  19           1HG      THR  19   3.910   1.042 -10.348
  188   1HG2  THR  19          1HG2      THR  19   2.074   3.835 -10.830
  189   2HG2  THR  19          2HG2      THR  19   2.637   2.913 -12.230
  190   3HG2  THR  19          3HG2      THR  19   0.909   2.959 -11.849
  191    H    VAL  20           H        VAL  20  -0.440  -0.447 -10.147
  192    HA   VAL  20           HA       VAL  20   0.754  -2.260  -8.056
  193    HB   VAL  20           HB       VAL  20  -1.272  -3.454  -7.874
  194   1HG1  VAL  20          1HG1      VAL  20  -1.820  -0.500  -7.628
  195   2HG1  VAL  20          2HG1      VAL  20  -2.720  -1.781  -6.803
  196   3HG1  VAL  20          3HG1      VAL  20  -1.016  -1.497  -6.415
  197   1HG2  VAL  20          1HG2      VAL  20  -2.217  -3.196 -10.157
  198   2HG2  VAL  20          2HG2      VAL  20  -3.353  -2.819  -8.871
  199   3HG2  VAL  20          3HG2      VAL  20  -2.599  -1.495  -9.789
  200    H    GLU  21           H        GLU  21   0.134  -1.983 -11.462
  201    HA   GLU  21           HA       GLU  21   0.912  -4.780 -11.971
  202   1HB   GLU  21          2HB       GLU  21   0.706  -2.406 -13.818
  203   2HB   GLU  21          3HB       GLU  21   0.951  -4.069 -14.331
  204   1HG   GLU  21          2HG       GLU  21  -1.205  -4.788 -13.603
  205   2HG   GLU  21          3HG       GLU  21  -1.509  -3.326 -12.680
  206    H    LYS  22           H        LYS  22   3.012  -4.944 -13.511
  207    HA   LYS  22           HA       LYS  22   5.161  -3.958 -11.759
  208   1HB   LYS  22          2HB       LYS  22   4.848  -6.369 -12.528
  209   2HB   LYS  22          3HB       LYS  22   5.352  -5.845 -14.138
  210   1HG   LYS  22          2HG       LYS  22   7.507  -5.017 -13.173
  211   2HG   LYS  22          3HG       LYS  22   6.981  -5.544 -11.558
  212   1HD   LYS  22          2HD       LYS  22   6.800  -7.870 -12.417
  213   2HD   LYS  22          3HD       LYS  22   7.342  -7.319 -14.000
  214   1HE   LYS  22          2HE       LYS  22   8.878  -7.173 -11.345
  215   2HE   LYS  22          3HE       LYS  22   9.171  -8.362 -12.612
  216   1HZ   LYS  22          1HZ       LYS  22   9.589  -5.429 -12.954
  217   2HZ   LYS  22          2HZ       LYS  22  10.778  -6.479 -12.644
  218   3HZ   LYS  22          3HZ       LYS  22   9.955  -6.584 -14.061
  219    H    GLY  23           H        GLY  23   6.806  -2.634 -12.314
  220   1HA   GLY  23          1HA       GLY  23   8.346  -1.528 -13.720
  221   2HA   GLY  23          2HA       GLY  23   7.367  -1.931 -15.130
  222    H    GLY  24           H        GLY  24   5.407  -0.563 -12.652
  223   1HA   GLY  24          1HA       GLY  24   4.976   1.888 -14.099
  224   2HA   GLY  24          2HA       GLY  24   4.372   1.472 -12.486
  225    HA   PRO  25           HA       PRO  25   8.370   4.166 -12.304
  226   1HB   PRO  25          2HB       PRO  25   7.495   6.760 -12.525
  227   2HB   PRO  25          3HB       PRO  25   8.003   5.778 -13.935
  228   1HG   PRO  25          2HG       PRO  25   5.185   6.252 -12.914
  229   2HG   PRO  25          3HG       PRO  25   5.790   6.389 -14.598
  230   1HD   PRO  25          2HD       PRO  25   4.529   4.150 -13.689
  231   2HD   PRO  25          3HD       PRO  25   5.892   4.039 -14.846
  232    H    HIS  26           H        HIS  26   8.935   4.965 -10.301
  233    HA   HIS  26           HA       HIS  26   7.140   4.698  -8.072
  234   1HB   HIS  26          2HB       HIS  26   9.901   5.932  -8.231
  235   2HB   HIS  26          3HB       HIS  26   9.097   5.298  -6.785
  236    HD1  HIS  26           HD1      HIS  26   8.188   2.453  -8.005
  237    HD2  HIS  26           HD2      HIS  26  11.910   4.307  -8.592
  238    HE1  HIS  26           HE1      HIS  26   9.898   0.580  -8.291
  239    H    LYS  27           H        LYS  27   5.616   6.099  -9.037
  240    HA   LYS  27           HA       LYS  27   5.829   8.590 -10.058
  241   1HB   LYS  27          2HB       LYS  27   3.954   6.853 -10.122
  242   2HB   LYS  27          3HB       LYS  27   3.405   7.485  -8.580
  243   1HG   LYS  27          2HG       LYS  27   3.182   9.776  -9.795
  244   2HG   LYS  27          3HG       LYS  27   3.415   8.844 -11.294
  245   1HD   LYS  27          2HD       LYS  27   1.504   7.319 -10.504
  246   2HD   LYS  27          3HD       LYS  27   1.273   8.457  -9.164
  247   1HE   LYS  27          2HE       LYS  27   1.088  10.271 -11.040
  248   2HE   LYS  27          3HE       LYS  27   0.851   8.896 -12.136
  249   1HZ   LYS  27          1HZ       LYS  27  -0.750   9.651  -9.773
  250   2HZ   LYS  27          2HZ       LYS  27  -1.295   9.599 -11.336
  251   3HZ   LYS  27          3HZ       LYS  27  -0.965   8.204 -10.494
  252    H    VAL  28           H        VAL  28   4.871   7.939  -6.802
  253    HA   VAL  28           HA       VAL  28   5.844  10.562  -5.824
  254    HB   VAL  28           HB       VAL  28   3.042   9.610  -5.122
  255   1HG1  VAL  28          1HG1      VAL  28   4.540  12.131  -4.315
  256   2HG1  VAL  28          2HG1      VAL  28   2.849  11.756  -3.917
  257   3HG1  VAL  28          3HG1      VAL  28   4.147  10.765  -3.246
  258   1HG2  VAL  28          1HG2      VAL  28   2.961  10.590  -7.365
  259   2HG2  VAL  28          2HG2      VAL  28   2.220  11.690  -6.205
  260   3HG2  VAL  28          3HG2      VAL  28   3.866  12.008  -6.800
  261    H    GLY  29           H        GLY  29   4.247   7.503  -5.061
  262   1HA   GLY  29          1HA       GLY  29   6.400   6.848  -3.098
  263   2HA   GLY  29          2HA       GLY  29   4.769   6.177  -3.007
  264    HA   PRO  30           HA       PRO  30   7.649   3.553  -5.643
  265   1HB   PRO  30          2HB       PRO  30   7.528   1.202  -4.205
  266   2HB   PRO  30          3HB       PRO  30   8.643   2.553  -3.835
  267   1HG   PRO  30          2HG       PRO  30   5.913   1.963  -2.615
  268   2HG   PRO  30          3HG       PRO  30   7.449   2.289  -1.752
  269   1HD   PRO  30          2HD       PRO  30   5.673   4.253  -2.131
  270   2HD   PRO  30          3HD       PRO  30   7.408   4.576  -2.318
  271    H    ASN  31           H        ASN  31   7.214   1.205  -6.465
  272    HA   ASN  31           HA       ASN  31   4.469   1.016  -7.542
  273   1HB   ASN  31          2HB       ASN  31   6.747   0.451  -8.748
  274   2HB   ASN  31          3HB       ASN  31   6.680  -1.057  -7.833
  275   1HD2  ASN  31          2HD2      ASN  31   4.386  -2.351  -8.214
  276   2HD2  ASN  31          1HD2      ASN  31   3.806  -2.070  -9.863
  277    H    LEU  32           H        LEU  32   3.153  -0.901  -7.058
  278    HA   LEU  32           HA       LEU  32   3.561  -2.086  -4.361
  279   1HB   LEU  32          2HB       LEU  32   0.986  -1.196  -5.649
  280   2HB   LEU  32          3HB       LEU  32   1.194  -1.876  -4.041
  281    HG   LEU  32           HG       LEU  32   2.166   0.859  -4.957
  282   1HD1  LEU  32          1HD1      LEU  32  -0.084  -0.052  -3.111
  283   2HD1  LEU  32          2HD1      LEU  32   0.385   1.627  -3.392
  284   3HD1  LEU  32          3HD1      LEU  32  -0.267   0.657  -4.731
  285   1HD2  LEU  32          1HD2      LEU  32   3.665  -0.022  -3.207
  286   2HD2  LEU  32          2HD2      LEU  32   2.631   1.245  -2.545
  287   3HD2  LEU  32          3HD2      LEU  32   2.265  -0.462  -2.211
  288    H    HIS  33           H        HIS  33   4.510  -3.348  -6.470
  289    HA   HIS  33           HA       HIS  33   2.736  -5.755  -6.975
  290   1HB   HIS  33          2HB       HIS  33   3.130  -4.393  -9.032
  291   2HB   HIS  33          3HB       HIS  33   4.861  -4.532  -8.791
  292    HD1  HIS  33           HD1      HIS  33   1.837  -6.833  -9.625
  293    HD2  HIS  33           HD2      HIS  33   6.058  -6.730  -9.559
  294    HE1  HIS  33           HE1      HIS  33   2.644  -8.883 -10.910
  295    H    GLY  34           H        GLY  34   3.538  -7.351  -5.625
  296   1HA   GLY  34          1HA       GLY  34   5.152  -8.872  -4.809
  297   2HA   GLY  34          2HA       GLY  34   6.414  -7.999  -5.660
  298    H    ILE  35           H        ILE  35   4.424  -6.062  -3.622
  299    HA   ILE  35           HA       ILE  35   6.493  -5.633  -1.623
  300    HB   ILE  35           HB       ILE  35   5.079  -4.105  -0.561
  301   1HG1  ILE  35          2HG1      ILE  35   2.917  -5.133  -0.443
  302   2HG1  ILE  35          3HG1      ILE  35   2.805  -3.532  -1.131
  303   1HG2  ILE  35          1HG2      ILE  35   4.767  -3.783  -3.566
  304   2HG2  ILE  35          2HG2      ILE  35   4.675  -2.491  -2.337
  305   3HG2  ILE  35          3HG2      ILE  35   6.187  -3.367  -2.598
  306   1HD1  ILE  35          1HD1      ILE  35   2.562  -6.145  -2.680
  307   2HD1  ILE  35          2HD1      ILE  35   1.278  -4.996  -2.283
  308   3HD1  ILE  35          3HD1      ILE  35   2.558  -4.526  -3.406
  309    H    PHE  36           H        PHE  36   3.534  -7.579  -1.794
  310    HA   PHE  36           HA       PHE  36   3.344  -8.319   0.933
  311   1HB   PHE  36          2HB       PHE  36   2.354  -9.620  -1.630
  312   2HB   PHE  36          3HB       PHE  36   2.026 -10.269  -0.031
  313    HD1  PHE  36           HD1      PHE  36   1.022  -8.597   1.746
  314    HD2  PHE  36           HD2      PHE  36   0.722  -8.119  -2.536
  315    HE1  PHE  36           HE1      PHE  36  -0.950  -7.132   2.048
  316    HE2  PHE  36           HE2      PHE  36  -1.261  -6.677  -2.232
  317    HZ   PHE  36           HZ       PHE  36  -2.123  -6.206   0.075
  318    H    GLY  37           H        GLY  37   4.373  -9.650   2.076
  319   1HA   GLY  37          1HA       GLY  37   5.787 -11.384   2.801
  320   2HA   GLY  37          2HA       GLY  37   5.959 -11.953   1.137
  321    H    ARG  38           H        ARG  38   6.602  -8.684   1.050
  322    HA   ARG  38           HA       ARG  38   9.533  -9.023   1.307
  323   1HB   ARG  38          2HB       ARG  38   8.106  -7.670  -0.564
  324   2HB   ARG  38          3HB       ARG  38   8.187  -6.397   0.649
  325   1HG   ARG  38          2HG       ARG  38   9.953  -5.997  -0.824
  326   2HG   ARG  38          3HG       ARG  38  10.738  -6.711   0.585
  327   1HD   ARG  38          2HD       ARG  38  10.521  -8.968  -0.667
  328   2HD   ARG  38          3HD       ARG  38  10.076  -8.002  -2.091
  329    HE   ARG  38           HE       ARG  38  12.495  -6.994  -0.875
  330   1HH1  ARG  38          1HH2      ARG  38  11.503  -9.581  -2.979
  331   2HH1  ARG  38          2HH2      ARG  38  13.112  -9.795  -3.613
  332   1HH2  ARG  38          1HH1      ARG  38  14.395  -7.321  -1.537
  333   2HH2  ARG  38          2HH1      ARG  38  14.802  -8.471  -2.810
  334    H    HIS  39           H        HIS  39  10.600  -7.211   2.323
  335    HA   HIS  39           HA       HIS  39   9.354  -6.290   4.872
  336   1HB   HIS  39          2HB       HIS  39  12.271  -6.490   4.033
  337   2HB   HIS  39          3HB       HIS  39  11.703  -5.584   5.444
  338    HD1  HIS  39           HD1      HIS  39  12.425  -9.177   4.431
  339    HD2  HIS  39           HD2      HIS  39  10.360  -6.963   7.344
  340    HE1  HIS  39           HE1      HIS  39  11.822 -10.827   6.285
  341    H    SER  40           H        SER  40   8.761  -4.249   4.949
  342    HA   SER  40           HA       SER  40   8.451  -2.513   2.862
  343   1HB   SER  40          2HB       SER  40   7.366  -2.290   5.046
  344   2HB   SER  40          3HB       SER  40   8.912  -1.877   5.801
  345    HG   SER  40           HG       SER  40   7.689  -0.402   3.706
  346    H    GLY  41           H        GLY  41   9.339  -0.649   2.064
  347   1HA   GLY  41          1HA       GLY  41  11.107   0.867   1.581
  348   2HA   GLY  41          2HA       GLY  41  12.110   0.120   2.804
  349    H    GLN  42           H        GLN  42  10.603  -1.656   0.109
  350    HA   GLN  42           HA       GLN  42  13.278  -2.014  -1.173
  351   1HB   GLN  42          2HB       GLN  42  11.443  -4.255  -0.268
  352   2HB   GLN  42          3HB       GLN  42  12.842  -4.441  -1.339
  353   1HG   GLN  42          2HG       GLN  42  14.240  -3.343   0.501
  354   2HG   GLN  42          3HG       GLN  42  12.855  -3.550   1.571
  355   1HE2  GLN  42          2HE2      GLN  42  14.161  -5.011   2.924
  356   2HE2  GLN  42          1HE2      GLN  42  14.529  -6.633   2.334
  357    H    ALA  43           H        ALA  43  11.662  -0.305  -2.296
  358    HA   ALA  43           HA       ALA  43  10.647  -1.546  -4.778
  359   1HB   ALA  43          1HB       ALA  43  11.280   1.338  -4.022
  360   2HB   ALA  43          2HB       ALA  43  10.552   0.827  -5.560
  361   3HB   ALA  43          3HB       ALA  43   9.691   0.542  -4.042
  362    H    GLU  44           H        GLU  44  11.774  -0.454  -6.821
  363    HA   GLU  44           HA       GLU  44  14.197  -1.991  -6.912
  364   1HB   GLU  44          2HB       GLU  44  12.179  -1.958  -8.498
  365   2HB   GLU  44          3HB       GLU  44  12.847  -0.494  -9.207
  366   1HG   GLU  44          2HG       GLU  44  14.835  -1.713  -9.943
  367   2HG   GLU  44          3HG       GLU  44  14.338  -3.148  -9.044
  368    H    GLY  45           H        GLY  45  13.683   1.316  -8.212
  369   1HA   GLY  45          1HA       GLY  45  16.624   1.816  -7.842
  370   2HA   GLY  45          2HA       GLY  45  15.574   2.618  -8.997
  371    H    TYR  46           H        TYR  46  14.692   2.143  -5.596
  372    HA   TYR  46           HA       TYR  46  14.501   5.159  -5.427
  373   1HB   TYR  46          2HB       TYR  46  12.583   3.833  -6.380
  374   2HB   TYR  46          3HB       TYR  46  12.280   3.241  -4.769
  375    HD1  TYR  46           HD1      TYR  46  12.086   6.107  -7.063
  376    HD2  TYR  46           HD2      TYR  46  11.709   4.897  -2.963
  377    HE1  TYR  46           HE1      TYR  46  10.585   8.046  -6.648
  378    HE2  TYR  46           HE2      TYR  46  10.225   6.857  -2.513
  379    HH   TYR  46           HH       TYR  46   9.042   8.881  -5.195
  380    H    SER  47           H        SER  47  15.037   6.155  -3.699
  381    HA   SER  47           HA       SER  47  15.646   4.880  -1.143
  382   1HB   SER  47          2HB       SER  47  15.436   7.820  -1.927
  383   2HB   SER  47          3HB       SER  47  16.072   7.198  -0.391
  384    HG   SER  47           HG       SER  47  17.768   7.600  -1.820
  385    H    TYR  48           H        TYR  48  14.480   4.990   0.750
  386    HA   TYR  48           HA       TYR  48  11.706   6.121   0.648
  387   1HB   TYR  48          2HB       TYR  48  13.008   3.887   2.242
  388   2HB   TYR  48          3HB       TYR  48  11.479   4.605   2.709
  389    HD1  TYR  48           HD1      TYR  48   9.485   3.745   1.912
  390    HD2  TYR  48           HD2      TYR  48  13.107   2.996  -0.338
  391    HE1  TYR  48           HE1      TYR  48   8.299   2.095   0.522
  392    HE2  TYR  48           HE2      TYR  48  11.882   1.446  -1.783
  393    HH   TYR  48           HH       TYR  48   8.753   0.169  -0.887
  394    H    THR  49           H        THR  49  10.916   6.899   2.773
  395    HA   THR  49           HA       THR  49  12.672   8.810   4.118
  396    HB   THR  49           HB       THR  49  10.820   8.845   5.852
  397    HG1  THR  49           1HG      THR  49   9.501   7.239   3.905
  398   1HG2  THR  49          1HG2      THR  49  10.042   9.364   2.963
  399   2HG2  THR  49          2HG2      THR  49   9.258  10.055   4.417
  400   3HG2  THR  49          3HG2      THR  49  10.932  10.472   4.029
  401    H    ASP  50           H        ASP  50  13.866   8.572   5.979
  402    HA   ASP  50           HA       ASP  50  14.715   6.019   6.763
  403   1HB   ASP  50          2HB       ASP  50  15.994   8.047   7.189
  404   2HB   ASP  50          3HB       ASP  50  14.780   8.591   8.367
  405    H    ALA  51           H        ALA  51  12.029   7.914   8.190
  406    HA   ALA  51           HA       ALA  51  11.414   6.238  10.372
  407   1HB   ALA  51          1HB       ALA  51   9.508   7.751   8.525
  408   2HB   ALA  51          2HB       ALA  51   9.133   7.158  10.159
  409   3HB   ALA  51          3HB       ALA  51  10.351   8.419   9.941
  410    H    ASN  52           H        ASN  52  10.709   5.695   6.909
  411    HA   ASN  52           HA       ASN  52   9.094   3.304   7.359
  412   1HB   ASN  52          2HB       ASN  52   8.789   4.908   5.453
  413   2HB   ASN  52          3HB       ASN  52  10.362   4.436   4.817
  414   1HD2  ASN  52          2HD2      ASN  52  10.599   2.016   4.148
  415   2HD2  ASN  52          1HD2      ASN  52   9.057   1.220   3.833
  416    H    ILE  53           H        ILE  53  12.482   4.013   6.510
  417    HA   ILE  53           HA       ILE  53  13.334   1.274   6.128
  418    HB   ILE  53           HB       ILE  53  14.858   3.714   7.013
  419   1HG1  ILE  53          2HG1      ILE  53  14.682   2.382   4.254
  420   2HG1  ILE  53          3HG1      ILE  53  13.740   3.788   4.715
  421   1HG2  ILE  53          1HG2      ILE  53  15.919   1.029   6.006
  422   2HG2  ILE  53          2HG2      ILE  53  16.916   2.474   6.286
  423   3HG2  ILE  53          3HG2      ILE  53  16.129   1.688   7.642
  424   1HD1  ILE  53          1HD1      ILE  53  16.752   3.696   4.399
  425   2HD1  ILE  53          2HD1      ILE  53  15.568   4.561   3.409
  426   3HD1  ILE  53          3HD1      ILE  53  15.860   5.077   5.080
  427    H    LYS  54           H        LYS  54  13.414   3.403   8.995
  428    HA   LYS  54           HA       LYS  54  13.918   1.252  10.917
  429   1HB   LYS  54          2HB       LYS  54  12.799   4.030  11.465
  430   2HB   LYS  54          3HB       LYS  54  13.493   2.890  12.624
  431   1HG   LYS  54          2HG       LYS  54  15.616   3.099  10.950
  432   2HG   LYS  54          3HG       LYS  54  14.845   4.659  10.631
  433   1HD   LYS  54          2HD       LYS  54  14.782   4.842  13.273
  434   2HD   LYS  54          3HD       LYS  54  15.999   3.568  13.209
  435   1HE   LYS  54          2HE       LYS  54  16.131   6.446  12.352
  436   2HE   LYS  54          3HE       LYS  54  17.274   5.527  13.342
  437   1HZ   LYS  54          1HZ       LYS  54  16.886   5.521  10.415
  438   2HZ   LYS  54          2HZ       LYS  54  18.204   5.960  11.163
  439   3HZ   LYS  54          3HZ       LYS  54  17.800   4.343  11.113
  440    H    LYS  55           H        LYS  55  11.462   1.387   8.989
  441    HA   LYS  55           HA       LYS  55   9.732   0.067  11.051
  442   1HB   LYS  55          2HB       LYS  55   8.515   1.868   9.621
  443   2HB   LYS  55          3HB       LYS  55   8.661   0.714   8.303
  444   1HG   LYS  55          2HG       LYS  55   6.617   0.098   9.105
  445   2HG   LYS  55          3HG       LYS  55   7.625  -1.008  10.011
  446   1HD   LYS  55          2HD       LYS  55   6.164   1.455  10.993
  447   2HD   LYS  55          3HD       LYS  55   5.941  -0.209  11.446
  448   1HE   LYS  55          2HE       LYS  55   6.943   0.693  13.309
  449   2HE   LYS  55          3HE       LYS  55   8.288  -0.121  12.506
  450   1HZ   LYS  55          1HZ       LYS  55   7.663   2.779  12.330
  451   2HZ   LYS  55          2HZ       LYS  55   8.871   2.137  13.254
  452   3HZ   LYS  55          3HZ       LYS  55   8.978   2.048  11.634
  453    H    ASN  56           H        ASN  56  10.718  -0.489   7.631
  454    HA   ASN  56           HA       ASN  56  10.965  -2.585   6.548
  455   1HB   ASN  56          2HB       ASN  56  13.017  -2.036   8.224
  456   2HB   ASN  56          3HB       ASN  56  12.484  -3.539   8.944
  457   1HD2  ASN  56          2HD2      ASN  56  12.681  -2.489   5.371
  458   2HD2  ASN  56          1HD2      ASN  56  13.975  -3.661   5.169
  459    H    VAL  57           H        VAL  57   8.467  -2.447   7.719
  460    HA   VAL  57           HA       VAL  57   7.894  -4.812   9.230
  461    HB   VAL  57           HB       VAL  57   6.533  -2.466   8.603
  462   1HG1  VAL  57          1HG1      VAL  57   4.924  -4.681   7.299
  463   2HG1  VAL  57          2HG1      VAL  57   4.377  -3.036   7.671
  464   3HG1  VAL  57          3HG1      VAL  57   5.657  -3.289   6.485
  465   1HG2  VAL  57          1HG2      VAL  57   6.421  -3.795  10.667
  466   2HG2  VAL  57          2HG2      VAL  57   4.807  -3.378  10.084
  467   3HG2  VAL  57          3HG2      VAL  57   5.444  -5.023   9.835
  468    H    LEU  58           H        LEU  58   7.196  -6.839   8.640
  469    HA   LEU  58           HA       LEU  58   7.547  -7.639   5.857
  470   1HB   LEU  58          2HB       LEU  58   8.190  -9.010   7.878
  471   2HB   LEU  58          3HB       LEU  58   6.479  -9.353   8.118
  472    HG   LEU  58           HG       LEU  58   7.996  -9.937   5.516
  473   1HD1  LEU  58          1HD1      LEU  58   7.343 -11.822   7.820
  474   2HD1  LEU  58          2HD1      LEU  58   8.149 -12.256   6.292
  475   3HD1  LEU  58          3HD1      LEU  58   8.957 -11.181   7.443
  476   1HD2  LEU  58          1HD2      LEU  58   5.591  -9.961   5.113
  477   2HD2  LEU  58          2HD2      LEU  58   6.138 -11.630   5.207
  478   3HD2  LEU  58          3HD2      LEU  58   5.304 -10.898   6.595
  479    H    TRP  59           H        TRP  59   6.070  -6.819   4.547
  480    HA   TRP  59           HA       TRP  59   3.379  -6.164   5.150
  481   1HB   TRP  59          2HB       TRP  59   4.764  -6.754   2.528
  482   2HB   TRP  59          3HB       TRP  59   3.145  -6.080   2.615
  483    HD1  TRP  59           HD1      TRP  59   6.300  -4.881   1.721
  484    HE1  TRP  59           HE1      TRP  59   6.612  -2.327   2.236
  485    HE3  TRP  59           HE3      TRP  59   2.437  -4.186   4.971
  486    HZ2  TRP  59           HZ2      TRP  59   5.605  -0.455   4.090
  487    HZ3  TRP  59           HZ3      TRP  59   2.118  -2.057   6.108
  488    HH2  TRP  59           HH2      TRP  59   3.728  -0.142   5.718
  489    H    ASP  60           H        ASP  60   1.958  -7.554   5.815
  490    HA   ASP  60           HA       ASP  60   1.240  -9.970   4.180
  491   1HB   ASP  60          2HB       ASP  60   1.714 -11.046   6.106
  492   2HB   ASP  60          3HB       ASP  60   1.548  -9.609   7.096
  493    H    GLU  61           H        GLU  61  -1.228 -10.467   4.694
  494    HA   GLU  61           HA       GLU  61  -2.605  -8.308   3.251
  495   1HB   GLU  61          2HB       GLU  61  -4.515  -9.704   3.139
  496   2HB   GLU  61          3HB       GLU  61  -3.073 -10.614   2.693
  497   1HG   GLU  61          2HG       GLU  61  -3.125 -11.722   4.938
  498   2HG   GLU  61          3HG       GLU  61  -4.582 -10.801   5.327
  499    H    ASN  62           H        ASN  62  -2.603  -9.456   6.603
  500    HA   ASN  62           HA       ASN  62  -4.591  -7.459   7.439
  501   1HB   ASN  62          2HB       ASN  62  -3.032  -9.641   8.887
  502   2HB   ASN  62          3HB       ASN  62  -4.158  -8.533   9.653
  503   1HD2  ASN  62          2HD2      ASN  62  -3.935 -11.472   7.803
  504   2HD2  ASN  62          1HD2      ASN  62  -5.677 -11.623   7.565
  505    H    ASN  63           H        ASN  63  -1.073  -8.096   7.991
  506    HA   ASN  63           HA       ASN  63  -0.446  -5.760   9.495
  507   1HB   ASN  63          2HB       ASN  63   1.246  -7.412   9.285
  508   2HB   ASN  63          3HB       ASN  63   1.073  -7.473   7.532
  509   1HD2  ASN  63          2HD2      ASN  63   2.438  -5.487  10.137
  510   2HD2  ASN  63          1HD2      ASN  63   3.438  -4.569   9.018
  511    H    MET  64           H        MET  64  -0.506  -6.002   5.860
  512    HA   MET  64           HA       MET  64   0.281  -3.244   5.599
  513   1HB   MET  64          2HB       MET  64   0.370  -5.128   3.818
  514   2HB   MET  64          3HB       MET  64  -1.316  -4.718   3.515
  515   1HG   MET  64          2HG       MET  64  -0.696  -2.433   2.911
  516   2HG   MET  64          3HG       MET  64   0.949  -2.703   3.470
  517   1HE   MET  64          1HE       MET  64  -1.226  -2.501   0.410
  518   2HE   MET  64          2HE       MET  64  -0.835  -3.955  -0.541
  519   3HE   MET  64          3HE       MET  64  -1.718  -4.113   1.002
  520    H    SER  65           H        SER  65  -2.880  -4.782   6.057
  521    HA   SER  65           HA       SER  65  -4.470  -2.449   5.485
  522   1HB   SER  65          2HB       SER  65  -6.301  -3.638   6.201
  523   2HB   SER  65          3HB       SER  65  -5.221  -4.911   5.610
  524    HG   SER  65           HG       SER  65  -4.596  -5.196   7.879
  525    H    GLU  66           H        GLU  66  -3.034  -3.644   8.503
  526    HA   GLU  66           HA       GLU  66  -4.062  -1.763  10.371
  527   1HB   GLU  66          2HB       GLU  66  -2.832  -3.821  10.962
  528   2HB   GLU  66          3HB       GLU  66  -1.372  -3.177  10.218
  529   1HG   GLU  66          2HG       GLU  66  -1.415  -1.273  11.876
  530   2HG   GLU  66          3HG       GLU  66  -2.782  -2.065  12.666
  531    H    TYR  67           H        TYR  67  -0.913  -1.697   8.700
  532    HA   TYR  67           HA       TYR  67  -0.137   0.974   9.079
  533   1HB   TYR  67          2HB       TYR  67   1.375  -0.586   8.062
  534   2HB   TYR  67          3HB       TYR  67   0.250  -0.943   6.767
  535    HD1  TYR  67           HD1      TYR  67   0.747  -0.016   4.654
  536    HD2  TYR  67           HD2      TYR  67   1.878   2.071   8.223
  537    HE1  TYR  67           HE1      TYR  67   1.830   1.751   3.270
  538    HE2  TYR  67           HE2      TYR  67   2.976   3.866   6.838
  539    HH   TYR  67           HH       TYR  67   3.535   3.420   3.492
  540    H    LEU  68           H        LEU  68  -1.940  -0.231   6.194
  541    HA   LEU  68           HA       LEU  68  -2.211   2.233   4.873
  542   1HB   LEU  68          2HB       LEU  68  -3.986  -0.236   4.963
  543   2HB   LEU  68          3HB       LEU  68  -4.381   1.124   3.936
  544    HG   LEU  68           HG       LEU  68  -1.736  -0.332   3.665
  545   1HD1  LEU  68          1HD1      LEU  68  -4.374  -0.686   2.155
  546   2HD1  LEU  68          2HD1      LEU  68  -2.823  -1.407   1.697
  547   3HD1  LEU  68          3HD1      LEU  68  -3.594  -1.891   3.213
  548   1HD2  LEU  68          1HD2      LEU  68  -1.672   1.892   2.749
  549   2HD2  LEU  68          2HD2      LEU  68  -1.786   0.699   1.460
  550   3HD2  LEU  68          3HD2      LEU  68  -3.224   1.644   1.905
  551    H    THR  69           H        THR  69  -4.039   1.100   7.596
  552    HA   THR  69           HA       THR  69  -6.210   3.057   7.365
  553    HB   THR  69           HB       THR  69  -5.611   1.042   9.480
  554    HG1  THR  69           1HG      THR  69  -6.123  -0.147   7.843
  555   1HG2  THR  69          1HG2      THR  69  -8.169   2.586   8.854
  556   2HG2  THR  69          2HG2      THR  69  -8.034   1.227   9.994
  557   3HG2  THR  69          3HG2      THR  69  -7.180   2.737  10.334
  558    H    ASN  70           H        ASN  70  -3.190   2.824   9.142
  559    HA   ASN  70           HA       ASN  70  -3.697   5.535  10.203
  560   1HB   ASN  70          2HB       ASN  70  -3.325   5.087  12.407
  561   2HB   ASN  70          3HB       ASN  70  -4.301   3.716  11.930
  562   1HD2  ASN  70          2HD2      ASN  70  -2.649   1.654  11.137
  563   2HD2  ASN  70          1HD2      ASN  70  -1.462   1.474  12.408
  564    HA   PRO  71           HA       PRO  71   0.396   4.051   8.358
  565   1HB   PRO  71          2HB       PRO  71   0.729   5.621   6.104
  566   2HB   PRO  71          3HB       PRO  71  -0.240   4.122   6.145
  567   1HG   PRO  71          2HG       PRO  71  -1.224   6.975   6.399
  568   2HG   PRO  71          3HG       PRO  71  -1.895   5.650   5.397
  569   1HD   PRO  71          2HD       PRO  71  -2.982   6.280   7.803
  570   2HD   PRO  71          3HD       PRO  71  -2.857   4.592   7.238
  571    H    LYS  72           H        LYS  72  -0.555   7.378   8.427
  572    HA   LYS  72           HA       LYS  72   1.924   8.698   8.850
  573   1HB   LYS  72          2HB       LYS  72  -0.498   9.472   8.178
  574   2HB   LYS  72          3HB       LYS  72  -0.736   9.693   9.908
  575   1HG   LYS  72          2HG       LYS  72   1.065  11.327  10.006
  576   2HG   LYS  72          3HG       LYS  72   1.566  10.972   8.343
  577   1HD   LYS  72          2HD       LYS  72  -1.175  12.081   9.094
  578   2HD   LYS  72          3HD       LYS  72   0.204  13.089   8.615
  579   1HE   LYS  72          2HE       LYS  72   0.311  12.063   6.419
  580   2HE   LYS  72          3HE       LYS  72  -0.875  10.843   6.854
  581   1HZ   LYS  72          1HZ       LYS  72  -1.472  13.722   6.585
  582   2HZ   LYS  72          2HZ       LYS  72  -1.932  12.498   5.585
  583   3HZ   LYS  72          3HZ       LYS  72  -2.542  12.539   7.075
  584    H    LYS  73           H        LYS  73   0.183   6.782  11.103
  585    HA   LYS  73           HA       LYS  73   1.789   7.900  13.378
  586   1HB   LYS  73          2HB       LYS  73  -0.724   7.980  13.633
  587   2HB   LYS  73          3HB       LYS  73  -0.727   6.207  13.579
  588   1HG   LYS  73          2HG       LYS  73   0.819   6.191  15.567
  589   2HG   LYS  73          3HG       LYS  73   0.741   7.961  15.609
  590   1HD   LYS  73          2HD       LYS  73  -1.732   7.790  15.967
  591   2HD   LYS  73          3HD       LYS  73  -1.591   6.027  15.994
  592   1HE   LYS  73          2HE       LYS  73  -0.235   7.981  17.916
  593   2HE   LYS  73          3HE       LYS  73  -1.675   7.024  18.274
  594   1HZ   LYS  73          1HZ       LYS  73   0.994   5.896  17.645
  595   2HZ   LYS  73          2HZ       LYS  73   0.325   5.960  19.144
  596   3HZ   LYS  73          3HZ       LYS  73  -0.344   5.013  17.975
  597    H    TYR  74           H        TYR  74   0.905   4.900  11.674
  598    HA   TYR  74           HA       TYR  74   2.562   3.089  13.118
  599   1HB   TYR  74          2HB       TYR  74   0.780   2.836  11.183
  600   2HB   TYR  74          3HB       TYR  74   2.146   3.063  10.117
  601    HD1  TYR  74           HD1      TYR  74   0.858   1.020  12.969
  602    HD2  TYR  74           HD2      TYR  74   3.451   1.084   9.514
  603    HE1  TYR  74           HE1      TYR  74   1.109  -1.434  13.100
  604    HE2  TYR  74           HE2      TYR  74   3.601  -1.400   9.607
  605    HH   TYR  74           HH       TYR  74   1.573  -3.244  11.798
  606    H    ILE  75           H        ILE  75   3.272   5.339  10.476
  607    HA   ILE  75           HA       ILE  75   6.202   5.080  10.966
  608    HB   ILE  75           HB       ILE  75   4.876   5.480   8.275
  609   1HG1  ILE  75          2HG1      ILE  75   6.201   3.024   9.472
  610   2HG1  ILE  75          3HG1      ILE  75   4.505   3.184   9.004
  611   1HG2  ILE  75          1HG2      ILE  75   7.771   5.001   9.138
  612   2HG2  ILE  75          2HG2      ILE  75   7.236   5.249   7.462
  613   3HG2  ILE  75          3HG2      ILE  75   7.135   6.571   8.614
  614   1HD1  ILE  75          1HD1      ILE  75   6.905   2.967   7.190
  615   2HD1  ILE  75          2HD1      ILE  75   5.502   1.902   7.306
  616   3HD1  ILE  75          3HD1      ILE  75   5.323   3.527   6.605
  617    HA   PRO  76           HA       PRO  76   4.602   9.327  11.849
  618   1HB   PRO  76          2HB       PRO  76   6.190   9.915  13.991
  619   2HB   PRO  76          3HB       PRO  76   4.705   8.924  14.110
  620   1HG   PRO  76          2HG       PRO  76   7.574   7.965  13.907
  621   2HG   PRO  76          3HG       PRO  76   6.298   7.410  15.033
  622   1HD   PRO  76          2HD       PRO  76   6.917   6.085  12.726
  623   2HD   PRO  76          3HD       PRO  76   5.246   6.140  13.357
  624    H    GLY  77           H        GLY  77   5.295  10.496  10.183
  625   1HA   GLY  77          1HA       GLY  77   6.916  12.113   9.270
  626   2HA   GLY  77          2HA       GLY  77   8.224  11.078   9.812
  627    H    THR  78           H        THR  78   5.780   9.084   8.478
  628    HA   THR  78           HA       THR  78   7.230   8.437   6.105
  629    HB   THR  78           HB       THR  78   5.554   6.941   6.975
  630    HG1  THR  78           1HG      THR  78   4.994   6.251   5.071
  631   1HG2  THR  78          1HG2      THR  78   3.374   8.776   5.909
  632   2HG2  THR  78          2HG2      THR  78   3.180   7.207   6.718
  633   3HG2  THR  78          3HG2      THR  78   3.767   8.612   7.623
  634    H    LYS  79           H        LYS  79   7.126   9.027   4.066
  635    HA   LYS  79           HA       LYS  79   6.010  11.576   3.240
  636   1HB   LYS  79          2HB       LYS  79   8.036  10.006   2.338
  637   2HB   LYS  79          3HB       LYS  79   6.806   9.516   1.212
  638   1HG   LYS  79          2HG       LYS  79   6.488  11.990   0.633
  639   2HG   LYS  79          3HG       LYS  79   7.792  12.346   1.775
  640   1HD   LYS  79          2HD       LYS  79   8.916  12.309  -0.275
  641   2HD   LYS  79          3HD       LYS  79   9.245  10.706   0.387
  642   1HE   LYS  79          2HE       LYS  79   6.791  10.488  -1.049
  643   2HE   LYS  79          3HE       LYS  79   7.811  11.511  -2.062
  644   1HZ   LYS  79          1HZ       LYS  79   8.615   8.862  -0.989
  645   2HZ   LYS  79          2HZ       LYS  79   8.046   9.113  -2.527
  646   3HZ   LYS  79          3HZ       LYS  79   9.487   9.730  -2.045
  647    H    MET  80           H        MET  80   4.445   8.549   3.719
  648    HA   MET  80           HA       MET  80   2.395   8.905   1.697
  649   1HB   MET  80          2HB       MET  80   2.985   6.685   2.533
  650   2HB   MET  80          3HB       MET  80   2.450   7.113   4.157
  651   1HG   MET  80          2HG       MET  80   0.251   7.096   3.614
  652   2HG   MET  80          3HG       MET  80   0.505   7.624   1.954
  653   1HE   MET  80          1HE       MET  80  -1.702   5.925   1.620
  654   2HE   MET  80          2HE       MET  80  -1.604   4.189   1.999
  655   3HE   MET  80          3HE       MET  80  -1.522   5.388   3.302
  656    H    ALA  81           H        ALA  81   2.142  11.170   2.155
  657    HA   ALA  81           HA       ALA  81   0.916  12.282   4.388
  658   1HB   ALA  81          1HB       ALA  81   0.653  13.106   1.464
  659   2HB   ALA  81          2HB       ALA  81   0.391  14.165   2.865
  660   3HB   ALA  81          3HB       ALA  81   2.009  13.518   2.538
  661    H    PHE  82           H        PHE  82  -0.503   9.909   3.077
  662    HA   PHE  82           HA       PHE  82  -3.147  10.492   2.214
  663   1HB   PHE  82          2HB       PHE  82  -1.812   8.408   1.861
  664   2HB   PHE  82          3HB       PHE  82  -2.040   7.994   3.556
  665    HD1  PHE  82           HD1      PHE  82  -3.798   6.487   4.048
  666    HD2  PHE  82           HD2      PHE  82  -4.032   8.927   0.494
  667    HE1  PHE  82           HE1      PHE  82  -5.858   5.302   3.367
  668    HE2  PHE  82           HE2      PHE  82  -6.075   7.723  -0.197
  669    HZ   PHE  82           HZ       PHE  82  -6.992   5.914   1.208
  670    H    GLY  83           H        GLY  83  -5.165   9.760   3.244
  671   1HA   GLY  83          1HA       GLY  83  -5.454  11.162   5.820
  672   2HA   GLY  83          2HA       GLY  83  -6.732  10.736   4.695
  673    H    GLY  84           H        GLY  84  -5.938   7.820   4.683
  674   1HA   GLY  84          1HA       GLY  84  -6.091   5.900   6.102
  675   2HA   GLY  84          2HA       GLY  84  -6.455   6.930   7.476
  676    H    LEU  85           H        LEU  85  -7.794   4.777   5.215
  677    HA   LEU  85           HA       LEU  85 -10.485   5.917   5.124
  678   1HB   LEU  85          2HB       LEU  85  -9.384   3.287   4.073
  679   2HB   LEU  85          3HB       LEU  85 -10.983   3.922   3.737
  680    HG   LEU  85           HG       LEU  85  -8.370   5.242   2.907
  681   1HD1  LEU  85          1HD1      LEU  85 -10.436   3.855   1.169
  682   2HD1  LEU  85          2HD1      LEU  85  -8.868   4.520   0.657
  683   3HD1  LEU  85          3HD1      LEU  85  -8.949   3.089   1.694
  684   1HD2  LEU  85          1HD2      LEU  85 -10.159   6.920   3.176
  685   2HD2  LEU  85          2HD2      LEU  85  -9.821   6.660   1.466
  686   3HD2  LEU  85          3HD2      LEU  85 -11.260   5.917   2.198
  687    H    LYS  86           H        LYS  86 -11.239   5.926   7.171
  688    HA   LYS  86           HA       LYS  86 -11.413   3.822   9.076
  689   1HB   LYS  86          2HB       LYS  86 -12.950   6.402   8.641
  690   2HB   LYS  86          3HB       LYS  86 -13.384   5.311   9.949
  691   1HG   LYS  86          2HG       LYS  86 -11.025   5.374  10.782
  692   2HG   LYS  86          3HG       LYS  86 -10.702   6.677   9.616
  693   1HD   LYS  86          2HD       LYS  86 -12.462   8.070  10.666
  694   2HD   LYS  86          3HD       LYS  86 -12.944   6.720  11.697
  695   1HE   LYS  86          2HE       LYS  86 -11.687   8.146  13.086
  696   2HE   LYS  86          3HE       LYS  86 -10.684   6.728  12.762
  697   1HZ   LYS  86          1HZ       LYS  86 -10.442   9.374  11.435
  698   2HZ   LYS  86          2HZ       LYS  86  -9.393   8.750  12.535
  699   3HZ   LYS  86          3HZ       LYS  86  -9.529   8.068  11.049
  700    H    LYS  87           H        LYS  87 -12.402   2.756   6.463
  701    HA   LYS  87           HA       LYS  87 -14.973   1.595   7.459
  702   1HB   LYS  87          2HB       LYS  87 -14.405   2.614   4.656
  703   2HB   LYS  87          3HB       LYS  87 -15.673   1.450   5.002
  704   1HG   LYS  87          2HG       LYS  87 -15.516   4.256   6.188
  705   2HG   LYS  87          3HG       LYS  87 -16.531   3.745   4.836
  706   1HD   LYS  87          2HD       LYS  87 -17.656   2.082   6.388
  707   2HD   LYS  87          3HD       LYS  87 -16.755   2.819   7.731
  708   1HE   LYS  87          2HE       LYS  87 -17.749   5.038   7.135
  709   2HE   LYS  87          3HE       LYS  87 -18.705   4.251   5.873
  710   1HZ   LYS  87          1HZ       LYS  87 -18.886   3.649   8.781
  711   2HZ   LYS  87          2HZ       LYS  87 -19.978   4.522   7.923
  712   3HZ   LYS  87          3HZ       LYS  87 -19.788   2.924   7.615
  713    H    GLU  88           H        GLU  88 -14.217  -0.206   8.190
  714    HA   GLU  88           HA       GLU  88 -12.632  -2.232   7.478
  715   1HB   GLU  88          2HB       GLU  88 -14.215  -2.284   9.264
  716   2HB   GLU  88          3HB       GLU  88 -15.573  -2.193   8.181
  717   1HG   GLU  88          2HG       GLU  88 -13.918  -4.602   7.708
  718   2HG   GLU  88          3HG       GLU  88 -14.453  -4.486   9.375
  719    H    LYS  89           H        LYS  89 -15.836  -2.105   5.811
  720    HA   LYS  89           HA       LYS  89 -15.235  -4.160   4.040
  721   1HB   LYS  89          2HB       LYS  89 -17.282  -1.995   3.495
  722   2HB   LYS  89          3HB       LYS  89 -17.271  -3.692   2.974
  723   1HG   LYS  89          2HG       LYS  89 -16.967  -4.081   5.570
  724   2HG   LYS  89          3HG       LYS  89 -17.801  -2.543   5.709
  725   1HD   LYS  89          2HD       LYS  89 -19.812  -3.543   4.735
  726   2HD   LYS  89          3HD       LYS  89 -18.902  -5.045   4.348
  727   1HE   LYS  89          2HE       LYS  89 -18.268  -5.274   6.744
  728   2HE   LYS  89          3HE       LYS  89 -19.168  -3.836   7.149
  729   1HZ   LYS  89          1HZ       LYS  89 -20.244  -6.410   6.209
  730   2HZ   LYS  89          2HZ       LYS  89 -20.406  -5.734   7.696
  731   3HZ   LYS  89          3HZ       LYS  89 -21.186  -5.057   6.402
  732    H    ASP  90           H        ASP  90 -14.818  -0.783   3.474
  733    HA   ASP  90           HA       ASP  90 -13.963  -0.753   0.699
  734   1HB   ASP  90          2HB       ASP  90 -14.470   1.327   1.879
  735   2HB   ASP  90          3HB       ASP  90 -13.196   1.051   3.038
  736    H    ARG  91           H        ARG  91 -12.150  -0.952   3.699
  737    HA   ARG  91           HA       ARG  91  -9.543  -1.450   2.646
  738   1HB   ARG  91          2HB       ARG  91 -10.612  -2.625   5.251
  739   2HB   ARG  91          3HB       ARG  91  -8.942  -2.361   4.854
  740   1HG   ARG  91          2HG       ARG  91 -10.770   0.064   4.914
  741   2HG   ARG  91          3HG       ARG  91 -10.344  -0.730   6.429
  742   1HD   ARG  91          2HD       ARG  91  -8.822   1.022   6.101
  743   2HD   ARG  91          3HD       ARG  91  -7.944  -0.496   5.852
  744    HE   ARG  91           HE       ARG  91  -8.753   0.293   3.297
  745   1HH1  ARG  91          1HH2      ARG  91  -7.010   1.838   5.820
  746   2HH1  ARG  91          2HH2      ARG  91  -5.901   2.706   4.790
  747   1HH2  ARG  91          1HH1      ARG  91  -7.287   1.252   1.933
  748   2HH2  ARG  91          2HH1      ARG  91  -6.134   2.427   2.519
  749    H    ASN  92           H        ASN  92 -11.970  -3.868   3.656
  750    HA   ASN  92           HA       ASN  92 -10.439  -6.157   2.953
  751   1HB   ASN  92          2HB       ASN  92 -13.424  -5.702   3.237
  752   2HB   ASN  92          3HB       ASN  92 -12.756  -7.246   2.733
  753   1HD2  ASN  92          2HD2      ASN  92 -13.027  -5.027   5.514
  754   2HD2  ASN  92          1HD2      ASN  92 -12.506  -6.314   6.624
  755    H    ASP  93           H        ASP  93 -12.750  -4.306   0.851
  756    HA   ASP  93           HA       ASP  93 -12.252  -5.986  -1.460
  757   1HB   ASP  93          2HB       ASP  93 -13.520  -3.302  -0.969
  758   2HB   ASP  93          3HB       ASP  93 -13.021  -3.703  -2.608
  759    H    LEU  94           H        LEU  94 -10.723  -2.974  -0.359
  760    HA   LEU  94           HA       LEU  94  -8.945  -2.567  -2.542
  761   1HB   LEU  94          2HB       LEU  94  -9.501  -1.178  -0.286
  762   2HB   LEU  94          3HB       LEU  94  -8.026  -1.929   0.255
  763    HG   LEU  94           HG       LEU  94  -7.508   0.233  -0.525
  764   1HD1  LEU  94          1HD1      LEU  94  -6.702  -1.535  -2.860
  765   2HD1  LEU  94          2HD1      LEU  94  -5.938  -0.025  -2.329
  766   3HD1  LEU  94          3HD1      LEU  94  -5.871  -1.465  -1.290
  767   1HD2  LEU  94          1HD2      LEU  94  -9.544   0.638  -1.816
  768   2HD2  LEU  94          2HD2      LEU  94  -8.095   1.150  -2.697
  769   3HD2  LEU  94          3HD2      LEU  94  -8.917  -0.360  -3.149
  770    H    ILE  95           H        ILE  95  -8.402  -4.401   0.475
  771    HA   ILE  95           HA       ILE  95  -5.822  -5.502  -0.080
  772    HB   ILE  95           HB       ILE  95  -8.161  -6.625   1.493
  773   1HG1  ILE  95          2HG1      ILE  95  -5.573  -5.502   2.640
  774   2HG1  ILE  95          3HG1      ILE  95  -6.926  -4.449   2.266
  775   1HG2  ILE  95          1HG2      ILE  95  -5.274  -7.624   1.434
  776   2HG2  ILE  95          2HG2      ILE  95  -6.516  -8.170   2.571
  777   3HG2  ILE  95          3HG2      ILE  95  -6.705  -8.520   0.868
  778   1HD1  ILE  95          1HD1      ILE  95  -6.873  -6.704   4.299
  779   2HD1  ILE  95          2HD1      ILE  95  -7.211  -4.981   4.545
  780   3HD1  ILE  95          3HD1      ILE  95  -8.391  -5.988   3.721
  781    H    THR  96           H        THR  96  -9.064  -6.853  -0.751
  782    HA   THR  96           HA       THR  96  -8.264  -9.213  -2.052
  783    HB   THR  96           HB       THR  96 -10.732  -7.617  -2.861
  784    HG1  THR  96           1HG      THR  96 -10.744  -7.931  -0.612
  785   1HG2  THR  96          1HG2      THR  96 -10.129 -10.611  -2.802
  786   2HG2  THR  96          2HG2      THR  96 -11.682  -9.874  -3.239
  787   3HG2  THR  96          3HG2      THR  96 -10.262  -9.620  -4.267
  788    H    TYR  97           H        TYR  97  -8.646  -5.994  -3.543
  789    HA   TYR  97           HA       TYR  97  -7.882  -6.862  -6.229
  790   1HB   TYR  97          2HB       TYR  97  -9.075  -4.818  -5.971
  791   2HB   TYR  97          3HB       TYR  97  -7.883  -4.160  -4.857
  792    HD1  TYR  97           HD1      TYR  97  -7.793  -5.682  -8.325
  793    HD2  TYR  97           HD2      TYR  97  -6.520  -2.470  -5.745
  794    HE1  TYR  97           HE1      TYR  97  -6.723  -4.553 -10.265
  795    HE2  TYR  97           HE2      TYR  97  -5.398  -1.389  -7.700
  796    HH   TYR  97           HH       TYR  97  -5.124  -2.813 -10.838
  797    H    LEU  98           H        LEU  98  -6.017  -5.058  -3.713
  798    HA   LEU  98           HA       LEU  98  -3.699  -5.014  -5.337
  799   1HB   LEU  98          2HB       LEU  98  -4.530  -4.012  -2.794
  800   2HB   LEU  98          3HB       LEU  98  -3.054  -4.881  -2.470
  801    HG   LEU  98           HG       LEU  98  -3.288  -2.861  -4.750
  802   1HD1  LEU  98          1HD1      LEU  98  -2.301  -2.353  -1.924
  803   2HD1  LEU  98          2HD1      LEU  98  -2.220  -1.221  -3.295
  804   3HD1  LEU  98          3HD1      LEU  98  -3.793  -1.710  -2.651
  805   1HD2  LEU  98          1HD2      LEU  98  -1.342  -4.400  -4.873
  806   2HD2  LEU  98          2HD2      LEU  98  -0.827  -2.763  -4.519
  807   3HD2  LEU  98          3HD2      LEU  98  -0.883  -3.968  -3.215
  808    H    LYS  99           H        LYS  99  -4.700  -7.345  -2.963
  809    HA   LYS  99           HA       LYS  99  -2.504  -9.181  -3.051
  810   1HB   LYS  99          2HB       LYS  99  -4.389  -9.448  -1.521
  811   2HB   LYS  99          3HB       LYS  99  -5.507  -9.696  -2.879
  812   1HG   LYS  99          2HG       LYS  99  -4.340 -11.730  -3.531
  813   2HG   LYS  99          3HG       LYS  99  -3.100 -11.441  -2.295
  814   1HD   LYS  99          2HD       LYS  99  -5.997 -11.730  -1.493
  815   2HD   LYS  99          3HD       LYS  99  -5.075 -13.170  -1.926
  816   1HE   LYS  99          2HE       LYS  99  -4.126 -11.197   0.202
  817   2HE   LYS  99          3HE       LYS  99  -5.159 -12.580   0.538
  818   1HZ   LYS  99          1HZ       LYS  99  -2.364 -12.711  -0.458
  819   2HZ   LYS  99          2HZ       LYS  99  -3.055 -13.366   0.915
  820   3HZ   LYS  99          3HZ       LYS  99  -3.322 -13.925  -0.636
  821    H    LYS 100           H        LYS 100  -5.343  -9.039  -5.258
  822    HA   LYS 100           HA       LYS 100  -4.219 -11.102  -6.971
  823   1HB   LYS 100          2HB       LYS 100  -6.758 -10.064  -6.485
  824   2HB   LYS 100          3HB       LYS 100  -6.456  -9.560  -8.123
  825   1HG   LYS 100          2HG       LYS 100  -6.140 -12.446  -7.121
  826   2HG   LYS 100          3HG       LYS 100  -7.633 -11.782  -7.752
  827   1HD   LYS 100          2HD       LYS 100  -6.882 -12.856  -9.612
  828   2HD   LYS 100          3HD       LYS 100  -6.302 -11.222  -9.905
  829   1HE   LYS 100          2HE       LYS 100  -4.590 -12.769 -10.571
  830   2HE   LYS 100          3HE       LYS 100  -4.018 -11.937  -9.132
  831   1HZ   LYS 100          1HZ       LYS 100  -5.173 -14.676  -9.018
  832   2HZ   LYS 100          2HZ       LYS 100  -3.549 -14.263  -8.992
  833   3HZ   LYS 100          3HZ       LYS 100  -4.401 -13.782  -7.818
  834    H    ALA 101           H        ALA 101  -3.449  -7.948  -6.783
  835    HA   ALA 101           HA       ALA 101  -2.407  -7.765  -9.574
  836   1HB   ALA 101          1HB       ALA 101  -2.156  -5.779  -7.290
  837   2HB   ALA 101          2HB       ALA 101  -1.742  -5.520  -8.998
  838   3HB   ALA 101          3HB       ALA 101  -3.437  -5.761  -8.529
  839    H    THR 102           H        THR 102  -1.376  -9.100  -6.642
  840    HA   THR 102           HA       THR 102   1.499  -9.141  -7.509
  841    HB   THR 102           HB       THR 102   0.339  -9.249  -4.717
  842    HG1  THR 102           1HG      THR 102   0.730  -7.226  -5.649
  843   1HG2  THR 102          1HG2      THR 102   3.180  -9.811  -5.657
  844   2HG2  THR 102          2HG2      THR 102   2.750  -9.392  -3.979
  845   3HG2  THR 102          3HG2      THR 102   2.129 -10.880  -4.706
  846    H    GLU 103           H        GLU 103  -1.211 -11.096  -6.138
  847    HA   GLU 103           HA       GLU 103   0.085 -13.615  -7.062
  848   1HB   GLU 103          2HB       GLU 103  -0.921 -14.711  -5.041
  849   2HB   GLU 103          3HB       GLU 103   0.422 -13.620  -4.706
  850   1HG   GLU 103          2HG       GLU 103  -1.047 -11.904  -3.868
  851   2HG   GLU 103          3HG       GLU 103  -2.478 -12.747  -4.422
  852    HHA  HEC 104           HHA      HEC 104   5.162   3.498   1.203
  853    HHB  HEC 104           HHB      HEC 104  -0.349   0.471  -0.307
  854    HHC  HEC 104           HHC      HEC 104  -3.184   6.211  -1.417
  855    HHD  HEC 104           HHD      HEC 104   2.639   8.949  -1.107
  856   1HMA  HEC 104          1HMA      HEC 104   1.809  -1.001   1.648
  857   2HMA  HEC 104          2HMA      HEC 104   1.212  -1.048  -0.029
  858   3HMA  HEC 104          3HMA      HEC 104   2.931  -1.271   0.295
  859   1HAA  HEC 104          1HAA      HEC 104   4.425  -0.243   1.818
  860   2HAA  HEC 104          2HAA      HEC 104   5.048   1.332   2.284
  861   1HBA  HEC 104          1HBA      HEC 104   6.138   1.570   0.100
  862   2HBA  HEC 104          2HBA      HEC 104   5.422   0.060  -0.454
  863   1HMB  HEC 104          1HMB      HEC 104  -3.682   0.637  -0.304
  864   2HMB  HEC 104          2HMB      HEC 104  -3.619   0.919  -2.056
  865   3HMB  HEC 104          3HMB      HEC 104  -2.272   0.135  -1.243
  866    HAB  HEC 104           HAB      HEC 104  -4.653   4.822  -1.223
  867   1HBB  HEC 104          1HBB      HEC 104  -4.914   3.633   0.905
  868   2HBB  HEC 104          2HBB      HEC 104  -6.366   3.629  -0.116
  869   3HBB  HEC 104          3HBB      HEC 104  -5.371   2.169   0.002
  870   1HMC  HEC 104          1HMC      HEC 104  -3.454   8.479  -1.630
  871   2HMC  HEC 104          2HMC      HEC 104  -2.542   9.822  -2.317
  872   3HMC  HEC 104          3HMC      HEC 104  -2.709   8.304  -3.223
  873    HAC  HEC 104           HAC      HEC 104   1.413  10.107  -2.253
  874   1HBC  HEC 104          1HBC      HEC 104   0.251  11.199  -0.426
  875   2HBC  HEC 104          2HBC      HEC 104   0.295  12.194  -1.895
  876   3HBC  HEC 104          3HBC      HEC 104  -1.204  11.366  -1.431
  877   1HMD  HEC 104          1HMD      HEC 104   5.027   9.334  -0.135
  878   2HMD  HEC 104          2HMD      HEC 104   6.339   8.245  -0.656
  879   3HMD  HEC 104          3HMD      HEC 104   4.973   8.593  -1.722
  880   1HAD  HEC 104          1HAD      HEC 104   6.177   5.413   2.175
  881   2HAD  HEC 104          2HAD      HEC 104   6.267   7.141   1.923
  882   1HBD  HEC 104          1HBD      HEC 104   7.402   6.161  -0.419
  883   2HBD  HEC 104          2HBD      HEC 104   7.916   4.973   0.770
  Start of MODEL    7
    1   1H    THR  -5          H1        THR  -5 -11.266 -15.837  10.980
    2   2H    THR  -5          H2        THR  -5 -12.698 -16.635  10.815
    3   3H    THR  -5          H3        THR  -5 -12.422 -15.578  12.080
    4    HA   THR  -5           HA       THR  -5 -12.372 -14.751   9.279
    5    HB   THR  -5           HB       THR  -5 -14.654 -15.541  10.059
    6    HG1  THR  -5           1HG      THR  -5 -14.210 -12.937   9.063
    7   1HG2  THR  -5          1HG2      THR  -5 -14.794 -12.898  11.549
    8   2HG2  THR  -5          2HG2      THR  -5 -16.091 -14.071  11.284
    9   3HG2  THR  -5          3HG2      THR  -5 -14.724 -14.495  12.331
   10    H    GLU  -4           H        GLU  -4 -11.107 -13.267   9.293
   11    HA   GLU  -4           HA       GLU  -4 -10.614 -11.203  11.402
   12   1HB   GLU  -4          2HB       GLU  -4  -8.780 -13.147   9.916
   13   2HB   GLU  -4          3HB       GLU  -4  -8.212 -11.820  10.918
   14   1HG   GLU  -4          2HG       GLU  -4  -8.068 -13.903  12.141
   15   2HG   GLU  -4          3HG       GLU  -4  -9.207 -12.804  12.910
   16    H    PHE  -3           H        PHE  -3  -9.093 -11.965   8.292
   17    HA   PHE  -3           HA       PHE  -3 -10.040  -9.493   6.977
   18   1HB   PHE  -3          2HB       PHE  -3  -7.850 -10.395   6.365
   19   2HB   PHE  -3          3HB       PHE  -3  -8.525 -11.995   6.121
   20    HD1  PHE  -3           HD1      PHE  -3  -9.464  -8.573   4.805
   21    HD2  PHE  -3           HD2      PHE  -3  -8.187 -12.579   3.900
   22    HE1  PHE  -3           HE1      PHE  -3  -9.790  -8.138   2.382
   23    HE2  PHE  -3           HE2      PHE  -3  -8.385 -12.105   1.484
   24    HZ   PHE  -3           HZ       PHE  -3  -9.237  -9.880   0.710
   25    H    LYS  -2           H        LYS  -2 -11.689  -9.642   5.300
   26    HA   LYS  -2           HA       LYS  -2 -12.622 -12.313   4.555
   27   1HB   LYS  -2          2HB       LYS  -2 -14.288 -11.602   6.305
   28   2HB   LYS  -2          3HB       LYS  -2 -14.709 -10.219   5.279
   29   1HG   LYS  -2          2HG       LYS  -2 -15.064 -12.035   3.400
   30   2HG   LYS  -2          3HG       LYS  -2 -15.047 -13.201   4.725
   31   1HD   LYS  -2          2HD       LYS  -2 -17.015 -12.091   5.723
   32   2HD   LYS  -2          3HD       LYS  -2 -16.941 -10.822   4.466
   33   1HE   LYS  -2          2HE       LYS  -2 -17.120 -12.604   2.708
   34   2HE   LYS  -2          3HE       LYS  -2 -17.341 -13.814   3.981
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.129 -11.521   3.413
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.462 -13.101   3.103
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.352 -12.582   4.660
   38    H    ALA  -1           H        ALA  -1 -11.849 -12.182   2.558
   39    HA   ALA  -1           HA       ALA  -1 -11.685 -10.024   0.847
   40   1HB   ALA  -1          1HB       ALA  -1 -12.266 -12.913   0.057
   41   2HB   ALA  -1          2HB       ALA  -1 -11.502 -11.675  -0.961
   42   3HB   ALA  -1          3HB       ALA  -1 -10.662 -12.276   0.480
   43    H    GLY   1           H        GLY   1 -12.785  -9.191  -0.798
   44   1HA   GLY   1          1HA       GLY   1 -15.790  -9.496  -0.793
   45   2HA   GLY   1          2HA       GLY   1 -14.933  -7.990  -1.102
   46    H    SER   2           H        SER   2 -13.977  -7.662  -3.141
   47    HA   SER   2           HA       SER   2 -14.002  -9.766  -5.233
   48   1HB   SER   2          2HB       SER   2 -16.257  -8.759  -5.345
   49   2HB   SER   2          3HB       SER   2 -15.515  -7.157  -5.492
   50    HG   SER   2           HG       SER   2 -15.540  -9.301  -7.311
   51    H    ALA   3           H        ALA   3 -12.074  -9.599  -6.287
   52    HA   ALA   3           HA       ALA   3 -10.266  -7.492  -5.948
   53   1HB   ALA   3          1HB       ALA   3 -10.427  -9.453  -8.275
   54   2HB   ALA   3          2HB       ALA   3  -9.001  -8.507  -7.793
   55   3HB   ALA   3          3HB       ALA   3  -9.640  -9.746  -6.704
   56    H    LYS   4           H        LYS   4 -13.016  -7.383  -8.080
   57    HA   LYS   4           HA       LYS   4 -11.859  -5.061  -9.536
   58   1HB   LYS   4          2HB       LYS   4 -14.164  -6.881 -10.111
   59   2HB   LYS   4          3HB       LYS   4 -14.331  -5.194 -10.614
   60   1HG   LYS   4          2HG       LYS   4 -12.166  -5.289 -11.794
   61   2HG   LYS   4          3HG       LYS   4 -11.991  -6.999 -11.356
   62   1HD   LYS   4          2HD       LYS   4 -13.913  -7.607 -12.721
   63   2HD   LYS   4          3HD       LYS   4 -14.368  -5.914 -12.931
   64   1HE   LYS   4          2HE       LYS   4 -13.337  -6.725 -14.973
   65   2HE   LYS   4          3HE       LYS   4 -12.353  -5.455 -14.239
   66   1HZ   LYS   4          1HZ       LYS   4 -11.810  -8.365 -14.059
   67   2HZ   LYS   4          2HZ       LYS   4 -10.967  -7.288 -14.966
   68   3HZ   LYS   4          3HZ       LYS   4 -10.905  -7.187 -13.332
   69    H    LYS   5           H        LYS   5 -13.639  -5.454  -6.812
   70    HA   LYS   5           HA       LYS   5 -14.859  -2.720  -6.814
   71   1HB   LYS   5          2HB       LYS   5 -14.549  -4.839  -4.679
   72   2HB   LYS   5          3HB       LYS   5 -15.035  -3.181  -4.303
   73   1HG   LYS   5          2HG       LYS   5 -16.971  -3.445  -5.908
   74   2HG   LYS   5          3HG       LYS   5 -16.546  -5.165  -6.057
   75   1HD   LYS   5          2HD       LYS   5 -16.735  -5.367  -3.558
   76   2HD   LYS   5          3HD       LYS   5 -17.209  -3.669  -3.476
   77   1HE   LYS   5          2HE       LYS   5 -19.223  -4.733  -3.315
   78   2HE   LYS   5          3HE       LYS   5 -19.167  -4.357  -5.047
   79   1HZ   LYS   5          1HZ       LYS   5 -18.375  -6.926  -3.795
   80   2HZ   LYS   5          2HZ       LYS   5 -19.810  -6.686  -4.570
   81   3HZ   LYS   5          3HZ       LYS   5 -18.395  -6.644  -5.415
   82    H    GLY   6           H        GLY   6 -12.247  -4.332  -4.933
   83   1HA   GLY   6          1HA       GLY   6 -10.873  -2.038  -4.073
   84   2HA   GLY   6          2HA       GLY   6 -10.096  -3.564  -4.446
   85    H    ALA   7           H        ALA   7 -10.569  -3.629  -7.295
   86    HA   ALA   7           HA       ALA   7  -8.627  -1.886  -8.374
   87   1HB   ALA   7          1HB       ALA   7 -10.989  -3.027  -9.916
   88   2HB   ALA   7          2HB       ALA   7  -9.411  -2.534 -10.552
   89   3HB   ALA   7          3HB       ALA   7  -9.532  -3.951  -9.498
   90    H    THR   8           H        THR   8 -12.218  -1.442  -8.515
   91    HA   THR   8           HA       THR   8 -11.906   1.139  -9.791
   92    HB   THR   8           HB       THR   8 -13.918  -0.473  -9.913
   93    HG1  THR   8           1HG      THR   8 -15.008   1.924  -9.696
   94   1HG2  THR   8          1HG2      THR   8 -14.902   1.306  -7.634
   95   2HG2  THR   8          2HG2      THR   8 -15.866   0.168  -8.605
   96   3HG2  THR   8          3HG2      THR   8 -14.612  -0.438  -7.524
   97    H    LEU   9           H        LEU   9 -11.779   0.232  -6.473
   98    HA   LEU   9           HA       LEU   9 -12.093   2.923  -5.382
   99   1HB   LEU   9          2HB       LEU   9 -11.040   0.286  -4.321
  100   2HB   LEU   9          3HB       LEU   9 -10.877   1.772  -3.391
  101    HG   LEU   9           HG       LEU   9 -13.550   0.925  -4.472
  102   1HD1  LEU   9          1HD1      LEU   9 -12.286   0.079  -1.816
  103   2HD1  LEU   9          2HD1      LEU   9 -13.994  -0.144  -2.244
  104   3HD1  LEU   9          3HD1      LEU   9 -12.746  -0.993  -3.161
  105   1HD2  LEU   9          1HD2      LEU   9 -13.327   3.237  -3.559
  106   2HD2  LEU   9          2HD2      LEU   9 -14.400   2.240  -2.564
  107   3HD2  LEU   9          3HD2      LEU   9 -12.742   2.553  -2.022
  108    H    PHE  10           H        PHE  10  -9.293   0.740  -5.724
  109    HA   PHE  10           HA       PHE  10  -7.205   2.463  -5.055
  110   1HB   PHE  10          2HB       PHE  10  -6.845   0.100  -5.382
  111   2HB   PHE  10          3HB       PHE  10  -7.270   0.215  -7.089
  112    HD1  PHE  10           HD1      PHE  10  -5.707   1.142  -8.746
  113    HD2  PHE  10           HD2      PHE  10  -4.614   0.821  -4.589
  114    HE1  PHE  10           HE1      PHE  10  -3.386   1.793  -9.296
  115    HE2  PHE  10           HE2      PHE  10  -2.309   1.589  -5.164
  116    HZ   PHE  10           HZ       PHE  10  -1.712   2.127  -7.497
  117    H    LYS  11           H        LYS  11  -8.801   2.197  -8.135
  118    HA   LYS  11           HA       LYS  11  -7.366   3.767  -9.956
  119   1HB   LYS  11          2HB       LYS  11  -9.454   2.487 -10.329
  120   2HB   LYS  11          3HB       LYS  11 -10.350   3.702  -9.411
  121   1HG   LYS  11          2HG       LYS  11  -9.622   5.405 -11.186
  122   2HG   LYS  11          3HG       LYS  11  -9.034   4.032 -12.138
  123   1HD   LYS  11          2HD       LYS  11 -11.878   4.380 -11.067
  124   2HD   LYS  11          3HD       LYS  11 -11.372   4.786 -12.713
  125   1HE   LYS  11          2HE       LYS  11 -10.880   2.500 -13.250
  126   2HE   LYS  11          3HE       LYS  11 -11.013   1.992 -11.560
  127   1HZ   LYS  11          1HZ       LYS  11 -13.313   3.092 -13.064
  128   2HZ   LYS  11          2HZ       LYS  11 -13.009   1.483 -12.928
  129   3HZ   LYS  11          3HZ       LYS  11 -13.342   2.346 -11.590
  130    H    THR  12           H        THR  12  -9.493   5.007  -7.372
  131    HA   THR  12           HA       THR  12  -8.395   7.766  -7.802
  132    HB   THR  12           HB       THR  12 -10.632   8.618  -7.089
  133    HG1  THR  12           1HG      THR  12 -12.349   7.208  -7.160
  134   1HG2  THR  12          1HG2      THR  12 -10.768   6.893  -9.594
  135   2HG2  THR  12          2HG2      THR  12 -11.733   8.337  -9.228
  136   3HG2  THR  12          3HG2      THR  12  -9.989   8.489  -9.506
  137    H    ARG  13           H        ARG  13  -8.516   5.298  -5.574
  138    HA   ARG  13           HA       ARG  13  -8.240   7.151  -3.287
  139   1HB   ARG  13          2HB       ARG  13  -7.977   4.111  -3.541
  140   2HB   ARG  13          3HB       ARG  13  -7.804   4.958  -2.017
  141   1HG   ARG  13          2HG       ARG  13 -10.385   4.948  -3.647
  142   2HG   ARG  13          3HG       ARG  13  -9.969   3.796  -2.373
  143   1HD   ARG  13          2HD       ARG  13  -9.613   5.922  -0.894
  144   2HD   ARG  13          3HD       ARG  13 -10.542   6.745  -2.155
  145    HE   ARG  13           HE       ARG  13 -11.575   4.290  -0.706
  146   1HH1  ARG  13          1HH2      ARG  13 -12.264   7.618  -1.714
  147   2HH1  ARG  13          2HH2      ARG  13 -13.841   7.516  -0.969
  148   1HH2  ARG  13          1HH1      ARG  13 -13.454   4.276   0.089
  149   2HH2  ARG  13          2HH1      ARG  13 -14.586   5.599  -0.071
  150    H    CYS  14           H        CYS  14  -6.132   5.237  -5.322
  151    HA   CYS  14           HA       CYS  14  -3.746   5.973  -3.642
  152   1HB   CYS  14          2HB       CYS  14  -4.283   3.363  -4.941
  153   2HB   CYS  14          3HB       CYS  14  -3.031   3.677  -3.748
  154    H    LEU  15           H        LEU  15  -4.857   4.819  -6.890
  155    HA   LEU  15           HA       LEU  15  -2.471   4.707  -8.262
  156   1HB   LEU  15          2HB       LEU  15  -4.735   4.005  -9.061
  157   2HB   LEU  15          3HB       LEU  15  -5.160   5.700  -9.221
  158    HG   LEU  15           HG       LEU  15  -3.323   5.931 -10.958
  159   1HD1  LEU  15          1HD1      LEU  15  -3.443   2.906 -11.157
  160   2HD1  LEU  15          2HD1      LEU  15  -2.424   4.024 -12.067
  161   3HD1  LEU  15          3HD1      LEU  15  -2.106   3.756 -10.350
  162   1HD2  LEU  15          1HD2      LEU  15  -5.697   5.740 -11.544
  163   2HD2  LEU  15          2HD2      LEU  15  -4.658   4.944 -12.742
  164   3HD2  LEU  15          3HD2      LEU  15  -5.557   3.969 -11.562
  165    H    GLN  16           H        GLN  16  -4.175   7.618  -7.294
  166    HA   GLN  16           HA       GLN  16  -2.875   9.574  -8.838
  167   1HB   GLN  16          2HB       GLN  16  -3.342  11.156  -7.089
  168   2HB   GLN  16          3HB       GLN  16  -4.721  10.119  -7.434
  169   1HG   GLN  16          2HG       GLN  16  -4.228   8.798  -5.369
  170   2HG   GLN  16          3HG       GLN  16  -2.865   9.876  -5.034
  171   1HE2  GLN  16          2HE2      GLN  16  -3.419  11.499  -3.455
  172   2HE2  GLN  16          1HE2      GLN  16  -5.110  12.047  -3.383
  173    H    CYS  17           H        CYS  17  -1.489   7.702  -6.168
  174    HA   CYS  17           HA       CYS  17   1.123   9.118  -6.506
  175   1HB   CYS  17          2HB       CYS  17  -0.109   7.746  -4.112
  176   2HB   CYS  17          3HB       CYS  17   1.525   8.392  -4.158
  177    H    HIS  18           H        HIS  18  -0.360   6.074  -7.005
  178    HA   HIS  18           HA       HIS  18   2.239   4.575  -6.919
  179   1HB   HIS  18          1HB       HIS  18  -0.463   3.894  -5.677
  180   2HB   HIS  18          2HB       HIS  18   0.815   2.712  -5.890
  181    HD1  HIS  18           HD1      HIS  18   3.337   3.942  -4.827
  182    HD2  HIS  18           HD2      HIS  18  -0.481   4.470  -3.161
  183    HE1  HIS  18           HE1      HIS  18   3.684   4.368  -2.337
  184    H    THR  19           H        THR  19   2.022   2.331  -7.765
  185    HA   THR  19           HA       THR  19   0.049   1.786  -9.937
  186    HB   THR  19           HB       THR  19   1.959   0.810 -11.173
  187    HG1  THR  19           1HG      THR  19   3.910   1.042 -10.348
  188   1HG2  THR  19          1HG2      THR  19   2.074   3.835 -10.830
  189   2HG2  THR  19          2HG2      THR  19   2.637   2.913 -12.230
  190   3HG2  THR  19          3HG2      THR  19   0.909   2.959 -11.849
  191    H    VAL  20           H        VAL  20  -0.440  -0.447 -10.147
  192    HA   VAL  20           HA       VAL  20   0.754  -2.260  -8.056
  193    HB   VAL  20           HB       VAL  20  -1.272  -3.454  -7.874
  194   1HG1  VAL  20          1HG1      VAL  20  -1.820  -0.500  -7.628
  195   2HG1  VAL  20          2HG1      VAL  20  -2.720  -1.781  -6.803
  196   3HG1  VAL  20          3HG1      VAL  20  -1.016  -1.497  -6.415
  197   1HG2  VAL  20          1HG2      VAL  20  -2.217  -3.196 -10.157
  198   2HG2  VAL  20          2HG2      VAL  20  -3.353  -2.819  -8.871
  199   3HG2  VAL  20          3HG2      VAL  20  -2.599  -1.495  -9.789
  200    H    GLU  21           H        GLU  21   0.134  -1.983 -11.462
  201    HA   GLU  21           HA       GLU  21   0.912  -4.780 -11.971
  202   1HB   GLU  21          2HB       GLU  21   0.706  -2.406 -13.818
  203   2HB   GLU  21          3HB       GLU  21   0.951  -4.069 -14.331
  204   1HG   GLU  21          2HG       GLU  21  -1.205  -4.788 -13.603
  205   2HG   GLU  21          3HG       GLU  21  -1.509  -3.326 -12.680
  206    H    LYS  22           H        LYS  22   3.012  -4.944 -13.511
  207    HA   LYS  22           HA       LYS  22   5.161  -3.958 -11.759
  208   1HB   LYS  22          2HB       LYS  22   4.848  -6.369 -12.528
  209   2HB   LYS  22          3HB       LYS  22   5.352  -5.845 -14.138
  210   1HG   LYS  22          2HG       LYS  22   7.507  -5.017 -13.173
  211   2HG   LYS  22          3HG       LYS  22   6.981  -5.544 -11.558
  212   1HD   LYS  22          2HD       LYS  22   6.800  -7.870 -12.417
  213   2HD   LYS  22          3HD       LYS  22   7.342  -7.319 -14.000
  214   1HE   LYS  22          2HE       LYS  22   8.878  -7.173 -11.345
  215   2HE   LYS  22          3HE       LYS  22   9.171  -8.362 -12.612
  216   1HZ   LYS  22          1HZ       LYS  22   9.589  -5.429 -12.954
  217   2HZ   LYS  22          2HZ       LYS  22  10.778  -6.479 -12.644
  218   3HZ   LYS  22          3HZ       LYS  22   9.955  -6.584 -14.061
  219    H    GLY  23           H        GLY  23   6.806  -2.634 -12.314
  220   1HA   GLY  23          1HA       GLY  23   8.346  -1.528 -13.720
  221   2HA   GLY  23          2HA       GLY  23   7.367  -1.931 -15.130
  222    H    GLY  24           H        GLY  24   5.407  -0.563 -12.652
  223   1HA   GLY  24          1HA       GLY  24   4.976   1.888 -14.099
  224   2HA   GLY  24          2HA       GLY  24   4.372   1.472 -12.486
  225    HA   PRO  25           HA       PRO  25   8.370   4.166 -12.304
  226   1HB   PRO  25          2HB       PRO  25   7.495   6.760 -12.525
  227   2HB   PRO  25          3HB       PRO  25   8.003   5.778 -13.935
  228   1HG   PRO  25          2HG       PRO  25   5.185   6.252 -12.914
  229   2HG   PRO  25          3HG       PRO  25   5.790   6.389 -14.598
  230   1HD   PRO  25          2HD       PRO  25   4.529   4.150 -13.689
  231   2HD   PRO  25          3HD       PRO  25   5.892   4.039 -14.846
  232    H    HIS  26           H        HIS  26   8.935   4.965 -10.301
  233    HA   HIS  26           HA       HIS  26   7.140   4.698  -8.072
  234   1HB   HIS  26          2HB       HIS  26   9.901   5.932  -8.231
  235   2HB   HIS  26          3HB       HIS  26   9.097   5.298  -6.785
  236    HD1  HIS  26           HD1      HIS  26   8.188   2.453  -8.005
  237    HD2  HIS  26           HD2      HIS  26  11.910   4.307  -8.592
  238    HE1  HIS  26           HE1      HIS  26   9.898   0.580  -8.291
  239    H    LYS  27           H        LYS  27   5.616   6.099  -9.037
  240    HA   LYS  27           HA       LYS  27   5.829   8.590 -10.058
  241   1HB   LYS  27          2HB       LYS  27   3.954   6.853 -10.122
  242   2HB   LYS  27          3HB       LYS  27   3.405   7.485  -8.580
  243   1HG   LYS  27          2HG       LYS  27   3.182   9.776  -9.795
  244   2HG   LYS  27          3HG       LYS  27   3.415   8.844 -11.294
  245   1HD   LYS  27          2HD       LYS  27   1.504   7.319 -10.504
  246   2HD   LYS  27          3HD       LYS  27   1.273   8.457  -9.164
  247   1HE   LYS  27          2HE       LYS  27   1.088  10.271 -11.040
  248   2HE   LYS  27          3HE       LYS  27   0.851   8.896 -12.136
  249   1HZ   LYS  27          1HZ       LYS  27  -0.750   9.651  -9.773
  250   2HZ   LYS  27          2HZ       LYS  27  -1.295   9.599 -11.336
  251   3HZ   LYS  27          3HZ       LYS  27  -0.965   8.204 -10.494
  252    H    VAL  28           H        VAL  28   4.871   7.939  -6.802
  253    HA   VAL  28           HA       VAL  28   5.844  10.562  -5.824
  254    HB   VAL  28           HB       VAL  28   3.042   9.610  -5.122
  255   1HG1  VAL  28          1HG1      VAL  28   4.540  12.131  -4.315
  256   2HG1  VAL  28          2HG1      VAL  28   2.849  11.756  -3.917
  257   3HG1  VAL  28          3HG1      VAL  28   4.147  10.765  -3.246
  258   1HG2  VAL  28          1HG2      VAL  28   2.961  10.590  -7.365
  259   2HG2  VAL  28          2HG2      VAL  28   2.220  11.690  -6.205
  260   3HG2  VAL  28          3HG2      VAL  28   3.866  12.008  -6.800
  261    H    GLY  29           H        GLY  29   4.247   7.503  -5.061
  262   1HA   GLY  29          1HA       GLY  29   6.400   6.848  -3.098
  263   2HA   GLY  29          2HA       GLY  29   4.769   6.177  -3.007
  264    HA   PRO  30           HA       PRO  30   7.649   3.553  -5.643
  265   1HB   PRO  30          2HB       PRO  30   7.528   1.202  -4.205
  266   2HB   PRO  30          3HB       PRO  30   8.643   2.553  -3.835
  267   1HG   PRO  30          2HG       PRO  30   5.913   1.963  -2.615
  268   2HG   PRO  30          3HG       PRO  30   7.449   2.289  -1.752
  269   1HD   PRO  30          2HD       PRO  30   5.673   4.253  -2.131
  270   2HD   PRO  30          3HD       PRO  30   7.408   4.576  -2.318
  271    H    ASN  31           H        ASN  31   7.214   1.205  -6.465
  272    HA   ASN  31           HA       ASN  31   4.469   1.016  -7.542
  273   1HB   ASN  31          2HB       ASN  31   6.747   0.451  -8.748
  274   2HB   ASN  31          3HB       ASN  31   6.680  -1.057  -7.833
  275   1HD2  ASN  31          2HD2      ASN  31   4.386  -2.351  -8.214
  276   2HD2  ASN  31          1HD2      ASN  31   3.806  -2.070  -9.863
  277    H    LEU  32           H        LEU  32   3.153  -0.901  -7.058
  278    HA   LEU  32           HA       LEU  32   3.561  -2.086  -4.361
  279   1HB   LEU  32          2HB       LEU  32   0.986  -1.196  -5.649
  280   2HB   LEU  32          3HB       LEU  32   1.194  -1.876  -4.041
  281    HG   LEU  32           HG       LEU  32   2.166   0.859  -4.957
  282   1HD1  LEU  32          1HD1      LEU  32  -0.084  -0.052  -3.111
  283   2HD1  LEU  32          2HD1      LEU  32   0.385   1.627  -3.392
  284   3HD1  LEU  32          3HD1      LEU  32  -0.267   0.657  -4.731
  285   1HD2  LEU  32          1HD2      LEU  32   3.665  -0.022  -3.207
  286   2HD2  LEU  32          2HD2      LEU  32   2.631   1.245  -2.545
  287   3HD2  LEU  32          3HD2      LEU  32   2.265  -0.462  -2.211
  288    H    HIS  33           H        HIS  33   4.510  -3.348  -6.470
  289    HA   HIS  33           HA       HIS  33   2.736  -5.755  -6.975
  290   1HB   HIS  33          2HB       HIS  33   3.130  -4.393  -9.032
  291   2HB   HIS  33          3HB       HIS  33   4.861  -4.532  -8.791
  292    HD1  HIS  33           HD1      HIS  33   1.837  -6.833  -9.625
  293    HD2  HIS  33           HD2      HIS  33   6.058  -6.730  -9.559
  294    HE1  HIS  33           HE1      HIS  33   2.644  -8.883 -10.910
  295    H    GLY  34           H        GLY  34   3.538  -7.351  -5.625
  296   1HA   GLY  34          1HA       GLY  34   5.152  -8.872  -4.809
  297   2HA   GLY  34          2HA       GLY  34   6.414  -7.999  -5.660
  298    H    ILE  35           H        ILE  35   4.424  -6.062  -3.622
  299    HA   ILE  35           HA       ILE  35   6.493  -5.633  -1.623
  300    HB   ILE  35           HB       ILE  35   5.079  -4.105  -0.561
  301   1HG1  ILE  35          2HG1      ILE  35   2.917  -5.133  -0.443
  302   2HG1  ILE  35          3HG1      ILE  35   2.805  -3.532  -1.131
  303   1HG2  ILE  35          1HG2      ILE  35   4.767  -3.783  -3.566
  304   2HG2  ILE  35          2HG2      ILE  35   4.675  -2.491  -2.337
  305   3HG2  ILE  35          3HG2      ILE  35   6.187  -3.367  -2.598
  306   1HD1  ILE  35          1HD1      ILE  35   2.562  -6.145  -2.680
  307   2HD1  ILE  35          2HD1      ILE  35   1.278  -4.996  -2.283
  308   3HD1  ILE  35          3HD1      ILE  35   2.558  -4.526  -3.406
  309    H    PHE  36           H        PHE  36   3.534  -7.579  -1.794
  310    HA   PHE  36           HA       PHE  36   3.344  -8.319   0.933
  311   1HB   PHE  36          2HB       PHE  36   2.354  -9.620  -1.630
  312   2HB   PHE  36          3HB       PHE  36   2.026 -10.269  -0.031
  313    HD1  PHE  36           HD1      PHE  36   1.022  -8.597   1.746
  314    HD2  PHE  36           HD2      PHE  36   0.722  -8.119  -2.536
  315    HE1  PHE  36           HE1      PHE  36  -0.950  -7.132   2.048
  316    HE2  PHE  36           HE2      PHE  36  -1.261  -6.677  -2.232
  317    HZ   PHE  36           HZ       PHE  36  -2.123  -6.206   0.075
  318    H    GLY  37           H        GLY  37   4.373  -9.650   2.076
  319   1HA   GLY  37          1HA       GLY  37   5.787 -11.384   2.801
  320   2HA   GLY  37          2HA       GLY  37   5.959 -11.953   1.137
  321    H    ARG  38           H        ARG  38   6.602  -8.684   1.050
  322    HA   ARG  38           HA       ARG  38   9.533  -9.023   1.307
  323   1HB   ARG  38          2HB       ARG  38   8.106  -7.670  -0.564
  324   2HB   ARG  38          3HB       ARG  38   8.187  -6.397   0.649
  325   1HG   ARG  38          2HG       ARG  38   9.953  -5.997  -0.824
  326   2HG   ARG  38          3HG       ARG  38  10.738  -6.711   0.585
  327   1HD   ARG  38          2HD       ARG  38  10.521  -8.968  -0.667
  328   2HD   ARG  38          3HD       ARG  38  10.076  -8.002  -2.091
  329    HE   ARG  38           HE       ARG  38  12.495  -6.994  -0.875
  330   1HH1  ARG  38          1HH2      ARG  38  11.503  -9.581  -2.979
  331   2HH1  ARG  38          2HH2      ARG  38  13.112  -9.795  -3.613
  332   1HH2  ARG  38          1HH1      ARG  38  14.395  -7.321  -1.537
  333   2HH2  ARG  38          2HH1      ARG  38  14.802  -8.471  -2.810
  334    H    HIS  39           H        HIS  39  10.600  -7.211   2.323
  335    HA   HIS  39           HA       HIS  39   9.354  -6.290   4.872
  336   1HB   HIS  39          2HB       HIS  39  12.271  -6.490   4.033
  337   2HB   HIS  39          3HB       HIS  39  11.703  -5.584   5.444
  338    HD1  HIS  39           HD1      HIS  39  12.425  -9.177   4.431
  339    HD2  HIS  39           HD2      HIS  39  10.360  -6.963   7.344
  340    HE1  HIS  39           HE1      HIS  39  11.822 -10.827   6.285
  341    H    SER  40           H        SER  40   8.761  -4.249   4.949
  342    HA   SER  40           HA       SER  40   8.451  -2.513   2.862
  343   1HB   SER  40          2HB       SER  40   7.366  -2.290   5.046
  344   2HB   SER  40          3HB       SER  40   8.912  -1.877   5.801
  345    HG   SER  40           HG       SER  40   7.689  -0.402   3.706
  346    H    GLY  41           H        GLY  41   9.339  -0.649   2.064
  347   1HA   GLY  41          1HA       GLY  41  11.107   0.867   1.581
  348   2HA   GLY  41          2HA       GLY  41  12.110   0.120   2.804
  349    H    GLN  42           H        GLN  42  10.603  -1.656   0.109
  350    HA   GLN  42           HA       GLN  42  13.278  -2.014  -1.173
  351   1HB   GLN  42          2HB       GLN  42  11.443  -4.255  -0.268
  352   2HB   GLN  42          3HB       GLN  42  12.842  -4.441  -1.339
  353   1HG   GLN  42          2HG       GLN  42  14.240  -3.343   0.501
  354   2HG   GLN  42          3HG       GLN  42  12.855  -3.550   1.571
  355   1HE2  GLN  42          2HE2      GLN  42  14.161  -5.011   2.924
  356   2HE2  GLN  42          1HE2      GLN  42  14.529  -6.633   2.334
  357    H    ALA  43           H        ALA  43  11.662  -0.305  -2.296
  358    HA   ALA  43           HA       ALA  43  10.647  -1.546  -4.778
  359   1HB   ALA  43          1HB       ALA  43  11.280   1.338  -4.022
  360   2HB   ALA  43          2HB       ALA  43  10.552   0.827  -5.560
  361   3HB   ALA  43          3HB       ALA  43   9.691   0.542  -4.042
  362    H    GLU  44           H        GLU  44  11.774  -0.454  -6.821
  363    HA   GLU  44           HA       GLU  44  14.197  -1.991  -6.912
  364   1HB   GLU  44          2HB       GLU  44  12.179  -1.958  -8.498
  365   2HB   GLU  44          3HB       GLU  44  12.847  -0.494  -9.207
  366   1HG   GLU  44          2HG       GLU  44  14.835  -1.713  -9.943
  367   2HG   GLU  44          3HG       GLU  44  14.338  -3.148  -9.044
  368    H    GLY  45           H        GLY  45  13.683   1.316  -8.212
  369   1HA   GLY  45          1HA       GLY  45  16.624   1.816  -7.842
  370   2HA   GLY  45          2HA       GLY  45  15.574   2.618  -8.997
  371    H    TYR  46           H        TYR  46  14.692   2.143  -5.596
  372    HA   TYR  46           HA       TYR  46  14.501   5.159  -5.427
  373   1HB   TYR  46          2HB       TYR  46  12.583   3.833  -6.380
  374   2HB   TYR  46          3HB       TYR  46  12.280   3.241  -4.769
  375    HD1  TYR  46           HD1      TYR  46  12.086   6.107  -7.063
  376    HD2  TYR  46           HD2      TYR  46  11.709   4.897  -2.963
  377    HE1  TYR  46           HE1      TYR  46  10.585   8.046  -6.648
  378    HE2  TYR  46           HE2      TYR  46  10.225   6.857  -2.513
  379    HH   TYR  46           HH       TYR  46   9.042   8.881  -5.195
  380    H    SER  47           H        SER  47  15.037   6.155  -3.699
  381    HA   SER  47           HA       SER  47  15.646   4.880  -1.143
  382   1HB   SER  47          2HB       SER  47  15.436   7.820  -1.927
  383   2HB   SER  47          3HB       SER  47  16.072   7.198  -0.391
  384    HG   SER  47           HG       SER  47  17.768   7.600  -1.820
  385    H    TYR  48           H        TYR  48  14.480   4.990   0.750
  386    HA   TYR  48           HA       TYR  48  11.706   6.121   0.648
  387   1HB   TYR  48          2HB       TYR  48  13.008   3.887   2.242
  388   2HB   TYR  48          3HB       TYR  48  11.479   4.605   2.709
  389    HD1  TYR  48           HD1      TYR  48   9.485   3.745   1.912
  390    HD2  TYR  48           HD2      TYR  48  13.107   2.996  -0.338
  391    HE1  TYR  48           HE1      TYR  48   8.299   2.095   0.522
  392    HE2  TYR  48           HE2      TYR  48  11.882   1.446  -1.783
  393    HH   TYR  48           HH       TYR  48   8.753   0.169  -0.887
  394    H    THR  49           H        THR  49  10.916   6.899   2.773
  395    HA   THR  49           HA       THR  49  12.672   8.810   4.118
  396    HB   THR  49           HB       THR  49  10.820   8.845   5.852
  397    HG1  THR  49           1HG      THR  49   9.501   7.239   3.905
  398   1HG2  THR  49          1HG2      THR  49  10.042   9.364   2.963
  399   2HG2  THR  49          2HG2      THR  49   9.258  10.055   4.417
  400   3HG2  THR  49          3HG2      THR  49  10.932  10.472   4.029
  401    H    ASP  50           H        ASP  50  13.866   8.572   5.979
  402    HA   ASP  50           HA       ASP  50  14.715   6.019   6.763
  403   1HB   ASP  50          2HB       ASP  50  15.994   8.047   7.189
  404   2HB   ASP  50          3HB       ASP  50  14.780   8.591   8.367
  405    H    ALA  51           H        ALA  51  12.029   7.914   8.190
  406    HA   ALA  51           HA       ALA  51  11.414   6.238  10.372
  407   1HB   ALA  51          1HB       ALA  51   9.508   7.751   8.525
  408   2HB   ALA  51          2HB       ALA  51   9.133   7.158  10.159
  409   3HB   ALA  51          3HB       ALA  51  10.351   8.419   9.941
  410    H    ASN  52           H        ASN  52  10.709   5.695   6.909
  411    HA   ASN  52           HA       ASN  52   9.094   3.304   7.359
  412   1HB   ASN  52          2HB       ASN  52   8.789   4.908   5.453
  413   2HB   ASN  52          3HB       ASN  52  10.362   4.436   4.817
  414   1HD2  ASN  52          2HD2      ASN  52  10.599   2.016   4.148
  415   2HD2  ASN  52          1HD2      ASN  52   9.057   1.220   3.833
  416    H    ILE  53           H        ILE  53  12.482   4.013   6.510
  417    HA   ILE  53           HA       ILE  53  13.334   1.274   6.128
  418    HB   ILE  53           HB       ILE  53  14.858   3.714   7.013
  419   1HG1  ILE  53          2HG1      ILE  53  14.682   2.382   4.254
  420   2HG1  ILE  53          3HG1      ILE  53  13.740   3.788   4.715
  421   1HG2  ILE  53          1HG2      ILE  53  15.919   1.029   6.006
  422   2HG2  ILE  53          2HG2      ILE  53  16.916   2.474   6.286
  423   3HG2  ILE  53          3HG2      ILE  53  16.129   1.688   7.642
  424   1HD1  ILE  53          1HD1      ILE  53  16.752   3.696   4.399
  425   2HD1  ILE  53          2HD1      ILE  53  15.568   4.561   3.409
  426   3HD1  ILE  53          3HD1      ILE  53  15.860   5.077   5.080
  427    H    LYS  54           H        LYS  54  13.414   3.403   8.995
  428    HA   LYS  54           HA       LYS  54  13.918   1.252  10.917
  429   1HB   LYS  54          2HB       LYS  54  12.799   4.030  11.465
  430   2HB   LYS  54          3HB       LYS  54  13.493   2.890  12.624
  431   1HG   LYS  54          2HG       LYS  54  15.616   3.099  10.950
  432   2HG   LYS  54          3HG       LYS  54  14.845   4.659  10.631
  433   1HD   LYS  54          2HD       LYS  54  14.782   4.842  13.273
  434   2HD   LYS  54          3HD       LYS  54  15.999   3.568  13.209
  435   1HE   LYS  54          2HE       LYS  54  16.131   6.446  12.352
  436   2HE   LYS  54          3HE       LYS  54  17.274   5.527  13.342
  437   1HZ   LYS  54          1HZ       LYS  54  16.886   5.521  10.415
  438   2HZ   LYS  54          2HZ       LYS  54  18.204   5.960  11.163
  439   3HZ   LYS  54          3HZ       LYS  54  17.800   4.343  11.113
  440    H    LYS  55           H        LYS  55  11.462   1.387   8.989
  441    HA   LYS  55           HA       LYS  55   9.732   0.067  11.051
  442   1HB   LYS  55          2HB       LYS  55   8.515   1.868   9.621
  443   2HB   LYS  55          3HB       LYS  55   8.661   0.714   8.303
  444   1HG   LYS  55          2HG       LYS  55   6.617   0.098   9.105
  445   2HG   LYS  55          3HG       LYS  55   7.625  -1.008  10.011
  446   1HD   LYS  55          2HD       LYS  55   6.164   1.455  10.993
  447   2HD   LYS  55          3HD       LYS  55   5.941  -0.209  11.446
  448   1HE   LYS  55          2HE       LYS  55   6.943   0.693  13.309
  449   2HE   LYS  55          3HE       LYS  55   8.288  -0.121  12.506
  450   1HZ   LYS  55          1HZ       LYS  55   7.663   2.779  12.330
  451   2HZ   LYS  55          2HZ       LYS  55   8.871   2.137  13.254
  452   3HZ   LYS  55          3HZ       LYS  55   8.978   2.048  11.634
  453    H    ASN  56           H        ASN  56  10.718  -0.489   7.631
  454    HA   ASN  56           HA       ASN  56  10.965  -2.585   6.548
  455   1HB   ASN  56          2HB       ASN  56  13.017  -2.036   8.224
  456   2HB   ASN  56          3HB       ASN  56  12.484  -3.539   8.944
  457   1HD2  ASN  56          2HD2      ASN  56  12.681  -2.489   5.371
  458   2HD2  ASN  56          1HD2      ASN  56  13.975  -3.661   5.169
  459    H    VAL  57           H        VAL  57   8.467  -2.447   7.719
  460    HA   VAL  57           HA       VAL  57   7.894  -4.812   9.230
  461    HB   VAL  57           HB       VAL  57   6.533  -2.466   8.603
  462   1HG1  VAL  57          1HG1      VAL  57   4.924  -4.681   7.299
  463   2HG1  VAL  57          2HG1      VAL  57   4.377  -3.036   7.671
  464   3HG1  VAL  57          3HG1      VAL  57   5.657  -3.289   6.485
  465   1HG2  VAL  57          1HG2      VAL  57   6.421  -3.795  10.667
  466   2HG2  VAL  57          2HG2      VAL  57   4.807  -3.378  10.084
  467   3HG2  VAL  57          3HG2      VAL  57   5.444  -5.023   9.835
  468    H    LEU  58           H        LEU  58   7.196  -6.839   8.640
  469    HA   LEU  58           HA       LEU  58   7.547  -7.639   5.857
  470   1HB   LEU  58          2HB       LEU  58   8.190  -9.010   7.878
  471   2HB   LEU  58          3HB       LEU  58   6.479  -9.353   8.118
  472    HG   LEU  58           HG       LEU  58   7.996  -9.937   5.516
  473   1HD1  LEU  58          1HD1      LEU  58   7.343 -11.822   7.820
  474   2HD1  LEU  58          2HD1      LEU  58   8.149 -12.256   6.292
  475   3HD1  LEU  58          3HD1      LEU  58   8.957 -11.181   7.443
  476   1HD2  LEU  58          1HD2      LEU  58   5.591  -9.961   5.113
  477   2HD2  LEU  58          2HD2      LEU  58   6.138 -11.630   5.207
  478   3HD2  LEU  58          3HD2      LEU  58   5.304 -10.898   6.595
  479    H    TRP  59           H        TRP  59   6.070  -6.819   4.547
  480    HA   TRP  59           HA       TRP  59   3.379  -6.164   5.150
  481   1HB   TRP  59          2HB       TRP  59   4.764  -6.754   2.528
  482   2HB   TRP  59          3HB       TRP  59   3.145  -6.080   2.615
  483    HD1  TRP  59           HD1      TRP  59   6.300  -4.881   1.721
  484    HE1  TRP  59           HE1      TRP  59   6.612  -2.327   2.236
  485    HE3  TRP  59           HE3      TRP  59   2.437  -4.186   4.971
  486    HZ2  TRP  59           HZ2      TRP  59   5.605  -0.455   4.090
  487    HZ3  TRP  59           HZ3      TRP  59   2.118  -2.057   6.108
  488    HH2  TRP  59           HH2      TRP  59   3.728  -0.142   5.718
  489    H    ASP  60           H        ASP  60   1.958  -7.554   5.815
  490    HA   ASP  60           HA       ASP  60   1.240  -9.970   4.180
  491   1HB   ASP  60          2HB       ASP  60   1.714 -11.046   6.106
  492   2HB   ASP  60          3HB       ASP  60   1.548  -9.609   7.096
  493    H    GLU  61           H        GLU  61  -1.228 -10.467   4.694
  494    HA   GLU  61           HA       GLU  61  -2.605  -8.308   3.251
  495   1HB   GLU  61          2HB       GLU  61  -4.515  -9.704   3.139
  496   2HB   GLU  61          3HB       GLU  61  -3.073 -10.614   2.693
  497   1HG   GLU  61          2HG       GLU  61  -3.125 -11.722   4.938
  498   2HG   GLU  61          3HG       GLU  61  -4.582 -10.801   5.327
  499    H    ASN  62           H        ASN  62  -2.603  -9.456   6.603
  500    HA   ASN  62           HA       ASN  62  -4.591  -7.459   7.439
  501   1HB   ASN  62          2HB       ASN  62  -3.032  -9.641   8.887
  502   2HB   ASN  62          3HB       ASN  62  -4.158  -8.533   9.653
  503   1HD2  ASN  62          2HD2      ASN  62  -3.935 -11.472   7.803
  504   2HD2  ASN  62          1HD2      ASN  62  -5.677 -11.623   7.565
  505    H    ASN  63           H        ASN  63  -1.073  -8.096   7.991
  506    HA   ASN  63           HA       ASN  63  -0.446  -5.760   9.495
  507   1HB   ASN  63          2HB       ASN  63   1.246  -7.412   9.285
  508   2HB   ASN  63          3HB       ASN  63   1.073  -7.473   7.532
  509   1HD2  ASN  63          2HD2      ASN  63   2.438  -5.487  10.137
  510   2HD2  ASN  63          1HD2      ASN  63   3.438  -4.569   9.018
  511    H    MET  64           H        MET  64  -0.506  -6.002   5.860
  512    HA   MET  64           HA       MET  64   0.281  -3.244   5.599
  513   1HB   MET  64          2HB       MET  64   0.370  -5.128   3.818
  514   2HB   MET  64          3HB       MET  64  -1.316  -4.718   3.515
  515   1HG   MET  64          2HG       MET  64  -0.696  -2.433   2.911
  516   2HG   MET  64          3HG       MET  64   0.949  -2.703   3.470
  517   1HE   MET  64          1HE       MET  64  -1.226  -2.501   0.410
  518   2HE   MET  64          2HE       MET  64  -0.835  -3.955  -0.541
  519   3HE   MET  64          3HE       MET  64  -1.718  -4.113   1.002
  520    H    SER  65           H        SER  65  -2.880  -4.782   6.057
  521    HA   SER  65           HA       SER  65  -4.470  -2.449   5.485
  522   1HB   SER  65          2HB       SER  65  -6.301  -3.638   6.201
  523   2HB   SER  65          3HB       SER  65  -5.221  -4.911   5.610
  524    HG   SER  65           HG       SER  65  -4.596  -5.196   7.879
  525    H    GLU  66           H        GLU  66  -3.034  -3.644   8.503
  526    HA   GLU  66           HA       GLU  66  -4.062  -1.763  10.371
  527   1HB   GLU  66          2HB       GLU  66  -2.832  -3.821  10.962
  528   2HB   GLU  66          3HB       GLU  66  -1.372  -3.177  10.218
  529   1HG   GLU  66          2HG       GLU  66  -1.415  -1.273  11.876
  530   2HG   GLU  66          3HG       GLU  66  -2.782  -2.065  12.666
  531    H    TYR  67           H        TYR  67  -0.913  -1.697   8.700
  532    HA   TYR  67           HA       TYR  67  -0.137   0.974   9.079
  533   1HB   TYR  67          2HB       TYR  67   1.375  -0.586   8.062
  534   2HB   TYR  67          3HB       TYR  67   0.250  -0.943   6.767
  535    HD1  TYR  67           HD1      TYR  67   0.747  -0.016   4.654
  536    HD2  TYR  67           HD2      TYR  67   1.878   2.071   8.223
  537    HE1  TYR  67           HE1      TYR  67   1.830   1.751   3.270
  538    HE2  TYR  67           HE2      TYR  67   2.976   3.866   6.838
  539    HH   TYR  67           HH       TYR  67   3.535   3.420   3.492
  540    H    LEU  68           H        LEU  68  -1.940  -0.231   6.194
  541    HA   LEU  68           HA       LEU  68  -2.211   2.233   4.873
  542   1HB   LEU  68          2HB       LEU  68  -3.986  -0.236   4.963
  543   2HB   LEU  68          3HB       LEU  68  -4.381   1.124   3.936
  544    HG   LEU  68           HG       LEU  68  -1.736  -0.332   3.665
  545   1HD1  LEU  68          1HD1      LEU  68  -4.374  -0.686   2.155
  546   2HD1  LEU  68          2HD1      LEU  68  -2.823  -1.407   1.697
  547   3HD1  LEU  68          3HD1      LEU  68  -3.594  -1.891   3.213
  548   1HD2  LEU  68          1HD2      LEU  68  -1.672   1.892   2.749
  549   2HD2  LEU  68          2HD2      LEU  68  -1.786   0.699   1.460
  550   3HD2  LEU  68          3HD2      LEU  68  -3.224   1.644   1.905
  551    H    THR  69           H        THR  69  -4.039   1.100   7.596
  552    HA   THR  69           HA       THR  69  -6.210   3.057   7.365
  553    HB   THR  69           HB       THR  69  -5.611   1.042   9.480
  554    HG1  THR  69           1HG      THR  69  -6.123  -0.147   7.843
  555   1HG2  THR  69          1HG2      THR  69  -8.169   2.586   8.854
  556   2HG2  THR  69          2HG2      THR  69  -8.034   1.227   9.994
  557   3HG2  THR  69          3HG2      THR  69  -7.180   2.737  10.334
  558    H    ASN  70           H        ASN  70  -3.190   2.824   9.142
  559    HA   ASN  70           HA       ASN  70  -3.697   5.535  10.203
  560   1HB   ASN  70          2HB       ASN  70  -3.325   5.087  12.407
  561   2HB   ASN  70          3HB       ASN  70  -4.301   3.716  11.930
  562   1HD2  ASN  70          2HD2      ASN  70  -2.649   1.654  11.137
  563   2HD2  ASN  70          1HD2      ASN  70  -1.462   1.474  12.408
  564    HA   PRO  71           HA       PRO  71   0.396   4.051   8.358
  565   1HB   PRO  71          2HB       PRO  71   0.729   5.621   6.104
  566   2HB   PRO  71          3HB       PRO  71  -0.240   4.122   6.145
  567   1HG   PRO  71          2HG       PRO  71  -1.224   6.975   6.399
  568   2HG   PRO  71          3HG       PRO  71  -1.895   5.650   5.397
  569   1HD   PRO  71          2HD       PRO  71  -2.982   6.280   7.803
  570   2HD   PRO  71          3HD       PRO  71  -2.857   4.592   7.238
  571    H    LYS  72           H        LYS  72  -0.555   7.378   8.427
  572    HA   LYS  72           HA       LYS  72   1.924   8.698   8.850
  573   1HB   LYS  72          2HB       LYS  72  -0.498   9.472   8.178
  574   2HB   LYS  72          3HB       LYS  72  -0.736   9.693   9.908
  575   1HG   LYS  72          2HG       LYS  72   1.065  11.327  10.006
  576   2HG   LYS  72          3HG       LYS  72   1.566  10.972   8.343
  577   1HD   LYS  72          2HD       LYS  72  -1.175  12.081   9.094
  578   2HD   LYS  72          3HD       LYS  72   0.204  13.089   8.615
  579   1HE   LYS  72          2HE       LYS  72   0.311  12.063   6.419
  580   2HE   LYS  72          3HE       LYS  72  -0.875  10.843   6.854
  581   1HZ   LYS  72          1HZ       LYS  72  -1.472  13.722   6.585
  582   2HZ   LYS  72          2HZ       LYS  72  -1.932  12.498   5.585
  583   3HZ   LYS  72          3HZ       LYS  72  -2.542  12.539   7.075
  584    H    LYS  73           H        LYS  73   0.183   6.782  11.103
  585    HA   LYS  73           HA       LYS  73   1.789   7.900  13.378
  586   1HB   LYS  73          2HB       LYS  73  -0.724   7.980  13.633
  587   2HB   LYS  73          3HB       LYS  73  -0.727   6.207  13.579
  588   1HG   LYS  73          2HG       LYS  73   0.819   6.191  15.567
  589   2HG   LYS  73          3HG       LYS  73   0.741   7.961  15.609
  590   1HD   LYS  73          2HD       LYS  73  -1.732   7.790  15.967
  591   2HD   LYS  73          3HD       LYS  73  -1.591   6.027  15.994
  592   1HE   LYS  73          2HE       LYS  73  -0.235   7.981  17.916
  593   2HE   LYS  73          3HE       LYS  73  -1.675   7.024  18.274
  594   1HZ   LYS  73          1HZ       LYS  73   0.994   5.896  17.645
  595   2HZ   LYS  73          2HZ       LYS  73   0.325   5.960  19.144
  596   3HZ   LYS  73          3HZ       LYS  73  -0.344   5.013  17.975
  597    H    TYR  74           H        TYR  74   0.905   4.900  11.674
  598    HA   TYR  74           HA       TYR  74   2.562   3.089  13.118
  599   1HB   TYR  74          2HB       TYR  74   0.780   2.836  11.183
  600   2HB   TYR  74          3HB       TYR  74   2.146   3.063  10.117
  601    HD1  TYR  74           HD1      TYR  74   0.858   1.020  12.969
  602    HD2  TYR  74           HD2      TYR  74   3.451   1.084   9.514
  603    HE1  TYR  74           HE1      TYR  74   1.109  -1.434  13.100
  604    HE2  TYR  74           HE2      TYR  74   3.601  -1.400   9.607
  605    HH   TYR  74           HH       TYR  74   1.573  -3.244  11.798
  606    H    ILE  75           H        ILE  75   3.272   5.339  10.476
  607    HA   ILE  75           HA       ILE  75   6.202   5.080  10.966
  608    HB   ILE  75           HB       ILE  75   4.876   5.480   8.275
  609   1HG1  ILE  75          2HG1      ILE  75   6.201   3.024   9.472
  610   2HG1  ILE  75          3HG1      ILE  75   4.505   3.184   9.004
  611   1HG2  ILE  75          1HG2      ILE  75   7.771   5.001   9.138
  612   2HG2  ILE  75          2HG2      ILE  75   7.236   5.249   7.462
  613   3HG2  ILE  75          3HG2      ILE  75   7.135   6.571   8.614
  614   1HD1  ILE  75          1HD1      ILE  75   6.905   2.967   7.190
  615   2HD1  ILE  75          2HD1      ILE  75   5.502   1.902   7.306
  616   3HD1  ILE  75          3HD1      ILE  75   5.323   3.527   6.605
  617    HA   PRO  76           HA       PRO  76   4.602   9.327  11.849
  618   1HB   PRO  76          2HB       PRO  76   6.190   9.915  13.991
  619   2HB   PRO  76          3HB       PRO  76   4.705   8.924  14.110
  620   1HG   PRO  76          2HG       PRO  76   7.574   7.965  13.907
  621   2HG   PRO  76          3HG       PRO  76   6.298   7.410  15.033
  622   1HD   PRO  76          2HD       PRO  76   6.917   6.085  12.726
  623   2HD   PRO  76          3HD       PRO  76   5.246   6.140  13.357
  624    H    GLY  77           H        GLY  77   5.295  10.496  10.183
  625   1HA   GLY  77          1HA       GLY  77   6.916  12.113   9.270
  626   2HA   GLY  77          2HA       GLY  77   8.224  11.078   9.812
  627    H    THR  78           H        THR  78   5.780   9.084   8.478
  628    HA   THR  78           HA       THR  78   7.230   8.437   6.105
  629    HB   THR  78           HB       THR  78   5.554   6.941   6.975
  630    HG1  THR  78           1HG      THR  78   4.994   6.251   5.071
  631   1HG2  THR  78          1HG2      THR  78   3.374   8.776   5.909
  632   2HG2  THR  78          2HG2      THR  78   3.180   7.207   6.718
  633   3HG2  THR  78          3HG2      THR  78   3.767   8.612   7.623
  634    H    LYS  79           H        LYS  79   7.126   9.027   4.066
  635    HA   LYS  79           HA       LYS  79   6.010  11.576   3.240
  636   1HB   LYS  79          2HB       LYS  79   8.036  10.006   2.338
  637   2HB   LYS  79          3HB       LYS  79   6.806   9.516   1.212
  638   1HG   LYS  79          2HG       LYS  79   6.488  11.990   0.633
  639   2HG   LYS  79          3HG       LYS  79   7.792  12.346   1.775
  640   1HD   LYS  79          2HD       LYS  79   8.916  12.309  -0.275
  641   2HD   LYS  79          3HD       LYS  79   9.245  10.706   0.387
  642   1HE   LYS  79          2HE       LYS  79   6.791  10.488  -1.049
  643   2HE   LYS  79          3HE       LYS  79   7.811  11.511  -2.062
  644   1HZ   LYS  79          1HZ       LYS  79   8.615   8.862  -0.989
  645   2HZ   LYS  79          2HZ       LYS  79   8.046   9.113  -2.527
  646   3HZ   LYS  79          3HZ       LYS  79   9.487   9.730  -2.045
  647    H    MET  80           H        MET  80   4.445   8.549   3.719
  648    HA   MET  80           HA       MET  80   2.395   8.905   1.697
  649   1HB   MET  80          2HB       MET  80   2.985   6.685   2.533
  650   2HB   MET  80          3HB       MET  80   2.450   7.113   4.157
  651   1HG   MET  80          2HG       MET  80   0.251   7.096   3.614
  652   2HG   MET  80          3HG       MET  80   0.505   7.624   1.954
  653   1HE   MET  80          1HE       MET  80  -1.702   5.925   1.620
  654   2HE   MET  80          2HE       MET  80  -1.604   4.189   1.999
  655   3HE   MET  80          3HE       MET  80  -1.522   5.388   3.302
  656    H    ALA  81           H        ALA  81   2.142  11.170   2.155
  657    HA   ALA  81           HA       ALA  81   0.916  12.282   4.388
  658   1HB   ALA  81          1HB       ALA  81   0.653  13.106   1.464
  659   2HB   ALA  81          2HB       ALA  81   0.391  14.165   2.865
  660   3HB   ALA  81          3HB       ALA  81   2.009  13.518   2.538
  661    H    PHE  82           H        PHE  82  -0.503   9.909   3.077
  662    HA   PHE  82           HA       PHE  82  -3.147  10.492   2.214
  663   1HB   PHE  82          2HB       PHE  82  -1.812   8.408   1.861
  664   2HB   PHE  82          3HB       PHE  82  -2.040   7.994   3.556
  665    HD1  PHE  82           HD1      PHE  82  -3.798   6.487   4.048
  666    HD2  PHE  82           HD2      PHE  82  -4.032   8.927   0.494
  667    HE1  PHE  82           HE1      PHE  82  -5.858   5.302   3.367
  668    HE2  PHE  82           HE2      PHE  82  -6.075   7.723  -0.197
  669    HZ   PHE  82           HZ       PHE  82  -6.992   5.914   1.208
  670    H    GLY  83           H        GLY  83  -5.165   9.760   3.244
  671   1HA   GLY  83          1HA       GLY  83  -5.454  11.162   5.820
  672   2HA   GLY  83          2HA       GLY  83  -6.732  10.736   4.695
  673    H    GLY  84           H        GLY  84  -5.938   7.820   4.683
  674   1HA   GLY  84          1HA       GLY  84  -6.091   5.900   6.102
  675   2HA   GLY  84          2HA       GLY  84  -6.455   6.930   7.476
  676    H    LEU  85           H        LEU  85  -7.794   4.777   5.215
  677    HA   LEU  85           HA       LEU  85 -10.485   5.917   5.124
  678   1HB   LEU  85          2HB       LEU  85  -9.384   3.287   4.073
  679   2HB   LEU  85          3HB       LEU  85 -10.983   3.922   3.737
  680    HG   LEU  85           HG       LEU  85  -8.370   5.242   2.907
  681   1HD1  LEU  85          1HD1      LEU  85 -10.436   3.855   1.169
  682   2HD1  LEU  85          2HD1      LEU  85  -8.868   4.520   0.657
  683   3HD1  LEU  85          3HD1      LEU  85  -8.949   3.089   1.694
  684   1HD2  LEU  85          1HD2      LEU  85 -10.159   6.920   3.176
  685   2HD2  LEU  85          2HD2      LEU  85  -9.821   6.660   1.466
  686   3HD2  LEU  85          3HD2      LEU  85 -11.260   5.917   2.198
  687    H    LYS  86           H        LYS  86 -11.239   5.926   7.171
  688    HA   LYS  86           HA       LYS  86 -11.413   3.822   9.076
  689   1HB   LYS  86          2HB       LYS  86 -12.950   6.402   8.641
  690   2HB   LYS  86          3HB       LYS  86 -13.384   5.311   9.949
  691   1HG   LYS  86          2HG       LYS  86 -11.025   5.374  10.782
  692   2HG   LYS  86          3HG       LYS  86 -10.702   6.677   9.616
  693   1HD   LYS  86          2HD       LYS  86 -12.462   8.070  10.666
  694   2HD   LYS  86          3HD       LYS  86 -12.944   6.720  11.697
  695   1HE   LYS  86          2HE       LYS  86 -11.687   8.146  13.086
  696   2HE   LYS  86          3HE       LYS  86 -10.684   6.728  12.762
  697   1HZ   LYS  86          1HZ       LYS  86 -10.442   9.374  11.435
  698   2HZ   LYS  86          2HZ       LYS  86  -9.393   8.750  12.535
  699   3HZ   LYS  86          3HZ       LYS  86  -9.529   8.068  11.049
  700    H    LYS  87           H        LYS  87 -12.402   2.756   6.463
  701    HA   LYS  87           HA       LYS  87 -14.973   1.595   7.459
  702   1HB   LYS  87          2HB       LYS  87 -14.405   2.614   4.656
  703   2HB   LYS  87          3HB       LYS  87 -15.673   1.450   5.002
  704   1HG   LYS  87          2HG       LYS  87 -15.516   4.256   6.188
  705   2HG   LYS  87          3HG       LYS  87 -16.531   3.745   4.836
  706   1HD   LYS  87          2HD       LYS  87 -17.656   2.082   6.388
  707   2HD   LYS  87          3HD       LYS  87 -16.755   2.819   7.731
  708   1HE   LYS  87          2HE       LYS  87 -17.749   5.038   7.135
  709   2HE   LYS  87          3HE       LYS  87 -18.705   4.251   5.873
  710   1HZ   LYS  87          1HZ       LYS  87 -18.886   3.649   8.781
  711   2HZ   LYS  87          2HZ       LYS  87 -19.978   4.522   7.923
  712   3HZ   LYS  87          3HZ       LYS  87 -19.788   2.924   7.615
  713    H    GLU  88           H        GLU  88 -14.217  -0.206   8.190
  714    HA   GLU  88           HA       GLU  88 -12.632  -2.232   7.478
  715   1HB   GLU  88          2HB       GLU  88 -14.215  -2.284   9.264
  716   2HB   GLU  88          3HB       GLU  88 -15.573  -2.193   8.181
  717   1HG   GLU  88          2HG       GLU  88 -13.918  -4.602   7.708
  718   2HG   GLU  88          3HG       GLU  88 -14.453  -4.486   9.375
  719    H    LYS  89           H        LYS  89 -15.836  -2.105   5.811
  720    HA   LYS  89           HA       LYS  89 -15.235  -4.160   4.040
  721   1HB   LYS  89          2HB       LYS  89 -17.282  -1.995   3.495
  722   2HB   LYS  89          3HB       LYS  89 -17.271  -3.692   2.974
  723   1HG   LYS  89          2HG       LYS  89 -16.967  -4.081   5.570
  724   2HG   LYS  89          3HG       LYS  89 -17.801  -2.543   5.709
  725   1HD   LYS  89          2HD       LYS  89 -19.812  -3.543   4.735
  726   2HD   LYS  89          3HD       LYS  89 -18.902  -5.045   4.348
  727   1HE   LYS  89          2HE       LYS  89 -18.268  -5.274   6.744
  728   2HE   LYS  89          3HE       LYS  89 -19.168  -3.836   7.149
  729   1HZ   LYS  89          1HZ       LYS  89 -20.244  -6.410   6.209
  730   2HZ   LYS  89          2HZ       LYS  89 -20.406  -5.734   7.696
  731   3HZ   LYS  89          3HZ       LYS  89 -21.186  -5.057   6.402
  732    H    ASP  90           H        ASP  90 -14.818  -0.783   3.474
  733    HA   ASP  90           HA       ASP  90 -13.963  -0.753   0.699
  734   1HB   ASP  90          2HB       ASP  90 -14.470   1.327   1.879
  735   2HB   ASP  90          3HB       ASP  90 -13.196   1.051   3.038
  736    H    ARG  91           H        ARG  91 -12.150  -0.952   3.699
  737    HA   ARG  91           HA       ARG  91  -9.543  -1.450   2.646
  738   1HB   ARG  91          2HB       ARG  91 -10.612  -2.625   5.251
  739   2HB   ARG  91          3HB       ARG  91  -8.942  -2.361   4.854
  740   1HG   ARG  91          2HG       ARG  91 -10.770   0.064   4.914
  741   2HG   ARG  91          3HG       ARG  91 -10.344  -0.730   6.429
  742   1HD   ARG  91          2HD       ARG  91  -8.822   1.022   6.101
  743   2HD   ARG  91          3HD       ARG  91  -7.944  -0.496   5.852
  744    HE   ARG  91           HE       ARG  91  -8.753   0.293   3.297
  745   1HH1  ARG  91          1HH2      ARG  91  -7.010   1.838   5.820
  746   2HH1  ARG  91          2HH2      ARG  91  -5.901   2.706   4.790
  747   1HH2  ARG  91          1HH1      ARG  91  -7.287   1.252   1.933
  748   2HH2  ARG  91          2HH1      ARG  91  -6.134   2.427   2.519
  749    H    ASN  92           H        ASN  92 -11.970  -3.868   3.656
  750    HA   ASN  92           HA       ASN  92 -10.439  -6.157   2.953
  751   1HB   ASN  92          2HB       ASN  92 -13.424  -5.702   3.237
  752   2HB   ASN  92          3HB       ASN  92 -12.756  -7.246   2.733
  753   1HD2  ASN  92          2HD2      ASN  92 -13.027  -5.027   5.514
  754   2HD2  ASN  92          1HD2      ASN  92 -12.506  -6.314   6.624
  755    H    ASP  93           H        ASP  93 -12.750  -4.306   0.851
  756    HA   ASP  93           HA       ASP  93 -12.252  -5.986  -1.460
  757   1HB   ASP  93          2HB       ASP  93 -13.520  -3.302  -0.969
  758   2HB   ASP  93          3HB       ASP  93 -13.021  -3.703  -2.608
  759    H    LEU  94           H        LEU  94 -10.723  -2.974  -0.359
  760    HA   LEU  94           HA       LEU  94  -8.945  -2.567  -2.542
  761   1HB   LEU  94          2HB       LEU  94  -9.501  -1.178  -0.286
  762   2HB   LEU  94          3HB       LEU  94  -8.026  -1.929   0.255
  763    HG   LEU  94           HG       LEU  94  -7.508   0.233  -0.525
  764   1HD1  LEU  94          1HD1      LEU  94  -6.702  -1.535  -2.860
  765   2HD1  LEU  94          2HD1      LEU  94  -5.938  -0.025  -2.329
  766   3HD1  LEU  94          3HD1      LEU  94  -5.871  -1.465  -1.290
  767   1HD2  LEU  94          1HD2      LEU  94  -9.544   0.638  -1.816
  768   2HD2  LEU  94          2HD2      LEU  94  -8.095   1.150  -2.697
  769   3HD2  LEU  94          3HD2      LEU  94  -8.917  -0.360  -3.149
  770    H    ILE  95           H        ILE  95  -8.402  -4.401   0.475
  771    HA   ILE  95           HA       ILE  95  -5.822  -5.502  -0.080
  772    HB   ILE  95           HB       ILE  95  -8.161  -6.625   1.493
  773   1HG1  ILE  95          2HG1      ILE  95  -5.573  -5.502   2.640
  774   2HG1  ILE  95          3HG1      ILE  95  -6.926  -4.449   2.266
  775   1HG2  ILE  95          1HG2      ILE  95  -5.274  -7.624   1.434
  776   2HG2  ILE  95          2HG2      ILE  95  -6.516  -8.170   2.571
  777   3HG2  ILE  95          3HG2      ILE  95  -6.705  -8.520   0.868
  778   1HD1  ILE  95          1HD1      ILE  95  -6.873  -6.704   4.299
  779   2HD1  ILE  95          2HD1      ILE  95  -7.211  -4.981   4.545
  780   3HD1  ILE  95          3HD1      ILE  95  -8.391  -5.988   3.721
  781    H    THR  96           H        THR  96  -9.064  -6.853  -0.751
  782    HA   THR  96           HA       THR  96  -8.264  -9.213  -2.052
  783    HB   THR  96           HB       THR  96 -10.732  -7.617  -2.861
  784    HG1  THR  96           1HG      THR  96 -10.744  -7.931  -0.612
  785   1HG2  THR  96          1HG2      THR  96 -10.129 -10.611  -2.802
  786   2HG2  THR  96          2HG2      THR  96 -11.682  -9.874  -3.239
  787   3HG2  THR  96          3HG2      THR  96 -10.262  -9.620  -4.267
  788    H    TYR  97           H        TYR  97  -8.646  -5.994  -3.543
  789    HA   TYR  97           HA       TYR  97  -7.882  -6.862  -6.229
  790   1HB   TYR  97          2HB       TYR  97  -9.075  -4.818  -5.971
  791   2HB   TYR  97          3HB       TYR  97  -7.883  -4.160  -4.857
  792    HD1  TYR  97           HD1      TYR  97  -7.793  -5.682  -8.325
  793    HD2  TYR  97           HD2      TYR  97  -6.520  -2.470  -5.745
  794    HE1  TYR  97           HE1      TYR  97  -6.723  -4.553 -10.265
  795    HE2  TYR  97           HE2      TYR  97  -5.398  -1.389  -7.700
  796    HH   TYR  97           HH       TYR  97  -5.124  -2.813 -10.838
  797    H    LEU  98           H        LEU  98  -6.017  -5.058  -3.713
  798    HA   LEU  98           HA       LEU  98  -3.699  -5.014  -5.337
  799   1HB   LEU  98          2HB       LEU  98  -4.530  -4.012  -2.794
  800   2HB   LEU  98          3HB       LEU  98  -3.054  -4.881  -2.470
  801    HG   LEU  98           HG       LEU  98  -3.288  -2.861  -4.750
  802   1HD1  LEU  98          1HD1      LEU  98  -2.301  -2.353  -1.924
  803   2HD1  LEU  98          2HD1      LEU  98  -2.220  -1.221  -3.295
  804   3HD1  LEU  98          3HD1      LEU  98  -3.793  -1.710  -2.651
  805   1HD2  LEU  98          1HD2      LEU  98  -1.342  -4.400  -4.873
  806   2HD2  LEU  98          2HD2      LEU  98  -0.827  -2.763  -4.519
  807   3HD2  LEU  98          3HD2      LEU  98  -0.883  -3.968  -3.215
  808    H    LYS  99           H        LYS  99  -4.700  -7.345  -2.963
  809    HA   LYS  99           HA       LYS  99  -2.504  -9.181  -3.051
  810   1HB   LYS  99          2HB       LYS  99  -4.389  -9.448  -1.521
  811   2HB   LYS  99          3HB       LYS  99  -5.507  -9.696  -2.879
  812   1HG   LYS  99          2HG       LYS  99  -4.340 -11.730  -3.531
  813   2HG   LYS  99          3HG       LYS  99  -3.100 -11.441  -2.295
  814   1HD   LYS  99          2HD       LYS  99  -5.997 -11.730  -1.493
  815   2HD   LYS  99          3HD       LYS  99  -5.075 -13.170  -1.926
  816   1HE   LYS  99          2HE       LYS  99  -4.126 -11.197   0.202
  817   2HE   LYS  99          3HE       LYS  99  -5.159 -12.580   0.538
  818   1HZ   LYS  99          1HZ       LYS  99  -2.364 -12.711  -0.458
  819   2HZ   LYS  99          2HZ       LYS  99  -3.055 -13.366   0.915
  820   3HZ   LYS  99          3HZ       LYS  99  -3.322 -13.925  -0.636
  821    H    LYS 100           H        LYS 100  -5.343  -9.039  -5.258
  822    HA   LYS 100           HA       LYS 100  -4.219 -11.102  -6.971
  823   1HB   LYS 100          2HB       LYS 100  -6.758 -10.064  -6.485
  824   2HB   LYS 100          3HB       LYS 100  -6.456  -9.560  -8.123
  825   1HG   LYS 100          2HG       LYS 100  -6.140 -12.446  -7.121
  826   2HG   LYS 100          3HG       LYS 100  -7.633 -11.782  -7.752
  827   1HD   LYS 100          2HD       LYS 100  -6.882 -12.856  -9.612
  828   2HD   LYS 100          3HD       LYS 100  -6.302 -11.222  -9.905
  829   1HE   LYS 100          2HE       LYS 100  -4.590 -12.769 -10.571
  830   2HE   LYS 100          3HE       LYS 100  -4.018 -11.937  -9.132
  831   1HZ   LYS 100          1HZ       LYS 100  -5.173 -14.676  -9.018
  832   2HZ   LYS 100          2HZ       LYS 100  -3.549 -14.263  -8.992
  833   3HZ   LYS 100          3HZ       LYS 100  -4.401 -13.782  -7.818
  834    H    ALA 101           H        ALA 101  -3.449  -7.948  -6.783
  835    HA   ALA 101           HA       ALA 101  -2.407  -7.765  -9.574
  836   1HB   ALA 101          1HB       ALA 101  -2.156  -5.779  -7.290
  837   2HB   ALA 101          2HB       ALA 101  -1.742  -5.520  -8.998
  838   3HB   ALA 101          3HB       ALA 101  -3.437  -5.761  -8.529
  839    H    THR 102           H        THR 102  -1.376  -9.100  -6.642
  840    HA   THR 102           HA       THR 102   1.499  -9.141  -7.509
  841    HB   THR 102           HB       THR 102   0.339  -9.249  -4.717
  842    HG1  THR 102           1HG      THR 102   0.730  -7.226  -5.649
  843   1HG2  THR 102          1HG2      THR 102   3.180  -9.811  -5.657
  844   2HG2  THR 102          2HG2      THR 102   2.750  -9.392  -3.979
  845   3HG2  THR 102          3HG2      THR 102   2.129 -10.880  -4.706
  846    H    GLU 103           H        GLU 103  -1.211 -11.096  -6.138
  847    HA   GLU 103           HA       GLU 103   0.085 -13.615  -7.062
  848   1HB   GLU 103          2HB       GLU 103  -0.921 -14.711  -5.041
  849   2HB   GLU 103          3HB       GLU 103   0.422 -13.620  -4.706
  850   1HG   GLU 103          2HG       GLU 103  -1.047 -11.904  -3.868
  851   2HG   GLU 103          3HG       GLU 103  -2.478 -12.747  -4.422
  852    HHA  HEC 104           HHA      HEC 104   5.162   3.498   1.203
  853    HHB  HEC 104           HHB      HEC 104  -0.349   0.471  -0.307
  854    HHC  HEC 104           HHC      HEC 104  -3.184   6.211  -1.417
  855    HHD  HEC 104           HHD      HEC 104   2.639   8.949  -1.107
  856   1HMA  HEC 104          1HMA      HEC 104   1.809  -1.001   1.648
  857   2HMA  HEC 104          2HMA      HEC 104   1.212  -1.048  -0.029
  858   3HMA  HEC 104          3HMA      HEC 104   2.931  -1.271   0.295
  859   1HAA  HEC 104          1HAA      HEC 104   4.425  -0.243   1.818
  860   2HAA  HEC 104          2HAA      HEC 104   5.048   1.332   2.284
  861   1HBA  HEC 104          1HBA      HEC 104   6.138   1.570   0.100
  862   2HBA  HEC 104          2HBA      HEC 104   5.422   0.060  -0.454
  863   1HMB  HEC 104          1HMB      HEC 104  -3.682   0.637  -0.304
  864   2HMB  HEC 104          2HMB      HEC 104  -3.619   0.919  -2.056
  865   3HMB  HEC 104          3HMB      HEC 104  -2.272   0.135  -1.243
  866    HAB  HEC 104           HAB      HEC 104  -4.653   4.822  -1.223
  867   1HBB  HEC 104          1HBB      HEC 104  -4.914   3.633   0.905
  868   2HBB  HEC 104          2HBB      HEC 104  -6.366   3.629  -0.116
  869   3HBB  HEC 104          3HBB      HEC 104  -5.371   2.169   0.002
  870   1HMC  HEC 104          1HMC      HEC 104  -3.454   8.479  -1.630
  871   2HMC  HEC 104          2HMC      HEC 104  -2.542   9.822  -2.317
  872   3HMC  HEC 104          3HMC      HEC 104  -2.709   8.304  -3.223
  873    HAC  HEC 104           HAC      HEC 104   1.413  10.107  -2.253
  874   1HBC  HEC 104          1HBC      HEC 104   0.251  11.199  -0.426
  875   2HBC  HEC 104          2HBC      HEC 104   0.295  12.194  -1.895
  876   3HBC  HEC 104          3HBC      HEC 104  -1.204  11.366  -1.431
  877   1HMD  HEC 104          1HMD      HEC 104   5.027   9.334  -0.135
  878   2HMD  HEC 104          2HMD      HEC 104   6.339   8.245  -0.656
  879   3HMD  HEC 104          3HMD      HEC 104   4.973   8.593  -1.722
  880   1HAD  HEC 104          1HAD      HEC 104   6.177   5.413   2.175
  881   2HAD  HEC 104          2HAD      HEC 104   6.267   7.141   1.923
  882   1HBD  HEC 104          1HBD      HEC 104   7.402   6.161  -0.419
  883   2HBD  HEC 104          2HBD      HEC 104   7.916   4.973   0.770
  Start of MODEL    8
    1   1H    THR  -5          H1        THR  -5 -14.091  -9.949  11.703
    2   2H    THR  -5          H2        THR  -5 -14.440  -8.736  10.619
    3   3H    THR  -5          H3        THR  -5 -14.603  -8.478  12.227
    4    HA   THR  -5           HA       THR  -5 -12.652  -7.434  11.204
    5    HB   THR  -5           HB       THR  -5 -11.308  -9.055  13.219
    6    HG1  THR  -5           1HG      THR  -5 -13.129  -9.668  14.081
    7   1HG2  THR  -5          1HG2      THR  -5 -12.419  -6.235  13.258
    8   2HG2  THR  -5          2HG2      THR  -5 -11.243  -6.936  14.391
    9   3HG2  THR  -5          3HG2      THR  -5 -10.799  -6.720  12.687
   10    H    GLU  -4           H        GLU  -4 -12.373 -10.711  11.645
   11    HA   GLU  -4           HA       GLU  -4  -9.967 -11.944  11.199
   12   1HB   GLU  -4          2HB       GLU  -4 -11.449 -13.796  10.562
   13   2HB   GLU  -4          3HB       GLU  -4 -12.025 -12.943  11.979
   14   1HG   GLU  -4          2HG       GLU  -4 -13.188 -12.765   9.171
   15   2HG   GLU  -4          3HG       GLU  -4 -13.892 -13.587  10.553
   16    H    PHE  -3           H        PHE  -3 -10.878  -9.740   9.088
   17    HA   PHE  -3           HA       PHE  -3 -10.966  -9.242   6.907
   18   1HB   PHE  -3          2HB       PHE  -3  -8.650  -9.772   6.769
   19   2HB   PHE  -3          3HB       PHE  -3  -8.969 -11.495   6.647
   20    HD1  PHE  -3           HD1      PHE  -3  -9.298  -8.256   4.810
   21    HD2  PHE  -3           HD2      PHE  -3  -9.378 -12.562   4.570
   22    HE1  PHE  -3           HE1      PHE  -3  -9.288  -8.134   2.319
   23    HE2  PHE  -3           HE2      PHE  -3  -9.333 -12.424   2.095
   24    HZ   PHE  -3           HZ       PHE  -3  -9.293 -10.214   0.972
   25    H    LYS  -2           H        LYS  -2 -11.958  -9.707   4.905
   26    HA   LYS  -2           HA       LYS  -2 -13.377 -12.237   4.603
   27   1HB   LYS  -2          2HB       LYS  -2 -14.737 -10.739   6.236
   28   2HB   LYS  -2          3HB       LYS  -2 -15.162  -9.797   4.804
   29   1HG   LYS  -2          2HG       LYS  -2 -15.924 -12.037   3.747
   30   2HG   LYS  -2          3HG       LYS  -2 -15.616 -12.773   5.325
   31   1HD   LYS  -2          2HD       LYS  -2 -17.916 -12.350   5.352
   32   2HD   LYS  -2          3HD       LYS  -2 -17.242 -11.004   6.292
   33   1HE   LYS  -2          2HE       LYS  -2 -17.291  -9.591   4.208
   34   2HE   LYS  -2          3HE       LYS  -2 -17.964 -10.960   3.316
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.263  -9.479   5.529
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.765  -9.567   3.966
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.859 -10.890   4.929
   38    H    ALA  -1           H        ALA  -1 -12.713 -12.639   2.684
   39    HA   ALA  -1           HA       ALA  -1 -11.894 -11.117   0.612
   40   1HB   ALA  -1          1HB       ALA  -1 -13.431 -13.741   0.411
   41   2HB   ALA  -1          2HB       ALA  -1 -12.340 -13.071  -0.821
   42   3HB   ALA  -1          3HB       ALA  -1 -11.692 -13.561   0.758
   43    H    GLY   1           H        GLY   1 -12.635  -9.694  -0.732
   44   1HA   GLY   1          1HA       GLY   1 -15.574  -9.404  -1.279
   45   2HA   GLY   1          2HA       GLY   1 -14.388  -8.094  -1.303
   46    H    SER   2           H        SER   2 -14.137  -7.441  -3.362
   47    HA   SER   2           HA       SER   2 -13.611  -9.544  -5.457
   48   1HB   SER   2          2HB       SER   2 -15.902  -8.670  -5.693
   49   2HB   SER   2          3HB       SER   2 -15.234  -7.037  -5.873
   50    HG   SER   2           HG       SER   2 -15.176  -9.214  -7.599
   51    H    ALA   3           H        ALA   3 -11.709  -9.360  -6.398
   52    HA   ALA   3           HA       ALA   3  -9.993  -7.135  -6.190
   53   1HB   ALA   3          1HB       ALA   3 -10.102  -9.258  -8.377
   54   2HB   ALA   3          2HB       ALA   3  -8.723  -8.193  -8.027
   55   3HB   ALA   3          3HB       ALA   3  -9.240  -9.388  -6.822
   56    H    LYS   4           H        LYS   4 -12.763  -7.469  -8.276
   57    HA   LYS   4           HA       LYS   4 -11.988  -5.259 -10.050
   58   1HB   LYS   4          2HB       LYS   4 -14.459  -6.969  -9.695
   59   2HB   LYS   4          3HB       LYS   4 -14.603  -5.466 -10.585
   60   1HG   LYS   4          2HG       LYS   4 -12.450  -7.496 -11.290
   61   2HG   LYS   4          3HG       LYS   4 -14.093  -7.674 -11.896
   62   1HD   LYS   4          2HD       LYS   4 -12.457  -5.135 -12.319
   63   2HD   LYS   4          3HD       LYS   4 -12.457  -6.501 -13.448
   64   1HE   LYS   4          2HE       LYS   4 -14.889  -6.322 -13.748
   65   2HE   LYS   4          3HE       LYS   4 -14.969  -4.999 -12.580
   66   1HZ   LYS   4          1HZ       LYS   4 -13.463  -4.881 -15.130
   67   2HZ   LYS   4          2HZ       LYS   4 -14.944  -4.217 -14.883
   68   3HZ   LYS   4          3HZ       LYS   4 -13.647  -3.647 -14.054
   69    H    LYS   5           H        LYS   5 -13.585  -5.532  -7.164
   70    HA   LYS   5           HA       LYS   5 -14.775  -2.786  -7.047
   71   1HB   LYS   5          2HB       LYS   5 -14.472  -5.028  -5.013
   72   2HB   LYS   5          3HB       LYS   5 -14.840  -3.399  -4.489
   73   1HG   LYS   5          2HG       LYS   5 -16.549  -4.762  -6.592
   74   2HG   LYS   5          3HG       LYS   5 -16.758  -5.050  -4.858
   75   1HD   LYS   5          2HD       LYS   5 -16.986  -2.558  -4.501
   76   2HD   LYS   5          3HD       LYS   5 -16.918  -2.331  -6.254
   77   1HE   LYS   5          2HE       LYS   5 -19.233  -2.314  -5.496
   78   2HE   LYS   5          3HE       LYS   5 -18.941  -3.727  -6.522
   79   1HZ   LYS   5          1HZ       LYS   5 -18.998  -3.726  -3.551
   80   2HZ   LYS   5          2HZ       LYS   5 -20.151  -4.398  -4.534
   81   3HZ   LYS   5          3HZ       LYS   5 -18.626  -5.022  -4.453
   82    H    GLY   6           H        GLY   6 -12.154  -4.473  -5.266
   83   1HA   GLY   6          1HA       GLY   6 -10.919  -2.178  -4.211
   84   2HA   GLY   6          2HA       GLY   6 -10.069  -3.657  -4.612
   85    H    ALA   7           H        ALA   7 -10.290  -3.657  -7.470
   86    HA   ALA   7           HA       ALA   7  -8.383  -1.844  -8.378
   87   1HB   ALA   7          1HB       ALA   7 -10.642  -3.156  -9.950
   88   2HB   ALA   7          2HB       ALA   7  -9.201  -2.397 -10.654
   89   3HB   ALA   7          3HB       ALA   7  -9.033  -3.839  -9.649
   90    H    THR   8           H        THR   8 -11.984  -1.420  -8.670
   91    HA   THR   8           HA       THR   8 -11.767   1.219  -9.826
   92    HB   THR   8           HB       THR   8 -14.159   1.507  -9.015
   93    HG1  THR   8           1HG      THR   8 -13.738  -0.493  -7.461
   94   1HG2  THR   8          1HG2      THR   8 -13.521  -0.950 -10.695
   95   2HG2  THR   8          2HG2      THR   8 -15.050  -0.045 -10.682
   96   3HG2  THR   8          3HG2      THR   8 -13.573   0.731 -11.287
   97    H    LEU   9           H        LEU   9 -11.837   0.175  -6.469
   98    HA   LEU   9           HA       LEU   9 -12.275   2.773  -5.283
   99   1HB   LEU   9          2HB       LEU   9 -11.202   0.153  -4.206
  100   2HB   LEU   9          3HB       LEU   9 -11.224   1.619  -3.228
  101    HG   LEU   9           HG       LEU   9 -13.715   0.644  -4.592
  102   1HD1  LEU   9          1HD1      LEU   9 -12.717  -0.080  -1.781
  103   2HD1  LEU   9          2HD1      LEU   9 -14.315  -0.481  -2.445
  104   3HD1  LEU   9          3HD1      LEU   9 -12.865  -1.206  -3.150
  105   1HD2  LEU   9          1HD2      LEU   9 -13.811   2.936  -3.720
  106   2HD2  LEU   9          2HD2      LEU   9 -14.821   1.878  -2.728
  107   3HD2  LEU   9          3HD2      LEU   9 -13.234   2.379  -2.132
  108    H    PHE  10           H        PHE  10  -9.390   0.720  -5.481
  109    HA   PHE  10           HA       PHE  10  -7.293   2.351  -4.718
  110   1HB   PHE  10          2HB       PHE  10  -7.078  -0.001  -5.293
  111   2HB   PHE  10          3HB       PHE  10  -7.494   0.316  -6.969
  112    HD1  PHE  10           HD1      PHE  10  -5.812   0.767  -8.569
  113    HD2  PHE  10           HD2      PHE  10  -4.881   0.891  -4.369
  114    HE1  PHE  10           HE1      PHE  10  -3.380   0.912  -9.102
  115    HE2  PHE  10           HE2      PHE  10  -2.478   1.143  -4.909
  116    HZ   PHE  10           HZ       PHE  10  -1.716   1.151  -7.272
  117    H    LYS  11           H        LYS  11  -8.886   2.352  -7.883
  118    HA   LYS  11           HA       LYS  11  -7.165   4.128  -9.260
  119   1HB   LYS  11          2HB       LYS  11  -9.450   2.654  -9.879
  120   2HB   LYS  11          3HB       LYS  11 -10.045   4.301 -10.013
  121   1HG   LYS  11          2HG       LYS  11  -8.228   4.840 -11.595
  122   2HG   LYS  11          3HG       LYS  11  -7.499   3.248 -11.290
  123   1HD   LYS  11          2HD       LYS  11  -9.474   2.137 -12.292
  124   2HD   LYS  11          3HD       LYS  11 -10.164   3.725 -12.655
  125   1HE   LYS  11          2HE       LYS  11  -9.062   2.812 -14.650
  126   2HE   LYS  11          3HE       LYS  11  -8.246   4.277 -14.095
  127   1HZ   LYS  11          1HZ       LYS  11  -7.307   1.506 -13.568
  128   2HZ   LYS  11          2HZ       LYS  11  -6.630   2.547 -14.642
  129   3HZ   LYS  11          3HZ       LYS  11  -6.570   2.872 -13.044
  130    H    THR  12           H        THR  12  -9.669   4.883  -6.986
  131    HA   THR  12           HA       THR  12  -8.989   7.783  -7.106
  132    HB   THR  12           HB       THR  12 -11.003   7.414  -8.388
  133    HG1  THR  12           1HG      THR  12 -12.097   9.048  -7.468
  134   1HG2  THR  12          1HG2      THR  12 -12.303   6.424  -5.827
  135   2HG2  THR  12          2HG2      THR  12 -13.141   6.847  -7.333
  136   3HG2  THR  12          3HG2      THR  12 -12.020   5.478  -7.299
  137    H    ARG  13           H        ARG  13  -7.915   5.819  -5.463
  138    HA   ARG  13           HA       ARG  13  -8.332   7.182  -2.840
  139   1HB   ARG  13          2HB       ARG  13  -8.084   4.156  -3.175
  140   2HB   ARG  13          3HB       ARG  13  -7.991   5.002  -1.637
  141   1HG   ARG  13          2HG       ARG  13 -10.461   4.957  -3.414
  142   2HG   ARG  13          3HG       ARG  13 -10.152   3.867  -2.072
  143   1HD   ARG  13          2HD       ARG  13 -10.134   5.796  -0.522
  144   2HD   ARG  13          3HD       ARG  13 -10.448   6.892  -1.871
  145    HE   ARG  13           HE       ARG  13 -12.338   5.010  -0.593
  146   1HH1  ARG  13          1HH2      ARG  13 -11.864   7.001  -3.428
  147   2HH1  ARG  13          2HH2      ARG  13 -13.551   7.008  -3.838
  148   1HH2  ARG  13          1HH1      ARG  13 -14.397   4.847  -1.223
  149   2HH2  ARG  13          2HH1      ARG  13 -14.993   5.765  -2.586
  150    H    CYS  14           H        CYS  14  -6.254   5.149  -4.857
  151    HA   CYS  14           HA       CYS  14  -3.855   5.932  -3.252
  152   1HB   CYS  14          2HB       CYS  14  -4.310   3.351  -4.717
  153   2HB   CYS  14          3HB       CYS  14  -3.106   3.675  -3.483
  154    H    LEU  15           H        LEU  15  -5.010   4.883  -6.484
  155    HA   LEU  15           HA       LEU  15  -2.586   4.890  -7.830
  156   1HB   LEU  15          2HB       LEU  15  -4.733   3.902  -8.579
  157   2HB   LEU  15          3HB       LEU  15  -5.343   5.531  -8.908
  158    HG   LEU  15           HG       LEU  15  -3.549   5.819 -10.637
  159   1HD1  LEU  15          1HD1      LEU  15  -3.035   2.844 -10.195
  160   2HD1  LEU  15          2HD1      LEU  15  -2.351   3.853 -11.489
  161   3HD1  LEU  15          3HD1      LEU  15  -1.898   4.148  -9.815
  162   1HD2  LEU  15          1HD2      LEU  15  -5.803   5.075 -11.234
  163   2HD2  LEU  15          2HD2      LEU  15  -4.567   4.386 -12.306
  164   3HD2  LEU  15          3HD2      LEU  15  -5.281   3.371 -11.021
  165    H    GLN  16           H        GLN  16  -4.443   7.700  -6.957
  166    HA   GLN  16           HA       GLN  16  -3.342   9.688  -8.605
  167   1HB   GLN  16          2HB       GLN  16  -3.733  11.248  -6.789
  168   2HB   GLN  16          3HB       GLN  16  -5.104  10.176  -7.052
  169   1HG   GLN  16          2HG       GLN  16  -4.478   8.852  -5.053
  170   2HG   GLN  16          3HG       GLN  16  -3.054   9.870  -4.814
  171   1HE2  GLN  16          2HE2      GLN  16  -3.355  11.662  -3.335
  172   2HE2  GLN  16          1HE2      GLN  16  -5.032  12.200  -3.064
  173    H    CYS  17           H        CYS  17  -1.728   7.952  -5.920
  174    HA   CYS  17           HA       CYS  17   0.737   9.588  -6.380
  175   1HB   CYS  17          2HB       CYS  17  -0.138   7.887  -4.033
  176   2HB   CYS  17          3HB       CYS  17   1.404   8.709  -4.153
  177    H    HIS  18           H        HIS  18  -0.476   6.350  -6.718
  178    HA   HIS  18           HA       HIS  18   2.262   5.142  -6.728
  179   1HB   HIS  18          1HB       HIS  18  -0.524   4.180  -5.975
  180   2HB   HIS  18          2HB       HIS  18   0.763   3.040  -6.309
  181    HD1  HIS  18           HD1      HIS  18   3.130   3.536  -4.825
  182    HD2  HIS  18           HD2      HIS  18  -0.625   4.831  -3.408
  183    HE1  HIS  18           HE1      HIS  18   3.351   3.797  -2.306
  184    H    THR  19           H        THR  19   2.461   3.076  -7.921
  185    HA   THR  19           HA       THR  19   0.770   2.649 -10.318
  186    HB   THR  19           HB       THR  19   2.712   1.949 -11.612
  187    HG1  THR  19           1HG      THR  19   4.612   3.387 -10.588
  188   1HG2  THR  19          1HG2      THR  19   2.885   4.883 -10.839
  189   2HG2  THR  19          2HG2      THR  19   3.380   4.131 -12.373
  190   3HG2  THR  19          3HG2      THR  19   1.668   4.188 -11.933
  191    H    VAL  20           H        VAL  20   1.056   0.454 -11.114
  192    HA   VAL  20           HA       VAL  20   1.658  -1.534  -8.956
  193    HB   VAL  20           HB       VAL  20  -0.707  -0.799  -8.824
  194   1HG1  VAL  20          1HG1      VAL  20  -1.102  -2.149 -11.521
  195   2HG1  VAL  20          2HG1      VAL  20  -2.338  -1.414 -10.485
  196   3HG1  VAL  20          3HG1      VAL  20  -1.127  -0.391 -11.254
  197   1HG2  VAL  20          1HG2      VAL  20  -0.069  -3.016  -8.020
  198   2HG2  VAL  20          2HG2      VAL  20  -1.720  -2.966  -8.648
  199   3HG2  VAL  20          3HG2      VAL  20  -0.431  -3.705  -9.620
  200    H    GLU  21           H        GLU  21   1.354  -0.888 -12.389
  201    HA   GLU  21           HA       GLU  21   1.526  -3.577 -13.279
  202   1HB   GLU  21          2HB       GLU  21   2.690  -1.188 -14.703
  203   2HB   GLU  21          3HB       GLU  21   2.228  -2.724 -15.425
  204   1HG   GLU  21          2HG       GLU  21  -0.132  -2.361 -14.899
  205   2HG   GLU  21          3HG       GLU  21   0.237  -0.853 -14.059
  206    H    LYS  22           H        LYS  22   3.391  -4.568 -14.517
  207    HA   LYS  22           HA       LYS  22   5.345  -5.078 -12.549
  208   1HB   LYS  22          2HB       LYS  22   4.790  -6.186 -15.300
  209   2HB   LYS  22          3HB       LYS  22   5.954  -6.820 -14.142
  210   1HG   LYS  22          2HG       LYS  22   4.006  -6.926 -12.435
  211   2HG   LYS  22          3HG       LYS  22   2.946  -6.652 -13.802
  212   1HD   LYS  22          2HD       LYS  22   4.844  -9.001 -13.365
  213   2HD   LYS  22          3HD       LYS  22   3.067  -9.027 -13.311
  214   1HE   LYS  22          2HE       LYS  22   3.061  -8.213 -15.699
  215   2HE   LYS  22          3HE       LYS  22   4.825  -8.376 -15.712
  216   1HZ   LYS  22          1HZ       LYS  22   2.939 -10.609 -15.182
  217   2HZ   LYS  22          2HZ       LYS  22   3.654 -10.334 -16.639
  218   3HZ   LYS  22          3HZ       LYS  22   4.574 -10.742 -15.336
  219    H    GLY  23           H        GLY  23   6.564  -3.202 -12.407
  220   1HA   GLY  23          1HA       GLY  23   8.787  -2.246 -12.905
  221   2HA   GLY  23          2HA       GLY  23   8.526  -2.611 -14.607
  222    H    GLY  24           H        GLY  24   5.606  -1.532 -13.350
  223   1HA   GLY  24          1HA       GLY  24   5.397   0.862 -14.784
  224   2HA   GLY  24          2HA       GLY  24   4.401   0.408 -13.395
  225    HA   PRO  25           HA       PRO  25   8.169   3.407 -12.785
  226   1HB   PRO  25          2HB       PRO  25   7.280   5.978 -13.295
  227   2HB   PRO  25          3HB       PRO  25   7.979   4.879 -14.522
  228   1HG   PRO  25          2HG       PRO  25   5.047   5.352 -13.899
  229   2HG   PRO  25          3HG       PRO  25   5.848   5.346 -15.505
  230   1HD   PRO  25          2HD       PRO  25   4.544   3.159 -14.599
  231   2HD   PRO  25          3HD       PRO  25   6.108   2.980 -15.456
  232    H    HIS  26           H        HIS  26   8.666   3.912 -10.765
  233    HA   HIS  26           HA       HIS  26   6.807   4.474  -8.644
  234   1HB   HIS  26          2HB       HIS  26   9.696   5.361  -8.798
  235   2HB   HIS  26          3HB       HIS  26   8.735   4.996  -7.362
  236    HD1  HIS  26           HD1      HIS  26   7.794   2.056  -7.986
  237    HD2  HIS  26           HD2      HIS  26  11.606   3.633  -8.813
  238    HE1  HIS  26           HE1      HIS  26   9.445   0.080  -7.944
  239    H    LYS  27           H        LYS  27   6.091   6.395  -7.872
  240    HA   LYS  27           HA       LYS  27   6.363   8.814  -9.629
  241   1HB   LYS  27          2HB       LYS  27   4.459   7.222 -10.157
  242   2HB   LYS  27          3HB       LYS  27   3.822   7.509  -8.559
  243   1HG   LYS  27          2HG       LYS  27   3.681  10.031  -9.310
  244   2HG   LYS  27          3HG       LYS  27   3.986   9.402 -10.937
  245   1HD   LYS  27          2HD       LYS  27   2.006   7.890 -10.703
  246   2HD   LYS  27          3HD       LYS  27   1.733   8.517  -9.068
  247   1HE   LYS  27          2HE       LYS  27   1.524  10.836 -10.091
  248   2HE   LYS  27          3HE       LYS  27   1.537  10.060 -11.684
  249   1HZ   LYS  27          1HZ       LYS  27  -0.434   9.636  -9.501
  250   2HZ   LYS  27          2HZ       LYS  27  -0.735  10.369 -10.922
  251   3HZ   LYS  27          3HZ       LYS  27  -0.428   8.740 -10.873
  252    H    VAL  28           H        VAL  28   3.937   9.315  -7.442
  253    HA   VAL  28           HA       VAL  28   5.514  11.018  -5.653
  254    HB   VAL  28           HB       VAL  28   2.671  10.019  -5.337
  255   1HG1  VAL  28          1HG1      VAL  28   4.079  12.395  -4.074
  256   2HG1  VAL  28          2HG1      VAL  28   2.353  12.004  -3.902
  257   3HG1  VAL  28          3HG1      VAL  28   3.572  10.920  -3.232
  258   1HG2  VAL  28          1HG2      VAL  28   2.810  11.261  -7.441
  259   2HG2  VAL  28          2HG2      VAL  28   1.965  12.223  -6.230
  260   3HG2  VAL  28          3HG2      VAL  28   3.660  12.585  -6.617
  261    H    GLY  29           H        GLY  29   4.197   7.754  -5.612
  262   1HA   GLY  29          1HA       GLY  29   6.095   7.053  -3.429
  263   2HA   GLY  29          2HA       GLY  29   4.450   6.396  -3.427
  264    HA   PRO  30           HA       PRO  30   7.456   3.636  -5.787
  265   1HB   PRO  30          2HB       PRO  30   7.287   1.377  -4.227
  266   2HB   PRO  30          3HB       PRO  30   8.355   2.765  -3.863
  267   1HG   PRO  30          2HG       PRO  30   5.594   2.164  -2.757
  268   2HG   PRO  30          3HG       PRO  30   7.093   2.597  -1.864
  269   1HD   PRO  30          2HD       PRO  30   5.221   4.465  -2.479
  270   2HD   PRO  30          3HD       PRO  30   6.945   4.848  -2.499
  271    H    ASN  31           H        ASN  31   6.973   1.059  -6.253
  272    HA   ASN  31           HA       ASN  31   4.369   0.942  -7.665
  273   1HB   ASN  31          2HB       ASN  31   6.597   0.329  -8.773
  274   2HB   ASN  31          3HB       ASN  31   6.691  -1.036  -7.647
  275   1HD2  ASN  31          2HD2      ASN  31   5.566   0.032 -10.682
  276   2HD2  ASN  31          1HD2      ASN  31   4.555  -1.392 -10.978
  277    H    LEU  32           H        LEU  32   2.906  -0.833  -7.170
  278    HA   LEU  32           HA       LEU  32   3.229  -2.048  -4.464
  279   1HB   LEU  32          2HB       LEU  32   0.766  -0.856  -5.763
  280   2HB   LEU  32          3HB       LEU  32   0.821  -1.656  -4.196
  281    HG   LEU  32           HG       LEU  32   2.199   0.957  -4.851
  282   1HD1  LEU  32          1HD1      LEU  32  -0.268   0.176  -3.229
  283   2HD1  LEU  32          2HD1      LEU  32   0.466   1.778  -3.185
  284   3HD1  LEU  32          3HD1      LEU  32  -0.207   1.163  -4.710
  285   1HD2  LEU  32          1HD2      LEU  32   3.489  -0.249  -3.125
  286   2HD2  LEU  32          2HD2      LEU  32   2.596   1.082  -2.386
  287   3HD2  LEU  32          3HD2      LEU  32   1.997  -0.584  -2.226
  288    H    HIS  33           H        HIS  33   3.360  -3.429  -7.364
  289    HA   HIS  33           HA       HIS  33   1.871  -5.826  -6.460
  290   1HB   HIS  33          2HB       HIS  33   2.233  -6.862  -8.396
  291   2HB   HIS  33          3HB       HIS  33   1.899  -5.257  -8.992
  292    HD1  HIS  33           HD1      HIS  33   4.668  -3.925  -9.236
  293    HD2  HIS  33           HD2      HIS  33   4.021  -8.059  -9.711
  294    HE1  HIS  33           HE1      HIS  33   6.602  -4.847 -10.667
  295    H    GLY  34           H        GLY  34   3.169  -7.544  -6.068
  296   1HA   GLY  34          1HA       GLY  34   5.022  -8.804  -5.292
  297   2HA   GLY  34          2HA       GLY  34   6.075  -7.570  -5.967
  298    H    ILE  35           H        ILE  35   4.067  -5.928  -3.829
  299    HA   ILE  35           HA       ILE  35   6.189  -5.628  -1.900
  300    HB   ILE  35           HB       ILE  35   4.743  -4.086  -0.716
  301   1HG1  ILE  35          2HG1      ILE  35   2.538  -3.463  -2.104
  302   2HG1  ILE  35          3HG1      ILE  35   2.525  -5.184  -2.461
  303   1HG2  ILE  35          1HG2      ILE  35   4.687  -3.681  -3.734
  304   2HG2  ILE  35          2HG2      ILE  35   4.624  -2.424  -2.472
  305   3HG2  ILE  35          3HG2      ILE  35   6.073  -3.400  -2.660
  306   1HD1  ILE  35          1HD1      ILE  35   2.570  -3.910   0.322
  307   2HD1  ILE  35          2HD1      ILE  35   1.150  -4.599  -0.487
  308   3HD1  ILE  35          3HD1      ILE  35   2.480  -5.653   0.009
  309    H    PHE  36           H        PHE  36   3.418  -7.735  -1.914
  310    HA   PHE  36           HA       PHE  36   3.207  -8.227   0.890
  311   1HB   PHE  36          2HB       PHE  36   2.272  -9.730  -1.578
  312   2HB   PHE  36          3HB       PHE  36   2.014 -10.329   0.057
  313    HD1  PHE  36           HD1      PHE  36   0.891  -7.890  -2.427
  314    HD2  PHE  36           HD2      PHE  36   0.739  -8.975   1.743
  315    HE1  PHE  36           HE1      PHE  36  -1.025  -6.359  -2.098
  316    HE2  PHE  36           HE2      PHE  36  -1.173  -7.451   2.077
  317    HZ   PHE  36           HZ       PHE  36  -2.092  -6.167   0.171
  318    H    GLY  37           H        GLY  37   4.076  -9.632   2.095
  319   1HA   GLY  37          1HA       GLY  37   5.736 -11.051   3.023
  320   2HA   GLY  37          2HA       GLY  37   5.969 -11.756   1.429
  321    H    ARG  38           H        ARG  38   6.487  -8.642   0.745
  322    HA   ARG  38           HA       ARG  38   9.380  -8.606   1.317
  323   1HB   ARG  38          2HB       ARG  38   7.980  -7.726  -0.894
  324   2HB   ARG  38          3HB       ARG  38   7.962  -6.259   0.069
  325   1HG   ARG  38          2HG       ARG  38   9.835  -6.021  -1.298
  326   2HG   ARG  38          3HG       ARG  38  10.512  -6.509   0.257
  327   1HD   ARG  38          2HD       ARG  38  10.460  -8.917  -0.668
  328   2HD   ARG  38          3HD       ARG  38  10.108  -8.188  -2.243
  329    HE   ARG  38           HE       ARG  38  12.494  -7.259  -0.682
  330   1HH1  ARG  38          1HH2      ARG  38  11.489  -8.826  -3.649
  331   2HH1  ARG  38          2HH2      ARG  38  13.034  -8.538  -4.391
  332   1HH2  ARG  38          1HH1      ARG  38  14.281  -6.956  -1.564
  333   2HH2  ARG  38          2HH1      ARG  38  14.664  -7.504  -3.189
  334    H    HIS  39           H        HIS  39   9.970  -6.146   1.944
  335    HA   HIS  39           HA       HIS  39   8.626  -5.718   4.564
  336   1HB   HIS  39          2HB       HIS  39  11.578  -5.819   3.974
  337   2HB   HIS  39          3HB       HIS  39  10.859  -5.212   5.463
  338    HD1  HIS  39           HD1      HIS  39  10.525  -8.628   3.522
  339    HD2  HIS  39           HD2      HIS  39  10.671  -6.867   7.329
  340    HE1  HIS  39           HE1      HIS  39  10.408 -10.540   5.181
  341    H    SER  40           H        SER  40   8.107  -3.634   4.973
  342    HA   SER  40           HA       SER  40   7.796  -1.748   3.088
  343   1HB   SER  40          2HB       SER  40   7.502  -0.104   4.914
  344   2HB   SER  40          3HB       SER  40   6.836  -1.686   5.387
  345    HG   SER  40           HG       SER  40   9.439  -0.747   5.995
  346    H    GLY  41           H        GLY  41   9.054  -0.516   1.854
  347   1HA   GLY  41          1HA       GLY  41  10.861   1.100   1.487
  348   2HA   GLY  41          2HA       GLY  41  11.741   0.452   2.849
  349    H    GLN  42           H        GLN  42  10.418  -1.610   0.284
  350    HA   GLN  42           HA       GLN  42  13.192  -2.027  -0.760
  351   1HB   GLN  42          2HB       GLN  42  11.155  -4.131   0.025
  352   2HB   GLN  42          3HB       GLN  42  12.547  -4.457  -1.006
  353   1HG   GLN  42          2HG       GLN  42  13.992  -3.398   0.843
  354   2HG   GLN  42          3HG       GLN  42  12.589  -3.560   1.890
  355   1HE2  GLN  42          2HE2      GLN  42  13.636  -5.163   3.305
  356   2HE2  GLN  42          1HE2      GLN  42  13.997  -6.761   2.662
  357    H    ALA  43           H        ALA  43  10.773  -0.468  -1.975
  358    HA   ALA  43           HA       ALA  43  10.731  -1.707  -4.633
  359   1HB   ALA  43          1HB       ALA  43  10.153   1.160  -3.802
  360   2HB   ALA  43          2HB       ALA  43   9.868   0.445  -5.399
  361   3HB   ALA  43          3HB       ALA  43   8.963  -0.158  -3.996
  362    H    GLU  44           H        GLU  44  12.427  -1.910  -5.772
  363    HA   GLU  44           HA       GLU  44  14.830  -1.850  -4.737
  364   1HB   GLU  44          2HB       GLU  44  14.180  -1.833  -7.701
  365   2HB   GLU  44          3HB       GLU  44  15.674  -2.476  -6.995
  366   1HG   GLU  44          2HG       GLU  44  14.430  -4.190  -5.777
  367   2HG   GLU  44          3HG       GLU  44  12.883  -3.507  -6.275
  368    H    GLY  45           H        GLY  45  14.062   0.532  -7.290
  369   1HA   GLY  45          1HA       GLY  45  16.763   1.750  -6.948
  370   2HA   GLY  45          2HA       GLY  45  15.683   1.962  -8.323
  371    H    TYR  46           H        TYR  46  14.325   2.351  -5.106
  372    HA   TYR  46           HA       TYR  46  14.013   5.284  -5.650
  373   1HB   TYR  46          2HB       TYR  46  12.230   3.878  -6.552
  374   2HB   TYR  46          3HB       TYR  46  11.870   3.282  -4.945
  375    HD1  TYR  46           HD1      TYR  46  11.433   6.006  -7.340
  376    HD2  TYR  46           HD2      TYR  46  11.172   4.953  -3.194
  377    HE1  TYR  46           HE1      TYR  46   9.684   7.762  -7.028
  378    HE2  TYR  46           HE2      TYR  46   9.365   6.698  -2.866
  379    HH   TYR  46           HH       TYR  46   8.135   8.654  -5.599
  380    H    SER  47           H        SER  47  14.275   6.610  -4.038
  381    HA   SER  47           HA       SER  47  15.081   5.565  -1.432
  382   1HB   SER  47          2HB       SER  47  15.101   8.370  -2.588
  383   2HB   SER  47          3HB       SER  47  15.703   7.930  -0.972
  384    HG   SER  47           HG       SER  47  17.398   7.826  -2.459
  385    H    TYR  48           H        TYR  48  13.465   4.989  -0.200
  386    HA   TYR  48           HA       TYR  48  11.046   6.392   0.431
  387   1HB   TYR  48          2HB       TYR  48  12.646   4.206   1.800
  388   2HB   TYR  48          3HB       TYR  48  11.082   4.759   2.380
  389    HD1  TYR  48           HD1      TYR  48   9.060   4.056   1.582
  390    HD2  TYR  48           HD2      TYR  48  12.675   3.107  -0.609
  391    HE1  TYR  48           HE1      TYR  48   7.890   2.220   0.425
  392    HE2  TYR  48           HE2      TYR  48  11.459   1.382  -1.855
  393    HH   TYR  48           HH       TYR  48   8.437   0.196  -0.605
  394    H    THR  49           H        THR  49  11.568   6.088   3.429
  395    HA   THR  49           HA       THR  49  13.293   8.413   4.089
  396    HB   THR  49           HB       THR  49  11.608   8.859   5.933
  397    HG1  THR  49           1HG      THR  49   9.732   7.476   4.345
  398   1HG2  THR  49          1HG2      THR  49  10.728   9.170   3.050
  399   2HG2  THR  49          2HG2      THR  49   9.986  10.024   4.419
  400   3HG2  THR  49          3HG2      THR  49  11.688  10.314   4.007
  401    H    ASP  50           H        ASP  50  14.120   8.328   6.273
  402    HA   ASP  50           HA       ASP  50  15.104   5.808   7.062
  403   1HB   ASP  50          2HB       ASP  50  16.049   8.049   7.618
  404   2HB   ASP  50          3HB       ASP  50  14.731   8.291   8.779
  405    H    ALA  51           H        ALA  51  12.325   7.624   8.371
  406    HA   ALA  51           HA       ALA  51  11.526   5.907  10.434
  407   1HB   ALA  51          1HB       ALA  51   9.806   7.623   8.588
  408   2HB   ALA  51          2HB       ALA  51   9.324   7.000  10.181
  409   3HB   ALA  51          3HB       ALA  51  10.639   8.179  10.059
  410    H    ASN  52           H        ASN  52  10.636   5.683   6.964
  411    HA   ASN  52           HA       ASN  52   8.971   3.309   7.256
  412   1HB   ASN  52          2HB       ASN  52   8.674   4.873   5.405
  413   2HB   ASN  52          3HB       ASN  52  10.339   4.639   4.869
  414   1HD2  ASN  52          2HD2      ASN  52  10.896   2.625   3.744
  415   2HD2  ASN  52          1HD2      ASN  52   9.572   1.574   3.256
  416    H    ILE  53           H        ILE  53  12.384   3.828   6.315
  417    HA   ILE  53           HA       ILE  53  12.926   1.071   5.656
  418    HB   ILE  53           HB       ILE  53  14.696   3.368   6.465
  419   1HG1  ILE  53          2HG1      ILE  53  14.351   2.063   3.706
  420   2HG1  ILE  53          3HG1      ILE  53  13.344   3.398   4.228
  421   1HG2  ILE  53          1HG2      ILE  53  15.539   0.638   5.359
  422   2HG2  ILE  53          2HG2      ILE  53  16.622   2.036   5.524
  423   3HG2  ILE  53          3HG2      ILE  53  15.945   1.295   6.961
  424   1HD1  ILE  53          1HD1      ILE  53  16.352   3.499   3.822
  425   2HD1  ILE  53          2HD1      ILE  53  15.091   4.301   2.873
  426   3HD1  ILE  53          3HD1      ILE  53  15.392   4.812   4.545
  427    H    LYS  54           H        LYS  54  13.744   2.926   8.656
  428    HA   LYS  54           HA       LYS  54  14.469   0.547  10.166
  429   1HB   LYS  54          2HB       LYS  54  13.725   3.360  11.069
  430   2HB   LYS  54          3HB       LYS  54  14.379   2.085  12.115
  431   1HG   LYS  54          2HG       LYS  54  16.383   1.927  10.575
  432   2HG   LYS  54          3HG       LYS  54  15.769   3.357   9.724
  433   1HD   LYS  54          2HD       LYS  54  15.782   4.602  11.887
  434   2HD   LYS  54          3HD       LYS  54  16.557   3.212  12.673
  435   1HE   LYS  54          2HE       LYS  54  18.595   3.567  11.620
  436   2HE   LYS  54          3HE       LYS  54  17.809   4.110  10.124
  437   1HZ   LYS  54          1HZ       LYS  54  18.052   5.819  12.523
  438   2HZ   LYS  54          2HZ       LYS  54  18.848   5.981  11.053
  439   3HZ   LYS  54          3HZ       LYS  54  17.250   6.144  11.118
  440    H    LYS  55           H        LYS  55  11.544   1.222   8.984
  441    HA   LYS  55           HA       LYS  55  10.041  -0.002  11.259
  442   1HB   LYS  55          2HB       LYS  55   9.094   1.697   9.368
  443   2HB   LYS  55          3HB       LYS  55   8.864   0.195   8.502
  444   1HG   LYS  55          2HG       LYS  55   6.846   0.354   9.520
  445   2HG   LYS  55          3HG       LYS  55   7.677  -0.602  10.746
  446   1HD   LYS  55          2HD       LYS  55   7.404   2.441  10.784
  447   2HD   LYS  55          3HD       LYS  55   6.291   1.324  11.590
  448   1HE   LYS  55          2HE       LYS  55   8.229   0.495  12.960
  449   2HE   LYS  55          3HE       LYS  55   9.227   1.758  12.210
  450   1HZ   LYS  55          1HZ       LYS  55   6.754   2.226  13.789
  451   2HZ   LYS  55          2HZ       LYS  55   8.296   2.553  14.286
  452   3HZ   LYS  55          3HZ       LYS  55   7.618   3.397  13.040
  453    H    ASN  56           H        ASN  56  11.306  -0.894   8.101
  454    HA   ASN  56           HA       ASN  56  10.793  -2.732   6.806
  455   1HB   ASN  56          2HB       ASN  56  13.058  -3.117   8.605
  456   2HB   ASN  56          3HB       ASN  56  12.403  -4.658   8.073
  457   1HD2  ASN  56          2HD2      ASN  56  13.354  -1.455   6.736
  458   2HD2  ASN  56          1HD2      ASN  56  13.834  -2.174   5.185
  459    H    VAL  57           H        VAL  57   8.579  -2.590   7.522
  460    HA   VAL  57           HA       VAL  57   7.509  -4.814   9.123
  461    HB   VAL  57           HB       VAL  57   6.551  -2.255   8.043
  462   1HG1  VAL  57          1HG1      VAL  57   4.627  -4.590   7.881
  463   2HG1  VAL  57          2HG1      VAL  57   4.145  -2.880   7.996
  464   3HG1  VAL  57          3HG1      VAL  57   5.062  -3.438   6.606
  465   1HG2  VAL  57          1HG2      VAL  57   6.878  -2.847  10.427
  466   2HG2  VAL  57          2HG2      VAL  57   5.226  -2.325  10.051
  467   3HG2  VAL  57          3HG2      VAL  57   5.571  -4.045  10.296
  468    H    LEU  58           H        LEU  58   7.354  -6.697   8.406
  469    HA   LEU  58           HA       LEU  58   7.326  -7.513   5.641
  470   1HB   LEU  58          2HB       LEU  58   8.031  -8.884   7.665
  471   2HB   LEU  58          3HB       LEU  58   6.325  -9.146   8.001
  472    HG   LEU  58           HG       LEU  58   7.632  -9.837   5.316
  473   1HD1  LEU  58          1HD1      LEU  58   7.126 -11.672   7.689
  474   2HD1  LEU  58          2HD1      LEU  58   7.808 -12.135   6.111
  475   3HD1  LEU  58          3HD1      LEU  58   8.722 -11.066   7.191
  476   1HD2  LEU  58          1HD2      LEU  58   5.215  -9.806   5.094
  477   2HD2  LEU  58          2HD2      LEU  58   5.691 -11.499   5.239
  478   3HD2  LEU  58          3HD2      LEU  58   5.000 -10.658   6.635
  479    H    TRP  59           H        TRP  59   5.788  -6.860   4.384
  480    HA   TRP  59           HA       TRP  59   3.149  -6.098   5.172
  481   1HB   TRP  59          2HB       TRP  59   4.316  -6.709   2.443
  482   2HB   TRP  59          3HB       TRP  59   2.730  -5.999   2.695
  483    HD1  TRP  59           HD1      TRP  59   5.969  -4.861   1.679
  484    HE1  TRP  59           HE1      TRP  59   6.111  -2.408   1.854
  485    HE3  TRP  59           HE3      TRP  59   2.247  -4.098   5.134
  486    HZ2  TRP  59           HZ2      TRP  59   5.249  -0.357   3.743
  487    HZ3  TRP  59           HZ3      TRP  59   1.957  -1.859   6.139
  488    HH2  TRP  59           HH2      TRP  59   3.454   0.031   5.485
  489    H    ASP  60           H        ASP  60   2.272  -7.855   6.297
  490    HA   ASP  60           HA       ASP  60   1.155 -10.153   4.813
  491   1HB   ASP  60          2HB       ASP  60   0.074  -8.930   7.371
  492   2HB   ASP  60          3HB       ASP  60  -0.140 -10.580   6.802
  493    H    GLU  61           H        GLU  61  -1.346 -10.340   4.605
  494    HA   GLU  61           HA       GLU  61  -2.765  -8.052   3.587
  495   1HB   GLU  61          2HB       GLU  61  -3.841 -10.587   4.882
  496   2HB   GLU  61          3HB       GLU  61  -4.837  -9.318   4.157
  497   1HG   GLU  61          2HG       GLU  61  -3.441  -9.691   2.008
  498   2HG   GLU  61          3HG       GLU  61  -2.920 -11.197   2.757
  499    H    ASN  62           H        ASN  62  -2.861  -9.471   6.913
  500    HA   ASN  62           HA       ASN  62  -4.440  -7.479   8.111
  501   1HB   ASN  62          2HB       ASN  62  -2.220  -9.274   9.198
  502   2HB   ASN  62          3HB       ASN  62  -3.226  -8.254  10.218
  503   1HD2  ASN  62          2HD2      ASN  62  -5.722  -8.629  10.019
  504   2HD2  ASN  62          1HD2      ASN  62  -6.099 -10.333   9.734
  505    H    ASN  63           H        ASN  63  -0.851  -7.587   8.055
  506    HA   ASN  63           HA       ASN  63  -0.416  -5.259   9.590
  507   1HB   ASN  63          2HB       ASN  63   1.136  -7.199   8.943
  508   2HB   ASN  63          3HB       ASN  63   1.453  -6.346   7.431
  509   1HD2  ASN  63          2HD2      ASN  63   3.376  -7.077   9.415
  510   2HD2  ASN  63          1HD2      ASN  63   3.996  -5.557  10.084
  511    H    MET  64           H        MET  64  -0.507  -5.553   5.978
  512    HA   MET  64           HA       MET  64  -0.073  -2.728   5.610
  513   1HB   MET  64          2HB       MET  64   0.230  -4.639   3.879
  514   2HB   MET  64          3HB       MET  64  -1.496  -4.502   3.615
  515   1HG   MET  64          2HG       MET  64  -0.022  -1.905   3.612
  516   2HG   MET  64          3HG       MET  64   0.487  -3.027   2.363
  517   1HE   MET  64          1HE       MET  64  -1.202  -4.386   1.024
  518   2HE   MET  64          2HE       MET  64  -2.405  -3.507   0.044
  519   3HE   MET  64          3HE       MET  64  -0.683  -3.043  -0.011
  520    H    SER  65           H        SER  65  -3.045  -4.613   6.157
  521    HA   SER  65           HA       SER  65  -4.928  -2.526   5.653
  522   1HB   SER  65          2HB       SER  65  -5.035  -5.154   6.701
  523   2HB   SER  65          3HB       SER  65  -5.628  -4.130   8.013
  524    HG   SER  65           HG       SER  65  -6.651  -4.640   5.490
  525    H    GLU  66           H        GLU  66  -3.150  -3.312   8.668
  526    HA   GLU  66           HA       GLU  66  -4.433  -1.097  10.024
  527   1HB   GLU  66          2HB       GLU  66  -3.288  -3.497  10.832
  528   2HB   GLU  66          3HB       GLU  66  -2.086  -2.327  11.370
  529   1HG   GLU  66          2HG       GLU  66  -3.830  -2.814  13.096
  530   2HG   GLU  66          3HG       GLU  66  -3.804  -1.120  12.632
  531    H    TYR  67           H        TYR  67  -1.335  -1.389   8.425
  532    HA   TYR  67           HA       TYR  67  -0.380   1.301   8.999
  533   1HB   TYR  67          2HB       TYR  67   1.007  -0.354   7.841
  534   2HB   TYR  67          3HB       TYR  67  -0.155  -0.478   6.534
  535    HD1  TYR  67           HD1      TYR  67   0.455   0.620   4.522
  536    HD2  TYR  67           HD2      TYR  67   1.754   2.186   8.303
  537    HE1  TYR  67           HE1      TYR  67   1.711   2.393   3.334
  538    HE2  TYR  67           HE2      TYR  67   2.953   4.058   7.101
  539    HH   TYR  67           HH       TYR  67   2.990   4.240   3.572
  540    H    LEU  68           H        LEU  68  -2.687   0.048   6.473
  541    HA   LEU  68           HA       LEU  68  -3.372   2.678   5.556
  542   1HB   LEU  68          2HB       LEU  68  -4.826   0.023   5.381
  543   2HB   LEU  68          3HB       LEU  68  -5.463   1.498   4.684
  544    HG   LEU  68           HG       LEU  68  -2.791   0.263   3.914
  545   1HD1  LEU  68          1HD1      LEU  68  -5.508   0.243   2.519
  546   2HD1  LEU  68          2HD1      LEU  68  -3.993  -0.402   1.860
  547   3HD1  LEU  68          3HD1      LEU  68  -4.708  -1.154   3.287
  548   1HD2  LEU  68          1HD2      LEU  68  -2.856   2.689   3.485
  549   2HD2  LEU  68          2HD2      LEU  68  -2.949   1.779   1.986
  550   3HD2  LEU  68          3HD2      LEU  68  -4.425   2.516   2.663
  551    H    THR  69           H        THR  69  -4.429   1.108   8.519
  552    HA   THR  69           HA       THR  69  -6.785   2.703   8.913
  553    HB   THR  69           HB       THR  69  -4.948   1.500  10.927
  554    HG1  THR  69           1HG      THR  69  -6.430  -0.072  10.900
  555   1HG2  THR  69          1HG2      THR  69  -7.730   2.671  11.299
  556   2HG2  THR  69          2HG2      THR  69  -6.889   1.638  12.478
  557   3HG2  THR  69          3HG2      THR  69  -6.241   3.243  12.102
  558    H    ASN  70           H        ASN  70  -3.382   3.382   9.712
  559    HA   ASN  70           HA       ASN  70  -3.840   6.187   9.310
  560   1HB   ASN  70          2HB       ASN  70  -4.683   5.899  11.683
  561   2HB   ASN  70          3HB       ASN  70  -3.034   5.500  12.155
  562   1HD2  ASN  70          2HD2      ASN  70  -5.043   7.963  12.466
  563   2HD2  ASN  70          1HD2      ASN  70  -3.948   9.287  12.059
  564    HA   PRO  71           HA       PRO  71   0.210   4.296   8.254
  565   1HB   PRO  71          2HB       PRO  71   0.831   5.808   6.030
  566   2HB   PRO  71          3HB       PRO  71  -0.328   4.443   6.004
  567   1HG   PRO  71          2HG       PRO  71  -0.952   7.399   6.303
  568   2HG   PRO  71          3HG       PRO  71  -1.690   6.226   5.184
  569   1HD   PRO  71          2HD       PRO  71  -2.892   6.842   7.505
  570   2HD   PRO  71          3HD       PRO  71  -2.880   5.144   6.937
  571    H    LYS  72           H        LYS  72  -0.491   7.690   8.442
  572    HA   LYS  72           HA       LYS  72   2.199   8.672   8.826
  573   1HB   LYS  72          2HB       LYS  72   0.087   9.820   7.893
  574   2HB   LYS  72          3HB       LYS  72  -0.410  10.058   9.572
  575   1HG   LYS  72          2HG       LYS  72   1.584  11.416  10.004
  576   2HG   LYS  72          3HG       LYS  72   2.242  11.050   8.400
  577   1HD   LYS  72          2HD       LYS  72  -0.421  12.457   8.857
  578   2HD   LYS  72          3HD       LYS  72   1.105  13.319   8.639
  579   1HE   LYS  72          2HE       LYS  72   1.150  13.024   6.412
  580   2HE   LYS  72          3HE       LYS  72   0.708  11.318   6.515
  581   1HZ   LYS  72          1HZ       LYS  72  -1.326  13.449   6.850
  582   2HZ   LYS  72          2HZ       LYS  72  -0.972  12.804   5.382
  583   3HZ   LYS  72          3HZ       LYS  72  -1.555  11.835   6.507
  584    H    LYS  73           H        LYS  73  -0.242   7.534  11.077
  585    HA   LYS  73           HA       LYS  73   1.421   8.289  13.403
  586   1HB   LYS  73          2HB       LYS  73  -1.087   8.346  13.398
  587   2HB   LYS  73          3HB       LYS  73  -1.114   6.583  13.366
  588   1HG   LYS  73          2HG       LYS  73   0.411   8.126  15.497
  589   2HG   LYS  73          3HG       LYS  73  -1.326   7.937  15.626
  590   1HD   LYS  73          2HD       LYS  73  -1.273   5.731  16.142
  591   2HD   LYS  73          3HD       LYS  73   0.129   5.369  15.160
  592   1HE   LYS  73          2HE       LYS  73   0.182   6.786  17.862
  593   2HE   LYS  73          3HE       LYS  73   0.581   5.089  17.563
  594   1HZ   LYS  73          1HZ       LYS  73   2.067   7.457  16.594
  595   2HZ   LYS  73          2HZ       LYS  73   2.631   6.264  17.578
  596   3HZ   LYS  73          3HZ       LYS  73   2.319   5.984  15.968
  597    H    TYR  74           H        TYR  74   0.763   5.274  11.537
  598    HA   TYR  74           HA       TYR  74   2.233   3.492  13.197
  599   1HB   TYR  74          2HB       TYR  74   0.573   3.134  11.257
  600   2HB   TYR  74          3HB       TYR  74   1.910   3.422  10.175
  601    HD1  TYR  74           HD1      TYR  74   4.153   1.852  11.112
  602    HD2  TYR  74           HD2      TYR  74  -0.067   0.926  11.337
  603    HE1  TYR  74           HE1      TYR  74   4.680  -0.566  11.252
  604    HE2  TYR  74           HE2      TYR  74   0.494  -1.493  11.372
  605    HH   TYR  74           HH       TYR  74   2.477  -2.999  10.633
  606    H    ILE  75           H        ILE  75   3.202   5.385  10.334
  607    HA   ILE  75           HA       ILE  75   6.088   5.145  11.035
  608    HB   ILE  75           HB       ILE  75   4.958   5.474   8.248
  609   1HG1  ILE  75          2HG1      ILE  75   5.627   2.892   9.672
  610   2HG1  ILE  75          3HG1      ILE  75   4.113   3.346   8.931
  611   1HG2  ILE  75          1HG2      ILE  75   7.670   4.512   9.276
  612   2HG2  ILE  75          2HG2      ILE  75   7.247   4.906   7.597
  613   3HG2  ILE  75          3HG2      ILE  75   7.348   6.192   8.785
  614   1HD1  ILE  75          1HD1      ILE  75   6.700   2.611   7.518
  615   2HD1  ILE  75          2HD1      ILE  75   5.140   1.781   7.469
  616   3HD1  ILE  75          3HD1      ILE  75   5.320   3.363   6.681
  617    HA   PRO  76           HA       PRO  76   4.892   9.641  11.228
  618   1HB   PRO  76          2HB       PRO  76   6.311  10.314  13.464
  619   2HB   PRO  76          3HB       PRO  76   4.671   9.598  13.522
  620   1HG   PRO  76          2HG       PRO  76   7.333   8.182  13.842
  621   2HG   PRO  76          3HG       PRO  76   5.868   8.029  14.860
  622   1HD   PRO  76          2HD       PRO  76   6.466   6.248  12.878
  623   2HD   PRO  76          3HD       PRO  76   4.777   6.699  13.252
  624    H    GLY  77           H        GLY  77   5.981  10.189   9.411
  625   1HA   GLY  77          1HA       GLY  77   8.071  11.463   8.715
  626   2HA   GLY  77          2HA       GLY  77   8.986  10.121   9.383
  627    H    THR  78           H        THR  78   6.393   8.567   8.025
  628    HA   THR  78           HA       THR  78   7.617   7.793   5.519
  629    HB   THR  78           HB       THR  78   5.844   6.478   6.592
  630    HG1  THR  78           1HG      THR  78   4.894   5.904   4.760
  631   1HG2  THR  78          1HG2      THR  78   3.781   8.488   5.601
  632   2HG2  THR  78          2HG2      THR  78   3.519   7.024   6.568
  633   3HG2  THR  78          3HG2      THR  78   4.310   8.445   7.272
  634    H    LYS  79           H        LYS  79   7.413   8.667   3.454
  635    HA   LYS  79           HA       LYS  79   6.271  11.360   3.138
  636   1HB   LYS  79          2HB       LYS  79   7.010   9.362   0.975
  637   2HB   LYS  79          3HB       LYS  79   6.575  11.059   0.723
  638   1HG   LYS  79          2HG       LYS  79   8.595  11.616   2.240
  639   2HG   LYS  79          3HG       LYS  79   9.004   9.905   2.050
  640   1HD   LYS  79          2HD       LYS  79   8.588  10.600  -0.585
  641   2HD   LYS  79          3HD       LYS  79   9.131  12.142   0.077
  642   1HE   LYS  79          2HE       LYS  79  11.123  11.100  -0.643
  643   2HE   LYS  79          3HE       LYS  79  11.104  10.808   1.106
  644   1HZ   LYS  79          1HZ       LYS  79  10.268   8.885  -0.998
  645   2HZ   LYS  79          2HZ       LYS  79  11.611   8.755  -0.089
  646   3HZ   LYS  79          3HZ       LYS  79  10.092   8.579   0.568
  647    H    MET  80           H        MET  80   4.628   8.382   3.472
  648    HA   MET  80           HA       MET  80   2.538   8.786   1.554
  649   1HB   MET  80          2HB       MET  80   3.128   6.610   2.427
  650   2HB   MET  80          3HB       MET  80   2.603   7.075   4.049
  651   1HG   MET  80          2HG       MET  80   0.410   6.999   3.539
  652   2HG   MET  80          3HG       MET  80   0.616   7.496   1.865
  653   1HE   MET  80          1HE       MET  80  -1.581   5.600   2.021
  654   2HE   MET  80          2HE       MET  80  -1.258   3.859   2.192
  655   3HE   MET  80          3HE       MET  80  -1.059   4.925   3.586
  656    H    ALA  81           H        ALA  81   2.201  10.995   1.835
  657    HA   ALA  81           HA       ALA  81   1.114  12.219   4.058
  658   1HB   ALA  81          1HB       ALA  81   0.745  13.030   1.142
  659   2HB   ALA  81          2HB       ALA  81   0.612  14.104   2.544
  660   3HB   ALA  81          3HB       ALA  81   2.178  13.382   2.134
  661    H    PHE  82           H        PHE  82  -0.421   9.944   2.656
  662    HA   PHE  82           HA       PHE  82  -3.220  10.590   2.458
  663   1HB   PHE  82          2HB       PHE  82  -2.132   8.570   1.502
  664   2HB   PHE  82          3HB       PHE  82  -1.823   7.977   3.131
  665    HD1  PHE  82           HD1      PHE  82  -3.221   6.162   3.691
  666    HD2  PHE  82           HD2      PHE  82  -4.826   9.335   1.237
  667    HE1  PHE  82           HE1      PHE  82  -5.418   5.058   3.716
  668    HE2  PHE  82           HE2      PHE  82  -7.044   8.244   1.310
  669    HZ   PHE  82           HZ       PHE  82  -7.357   6.130   2.579
  670    H    GLY  83           H        GLY  83  -4.866   9.529   3.918
  671   1HA   GLY  83          1HA       GLY  83  -4.470  10.521   6.714
  672   2HA   GLY  83          2HA       GLY  83  -6.004  10.405   5.854
  673    H    GLY  84           H        GLY  84  -6.400   7.956   5.071
  674   1HA   GLY  84          1HA       GLY  84  -5.547   5.654   6.009
  675   2HA   GLY  84          2HA       GLY  84  -6.330   6.245   7.475
  676    H    LEU  85           H        LEU  85  -7.182   3.908   6.269
  677    HA   LEU  85           HA       LEU  85  -9.914   4.539   5.247
  678   1HB   LEU  85          2HB       LEU  85  -8.117   2.121   4.896
  679   2HB   LEU  85          3HB       LEU  85  -9.799   2.195   4.394
  680    HG   LEU  85           HG       LEU  85  -7.493   3.823   3.274
  681   1HD1  LEU  85          1HD1      LEU  85  -9.234   1.613   2.089
  682   2HD1  LEU  85          2HD1      LEU  85  -8.001   2.521   1.202
  683   3HD1  LEU  85          3HD1      LEU  85  -7.524   1.478   2.554
  684   1HD2  LEU  85          1HD2      LEU  85  -9.537   5.197   3.143
  685   2HD2  LEU  85          2HD2      LEU  85  -9.089   4.602   1.543
  686   3HD2  LEU  85          3HD2      LEU  85 -10.430   3.832   2.424
  687    H    LYS  86           H        LYS  86 -10.842   4.840   7.258
  688    HA   LYS  86           HA       LYS  86 -10.734   2.738   9.293
  689   1HB   LYS  86          2HB       LYS  86 -11.114   5.535   9.296
  690   2HB   LYS  86          3HB       LYS  86 -12.649   4.901   9.853
  691   1HG   LYS  86          2HG       LYS  86  -9.892   4.243  11.005
  692   2HG   LYS  86          3HG       LYS  86 -11.039   5.410  11.672
  693   1HD   LYS  86          2HD       LYS  86 -12.675   3.550  12.077
  694   2HD   LYS  86          3HD       LYS  86 -11.492   2.403  11.444
  695   1HE   LYS  86          2HE       LYS  86 -11.321   2.263  13.792
  696   2HE   LYS  86          3HE       LYS  86  -9.877   3.101  13.228
  697   1HZ   LYS  86          1HZ       LYS  86 -12.289   4.434  14.362
  698   2HZ   LYS  86          2HZ       LYS  86 -10.902   4.158  15.190
  699   3HZ   LYS  86          3HZ       LYS  86 -10.903   5.197  13.913
  700    H    LYS  87           H        LYS  87 -12.351   2.409   6.654
  701    HA   LYS  87           HA       LYS  87 -14.678   1.036   7.959
  702   1HB   LYS  87          2HB       LYS  87 -14.584   2.480   5.291
  703   2HB   LYS  87          3HB       LYS  87 -15.736   1.188   5.582
  704   1HG   LYS  87          2HG       LYS  87 -15.567   3.673   7.344
  705   2HG   LYS  87          3HG       LYS  87 -16.608   3.519   5.926
  706   1HD   LYS  87          2HD       LYS  87 -17.683   1.494   6.985
  707   2HD   LYS  87          3HD       LYS  87 -16.769   1.850   8.469
  708   1HE   LYS  87          2HE       LYS  87 -17.822   4.096   8.579
  709   2HE   LYS  87          3HE       LYS  87 -18.682   3.779   7.071
  710   1HZ   LYS  87          1HZ       LYS  87 -19.088   2.318   9.627
  711   2HZ   LYS  87          2HZ       LYS  87 -20.128   3.374   8.934
  712   3HZ   LYS  87          3HZ       LYS  87 -19.832   1.938   8.209
  713    H    GLU  88           H        GLU  88 -13.985  -0.938   8.226
  714    HA   GLU  88           HA       GLU  88 -12.009  -2.240   6.801
  715   1HB   GLU  88          2HB       GLU  88 -13.379  -2.907   8.987
  716   2HB   GLU  88          3HB       GLU  88 -14.286  -3.901   7.846
  717   1HG   GLU  88          2HG       GLU  88 -11.942  -4.722   7.023
  718   2HG   GLU  88          3HG       GLU  88 -11.304  -3.979   8.483
  719    H    LYS  89           H        LYS  89 -15.499  -2.196   5.886
  720    HA   LYS  89           HA       LYS  89 -15.392  -4.162   3.903
  721   1HB   LYS  89          2HB       LYS  89 -17.324  -3.190   2.982
  722   2HB   LYS  89          3HB       LYS  89 -17.465  -3.191   4.724
  723   1HG   LYS  89          2HG       LYS  89 -17.645  -0.941   4.878
  724   2HG   LYS  89          3HG       LYS  89 -16.560  -0.574   3.557
  725   1HD   LYS  89          2HD       LYS  89 -19.196  -1.884   2.878
  726   2HD   LYS  89          3HD       LYS  89 -19.215  -0.216   3.401
  727   1HE   LYS  89          2HE       LYS  89 -19.172  -0.609   0.900
  728   2HE   LYS  89          3HE       LYS  89 -18.064   0.594   1.558
  729   1HZ   LYS  89          1HZ       LYS  89 -17.059  -2.136   0.955
  730   2HZ   LYS  89          2HZ       LYS  89 -17.100  -0.898  -0.129
  731   3HZ   LYS  89          3HZ       LYS  89 -16.256  -0.678   1.181
  732    H    ASP  90           H        ASP  90 -14.423  -0.824   3.570
  733    HA   ASP  90           HA       ASP  90 -13.841  -0.967   0.697
  734   1HB   ASP  90          2HB       ASP  90 -13.504   1.056   2.901
  735   2HB   ASP  90          3HB       ASP  90 -12.360   1.104   1.578
  736    H    ARG  91           H        ARG  91 -11.879  -1.090   3.745
  737    HA   ARG  91           HA       ARG  91  -9.391  -1.666   2.433
  738   1HB   ARG  91          2HB       ARG  91 -10.324  -2.451   5.236
  739   2HB   ARG  91          3HB       ARG  91  -8.728  -2.800   4.585
  740   1HG   ARG  91          2HG       ARG  91  -8.764  -0.181   4.047
  741   2HG   ARG  91          3HG       ARG  91  -9.863  -0.145   5.422
  742   1HD   ARG  91          2HD       ARG  91  -7.182  -1.591   5.622
  743   2HD   ARG  91          3HD       ARG  91  -7.220   0.152   5.629
  744    HE   ARG  91           HE       ARG  91  -7.839   0.181   7.785
  745   1HH1  ARG  91          1HH2      ARG  91  -8.272  -3.126   6.852
  746   2HH1  ARG  91          2HH2      ARG  91  -8.984  -3.555   8.364
  747   1HH2  ARG  91          1HH1      ARG  91  -7.911  -0.630   9.734
  748   2HH2  ARG  91          2HH1      ARG  91  -8.309  -2.251  10.063
  749    H    ASN  92           H        ASN  92 -11.899  -3.993   3.413
  750    HA   ASN  92           HA       ASN  92 -10.345  -6.267   2.693
  751   1HB   ASN  92          2HB       ASN  92 -13.356  -5.935   2.960
  752   2HB   ASN  92          3HB       ASN  92 -12.501  -7.490   2.792
  753   1HD2  ASN  92          2HD2      ASN  92 -14.107  -6.946   5.034
  754   2HD2  ASN  92          1HD2      ASN  92 -13.023  -6.795   6.440
  755    H    ASP  93           H        ASP  93 -12.760  -4.467   0.725
  756    HA   ASP  93           HA       ASP  93 -12.441  -6.043  -1.694
  757   1HB   ASP  93          2HB       ASP  93 -13.530  -3.307  -1.013
  758   2HB   ASP  93          3HB       ASP  93 -13.068  -3.619  -2.672
  759    H    LEU  94           H        LEU  94 -10.864  -3.060  -0.566
  760    HA   LEU  94           HA       LEU  94  -9.108  -2.588  -2.744
  761   1HB   LEU  94          2HB       LEU  94  -9.780  -1.132  -0.665
  762   2HB   LEU  94          3HB       LEU  94  -8.437  -1.916   0.137
  763    HG   LEU  94           HG       LEU  94  -7.730   0.210  -0.568
  764   1HD1  LEU  94          1HD1      LEU  94  -6.617  -1.509  -2.801
  765   2HD1  LEU  94          2HD1      LEU  94  -5.903  -0.066  -2.065
  766   3HD1  LEU  94          3HD1      LEU  94  -6.049  -1.555  -1.111
  767   1HD2  LEU  94          1HD2      LEU  94  -9.503   0.699  -2.138
  768   2HD2  LEU  94          2HD2      LEU  94  -7.930   1.095  -2.832
  769   3HD2  LEU  94          3HD2      LEU  94  -8.778  -0.384  -3.352
  770    H    ILE  95           H        ILE  95  -8.474  -4.420   0.300
  771    HA   ILE  95           HA       ILE  95  -5.881  -5.333  -0.551
  772    HB   ILE  95           HB       ILE  95  -7.801  -6.137   1.641
  773   1HG1  ILE  95          2HG1      ILE  95  -4.939  -5.025   1.637
  774   2HG1  ILE  95          3HG1      ILE  95  -6.370  -4.000   1.666
  775   1HG2  ILE  95          1HG2      ILE  95  -5.130  -7.477   1.014
  776   2HG2  ILE  95          2HG2      ILE  95  -6.070  -7.691   2.510
  777   3HG2  ILE  95          3HG2      ILE  95  -6.734  -8.233   1.000
  778   1HD1  ILE  95          1HD1      ILE  95  -5.563  -5.966   3.831
  779   2HD1  ILE  95          2HD1      ILE  95  -5.522  -4.198   3.883
  780   3HD1  ILE  95          3HD1      ILE  95  -7.088  -5.047   3.792
  781    H    THR  96           H        THR  96  -9.137  -6.914  -0.784
  782    HA   THR  96           HA       THR  96  -8.225  -9.291  -2.013
  783    HB   THR  96           HB       THR  96 -10.794  -7.843  -2.789
  784    HG1  THR  96           1HG      THR  96 -10.700  -8.285  -0.562
  785   1HG2  THR  96          1HG2      THR  96  -9.982 -10.787  -2.923
  786   2HG2  THR  96          2HG2      THR  96 -11.592 -10.143  -3.290
  787   3HG2  THR  96          3HG2      THR  96 -10.222  -9.716  -4.322
  788    H    TYR  97           H        TYR  97  -8.716  -6.120  -3.531
  789    HA   TYR  97           HA       TYR  97  -7.755  -6.901  -6.168
  790   1HB   TYR  97          2HB       TYR  97  -8.943  -4.899  -6.025
  791   2HB   TYR  97          3HB       TYR  97  -7.950  -4.256  -4.728
  792    HD1  TYR  97           HD1      TYR  97  -7.660  -5.456  -8.273
  793    HD2  TYR  97           HD2      TYR  97  -6.202  -2.758  -5.238
  794    HE1  TYR  97           HE1      TYR  97  -6.153  -4.414  -9.934
  795    HE2  TYR  97           HE2      TYR  97  -4.675  -1.717  -6.917
  796    HH   TYR  97           HH       TYR  97  -4.383  -3.017 -10.196
  797    H    LEU  98           H        LEU  98  -5.912  -5.119  -3.556
  798    HA   LEU  98           HA       LEU  98  -3.558  -5.218  -5.091
  799   1HB   LEU  98          2HB       LEU  98  -4.486  -4.232  -2.506
  800   2HB   LEU  98          3HB       LEU  98  -2.896  -4.893  -2.326
  801    HG   LEU  98           HG       LEU  98  -3.581  -2.970  -4.590
  802   1HD1  LEU  98          1HD1      LEU  98  -2.441  -2.187  -1.886
  803   2HD1  LEU  98          2HD1      LEU  98  -2.740  -1.128  -3.280
  804   3HD1  LEU  98          3HD1      LEU  98  -4.099  -1.879  -2.433
  805   1HD2  LEU  98          1HD2      LEU  98  -1.422  -4.269  -4.744
  806   2HD2  LEU  98          2HD2      LEU  98  -1.200  -2.526  -4.640
  807   3HD2  LEU  98          3HD2      LEU  98  -0.916  -3.556  -3.209
  808    H    LYS  99           H        LYS  99  -4.716  -7.533  -2.741
  809    HA   LYS  99           HA       LYS  99  -2.477  -9.327  -2.721
  810   1HB   LYS  99          2HB       LYS  99  -4.722  -9.321  -1.363
  811   2HB   LYS  99          3HB       LYS  99  -5.365 -10.272  -2.691
  812   1HG   LYS  99          2HG       LYS  99  -2.989 -10.892  -0.877
  813   2HG   LYS  99          3HG       LYS  99  -4.583 -11.624  -0.782
  814   1HD   LYS  99          2HD       LYS  99  -2.587 -12.010  -3.046
  815   2HD   LYS  99          3HD       LYS  99  -2.925 -13.129  -1.736
  816   1HE   LYS  99          2HE       LYS  99  -5.208 -13.442  -2.444
  817   2HE   LYS  99          3HE       LYS  99  -5.050 -12.236  -3.739
  818   1HZ   LYS  99          1HZ       LYS  99  -3.229 -14.535  -3.634
  819   2HZ   LYS  99          2HZ       LYS  99  -4.707 -14.751  -4.312
  820   3HZ   LYS  99          3HZ       LYS  99  -3.628 -13.678  -4.952
  821    H    LYS 100           H        LYS 100  -5.290  -9.180  -4.959
  822    HA   LYS 100           HA       LYS 100  -4.212 -11.195  -6.792
  823   1HB   LYS 100          2HB       LYS 100  -6.703 -10.197  -6.305
  824   2HB   LYS 100          3HB       LYS 100  -6.328  -9.318  -7.765
  825   1HG   LYS 100          2HG       LYS 100  -6.144 -12.369  -7.479
  826   2HG   LYS 100          3HG       LYS 100  -7.611 -11.515  -7.898
  827   1HD   LYS 100          2HD       LYS 100  -7.030 -12.033  -9.990
  828   2HD   LYS 100          3HD       LYS 100  -6.182 -10.501  -9.878
  829   1HE   LYS 100          2HE       LYS 100  -4.813 -12.186 -10.997
  830   2HE   LYS 100          3HE       LYS 100  -4.050 -11.699  -9.494
  831   1HZ   LYS 100          1HZ       LYS 100  -5.537 -14.247  -9.780
  832   2HZ   LYS 100          2HZ       LYS 100  -3.883 -13.992  -9.676
  833   3HZ   LYS 100          3HZ       LYS 100  -4.706 -13.644  -8.433
  834    H    ALA 101           H        ALA 101  -3.539  -7.882  -6.415
  835    HA   ALA 101           HA       ALA 101  -2.495  -7.476  -9.129
  836   1HB   ALA 101          1HB       ALA 101  -1.783  -5.933  -6.603
  837   2HB   ALA 101          2HB       ALA 101  -1.551  -5.427  -8.270
  838   3HB   ALA 101          3HB       ALA 101  -3.197  -5.584  -7.631
  839    H    THR 102           H        THR 102  -1.298  -9.030  -6.263
  840    HA   THR 102           HA       THR 102   1.447  -9.327  -7.412
  841    HB   THR 102           HB       THR 102   0.426 -10.018  -4.633
  842    HG1  THR 102           1HG      THR 102   0.603  -7.833  -5.008
  843   1HG2  THR 102          1HG2      THR 102   3.227 -10.121  -5.839
  844   2HG2  THR 102          2HG2      THR 102   2.885 -10.149  -4.091
  845   3HG2  THR 102          3HG2      THR 102   2.321 -11.467  -5.126
  846    H    GLU 103           H        GLU 103  -1.419 -11.168  -6.351
  847    HA   GLU 103           HA       GLU 103  -0.301 -13.754  -7.413
  848   1HB   GLU 103          2HB       GLU 103  -1.921 -13.068  -4.979
  849   2HB   GLU 103          3HB       GLU 103  -1.686 -14.731  -5.568
  850   1HG   GLU 103          2HG       GLU 103   0.706 -14.548  -5.009
  851   2HG   GLU 103          3HG       GLU 103   0.421 -12.899  -4.400
  852    HHA  HEC 104           HHA      HEC 104   5.132   3.155   0.711
  853    HHB  HEC 104           HHB      HEC 104  -0.683   0.438  -0.040
  854    HHC  HEC 104           HHC      HEC 104  -3.279   6.297  -1.037
  855    HHD  HEC 104           HHD      HEC 104   2.623   8.835  -1.117
  856   1HMA  HEC 104          1HMA      HEC 104   1.686  -1.147   1.687
  857   2HMA  HEC 104          2HMA      HEC 104   0.791  -1.162   0.149
  858   3HMA  HEC 104          3HMA      HEC 104   2.528  -1.451   0.157
  859   1HAA  HEC 104          1HAA      HEC 104   4.259  -0.494   1.476
  860   2HAA  HEC 104          2HAA      HEC 104   5.075   1.034   1.776
  861   1HBA  HEC 104          1HBA      HEC 104   5.862   1.115  -0.518
  862   2HBA  HEC 104          2HBA      HEC 104   4.874  -0.277  -0.962
  863   1HMB  HEC 104          1HMB      HEC 104  -2.833   0.165  -0.237
  864   2HMB  HEC 104          2HMB      HEC 104  -4.365   1.005  -0.403
  865   3HMB  HEC 104          3HMB      HEC 104  -3.362   0.724  -1.832
  866    HAB  HEC 104           HAB      HEC 104  -4.741   4.925  -1.216
  867   1HBB  HEC 104          1HBB      HEC 104  -5.164   4.149   1.042
  868   2HBB  HEC 104          2HBB      HEC 104  -6.566   4.026  -0.030
  869   3HBB  HEC 104          3HBB      HEC 104  -5.659   2.567   0.405
  870   1HMC  HEC 104          1HMC      HEC 104  -3.411   8.732  -0.862
  871   2HMC  HEC 104          2HMC      HEC 104  -2.587   9.911  -1.884
  872   3HMC  HEC 104          3HMC      HEC 104  -3.106   8.368  -2.571
  873    HAC  HEC 104           HAC      HEC 104   1.331  10.083  -2.116
  874   1HBC  HEC 104          1HBC      HEC 104   0.376  11.050  -0.111
  875   2HBC  HEC 104          2HBC      HEC 104   0.330  12.160  -1.499
  876   3HBC  HEC 104          3HBC      HEC 104  -1.153  11.344  -0.961
  877   1HMD  HEC 104          1HMD      HEC 104   5.061   9.060  -0.044
  878   2HMD  HEC 104          2HMD      HEC 104   6.312   8.139  -0.936
  879   3HMD  HEC 104          3HMD      HEC 104   4.798   8.628  -1.719
  880   1HAD  HEC 104          1HAD      HEC 104   7.125   6.096  -0.368
  881   2HAD  HEC 104          2HAD      HEC 104   6.794   4.632   0.528
  882   1HBD  HEC 104          1HBD      HEC 104   6.771   5.663   2.587
  883   2HBD  HEC 104          2HBD      HEC 104   6.184   7.194   1.946
  Start of MODEL    9
    1   1H    THR  -5          H1        THR  -5 -13.679  -9.130  10.413
    2   2H    THR  -5          H2        THR  -5 -13.059  -7.688   9.861
    3   3H    THR  -5          H3        THR  -5 -14.134  -7.706  11.095
    4    HA   THR  -5           HA       THR  -5 -11.823  -7.277  11.742
    5    HB   THR  -5           HB       THR  -5 -12.331  -9.638  13.374
    6    HG1  THR  -5           1HG      THR  -5 -14.366  -9.692  12.836
    7   1HG2  THR  -5          1HG2      THR  -5 -12.704  -6.673  13.879
    8   2HG2  THR  -5          2HG2      THR  -5 -12.631  -7.963  15.098
    9   3HG2  THR  -5          3HG2      THR  -5 -11.198  -7.599  14.118
   10    H    GLU  -4           H        GLU  -4 -12.373 -10.711  11.645
   11    HA   GLU  -4           HA       GLU  -4  -9.967 -11.944  11.199
   12   1HB   GLU  -4          2HB       GLU  -4 -11.449 -13.796  10.562
   13   2HB   GLU  -4          3HB       GLU  -4 -12.025 -12.943  11.979
   14   1HG   GLU  -4          2HG       GLU  -4 -13.188 -12.765   9.171
   15   2HG   GLU  -4          3HG       GLU  -4 -13.892 -13.587  10.553
   16    H    PHE  -3           H        PHE  -3 -10.878  -9.740   9.088
   17    HA   PHE  -3           HA       PHE  -3 -10.966  -9.242   6.907
   18   1HB   PHE  -3          2HB       PHE  -3  -8.650  -9.772   6.769
   19   2HB   PHE  -3          3HB       PHE  -3  -8.969 -11.495   6.647
   20    HD1  PHE  -3           HD1      PHE  -3  -9.298  -8.256   4.810
   21    HD2  PHE  -3           HD2      PHE  -3  -9.378 -12.562   4.570
   22    HE1  PHE  -3           HE1      PHE  -3  -9.288  -8.134   2.319
   23    HE2  PHE  -3           HE2      PHE  -3  -9.333 -12.424   2.095
   24    HZ   PHE  -3           HZ       PHE  -3  -9.293 -10.214   0.972
   25    H    LYS  -2           H        LYS  -2 -11.958  -9.707   4.905
   26    HA   LYS  -2           HA       LYS  -2 -13.377 -12.237   4.603
   27   1HB   LYS  -2          2HB       LYS  -2 -14.737 -10.739   6.236
   28   2HB   LYS  -2          3HB       LYS  -2 -15.162  -9.797   4.804
   29   1HG   LYS  -2          2HG       LYS  -2 -15.924 -12.037   3.747
   30   2HG   LYS  -2          3HG       LYS  -2 -15.616 -12.773   5.325
   31   1HD   LYS  -2          2HD       LYS  -2 -17.916 -12.350   5.352
   32   2HD   LYS  -2          3HD       LYS  -2 -17.242 -11.004   6.292
   33   1HE   LYS  -2          2HE       LYS  -2 -17.291  -9.591   4.208
   34   2HE   LYS  -2          3HE       LYS  -2 -17.964 -10.960   3.316
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.263  -9.479   5.529
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.765  -9.567   3.966
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.859 -10.890   4.929
   38    H    ALA  -1           H        ALA  -1 -12.713 -12.639   2.684
   39    HA   ALA  -1           HA       ALA  -1 -11.894 -11.117   0.612
   40   1HB   ALA  -1          1HB       ALA  -1 -13.431 -13.741   0.411
   41   2HB   ALA  -1          2HB       ALA  -1 -12.340 -13.071  -0.821
   42   3HB   ALA  -1          3HB       ALA  -1 -11.692 -13.561   0.758
   43    H    GLY   1           H        GLY   1 -12.635  -9.694  -0.732
   44   1HA   GLY   1          1HA       GLY   1 -15.574  -9.404  -1.279
   45   2HA   GLY   1          2HA       GLY   1 -14.388  -8.094  -1.303
   46    H    SER   2           H        SER   2 -14.137  -7.441  -3.362
   47    HA   SER   2           HA       SER   2 -13.611  -9.544  -5.457
   48   1HB   SER   2          2HB       SER   2 -15.902  -8.670  -5.693
   49   2HB   SER   2          3HB       SER   2 -15.234  -7.037  -5.873
   50    HG   SER   2           HG       SER   2 -15.176  -9.214  -7.599
   51    H    ALA   3           H        ALA   3 -11.709  -9.360  -6.398
   52    HA   ALA   3           HA       ALA   3  -9.993  -7.135  -6.190
   53   1HB   ALA   3          1HB       ALA   3 -10.102  -9.258  -8.377
   54   2HB   ALA   3          2HB       ALA   3  -8.723  -8.193  -8.027
   55   3HB   ALA   3          3HB       ALA   3  -9.240  -9.388  -6.822
   56    H    LYS   4           H        LYS   4 -12.763  -7.469  -8.276
   57    HA   LYS   4           HA       LYS   4 -11.988  -5.259 -10.050
   58   1HB   LYS   4          2HB       LYS   4 -14.459  -6.969  -9.695
   59   2HB   LYS   4          3HB       LYS   4 -14.603  -5.466 -10.585
   60   1HG   LYS   4          2HG       LYS   4 -12.450  -7.496 -11.290
   61   2HG   LYS   4          3HG       LYS   4 -14.093  -7.674 -11.896
   62   1HD   LYS   4          2HD       LYS   4 -12.457  -5.135 -12.319
   63   2HD   LYS   4          3HD       LYS   4 -12.457  -6.501 -13.448
   64   1HE   LYS   4          2HE       LYS   4 -14.889  -6.322 -13.748
   65   2HE   LYS   4          3HE       LYS   4 -14.969  -4.999 -12.580
   66   1HZ   LYS   4          1HZ       LYS   4 -13.463  -4.881 -15.130
   67   2HZ   LYS   4          2HZ       LYS   4 -14.944  -4.217 -14.883
   68   3HZ   LYS   4          3HZ       LYS   4 -13.647  -3.647 -14.054
   69    H    LYS   5           H        LYS   5 -13.585  -5.532  -7.164
   70    HA   LYS   5           HA       LYS   5 -14.775  -2.786  -7.047
   71   1HB   LYS   5          2HB       LYS   5 -14.472  -5.028  -5.013
   72   2HB   LYS   5          3HB       LYS   5 -14.840  -3.399  -4.489
   73   1HG   LYS   5          2HG       LYS   5 -16.549  -4.762  -6.592
   74   2HG   LYS   5          3HG       LYS   5 -16.758  -5.050  -4.858
   75   1HD   LYS   5          2HD       LYS   5 -16.986  -2.558  -4.501
   76   2HD   LYS   5          3HD       LYS   5 -16.918  -2.331  -6.254
   77   1HE   LYS   5          2HE       LYS   5 -19.233  -2.314  -5.496
   78   2HE   LYS   5          3HE       LYS   5 -18.941  -3.727  -6.522
   79   1HZ   LYS   5          1HZ       LYS   5 -18.998  -3.726  -3.551
   80   2HZ   LYS   5          2HZ       LYS   5 -20.151  -4.398  -4.534
   81   3HZ   LYS   5          3HZ       LYS   5 -18.626  -5.022  -4.453
   82    H    GLY   6           H        GLY   6 -12.154  -4.473  -5.266
   83   1HA   GLY   6          1HA       GLY   6 -10.919  -2.178  -4.211
   84   2HA   GLY   6          2HA       GLY   6 -10.069  -3.657  -4.612
   85    H    ALA   7           H        ALA   7 -10.290  -3.657  -7.470
   86    HA   ALA   7           HA       ALA   7  -8.383  -1.844  -8.378
   87   1HB   ALA   7          1HB       ALA   7 -10.642  -3.156  -9.950
   88   2HB   ALA   7          2HB       ALA   7  -9.201  -2.397 -10.654
   89   3HB   ALA   7          3HB       ALA   7  -9.033  -3.839  -9.649
   90    H    THR   8           H        THR   8 -11.984  -1.420  -8.670
   91    HA   THR   8           HA       THR   8 -11.767   1.219  -9.826
   92    HB   THR   8           HB       THR   8 -14.159   1.507  -9.015
   93    HG1  THR   8           1HG      THR   8 -13.738  -0.493  -7.461
   94   1HG2  THR   8          1HG2      THR   8 -13.521  -0.950 -10.695
   95   2HG2  THR   8          2HG2      THR   8 -15.050  -0.045 -10.682
   96   3HG2  THR   8          3HG2      THR   8 -13.573   0.731 -11.287
   97    H    LEU   9           H        LEU   9 -11.837   0.175  -6.469
   98    HA   LEU   9           HA       LEU   9 -12.275   2.773  -5.283
   99   1HB   LEU   9          2HB       LEU   9 -11.202   0.153  -4.206
  100   2HB   LEU   9          3HB       LEU   9 -11.224   1.619  -3.228
  101    HG   LEU   9           HG       LEU   9 -13.715   0.644  -4.592
  102   1HD1  LEU   9          1HD1      LEU   9 -12.717  -0.080  -1.781
  103   2HD1  LEU   9          2HD1      LEU   9 -14.315  -0.481  -2.445
  104   3HD1  LEU   9          3HD1      LEU   9 -12.865  -1.206  -3.150
  105   1HD2  LEU   9          1HD2      LEU   9 -13.811   2.936  -3.720
  106   2HD2  LEU   9          2HD2      LEU   9 -14.821   1.878  -2.728
  107   3HD2  LEU   9          3HD2      LEU   9 -13.234   2.379  -2.132
  108    H    PHE  10           H        PHE  10  -9.390   0.720  -5.481
  109    HA   PHE  10           HA       PHE  10  -7.293   2.351  -4.718
  110   1HB   PHE  10          2HB       PHE  10  -7.078  -0.001  -5.293
  111   2HB   PHE  10          3HB       PHE  10  -7.494   0.316  -6.969
  112    HD1  PHE  10           HD1      PHE  10  -5.812   0.767  -8.569
  113    HD2  PHE  10           HD2      PHE  10  -4.881   0.891  -4.369
  114    HE1  PHE  10           HE1      PHE  10  -3.380   0.912  -9.102
  115    HE2  PHE  10           HE2      PHE  10  -2.478   1.143  -4.909
  116    HZ   PHE  10           HZ       PHE  10  -1.716   1.151  -7.272
  117    H    LYS  11           H        LYS  11  -8.886   2.352  -7.883
  118    HA   LYS  11           HA       LYS  11  -7.165   4.128  -9.260
  119   1HB   LYS  11          2HB       LYS  11  -9.450   2.654  -9.879
  120   2HB   LYS  11          3HB       LYS  11 -10.045   4.301 -10.013
  121   1HG   LYS  11          2HG       LYS  11  -8.228   4.840 -11.595
  122   2HG   LYS  11          3HG       LYS  11  -7.499   3.248 -11.290
  123   1HD   LYS  11          2HD       LYS  11  -9.474   2.137 -12.292
  124   2HD   LYS  11          3HD       LYS  11 -10.164   3.725 -12.655
  125   1HE   LYS  11          2HE       LYS  11  -9.062   2.812 -14.650
  126   2HE   LYS  11          3HE       LYS  11  -8.246   4.277 -14.095
  127   1HZ   LYS  11          1HZ       LYS  11  -7.307   1.506 -13.568
  128   2HZ   LYS  11          2HZ       LYS  11  -6.630   2.547 -14.642
  129   3HZ   LYS  11          3HZ       LYS  11  -6.570   2.872 -13.044
  130    H    THR  12           H        THR  12  -9.669   4.883  -6.986
  131    HA   THR  12           HA       THR  12  -8.989   7.783  -7.106
  132    HB   THR  12           HB       THR  12 -11.003   7.414  -8.388
  133    HG1  THR  12           1HG      THR  12 -12.097   9.048  -7.468
  134   1HG2  THR  12          1HG2      THR  12 -12.303   6.424  -5.827
  135   2HG2  THR  12          2HG2      THR  12 -13.141   6.847  -7.333
  136   3HG2  THR  12          3HG2      THR  12 -12.020   5.478  -7.299
  137    H    ARG  13           H        ARG  13  -7.915   5.819  -5.463
  138    HA   ARG  13           HA       ARG  13  -8.332   7.182  -2.840
  139   1HB   ARG  13          2HB       ARG  13  -8.084   4.156  -3.175
  140   2HB   ARG  13          3HB       ARG  13  -7.991   5.002  -1.637
  141   1HG   ARG  13          2HG       ARG  13 -10.461   4.957  -3.414
  142   2HG   ARG  13          3HG       ARG  13 -10.152   3.867  -2.072
  143   1HD   ARG  13          2HD       ARG  13 -10.134   5.796  -0.522
  144   2HD   ARG  13          3HD       ARG  13 -10.448   6.892  -1.871
  145    HE   ARG  13           HE       ARG  13 -12.338   5.010  -0.593
  146   1HH1  ARG  13          1HH2      ARG  13 -11.864   7.001  -3.428
  147   2HH1  ARG  13          2HH2      ARG  13 -13.551   7.008  -3.838
  148   1HH2  ARG  13          1HH1      ARG  13 -14.397   4.847  -1.223
  149   2HH2  ARG  13          2HH1      ARG  13 -14.993   5.765  -2.586
  150    H    CYS  14           H        CYS  14  -6.254   5.149  -4.857
  151    HA   CYS  14           HA       CYS  14  -3.855   5.932  -3.252
  152   1HB   CYS  14          2HB       CYS  14  -4.310   3.351  -4.717
  153   2HB   CYS  14          3HB       CYS  14  -3.106   3.675  -3.483
  154    H    LEU  15           H        LEU  15  -5.010   4.883  -6.484
  155    HA   LEU  15           HA       LEU  15  -2.586   4.890  -7.830
  156   1HB   LEU  15          2HB       LEU  15  -4.733   3.902  -8.579
  157   2HB   LEU  15          3HB       LEU  15  -5.343   5.531  -8.908
  158    HG   LEU  15           HG       LEU  15  -3.549   5.819 -10.637
  159   1HD1  LEU  15          1HD1      LEU  15  -3.035   2.844 -10.195
  160   2HD1  LEU  15          2HD1      LEU  15  -2.351   3.853 -11.489
  161   3HD1  LEU  15          3HD1      LEU  15  -1.898   4.148  -9.815
  162   1HD2  LEU  15          1HD2      LEU  15  -5.803   5.075 -11.234
  163   2HD2  LEU  15          2HD2      LEU  15  -4.567   4.386 -12.306
  164   3HD2  LEU  15          3HD2      LEU  15  -5.281   3.371 -11.021
  165    H    GLN  16           H        GLN  16  -4.443   7.700  -6.957
  166    HA   GLN  16           HA       GLN  16  -3.342   9.688  -8.605
  167   1HB   GLN  16          2HB       GLN  16  -3.733  11.248  -6.789
  168   2HB   GLN  16          3HB       GLN  16  -5.104  10.176  -7.052
  169   1HG   GLN  16          2HG       GLN  16  -4.478   8.852  -5.053
  170   2HG   GLN  16          3HG       GLN  16  -3.054   9.870  -4.814
  171   1HE2  GLN  16          2HE2      GLN  16  -3.355  11.662  -3.335
  172   2HE2  GLN  16          1HE2      GLN  16  -5.032  12.200  -3.064
  173    H    CYS  17           H        CYS  17  -1.728   7.952  -5.920
  174    HA   CYS  17           HA       CYS  17   0.737   9.588  -6.380
  175   1HB   CYS  17          2HB       CYS  17  -0.138   7.887  -4.033
  176   2HB   CYS  17          3HB       CYS  17   1.404   8.709  -4.153
  177    H    HIS  18           H        HIS  18  -0.476   6.350  -6.718
  178    HA   HIS  18           HA       HIS  18   2.262   5.142  -6.728
  179   1HB   HIS  18          1HB       HIS  18  -0.524   4.180  -5.975
  180   2HB   HIS  18          2HB       HIS  18   0.763   3.040  -6.309
  181    HD1  HIS  18           HD1      HIS  18   3.130   3.536  -4.825
  182    HD2  HIS  18           HD2      HIS  18  -0.625   4.831  -3.408
  183    HE1  HIS  18           HE1      HIS  18   3.351   3.797  -2.306
  184    H    THR  19           H        THR  19   2.461   3.076  -7.921
  185    HA   THR  19           HA       THR  19   0.770   2.649 -10.318
  186    HB   THR  19           HB       THR  19   2.712   1.949 -11.612
  187    HG1  THR  19           1HG      THR  19   4.612   3.387 -10.588
  188   1HG2  THR  19          1HG2      THR  19   2.885   4.883 -10.839
  189   2HG2  THR  19          2HG2      THR  19   3.380   4.131 -12.373
  190   3HG2  THR  19          3HG2      THR  19   1.668   4.188 -11.933
  191    H    VAL  20           H        VAL  20   1.056   0.454 -11.114
  192    HA   VAL  20           HA       VAL  20   1.658  -1.534  -8.956
  193    HB   VAL  20           HB       VAL  20  -0.707  -0.799  -8.824
  194   1HG1  VAL  20          1HG1      VAL  20  -1.102  -2.149 -11.521
  195   2HG1  VAL  20          2HG1      VAL  20  -2.338  -1.414 -10.485
  196   3HG1  VAL  20          3HG1      VAL  20  -1.127  -0.391 -11.254
  197   1HG2  VAL  20          1HG2      VAL  20  -0.069  -3.016  -8.020
  198   2HG2  VAL  20          2HG2      VAL  20  -1.720  -2.966  -8.648
  199   3HG2  VAL  20          3HG2      VAL  20  -0.431  -3.705  -9.620
  200    H    GLU  21           H        GLU  21   1.354  -0.888 -12.389
  201    HA   GLU  21           HA       GLU  21   1.526  -3.577 -13.279
  202   1HB   GLU  21          2HB       GLU  21   2.690  -1.188 -14.703
  203   2HB   GLU  21          3HB       GLU  21   2.228  -2.724 -15.425
  204   1HG   GLU  21          2HG       GLU  21  -0.132  -2.361 -14.899
  205   2HG   GLU  21          3HG       GLU  21   0.237  -0.853 -14.059
  206    H    LYS  22           H        LYS  22   3.391  -4.568 -14.517
  207    HA   LYS  22           HA       LYS  22   5.345  -5.078 -12.549
  208   1HB   LYS  22          2HB       LYS  22   4.790  -6.186 -15.300
  209   2HB   LYS  22          3HB       LYS  22   5.954  -6.820 -14.142
  210   1HG   LYS  22          2HG       LYS  22   4.006  -6.926 -12.435
  211   2HG   LYS  22          3HG       LYS  22   2.946  -6.652 -13.802
  212   1HD   LYS  22          2HD       LYS  22   4.844  -9.001 -13.365
  213   2HD   LYS  22          3HD       LYS  22   3.067  -9.027 -13.311
  214   1HE   LYS  22          2HE       LYS  22   3.061  -8.213 -15.699
  215   2HE   LYS  22          3HE       LYS  22   4.825  -8.376 -15.712
  216   1HZ   LYS  22          1HZ       LYS  22   2.939 -10.609 -15.182
  217   2HZ   LYS  22          2HZ       LYS  22   3.654 -10.334 -16.639
  218   3HZ   LYS  22          3HZ       LYS  22   4.574 -10.742 -15.336
  219    H    GLY  23           H        GLY  23   6.564  -3.202 -12.407
  220   1HA   GLY  23          1HA       GLY  23   8.787  -2.246 -12.905
  221   2HA   GLY  23          2HA       GLY  23   8.526  -2.611 -14.607
  222    H    GLY  24           H        GLY  24   5.606  -1.532 -13.350
  223   1HA   GLY  24          1HA       GLY  24   5.397   0.862 -14.784
  224   2HA   GLY  24          2HA       GLY  24   4.401   0.408 -13.395
  225    HA   PRO  25           HA       PRO  25   8.169   3.407 -12.785
  226   1HB   PRO  25          2HB       PRO  25   7.280   5.978 -13.295
  227   2HB   PRO  25          3HB       PRO  25   7.979   4.879 -14.522
  228   1HG   PRO  25          2HG       PRO  25   5.047   5.352 -13.899
  229   2HG   PRO  25          3HG       PRO  25   5.848   5.346 -15.505
  230   1HD   PRO  25          2HD       PRO  25   4.544   3.159 -14.599
  231   2HD   PRO  25          3HD       PRO  25   6.108   2.980 -15.456
  232    H    HIS  26           H        HIS  26   8.666   3.912 -10.765
  233    HA   HIS  26           HA       HIS  26   6.807   4.474  -8.644
  234   1HB   HIS  26          2HB       HIS  26   9.696   5.361  -8.798
  235   2HB   HIS  26          3HB       HIS  26   8.735   4.996  -7.362
  236    HD1  HIS  26           HD1      HIS  26   7.794   2.056  -7.986
  237    HD2  HIS  26           HD2      HIS  26  11.606   3.633  -8.813
  238    HE1  HIS  26           HE1      HIS  26   9.445   0.080  -7.944
  239    H    LYS  27           H        LYS  27   6.091   6.395  -7.872
  240    HA   LYS  27           HA       LYS  27   6.363   8.814  -9.629
  241   1HB   LYS  27          2HB       LYS  27   4.459   7.222 -10.157
  242   2HB   LYS  27          3HB       LYS  27   3.822   7.509  -8.559
  243   1HG   LYS  27          2HG       LYS  27   3.681  10.031  -9.310
  244   2HG   LYS  27          3HG       LYS  27   3.986   9.402 -10.937
  245   1HD   LYS  27          2HD       LYS  27   2.006   7.890 -10.703
  246   2HD   LYS  27          3HD       LYS  27   1.733   8.517  -9.068
  247   1HE   LYS  27          2HE       LYS  27   1.524  10.836 -10.091
  248   2HE   LYS  27          3HE       LYS  27   1.537  10.060 -11.684
  249   1HZ   LYS  27          1HZ       LYS  27  -0.434   9.636  -9.501
  250   2HZ   LYS  27          2HZ       LYS  27  -0.735  10.369 -10.922
  251   3HZ   LYS  27          3HZ       LYS  27  -0.428   8.740 -10.873
  252    H    VAL  28           H        VAL  28   3.937   9.315  -7.442
  253    HA   VAL  28           HA       VAL  28   5.514  11.018  -5.653
  254    HB   VAL  28           HB       VAL  28   2.671  10.019  -5.337
  255   1HG1  VAL  28          1HG1      VAL  28   4.079  12.395  -4.074
  256   2HG1  VAL  28          2HG1      VAL  28   2.353  12.004  -3.902
  257   3HG1  VAL  28          3HG1      VAL  28   3.572  10.920  -3.232
  258   1HG2  VAL  28          1HG2      VAL  28   2.810  11.261  -7.441
  259   2HG2  VAL  28          2HG2      VAL  28   1.965  12.223  -6.230
  260   3HG2  VAL  28          3HG2      VAL  28   3.660  12.585  -6.617
  261    H    GLY  29           H        GLY  29   4.197   7.754  -5.612
  262   1HA   GLY  29          1HA       GLY  29   6.095   7.053  -3.429
  263   2HA   GLY  29          2HA       GLY  29   4.450   6.396  -3.427
  264    HA   PRO  30           HA       PRO  30   7.456   3.636  -5.787
  265   1HB   PRO  30          2HB       PRO  30   7.287   1.377  -4.227
  266   2HB   PRO  30          3HB       PRO  30   8.355   2.765  -3.863
  267   1HG   PRO  30          2HG       PRO  30   5.594   2.164  -2.757
  268   2HG   PRO  30          3HG       PRO  30   7.093   2.597  -1.864
  269   1HD   PRO  30          2HD       PRO  30   5.221   4.465  -2.479
  270   2HD   PRO  30          3HD       PRO  30   6.945   4.848  -2.499
  271    H    ASN  31           H        ASN  31   6.973   1.059  -6.253
  272    HA   ASN  31           HA       ASN  31   4.369   0.942  -7.665
  273   1HB   ASN  31          2HB       ASN  31   6.597   0.329  -8.773
  274   2HB   ASN  31          3HB       ASN  31   6.691  -1.036  -7.647
  275   1HD2  ASN  31          2HD2      ASN  31   5.566   0.032 -10.682
  276   2HD2  ASN  31          1HD2      ASN  31   4.555  -1.392 -10.978
  277    H    LEU  32           H        LEU  32   2.906  -0.833  -7.170
  278    HA   LEU  32           HA       LEU  32   3.229  -2.048  -4.464
  279   1HB   LEU  32          2HB       LEU  32   0.766  -0.856  -5.763
  280   2HB   LEU  32          3HB       LEU  32   0.821  -1.656  -4.196
  281    HG   LEU  32           HG       LEU  32   2.199   0.957  -4.851
  282   1HD1  LEU  32          1HD1      LEU  32  -0.268   0.176  -3.229
  283   2HD1  LEU  32          2HD1      LEU  32   0.466   1.778  -3.185
  284   3HD1  LEU  32          3HD1      LEU  32  -0.207   1.163  -4.710
  285   1HD2  LEU  32          1HD2      LEU  32   3.489  -0.249  -3.125
  286   2HD2  LEU  32          2HD2      LEU  32   2.596   1.082  -2.386
  287   3HD2  LEU  32          3HD2      LEU  32   1.997  -0.584  -2.226
  288    H    HIS  33           H        HIS  33   3.360  -3.429  -7.364
  289    HA   HIS  33           HA       HIS  33   1.871  -5.826  -6.460
  290   1HB   HIS  33          2HB       HIS  33   2.233  -6.862  -8.396
  291   2HB   HIS  33          3HB       HIS  33   1.899  -5.257  -8.992
  292    HD1  HIS  33           HD1      HIS  33   4.668  -3.925  -9.236
  293    HD2  HIS  33           HD2      HIS  33   4.021  -8.059  -9.711
  294    HE1  HIS  33           HE1      HIS  33   6.602  -4.847 -10.667
  295    H    GLY  34           H        GLY  34   3.169  -7.544  -6.068
  296   1HA   GLY  34          1HA       GLY  34   5.022  -8.804  -5.292
  297   2HA   GLY  34          2HA       GLY  34   6.075  -7.570  -5.967
  298    H    ILE  35           H        ILE  35   4.067  -5.928  -3.829
  299    HA   ILE  35           HA       ILE  35   6.189  -5.628  -1.900
  300    HB   ILE  35           HB       ILE  35   4.743  -4.086  -0.716
  301   1HG1  ILE  35          2HG1      ILE  35   2.538  -3.463  -2.104
  302   2HG1  ILE  35          3HG1      ILE  35   2.525  -5.184  -2.461
  303   1HG2  ILE  35          1HG2      ILE  35   4.687  -3.681  -3.734
  304   2HG2  ILE  35          2HG2      ILE  35   4.624  -2.424  -2.472
  305   3HG2  ILE  35          3HG2      ILE  35   6.073  -3.400  -2.660
  306   1HD1  ILE  35          1HD1      ILE  35   2.570  -3.910   0.322
  307   2HD1  ILE  35          2HD1      ILE  35   1.150  -4.599  -0.487
  308   3HD1  ILE  35          3HD1      ILE  35   2.480  -5.653   0.009
  309    H    PHE  36           H        PHE  36   3.418  -7.735  -1.914
  310    HA   PHE  36           HA       PHE  36   3.207  -8.227   0.890
  311   1HB   PHE  36          2HB       PHE  36   2.272  -9.730  -1.578
  312   2HB   PHE  36          3HB       PHE  36   2.014 -10.329   0.057
  313    HD1  PHE  36           HD1      PHE  36   0.891  -7.890  -2.427
  314    HD2  PHE  36           HD2      PHE  36   0.739  -8.975   1.743
  315    HE1  PHE  36           HE1      PHE  36  -1.025  -6.359  -2.098
  316    HE2  PHE  36           HE2      PHE  36  -1.173  -7.451   2.077
  317    HZ   PHE  36           HZ       PHE  36  -2.092  -6.167   0.171
  318    H    GLY  37           H        GLY  37   4.076  -9.632   2.095
  319   1HA   GLY  37          1HA       GLY  37   5.736 -11.051   3.023
  320   2HA   GLY  37          2HA       GLY  37   5.969 -11.756   1.429
  321    H    ARG  38           H        ARG  38   6.487  -8.642   0.745
  322    HA   ARG  38           HA       ARG  38   9.380  -8.606   1.317
  323   1HB   ARG  38          2HB       ARG  38   7.980  -7.726  -0.894
  324   2HB   ARG  38          3HB       ARG  38   7.962  -6.259   0.069
  325   1HG   ARG  38          2HG       ARG  38   9.835  -6.021  -1.298
  326   2HG   ARG  38          3HG       ARG  38  10.512  -6.509   0.257
  327   1HD   ARG  38          2HD       ARG  38  10.460  -8.917  -0.668
  328   2HD   ARG  38          3HD       ARG  38  10.108  -8.188  -2.243
  329    HE   ARG  38           HE       ARG  38  12.494  -7.259  -0.682
  330   1HH1  ARG  38          1HH2      ARG  38  11.489  -8.826  -3.649
  331   2HH1  ARG  38          2HH2      ARG  38  13.034  -8.538  -4.391
  332   1HH2  ARG  38          1HH1      ARG  38  14.281  -6.956  -1.564
  333   2HH2  ARG  38          2HH1      ARG  38  14.664  -7.504  -3.189
  334    H    HIS  39           H        HIS  39   9.970  -6.146   1.944
  335    HA   HIS  39           HA       HIS  39   8.626  -5.718   4.564
  336   1HB   HIS  39          2HB       HIS  39  11.578  -5.819   3.974
  337   2HB   HIS  39          3HB       HIS  39  10.859  -5.212   5.463
  338    HD1  HIS  39           HD1      HIS  39  10.525  -8.628   3.522
  339    HD2  HIS  39           HD2      HIS  39  10.671  -6.867   7.329
  340    HE1  HIS  39           HE1      HIS  39  10.408 -10.540   5.181
  341    H    SER  40           H        SER  40   8.107  -3.634   4.973
  342    HA   SER  40           HA       SER  40   7.796  -1.748   3.088
  343   1HB   SER  40          2HB       SER  40   7.502  -0.104   4.914
  344   2HB   SER  40          3HB       SER  40   6.836  -1.686   5.387
  345    HG   SER  40           HG       SER  40   9.439  -0.747   5.995
  346    H    GLY  41           H        GLY  41   9.054  -0.516   1.854
  347   1HA   GLY  41          1HA       GLY  41  10.861   1.100   1.487
  348   2HA   GLY  41          2HA       GLY  41  11.741   0.452   2.849
  349    H    GLN  42           H        GLN  42  10.418  -1.610   0.284
  350    HA   GLN  42           HA       GLN  42  13.192  -2.027  -0.760
  351   1HB   GLN  42          2HB       GLN  42  11.155  -4.131   0.025
  352   2HB   GLN  42          3HB       GLN  42  12.547  -4.457  -1.006
  353   1HG   GLN  42          2HG       GLN  42  13.992  -3.398   0.843
  354   2HG   GLN  42          3HG       GLN  42  12.589  -3.560   1.890
  355   1HE2  GLN  42          2HE2      GLN  42  13.636  -5.163   3.305
  356   2HE2  GLN  42          1HE2      GLN  42  13.997  -6.761   2.662
  357    H    ALA  43           H        ALA  43  10.773  -0.468  -1.975
  358    HA   ALA  43           HA       ALA  43  10.731  -1.707  -4.633
  359   1HB   ALA  43          1HB       ALA  43  10.153   1.160  -3.802
  360   2HB   ALA  43          2HB       ALA  43   9.868   0.445  -5.399
  361   3HB   ALA  43          3HB       ALA  43   8.963  -0.158  -3.996
  362    H    GLU  44           H        GLU  44  12.427  -1.910  -5.772
  363    HA   GLU  44           HA       GLU  44  14.830  -1.850  -4.737
  364   1HB   GLU  44          2HB       GLU  44  14.180  -1.833  -7.701
  365   2HB   GLU  44          3HB       GLU  44  15.674  -2.476  -6.995
  366   1HG   GLU  44          2HG       GLU  44  14.430  -4.190  -5.777
  367   2HG   GLU  44          3HG       GLU  44  12.883  -3.507  -6.275
  368    H    GLY  45           H        GLY  45  14.062   0.532  -7.290
  369   1HA   GLY  45          1HA       GLY  45  16.763   1.750  -6.948
  370   2HA   GLY  45          2HA       GLY  45  15.683   1.962  -8.323
  371    H    TYR  46           H        TYR  46  14.325   2.351  -5.106
  372    HA   TYR  46           HA       TYR  46  14.013   5.284  -5.650
  373   1HB   TYR  46          2HB       TYR  46  12.230   3.878  -6.552
  374   2HB   TYR  46          3HB       TYR  46  11.870   3.282  -4.945
  375    HD1  TYR  46           HD1      TYR  46  11.433   6.006  -7.340
  376    HD2  TYR  46           HD2      TYR  46  11.172   4.953  -3.194
  377    HE1  TYR  46           HE1      TYR  46   9.684   7.762  -7.028
  378    HE2  TYR  46           HE2      TYR  46   9.365   6.698  -2.866
  379    HH   TYR  46           HH       TYR  46   8.135   8.654  -5.599
  380    H    SER  47           H        SER  47  14.275   6.610  -4.038
  381    HA   SER  47           HA       SER  47  15.081   5.565  -1.432
  382   1HB   SER  47          2HB       SER  47  15.101   8.370  -2.588
  383   2HB   SER  47          3HB       SER  47  15.703   7.930  -0.972
  384    HG   SER  47           HG       SER  47  17.398   7.826  -2.459
  385    H    TYR  48           H        TYR  48  13.465   4.989  -0.200
  386    HA   TYR  48           HA       TYR  48  11.046   6.392   0.431
  387   1HB   TYR  48          2HB       TYR  48  12.646   4.206   1.800
  388   2HB   TYR  48          3HB       TYR  48  11.082   4.759   2.380
  389    HD1  TYR  48           HD1      TYR  48   9.060   4.056   1.582
  390    HD2  TYR  48           HD2      TYR  48  12.675   3.107  -0.609
  391    HE1  TYR  48           HE1      TYR  48   7.890   2.220   0.425
  392    HE2  TYR  48           HE2      TYR  48  11.459   1.382  -1.855
  393    HH   TYR  48           HH       TYR  48   8.437   0.196  -0.605
  394    H    THR  49           H        THR  49  11.568   6.088   3.429
  395    HA   THR  49           HA       THR  49  13.293   8.413   4.089
  396    HB   THR  49           HB       THR  49  11.608   8.859   5.933
  397    HG1  THR  49           1HG      THR  49   9.732   7.476   4.345
  398   1HG2  THR  49          1HG2      THR  49  10.728   9.170   3.050
  399   2HG2  THR  49          2HG2      THR  49   9.986  10.024   4.419
  400   3HG2  THR  49          3HG2      THR  49  11.688  10.314   4.007
  401    H    ASP  50           H        ASP  50  14.120   8.328   6.273
  402    HA   ASP  50           HA       ASP  50  15.104   5.808   7.062
  403   1HB   ASP  50          2HB       ASP  50  16.049   8.049   7.618
  404   2HB   ASP  50          3HB       ASP  50  14.731   8.291   8.779
  405    H    ALA  51           H        ALA  51  12.325   7.624   8.371
  406    HA   ALA  51           HA       ALA  51  11.526   5.907  10.434
  407   1HB   ALA  51          1HB       ALA  51   9.806   7.623   8.588
  408   2HB   ALA  51          2HB       ALA  51   9.324   7.000  10.181
  409   3HB   ALA  51          3HB       ALA  51  10.639   8.179  10.059
  410    H    ASN  52           H        ASN  52  10.636   5.683   6.964
  411    HA   ASN  52           HA       ASN  52   8.971   3.309   7.256
  412   1HB   ASN  52          2HB       ASN  52   8.674   4.873   5.405
  413   2HB   ASN  52          3HB       ASN  52  10.339   4.639   4.869
  414   1HD2  ASN  52          2HD2      ASN  52  10.896   2.625   3.744
  415   2HD2  ASN  52          1HD2      ASN  52   9.572   1.574   3.256
  416    H    ILE  53           H        ILE  53  12.384   3.828   6.315
  417    HA   ILE  53           HA       ILE  53  12.926   1.071   5.656
  418    HB   ILE  53           HB       ILE  53  14.696   3.368   6.465
  419   1HG1  ILE  53          2HG1      ILE  53  14.351   2.063   3.706
  420   2HG1  ILE  53          3HG1      ILE  53  13.344   3.398   4.228
  421   1HG2  ILE  53          1HG2      ILE  53  15.539   0.638   5.359
  422   2HG2  ILE  53          2HG2      ILE  53  16.622   2.036   5.524
  423   3HG2  ILE  53          3HG2      ILE  53  15.945   1.295   6.961
  424   1HD1  ILE  53          1HD1      ILE  53  16.352   3.499   3.822
  425   2HD1  ILE  53          2HD1      ILE  53  15.091   4.301   2.873
  426   3HD1  ILE  53          3HD1      ILE  53  15.392   4.812   4.545
  427    H    LYS  54           H        LYS  54  13.744   2.926   8.656
  428    HA   LYS  54           HA       LYS  54  14.469   0.547  10.166
  429   1HB   LYS  54          2HB       LYS  54  13.725   3.360  11.069
  430   2HB   LYS  54          3HB       LYS  54  14.379   2.085  12.115
  431   1HG   LYS  54          2HG       LYS  54  16.383   1.927  10.575
  432   2HG   LYS  54          3HG       LYS  54  15.769   3.357   9.724
  433   1HD   LYS  54          2HD       LYS  54  15.782   4.602  11.887
  434   2HD   LYS  54          3HD       LYS  54  16.557   3.212  12.673
  435   1HE   LYS  54          2HE       LYS  54  18.595   3.567  11.620
  436   2HE   LYS  54          3HE       LYS  54  17.809   4.110  10.124
  437   1HZ   LYS  54          1HZ       LYS  54  18.052   5.819  12.523
  438   2HZ   LYS  54          2HZ       LYS  54  18.848   5.981  11.053
  439   3HZ   LYS  54          3HZ       LYS  54  17.250   6.144  11.118
  440    H    LYS  55           H        LYS  55  11.544   1.222   8.984
  441    HA   LYS  55           HA       LYS  55  10.041  -0.002  11.259
  442   1HB   LYS  55          2HB       LYS  55   9.094   1.697   9.368
  443   2HB   LYS  55          3HB       LYS  55   8.864   0.195   8.502
  444   1HG   LYS  55          2HG       LYS  55   6.846   0.354   9.520
  445   2HG   LYS  55          3HG       LYS  55   7.677  -0.602  10.746
  446   1HD   LYS  55          2HD       LYS  55   7.404   2.441  10.784
  447   2HD   LYS  55          3HD       LYS  55   6.291   1.324  11.590
  448   1HE   LYS  55          2HE       LYS  55   8.229   0.495  12.960
  449   2HE   LYS  55          3HE       LYS  55   9.227   1.758  12.210
  450   1HZ   LYS  55          1HZ       LYS  55   6.754   2.226  13.789
  451   2HZ   LYS  55          2HZ       LYS  55   8.296   2.553  14.286
  452   3HZ   LYS  55          3HZ       LYS  55   7.618   3.397  13.040
  453    H    ASN  56           H        ASN  56  11.306  -0.894   8.101
  454    HA   ASN  56           HA       ASN  56  10.793  -2.732   6.806
  455   1HB   ASN  56          2HB       ASN  56  13.058  -3.117   8.605
  456   2HB   ASN  56          3HB       ASN  56  12.403  -4.658   8.073
  457   1HD2  ASN  56          2HD2      ASN  56  13.354  -1.455   6.736
  458   2HD2  ASN  56          1HD2      ASN  56  13.834  -2.174   5.185
  459    H    VAL  57           H        VAL  57   8.579  -2.590   7.522
  460    HA   VAL  57           HA       VAL  57   7.509  -4.814   9.123
  461    HB   VAL  57           HB       VAL  57   6.551  -2.255   8.043
  462   1HG1  VAL  57          1HG1      VAL  57   4.627  -4.590   7.881
  463   2HG1  VAL  57          2HG1      VAL  57   4.145  -2.880   7.996
  464   3HG1  VAL  57          3HG1      VAL  57   5.062  -3.438   6.606
  465   1HG2  VAL  57          1HG2      VAL  57   6.878  -2.847  10.427
  466   2HG2  VAL  57          2HG2      VAL  57   5.226  -2.325  10.051
  467   3HG2  VAL  57          3HG2      VAL  57   5.571  -4.045  10.296
  468    H    LEU  58           H        LEU  58   7.354  -6.697   8.406
  469    HA   LEU  58           HA       LEU  58   7.326  -7.513   5.641
  470   1HB   LEU  58          2HB       LEU  58   8.031  -8.884   7.665
  471   2HB   LEU  58          3HB       LEU  58   6.325  -9.146   8.001
  472    HG   LEU  58           HG       LEU  58   7.632  -9.837   5.316
  473   1HD1  LEU  58          1HD1      LEU  58   7.126 -11.672   7.689
  474   2HD1  LEU  58          2HD1      LEU  58   7.808 -12.135   6.111
  475   3HD1  LEU  58          3HD1      LEU  58   8.722 -11.066   7.191
  476   1HD2  LEU  58          1HD2      LEU  58   5.215  -9.806   5.094
  477   2HD2  LEU  58          2HD2      LEU  58   5.691 -11.499   5.239
  478   3HD2  LEU  58          3HD2      LEU  58   5.000 -10.658   6.635
  479    H    TRP  59           H        TRP  59   5.788  -6.860   4.384
  480    HA   TRP  59           HA       TRP  59   3.149  -6.098   5.172
  481   1HB   TRP  59          2HB       TRP  59   4.316  -6.709   2.443
  482   2HB   TRP  59          3HB       TRP  59   2.730  -5.999   2.695
  483    HD1  TRP  59           HD1      TRP  59   5.969  -4.861   1.679
  484    HE1  TRP  59           HE1      TRP  59   6.111  -2.408   1.854
  485    HE3  TRP  59           HE3      TRP  59   2.247  -4.098   5.134
  486    HZ2  TRP  59           HZ2      TRP  59   5.249  -0.357   3.743
  487    HZ3  TRP  59           HZ3      TRP  59   1.957  -1.859   6.139
  488    HH2  TRP  59           HH2      TRP  59   3.454   0.031   5.485
  489    H    ASP  60           H        ASP  60   2.272  -7.855   6.297
  490    HA   ASP  60           HA       ASP  60   1.155 -10.153   4.813
  491   1HB   ASP  60          2HB       ASP  60   0.074  -8.930   7.371
  492   2HB   ASP  60          3HB       ASP  60  -0.140 -10.580   6.802
  493    H    GLU  61           H        GLU  61  -1.346 -10.340   4.605
  494    HA   GLU  61           HA       GLU  61  -2.765  -8.052   3.587
  495   1HB   GLU  61          2HB       GLU  61  -3.841 -10.587   4.882
  496   2HB   GLU  61          3HB       GLU  61  -4.837  -9.318   4.157
  497   1HG   GLU  61          2HG       GLU  61  -3.441  -9.691   2.008
  498   2HG   GLU  61          3HG       GLU  61  -2.920 -11.197   2.757
  499    H    ASN  62           H        ASN  62  -2.861  -9.471   6.913
  500    HA   ASN  62           HA       ASN  62  -4.440  -7.479   8.111
  501   1HB   ASN  62          2HB       ASN  62  -2.220  -9.274   9.198
  502   2HB   ASN  62          3HB       ASN  62  -3.226  -8.254  10.218
  503   1HD2  ASN  62          2HD2      ASN  62  -5.722  -8.629  10.019
  504   2HD2  ASN  62          1HD2      ASN  62  -6.099 -10.333   9.734
  505    H    ASN  63           H        ASN  63  -0.851  -7.587   8.055
  506    HA   ASN  63           HA       ASN  63  -0.416  -5.259   9.590
  507   1HB   ASN  63          2HB       ASN  63   1.136  -7.199   8.943
  508   2HB   ASN  63          3HB       ASN  63   1.453  -6.346   7.431
  509   1HD2  ASN  63          2HD2      ASN  63   3.376  -7.077   9.415
  510   2HD2  ASN  63          1HD2      ASN  63   3.996  -5.557  10.084
  511    H    MET  64           H        MET  64  -0.507  -5.553   5.978
  512    HA   MET  64           HA       MET  64  -0.073  -2.728   5.610
  513   1HB   MET  64          2HB       MET  64   0.230  -4.639   3.879
  514   2HB   MET  64          3HB       MET  64  -1.496  -4.502   3.615
  515   1HG   MET  64          2HG       MET  64  -0.022  -1.905   3.612
  516   2HG   MET  64          3HG       MET  64   0.487  -3.027   2.363
  517   1HE   MET  64          1HE       MET  64  -1.202  -4.386   1.024
  518   2HE   MET  64          2HE       MET  64  -2.405  -3.507   0.044
  519   3HE   MET  64          3HE       MET  64  -0.683  -3.043  -0.011
  520    H    SER  65           H        SER  65  -3.045  -4.613   6.157
  521    HA   SER  65           HA       SER  65  -4.928  -2.526   5.653
  522   1HB   SER  65          2HB       SER  65  -5.035  -5.154   6.701
  523   2HB   SER  65          3HB       SER  65  -5.628  -4.130   8.013
  524    HG   SER  65           HG       SER  65  -6.651  -4.640   5.490
  525    H    GLU  66           H        GLU  66  -3.150  -3.312   8.668
  526    HA   GLU  66           HA       GLU  66  -4.433  -1.097  10.024
  527   1HB   GLU  66          2HB       GLU  66  -3.288  -3.497  10.832
  528   2HB   GLU  66          3HB       GLU  66  -2.086  -2.327  11.370
  529   1HG   GLU  66          2HG       GLU  66  -3.830  -2.814  13.096
  530   2HG   GLU  66          3HG       GLU  66  -3.804  -1.120  12.632
  531    H    TYR  67           H        TYR  67  -1.335  -1.389   8.425
  532    HA   TYR  67           HA       TYR  67  -0.380   1.301   8.999
  533   1HB   TYR  67          2HB       TYR  67   1.007  -0.354   7.841
  534   2HB   TYR  67          3HB       TYR  67  -0.155  -0.478   6.534
  535    HD1  TYR  67           HD1      TYR  67   0.455   0.620   4.522
  536    HD2  TYR  67           HD2      TYR  67   1.754   2.186   8.303
  537    HE1  TYR  67           HE1      TYR  67   1.711   2.393   3.334
  538    HE2  TYR  67           HE2      TYR  67   2.953   4.058   7.101
  539    HH   TYR  67           HH       TYR  67   2.990   4.240   3.572
  540    H    LEU  68           H        LEU  68  -2.687   0.048   6.473
  541    HA   LEU  68           HA       LEU  68  -3.372   2.678   5.556
  542   1HB   LEU  68          2HB       LEU  68  -4.826   0.023   5.381
  543   2HB   LEU  68          3HB       LEU  68  -5.463   1.498   4.684
  544    HG   LEU  68           HG       LEU  68  -2.791   0.263   3.914
  545   1HD1  LEU  68          1HD1      LEU  68  -5.508   0.243   2.519
  546   2HD1  LEU  68          2HD1      LEU  68  -3.993  -0.402   1.860
  547   3HD1  LEU  68          3HD1      LEU  68  -4.708  -1.154   3.287
  548   1HD2  LEU  68          1HD2      LEU  68  -2.856   2.689   3.485
  549   2HD2  LEU  68          2HD2      LEU  68  -2.949   1.779   1.986
  550   3HD2  LEU  68          3HD2      LEU  68  -4.425   2.516   2.663
  551    H    THR  69           H        THR  69  -4.429   1.108   8.519
  552    HA   THR  69           HA       THR  69  -6.785   2.703   8.913
  553    HB   THR  69           HB       THR  69  -4.948   1.500  10.927
  554    HG1  THR  69           1HG      THR  69  -6.430  -0.072  10.900
  555   1HG2  THR  69          1HG2      THR  69  -7.730   2.671  11.299
  556   2HG2  THR  69          2HG2      THR  69  -6.889   1.638  12.478
  557   3HG2  THR  69          3HG2      THR  69  -6.241   3.243  12.102
  558    H    ASN  70           H        ASN  70  -3.382   3.382   9.712
  559    HA   ASN  70           HA       ASN  70  -3.840   6.187   9.310
  560   1HB   ASN  70          2HB       ASN  70  -4.683   5.899  11.683
  561   2HB   ASN  70          3HB       ASN  70  -3.034   5.500  12.155
  562   1HD2  ASN  70          2HD2      ASN  70  -5.043   7.963  12.466
  563   2HD2  ASN  70          1HD2      ASN  70  -3.948   9.287  12.059
  564    HA   PRO  71           HA       PRO  71   0.210   4.296   8.254
  565   1HB   PRO  71          2HB       PRO  71   0.831   5.808   6.030
  566   2HB   PRO  71          3HB       PRO  71  -0.328   4.443   6.004
  567   1HG   PRO  71          2HG       PRO  71  -0.952   7.399   6.303
  568   2HG   PRO  71          3HG       PRO  71  -1.690   6.226   5.184
  569   1HD   PRO  71          2HD       PRO  71  -2.892   6.842   7.505
  570   2HD   PRO  71          3HD       PRO  71  -2.880   5.144   6.937
  571    H    LYS  72           H        LYS  72  -0.491   7.690   8.442
  572    HA   LYS  72           HA       LYS  72   2.199   8.672   8.826
  573   1HB   LYS  72          2HB       LYS  72   0.087   9.820   7.893
  574   2HB   LYS  72          3HB       LYS  72  -0.410  10.058   9.572
  575   1HG   LYS  72          2HG       LYS  72   1.584  11.416  10.004
  576   2HG   LYS  72          3HG       LYS  72   2.242  11.050   8.400
  577   1HD   LYS  72          2HD       LYS  72  -0.421  12.457   8.857
  578   2HD   LYS  72          3HD       LYS  72   1.105  13.319   8.639
  579   1HE   LYS  72          2HE       LYS  72   1.150  13.024   6.412
  580   2HE   LYS  72          3HE       LYS  72   0.708  11.318   6.515
  581   1HZ   LYS  72          1HZ       LYS  72  -1.326  13.449   6.850
  582   2HZ   LYS  72          2HZ       LYS  72  -0.972  12.804   5.382
  583   3HZ   LYS  72          3HZ       LYS  72  -1.555  11.835   6.507
  584    H    LYS  73           H        LYS  73  -0.242   7.534  11.077
  585    HA   LYS  73           HA       LYS  73   1.421   8.289  13.403
  586   1HB   LYS  73          2HB       LYS  73  -1.087   8.346  13.398
  587   2HB   LYS  73          3HB       LYS  73  -1.114   6.583  13.366
  588   1HG   LYS  73          2HG       LYS  73   0.411   8.126  15.497
  589   2HG   LYS  73          3HG       LYS  73  -1.326   7.937  15.626
  590   1HD   LYS  73          2HD       LYS  73  -1.273   5.731  16.142
  591   2HD   LYS  73          3HD       LYS  73   0.129   5.369  15.160
  592   1HE   LYS  73          2HE       LYS  73   0.182   6.786  17.862
  593   2HE   LYS  73          3HE       LYS  73   0.581   5.089  17.563
  594   1HZ   LYS  73          1HZ       LYS  73   2.067   7.457  16.594
  595   2HZ   LYS  73          2HZ       LYS  73   2.631   6.264  17.578
  596   3HZ   LYS  73          3HZ       LYS  73   2.319   5.984  15.968
  597    H    TYR  74           H        TYR  74   0.763   5.274  11.537
  598    HA   TYR  74           HA       TYR  74   2.233   3.492  13.197
  599   1HB   TYR  74          2HB       TYR  74   0.573   3.134  11.257
  600   2HB   TYR  74          3HB       TYR  74   1.910   3.422  10.175
  601    HD1  TYR  74           HD1      TYR  74   4.153   1.852  11.112
  602    HD2  TYR  74           HD2      TYR  74  -0.067   0.926  11.337
  603    HE1  TYR  74           HE1      TYR  74   4.680  -0.566  11.252
  604    HE2  TYR  74           HE2      TYR  74   0.494  -1.493  11.372
  605    HH   TYR  74           HH       TYR  74   2.477  -2.999  10.633
  606    H    ILE  75           H        ILE  75   3.202   5.385  10.334
  607    HA   ILE  75           HA       ILE  75   6.088   5.145  11.035
  608    HB   ILE  75           HB       ILE  75   4.958   5.474   8.248
  609   1HG1  ILE  75          2HG1      ILE  75   5.627   2.892   9.672
  610   2HG1  ILE  75          3HG1      ILE  75   4.113   3.346   8.931
  611   1HG2  ILE  75          1HG2      ILE  75   7.670   4.512   9.276
  612   2HG2  ILE  75          2HG2      ILE  75   7.247   4.906   7.597
  613   3HG2  ILE  75          3HG2      ILE  75   7.348   6.192   8.785
  614   1HD1  ILE  75          1HD1      ILE  75   6.700   2.611   7.518
  615   2HD1  ILE  75          2HD1      ILE  75   5.140   1.781   7.469
  616   3HD1  ILE  75          3HD1      ILE  75   5.320   3.363   6.681
  617    HA   PRO  76           HA       PRO  76   4.892   9.641  11.228
  618   1HB   PRO  76          2HB       PRO  76   6.311  10.314  13.464
  619   2HB   PRO  76          3HB       PRO  76   4.671   9.598  13.522
  620   1HG   PRO  76          2HG       PRO  76   7.333   8.182  13.842
  621   2HG   PRO  76          3HG       PRO  76   5.868   8.029  14.860
  622   1HD   PRO  76          2HD       PRO  76   6.466   6.248  12.878
  623   2HD   PRO  76          3HD       PRO  76   4.777   6.699  13.252
  624    H    GLY  77           H        GLY  77   5.981  10.189   9.411
  625   1HA   GLY  77          1HA       GLY  77   8.071  11.463   8.715
  626   2HA   GLY  77          2HA       GLY  77   8.986  10.121   9.383
  627    H    THR  78           H        THR  78   6.393   8.567   8.025
  628    HA   THR  78           HA       THR  78   7.617   7.793   5.519
  629    HB   THR  78           HB       THR  78   5.844   6.478   6.592
  630    HG1  THR  78           1HG      THR  78   4.894   5.904   4.760
  631   1HG2  THR  78          1HG2      THR  78   3.781   8.488   5.601
  632   2HG2  THR  78          2HG2      THR  78   3.519   7.024   6.568
  633   3HG2  THR  78          3HG2      THR  78   4.310   8.445   7.272
  634    H    LYS  79           H        LYS  79   7.413   8.667   3.454
  635    HA   LYS  79           HA       LYS  79   6.271  11.360   3.138
  636   1HB   LYS  79          2HB       LYS  79   7.010   9.362   0.975
  637   2HB   LYS  79          3HB       LYS  79   6.575  11.059   0.723
  638   1HG   LYS  79          2HG       LYS  79   8.595  11.616   2.240
  639   2HG   LYS  79          3HG       LYS  79   9.004   9.905   2.050
  640   1HD   LYS  79          2HD       LYS  79   8.588  10.600  -0.585
  641   2HD   LYS  79          3HD       LYS  79   9.131  12.142   0.077
  642   1HE   LYS  79          2HE       LYS  79  11.123  11.100  -0.643
  643   2HE   LYS  79          3HE       LYS  79  11.104  10.808   1.106
  644   1HZ   LYS  79          1HZ       LYS  79  10.268   8.885  -0.998
  645   2HZ   LYS  79          2HZ       LYS  79  11.611   8.755  -0.089
  646   3HZ   LYS  79          3HZ       LYS  79  10.092   8.579   0.568
  647    H    MET  80           H        MET  80   4.628   8.382   3.472
  648    HA   MET  80           HA       MET  80   2.538   8.786   1.554
  649   1HB   MET  80          2HB       MET  80   3.128   6.610   2.427
  650   2HB   MET  80          3HB       MET  80   2.603   7.075   4.049
  651   1HG   MET  80          2HG       MET  80   0.410   6.999   3.539
  652   2HG   MET  80          3HG       MET  80   0.616   7.496   1.865
  653   1HE   MET  80          1HE       MET  80  -1.581   5.600   2.021
  654   2HE   MET  80          2HE       MET  80  -1.258   3.859   2.192
  655   3HE   MET  80          3HE       MET  80  -1.059   4.925   3.586
  656    H    ALA  81           H        ALA  81   2.201  10.995   1.835
  657    HA   ALA  81           HA       ALA  81   1.114  12.219   4.058
  658   1HB   ALA  81          1HB       ALA  81   0.745  13.030   1.142
  659   2HB   ALA  81          2HB       ALA  81   0.612  14.104   2.544
  660   3HB   ALA  81          3HB       ALA  81   2.178  13.382   2.134
  661    H    PHE  82           H        PHE  82  -0.421   9.944   2.656
  662    HA   PHE  82           HA       PHE  82  -3.220  10.590   2.458
  663   1HB   PHE  82          2HB       PHE  82  -2.132   8.570   1.502
  664   2HB   PHE  82          3HB       PHE  82  -1.823   7.977   3.131
  665    HD1  PHE  82           HD1      PHE  82  -3.221   6.162   3.691
  666    HD2  PHE  82           HD2      PHE  82  -4.826   9.335   1.237
  667    HE1  PHE  82           HE1      PHE  82  -5.418   5.058   3.716
  668    HE2  PHE  82           HE2      PHE  82  -7.044   8.244   1.310
  669    HZ   PHE  82           HZ       PHE  82  -7.357   6.130   2.579
  670    H    GLY  83           H        GLY  83  -4.866   9.529   3.918
  671   1HA   GLY  83          1HA       GLY  83  -4.470  10.521   6.714
  672   2HA   GLY  83          2HA       GLY  83  -6.004  10.405   5.854
  673    H    GLY  84           H        GLY  84  -6.400   7.956   5.071
  674   1HA   GLY  84          1HA       GLY  84  -5.547   5.654   6.009
  675   2HA   GLY  84          2HA       GLY  84  -6.330   6.245   7.475
  676    H    LEU  85           H        LEU  85  -7.182   3.908   6.269
  677    HA   LEU  85           HA       LEU  85  -9.914   4.539   5.247
  678   1HB   LEU  85          2HB       LEU  85  -8.117   2.121   4.896
  679   2HB   LEU  85          3HB       LEU  85  -9.799   2.195   4.394
  680    HG   LEU  85           HG       LEU  85  -7.493   3.823   3.274
  681   1HD1  LEU  85          1HD1      LEU  85  -9.234   1.613   2.089
  682   2HD1  LEU  85          2HD1      LEU  85  -8.001   2.521   1.202
  683   3HD1  LEU  85          3HD1      LEU  85  -7.524   1.478   2.554
  684   1HD2  LEU  85          1HD2      LEU  85  -9.537   5.197   3.143
  685   2HD2  LEU  85          2HD2      LEU  85  -9.089   4.602   1.543
  686   3HD2  LEU  85          3HD2      LEU  85 -10.430   3.832   2.424
  687    H    LYS  86           H        LYS  86 -10.842   4.840   7.258
  688    HA   LYS  86           HA       LYS  86 -10.734   2.738   9.293
  689   1HB   LYS  86          2HB       LYS  86 -11.114   5.535   9.296
  690   2HB   LYS  86          3HB       LYS  86 -12.649   4.901   9.853
  691   1HG   LYS  86          2HG       LYS  86  -9.892   4.243  11.005
  692   2HG   LYS  86          3HG       LYS  86 -11.039   5.410  11.672
  693   1HD   LYS  86          2HD       LYS  86 -12.675   3.550  12.077
  694   2HD   LYS  86          3HD       LYS  86 -11.492   2.403  11.444
  695   1HE   LYS  86          2HE       LYS  86 -11.321   2.263  13.792
  696   2HE   LYS  86          3HE       LYS  86  -9.877   3.101  13.228
  697   1HZ   LYS  86          1HZ       LYS  86 -12.289   4.434  14.362
  698   2HZ   LYS  86          2HZ       LYS  86 -10.902   4.158  15.190
  699   3HZ   LYS  86          3HZ       LYS  86 -10.903   5.197  13.913
  700    H    LYS  87           H        LYS  87 -12.351   2.409   6.654
  701    HA   LYS  87           HA       LYS  87 -14.678   1.036   7.959
  702   1HB   LYS  87          2HB       LYS  87 -14.584   2.480   5.291
  703   2HB   LYS  87          3HB       LYS  87 -15.736   1.188   5.582
  704   1HG   LYS  87          2HG       LYS  87 -15.567   3.673   7.344
  705   2HG   LYS  87          3HG       LYS  87 -16.608   3.519   5.926
  706   1HD   LYS  87          2HD       LYS  87 -17.683   1.494   6.985
  707   2HD   LYS  87          3HD       LYS  87 -16.769   1.850   8.469
  708   1HE   LYS  87          2HE       LYS  87 -17.822   4.096   8.579
  709   2HE   LYS  87          3HE       LYS  87 -18.682   3.779   7.071
  710   1HZ   LYS  87          1HZ       LYS  87 -19.088   2.318   9.627
  711   2HZ   LYS  87          2HZ       LYS  87 -20.128   3.374   8.934
  712   3HZ   LYS  87          3HZ       LYS  87 -19.832   1.938   8.209
  713    H    GLU  88           H        GLU  88 -13.985  -0.938   8.226
  714    HA   GLU  88           HA       GLU  88 -12.009  -2.240   6.801
  715   1HB   GLU  88          2HB       GLU  88 -13.379  -2.907   8.987
  716   2HB   GLU  88          3HB       GLU  88 -14.286  -3.901   7.846
  717   1HG   GLU  88          2HG       GLU  88 -11.942  -4.722   7.023
  718   2HG   GLU  88          3HG       GLU  88 -11.304  -3.979   8.483
  719    H    LYS  89           H        LYS  89 -15.499  -2.196   5.886
  720    HA   LYS  89           HA       LYS  89 -15.392  -4.162   3.903
  721   1HB   LYS  89          2HB       LYS  89 -17.324  -3.190   2.982
  722   2HB   LYS  89          3HB       LYS  89 -17.465  -3.191   4.724
  723   1HG   LYS  89          2HG       LYS  89 -17.645  -0.941   4.878
  724   2HG   LYS  89          3HG       LYS  89 -16.560  -0.574   3.557
  725   1HD   LYS  89          2HD       LYS  89 -19.196  -1.884   2.878
  726   2HD   LYS  89          3HD       LYS  89 -19.215  -0.216   3.401
  727   1HE   LYS  89          2HE       LYS  89 -19.172  -0.609   0.900
  728   2HE   LYS  89          3HE       LYS  89 -18.064   0.594   1.558
  729   1HZ   LYS  89          1HZ       LYS  89 -17.059  -2.136   0.955
  730   2HZ   LYS  89          2HZ       LYS  89 -17.100  -0.898  -0.129
  731   3HZ   LYS  89          3HZ       LYS  89 -16.256  -0.678   1.181
  732    H    ASP  90           H        ASP  90 -14.423  -0.824   3.570
  733    HA   ASP  90           HA       ASP  90 -13.841  -0.967   0.697
  734   1HB   ASP  90          2HB       ASP  90 -13.504   1.056   2.901
  735   2HB   ASP  90          3HB       ASP  90 -12.360   1.104   1.578
  736    H    ARG  91           H        ARG  91 -11.879  -1.090   3.745
  737    HA   ARG  91           HA       ARG  91  -9.391  -1.666   2.433
  738   1HB   ARG  91          2HB       ARG  91 -10.324  -2.451   5.236
  739   2HB   ARG  91          3HB       ARG  91  -8.728  -2.800   4.585
  740   1HG   ARG  91          2HG       ARG  91  -8.764  -0.181   4.047
  741   2HG   ARG  91          3HG       ARG  91  -9.863  -0.145   5.422
  742   1HD   ARG  91          2HD       ARG  91  -7.182  -1.591   5.622
  743   2HD   ARG  91          3HD       ARG  91  -7.220   0.152   5.629
  744    HE   ARG  91           HE       ARG  91  -7.839   0.181   7.785
  745   1HH1  ARG  91          1HH2      ARG  91  -8.272  -3.126   6.852
  746   2HH1  ARG  91          2HH2      ARG  91  -8.984  -3.555   8.364
  747   1HH2  ARG  91          1HH1      ARG  91  -7.911  -0.630   9.734
  748   2HH2  ARG  91          2HH1      ARG  91  -8.309  -2.251  10.063
  749    H    ASN  92           H        ASN  92 -11.899  -3.993   3.413
  750    HA   ASN  92           HA       ASN  92 -10.345  -6.267   2.693
  751   1HB   ASN  92          2HB       ASN  92 -13.356  -5.935   2.960
  752   2HB   ASN  92          3HB       ASN  92 -12.501  -7.490   2.792
  753   1HD2  ASN  92          2HD2      ASN  92 -14.107  -6.946   5.034
  754   2HD2  ASN  92          1HD2      ASN  92 -13.023  -6.795   6.440
  755    H    ASP  93           H        ASP  93 -12.760  -4.467   0.725
  756    HA   ASP  93           HA       ASP  93 -12.441  -6.043  -1.694
  757   1HB   ASP  93          2HB       ASP  93 -13.530  -3.307  -1.013
  758   2HB   ASP  93          3HB       ASP  93 -13.068  -3.619  -2.672
  759    H    LEU  94           H        LEU  94 -10.864  -3.060  -0.566
  760    HA   LEU  94           HA       LEU  94  -9.108  -2.588  -2.744
  761   1HB   LEU  94          2HB       LEU  94  -9.780  -1.132  -0.665
  762   2HB   LEU  94          3HB       LEU  94  -8.437  -1.916   0.137
  763    HG   LEU  94           HG       LEU  94  -7.730   0.210  -0.568
  764   1HD1  LEU  94          1HD1      LEU  94  -6.617  -1.509  -2.801
  765   2HD1  LEU  94          2HD1      LEU  94  -5.903  -0.066  -2.065
  766   3HD1  LEU  94          3HD1      LEU  94  -6.049  -1.555  -1.111
  767   1HD2  LEU  94          1HD2      LEU  94  -9.503   0.699  -2.138
  768   2HD2  LEU  94          2HD2      LEU  94  -7.930   1.095  -2.832
  769   3HD2  LEU  94          3HD2      LEU  94  -8.778  -0.384  -3.352
  770    H    ILE  95           H        ILE  95  -8.474  -4.420   0.300
  771    HA   ILE  95           HA       ILE  95  -5.881  -5.333  -0.551
  772    HB   ILE  95           HB       ILE  95  -7.801  -6.137   1.641
  773   1HG1  ILE  95          2HG1      ILE  95  -4.939  -5.025   1.637
  774   2HG1  ILE  95          3HG1      ILE  95  -6.370  -4.000   1.666
  775   1HG2  ILE  95          1HG2      ILE  95  -5.130  -7.477   1.014
  776   2HG2  ILE  95          2HG2      ILE  95  -6.070  -7.691   2.510
  777   3HG2  ILE  95          3HG2      ILE  95  -6.734  -8.233   1.000
  778   1HD1  ILE  95          1HD1      ILE  95  -5.563  -5.966   3.831
  779   2HD1  ILE  95          2HD1      ILE  95  -5.522  -4.198   3.883
  780   3HD1  ILE  95          3HD1      ILE  95  -7.088  -5.047   3.792
  781    H    THR  96           H        THR  96  -9.137  -6.914  -0.784
  782    HA   THR  96           HA       THR  96  -8.225  -9.291  -2.013
  783    HB   THR  96           HB       THR  96 -10.794  -7.843  -2.789
  784    HG1  THR  96           1HG      THR  96 -10.700  -8.285  -0.562
  785   1HG2  THR  96          1HG2      THR  96  -9.982 -10.787  -2.923
  786   2HG2  THR  96          2HG2      THR  96 -11.592 -10.143  -3.290
  787   3HG2  THR  96          3HG2      THR  96 -10.222  -9.716  -4.322
  788    H    TYR  97           H        TYR  97  -8.716  -6.120  -3.531
  789    HA   TYR  97           HA       TYR  97  -7.755  -6.901  -6.168
  790   1HB   TYR  97          2HB       TYR  97  -8.943  -4.899  -6.025
  791   2HB   TYR  97          3HB       TYR  97  -7.950  -4.256  -4.728
  792    HD1  TYR  97           HD1      TYR  97  -7.660  -5.456  -8.273
  793    HD2  TYR  97           HD2      TYR  97  -6.202  -2.758  -5.238
  794    HE1  TYR  97           HE1      TYR  97  -6.153  -4.414  -9.934
  795    HE2  TYR  97           HE2      TYR  97  -4.675  -1.717  -6.917
  796    HH   TYR  97           HH       TYR  97  -4.383  -3.017 -10.196
  797    H    LEU  98           H        LEU  98  -5.912  -5.119  -3.556
  798    HA   LEU  98           HA       LEU  98  -3.558  -5.218  -5.091
  799   1HB   LEU  98          2HB       LEU  98  -4.486  -4.232  -2.506
  800   2HB   LEU  98          3HB       LEU  98  -2.896  -4.893  -2.326
  801    HG   LEU  98           HG       LEU  98  -3.581  -2.970  -4.590
  802   1HD1  LEU  98          1HD1      LEU  98  -2.441  -2.187  -1.886
  803   2HD1  LEU  98          2HD1      LEU  98  -2.740  -1.128  -3.280
  804   3HD1  LEU  98          3HD1      LEU  98  -4.099  -1.879  -2.433
  805   1HD2  LEU  98          1HD2      LEU  98  -1.422  -4.269  -4.744
  806   2HD2  LEU  98          2HD2      LEU  98  -1.200  -2.526  -4.640
  807   3HD2  LEU  98          3HD2      LEU  98  -0.916  -3.556  -3.209
  808    H    LYS  99           H        LYS  99  -4.716  -7.533  -2.741
  809    HA   LYS  99           HA       LYS  99  -2.477  -9.327  -2.721
  810   1HB   LYS  99          2HB       LYS  99  -4.722  -9.321  -1.363
  811   2HB   LYS  99          3HB       LYS  99  -5.365 -10.272  -2.691
  812   1HG   LYS  99          2HG       LYS  99  -2.989 -10.892  -0.877
  813   2HG   LYS  99          3HG       LYS  99  -4.583 -11.624  -0.782
  814   1HD   LYS  99          2HD       LYS  99  -2.587 -12.010  -3.046
  815   2HD   LYS  99          3HD       LYS  99  -2.925 -13.129  -1.736
  816   1HE   LYS  99          2HE       LYS  99  -5.208 -13.442  -2.444
  817   2HE   LYS  99          3HE       LYS  99  -5.050 -12.236  -3.739
  818   1HZ   LYS  99          1HZ       LYS  99  -3.229 -14.535  -3.634
  819   2HZ   LYS  99          2HZ       LYS  99  -4.707 -14.751  -4.312
  820   3HZ   LYS  99          3HZ       LYS  99  -3.628 -13.678  -4.952
  821    H    LYS 100           H        LYS 100  -5.290  -9.180  -4.959
  822    HA   LYS 100           HA       LYS 100  -4.212 -11.195  -6.792
  823   1HB   LYS 100          2HB       LYS 100  -6.703 -10.197  -6.305
  824   2HB   LYS 100          3HB       LYS 100  -6.328  -9.318  -7.765
  825   1HG   LYS 100          2HG       LYS 100  -6.144 -12.369  -7.479
  826   2HG   LYS 100          3HG       LYS 100  -7.611 -11.515  -7.898
  827   1HD   LYS 100          2HD       LYS 100  -7.030 -12.033  -9.990
  828   2HD   LYS 100          3HD       LYS 100  -6.182 -10.501  -9.878
  829   1HE   LYS 100          2HE       LYS 100  -4.813 -12.186 -10.997
  830   2HE   LYS 100          3HE       LYS 100  -4.050 -11.699  -9.494
  831   1HZ   LYS 100          1HZ       LYS 100  -5.537 -14.247  -9.780
  832   2HZ   LYS 100          2HZ       LYS 100  -3.883 -13.992  -9.676
  833   3HZ   LYS 100          3HZ       LYS 100  -4.706 -13.644  -8.433
  834    H    ALA 101           H        ALA 101  -3.539  -7.882  -6.415
  835    HA   ALA 101           HA       ALA 101  -2.495  -7.476  -9.129
  836   1HB   ALA 101          1HB       ALA 101  -1.783  -5.933  -6.603
  837   2HB   ALA 101          2HB       ALA 101  -1.551  -5.427  -8.270
  838   3HB   ALA 101          3HB       ALA 101  -3.197  -5.584  -7.631
  839    H    THR 102           H        THR 102  -1.298  -9.030  -6.263
  840    HA   THR 102           HA       THR 102   1.447  -9.327  -7.412
  841    HB   THR 102           HB       THR 102   0.426 -10.018  -4.633
  842    HG1  THR 102           1HG      THR 102   0.603  -7.833  -5.008
  843   1HG2  THR 102          1HG2      THR 102   3.227 -10.121  -5.839
  844   2HG2  THR 102          2HG2      THR 102   2.885 -10.149  -4.091
  845   3HG2  THR 102          3HG2      THR 102   2.321 -11.467  -5.126
  846    H    GLU 103           H        GLU 103  -1.419 -11.168  -6.351
  847    HA   GLU 103           HA       GLU 103  -0.301 -13.754  -7.413
  848   1HB   GLU 103          2HB       GLU 103  -1.921 -13.068  -4.979
  849   2HB   GLU 103          3HB       GLU 103  -1.686 -14.731  -5.568
  850   1HG   GLU 103          2HG       GLU 103   0.706 -14.548  -5.009
  851   2HG   GLU 103          3HG       GLU 103   0.421 -12.899  -4.400
  852    HHA  HEC 104           HHA      HEC 104   5.132   3.155   0.711
  853    HHB  HEC 104           HHB      HEC 104  -0.683   0.438  -0.040
  854    HHC  HEC 104           HHC      HEC 104  -3.279   6.297  -1.037
  855    HHD  HEC 104           HHD      HEC 104   2.623   8.835  -1.117
  856   1HMA  HEC 104          1HMA      HEC 104   1.686  -1.147   1.687
  857   2HMA  HEC 104          2HMA      HEC 104   0.791  -1.162   0.149
  858   3HMA  HEC 104          3HMA      HEC 104   2.528  -1.451   0.157
  859   1HAA  HEC 104          1HAA      HEC 104   4.259  -0.494   1.476
  860   2HAA  HEC 104          2HAA      HEC 104   5.075   1.034   1.776
  861   1HBA  HEC 104          1HBA      HEC 104   5.862   1.115  -0.518
  862   2HBA  HEC 104          2HBA      HEC 104   4.874  -0.277  -0.962
  863   1HMB  HEC 104          1HMB      HEC 104  -2.833   0.165  -0.237
  864   2HMB  HEC 104          2HMB      HEC 104  -4.365   1.005  -0.403
  865   3HMB  HEC 104          3HMB      HEC 104  -3.362   0.724  -1.832
  866    HAB  HEC 104           HAB      HEC 104  -4.741   4.925  -1.216
  867   1HBB  HEC 104          1HBB      HEC 104  -5.164   4.149   1.042
  868   2HBB  HEC 104          2HBB      HEC 104  -6.566   4.026  -0.030
  869   3HBB  HEC 104          3HBB      HEC 104  -5.659   2.567   0.405
  870   1HMC  HEC 104          1HMC      HEC 104  -3.411   8.732  -0.862
  871   2HMC  HEC 104          2HMC      HEC 104  -2.587   9.911  -1.884
  872   3HMC  HEC 104          3HMC      HEC 104  -3.106   8.368  -2.571
  873    HAC  HEC 104           HAC      HEC 104   1.331  10.083  -2.116
  874   1HBC  HEC 104          1HBC      HEC 104   0.376  11.050  -0.111
  875   2HBC  HEC 104          2HBC      HEC 104   0.330  12.160  -1.499
  876   3HBC  HEC 104          3HBC      HEC 104  -1.153  11.344  -0.961
  877   1HMD  HEC 104          1HMD      HEC 104   5.061   9.060  -0.044
  878   2HMD  HEC 104          2HMD      HEC 104   6.312   8.139  -0.936
  879   3HMD  HEC 104          3HMD      HEC 104   4.798   8.628  -1.719
  880   1HAD  HEC 104          1HAD      HEC 104   7.125   6.096  -0.368
  881   2HAD  HEC 104          2HAD      HEC 104   6.794   4.632   0.528
  882   1HBD  HEC 104          1HBD      HEC 104   6.771   5.663   2.587
  883   2HBD  HEC 104          2HBD      HEC 104   6.184   7.194   1.946
  Start of MODEL   10
    1   1H    THR  -5          H1        THR  -5  -7.053  -8.248  14.688
    2   2H    THR  -5          H2        THR  -5  -6.929  -9.878  14.749
    3   3H    THR  -5          H3        THR  -5  -7.932  -9.115  15.807
    4    HA   THR  -5           HA       THR  -5  -9.110 -10.220  14.023
    5    HB   THR  -5           HB       THR  -5 -10.322  -8.429  14.928
    6    HG1  THR  -5           1HG      THR  -5 -11.160  -7.503  12.868
    7   1HG2  THR  -5          1HG2      THR  -5  -8.767  -6.437  13.226
    8   2HG2  THR  -5          2HG2      THR  -5 -10.186  -6.096  14.229
    9   3HG2  THR  -5          3HG2      THR  -5  -8.682  -6.595  14.997
   10    H    GLU  -4           H        GLU  -4  -8.660 -11.126  12.172
   11    HA   GLU  -4           HA       GLU  -4  -6.057 -10.301  11.168
   12   1HB   GLU  -4          2HB       GLU  -4  -7.618 -12.876  11.425
   13   2HB   GLU  -4          3HB       GLU  -4  -6.161 -12.820  10.434
   14   1HG   GLU  -4          2HG       GLU  -4  -5.799 -13.585  12.813
   15   2HG   GLU  -4          3HG       GLU  -4  -4.746 -12.300  12.221
   16    H    PHE  -3           H        PHE  -3  -8.016  -8.840  10.106
   17    HA   PHE  -3           HA       PHE  -3  -8.981  -8.007   8.179
   18   1HB   PHE  -3          2HB       PHE  -3  -7.008  -7.664   7.118
   19   2HB   PHE  -3          3HB       PHE  -3  -6.496  -9.319   7.202
   20    HD1  PHE  -3           HD1      PHE  -3  -7.154 -11.010   5.586
   21    HD2  PHE  -3           HD2      PHE  -3  -8.097  -6.833   5.071
   22    HE1  PHE  -3           HE1      PHE  -3  -7.463 -11.380   3.146
   23    HE2  PHE  -3           HE2      PHE  -3  -8.426  -7.237   2.621
   24    HZ   PHE  -3           HZ       PHE  -3  -8.094  -9.489   1.670
   25    H    LYS  -2           H        LYS  -2  -9.788  -9.093   5.808
   26    HA   LYS  -2           HA       LYS  -2 -10.581 -11.807   6.065
   27   1HB   LYS  -2          2HB       LYS  -2 -12.500 -10.193   7.202
   28   2HB   LYS  -2          3HB       LYS  -2 -13.025 -10.131   5.528
   29   1HG   LYS  -2          2HG       LYS  -2 -14.202 -11.938   6.536
   30   2HG   LYS  -2          3HG       LYS  -2 -12.952 -12.708   5.545
   31   1HD   LYS  -2          2HD       LYS  -2 -11.519 -12.939   7.609
   32   2HD   LYS  -2          3HD       LYS  -2 -12.796 -12.206   8.570
   33   1HE   LYS  -2          2HE       LYS  -2 -13.032 -14.792   6.955
   34   2HE   LYS  -2          3HE       LYS  -2 -12.657 -14.711   8.680
   35   1HZ   LYS  -2          1HZ       LYS  -2 -15.163 -13.705   7.462
   36   2HZ   LYS  -2          2HZ       LYS  -2 -15.018 -15.105   8.309
   37   3HZ   LYS  -2          3HZ       LYS  -2 -14.797 -13.658   9.061
   38    H    ALA  -1           H        ALA  -1 -10.341 -12.687   4.128
   39    HA   ALA  -1           HA       ALA  -1  -9.881 -11.187   1.746
   40   1HB   ALA  -1          1HB       ALA  -1 -10.645 -14.119   2.120
   41   2HB   ALA  -1          2HB       ALA  -1  -9.953 -13.401   0.650
   42   3HB   ALA  -1          3HB       ALA  -1  -8.989 -13.450   2.137
   43    H    GLY   1           H        GLY   1 -11.094 -10.849  -0.086
   44   1HA   GLY   1          1HA       GLY   1 -14.031 -11.344  -0.065
   45   2HA   GLY   1          2HA       GLY   1 -13.375  -9.724  -0.355
   46    H    SER   2           H        SER   2 -14.071  -9.516  -2.414
   47    HA   SER   2           HA       SER   2 -12.379 -10.605  -4.452
   48   1HB   SER   2          2HB       SER   2 -14.529 -12.335  -3.959
   49   2HB   SER   2          3HB       SER   2 -15.049 -11.427  -5.381
   50    HG   SER   2           HG       SER   2 -12.700 -12.950  -4.985
   51    H    ALA   3           H        ALA   3 -14.545  -8.193  -3.452
   52    HA   ALA   3           HA       ALA   3 -15.885  -7.742  -5.939
   53   1HB   ALA   3          1HB       ALA   3 -15.575  -5.828  -3.600
   54   2HB   ALA   3          2HB       ALA   3 -16.808  -5.780  -4.871
   55   3HB   ALA   3          3HB       ALA   3 -16.785  -7.120  -3.708
   56    H    LYS   4           H        LYS   4 -14.610  -7.371  -7.647
   57    HA   LYS   4           HA       LYS   4 -12.523  -5.652  -8.164
   58   1HB   LYS   4          2HB       LYS   4 -13.262  -5.515 -10.464
   59   2HB   LYS   4          3HB       LYS   4 -13.513  -7.133  -9.814
   60   1HG   LYS   4          2HG       LYS   4 -15.951  -6.576  -9.470
   61   2HG   LYS   4          3HG       LYS   4 -15.663  -5.001 -10.233
   62   1HD   LYS   4          2HD       LYS   4 -14.934  -6.146 -12.315
   63   2HD   LYS   4          3HD       LYS   4 -15.193  -7.722 -11.533
   64   1HE   LYS   4          2HE       LYS   4 -17.605  -7.118 -11.195
   65   2HE   LYS   4          3HE       LYS   4 -17.333  -5.605 -12.069
   66   1HZ   LYS   4          1HZ       LYS   4 -16.973  -8.328 -13.200
   67   2HZ   LYS   4          2HZ       LYS   4 -18.228  -7.321 -13.522
   68   3HZ   LYS   4          3HZ       LYS   4 -16.716  -6.928 -14.024
   69    H    LYS   5           H        LYS   5 -15.148  -4.475  -6.743
   70    HA   LYS   5           HA       LYS   5 -15.178  -1.652  -7.418
   71   1HB   LYS   5          2HB       LYS   5 -16.800  -2.959  -5.865
   72   2HB   LYS   5          3HB       LYS   5 -15.508  -2.921  -4.679
   73   1HG   LYS   5          2HG       LYS   5 -16.452  -1.018  -3.979
   74   2HG   LYS   5          3HG       LYS   5 -15.651  -0.231  -5.328
   75   1HD   LYS   5          2HD       LYS   5 -18.479  -1.392  -5.380
   76   2HD   LYS   5          3HD       LYS   5 -18.121   0.288  -5.025
   77   1HE   LYS   5          2HE       LYS   5 -17.381  -1.069  -7.653
   78   2HE   LYS   5          3HE       LYS   5 -18.907  -0.221  -7.376
   79   1HZ   LYS   5          1HZ       LYS   5 -16.196   0.975  -7.320
   80   2HZ   LYS   5          2HZ       LYS   5 -17.367   1.286  -8.394
   81   3HZ   LYS   5          3HZ       LYS   5 -17.548   1.790  -6.845
   82    H    GLY   6           H        GLY   6 -13.032  -3.735  -5.418
   83   1HA   GLY   6          1HA       GLY   6 -11.256  -1.937  -4.297
   84   2HA   GLY   6          2HA       GLY   6 -10.813  -3.512  -4.952
   85    H    ALA   7           H        ALA   7 -11.074  -3.183  -7.677
   86    HA   ALA   7           HA       ALA   7  -8.812  -1.661  -8.492
   87   1HB   ALA   7          1HB       ALA   7 -11.183  -2.522 -10.219
   88   2HB   ALA   7          2HB       ALA   7  -9.536  -2.147 -10.758
   89   3HB   ALA   7          3HB       ALA   7  -9.834  -3.578  -9.758
   90    H    THR   8           H        THR   8 -12.292  -0.874  -8.801
   91    HA   THR   8           HA       THR   8 -11.895   1.764  -9.884
   92    HB   THR   8           HB       THR   8 -14.183   2.266  -9.327
   93    HG1  THR   8           1HG      THR   8 -13.853   0.280  -7.463
   94   1HG2  THR   8          1HG2      THR   8 -14.006  -0.652 -10.195
   95   2HG2  THR   8          2HG2      THR   8 -15.321   0.497 -10.523
   96   3HG2  THR   8          3HG2      THR   8 -13.729   0.750 -11.255
   97    H    LEU   9           H        LEU   9 -11.821   0.671  -6.554
   98    HA   LEU   9           HA       LEU   9 -11.943   3.274  -5.284
   99   1HB   LEU   9          2HB       LEU   9 -11.140   0.496  -4.398
  100   2HB   LEU   9          3HB       LEU   9 -10.840   1.890  -3.366
  101    HG   LEU   9           HG       LEU   9 -13.561   1.319  -4.506
  102   1HD1  LEU   9          1HD1      LEU   9 -12.392   0.355  -1.839
  103   2HD1  LEU   9          2HD1      LEU   9 -14.093   0.210  -2.314
  104   3HD1  LEU   9          3HD1      LEU   9 -12.853  -0.684  -3.205
  105   1HD2  LEU   9          1HD2      LEU   9 -13.246   3.576  -3.548
  106   2HD2  LEU   9          2HD2      LEU   9 -14.333   2.617  -2.531
  107   3HD2  LEU   9          3HD2      LEU   9 -12.654   2.851  -2.035
  108    H    PHE  10           H        PHE  10  -9.327   0.894  -5.736
  109    HA   PHE  10           HA       PHE  10  -7.063   2.333  -5.072
  110   1HB   PHE  10          2HB       PHE  10  -7.079  -0.037  -5.765
  111   2HB   PHE  10          3HB       PHE  10  -7.425   0.420  -7.418
  112    HD1  PHE  10           HD1      PHE  10  -5.627   0.855  -8.941
  113    HD2  PHE  10           HD2      PHE  10  -4.880   0.790  -4.691
  114    HE1  PHE  10           HE1      PHE  10  -3.162   1.020  -9.351
  115    HE2  PHE  10           HE2      PHE  10  -2.459   1.056  -5.119
  116    HZ   PHE  10           HZ       PHE  10  -1.599   1.189  -7.449
  117    H    LYS  11           H        LYS  11  -8.716   2.436  -8.205
  118    HA   LYS  11           HA       LYS  11  -6.916   4.124  -9.593
  119   1HB   LYS  11          2HB       LYS  11  -8.884   2.707 -10.453
  120   2HB   LYS  11          3HB       LYS  11  -9.910   4.105 -10.098
  121   1HG   LYS  11          2HG       LYS  11  -8.541   5.477 -11.667
  122   2HG   LYS  11          3HG       LYS  11  -7.452   4.101 -11.910
  123   1HD   LYS  11          2HD       LYS  11  -9.441   2.788 -12.808
  124   2HD   LYS  11          3HD       LYS  11 -10.393   4.272 -12.677
  125   1HE   LYS  11          2HE       LYS  11  -9.674   4.097 -14.956
  126   2HE   LYS  11          3HE       LYS  11  -8.770   5.418 -14.208
  127   1HZ   LYS  11          1HZ       LYS  11  -7.728   2.663 -14.641
  128   2HZ   LYS  11          2HZ       LYS  11  -7.304   3.985 -15.522
  129   3HZ   LYS  11          3HZ       LYS  11  -6.891   3.881 -13.937
  130    H    THR  12           H        THR  12  -9.239   5.096  -7.211
  131    HA   THR  12           HA       THR  12  -8.441   7.964  -7.561
  132    HB   THR  12           HB       THR  12 -10.737   7.569  -8.388
  133    HG1  THR  12           1HG      THR  12 -10.248   9.104  -6.099
  134   1HG2  THR  12          1HG2      THR  12 -11.416   6.890  -5.493
  135   2HG2  THR  12          2HG2      THR  12 -12.559   7.148  -6.825
  136   3HG2  THR  12          3HG2      THR  12 -11.470   5.751  -6.858
  137    H    ARG  13           H        ARG  13  -8.020   5.463  -5.526
  138    HA   ARG  13           HA       ARG  13  -7.947   7.236  -3.105
  139   1HB   ARG  13          2HB       ARG  13  -7.777   4.196  -3.378
  140   2HB   ARG  13          3HB       ARG  13  -7.585   5.048  -1.862
  141   1HG   ARG  13          2HG       ARG  13 -10.169   5.002  -3.482
  142   2HG   ARG  13          3HG       ARG  13  -9.764   3.955  -2.124
  143   1HD   ARG  13          2HD       ARG  13  -9.389   6.316  -0.914
  144   2HD   ARG  13          3HD       ARG  13 -10.477   6.860  -2.192
  145    HE   ARG  13           HE       ARG  13 -11.386   4.468  -0.653
  146   1HH1  ARG  13          1HH2      ARG  13 -11.555   7.942  -0.752
  147   2HH1  ARG  13          2HH2      ARG  13 -13.041   7.997   0.148
  148   1HH2  ARG  13          1HH1      ARG  13 -13.169   4.548   0.478
  149   2HH2  ARG  13          2HH1      ARG  13 -13.880   6.074   0.976
  150    H    CYS  14           H        CYS  14  -5.932   5.146  -5.099
  151    HA   CYS  14           HA       CYS  14  -3.506   5.891  -3.498
  152   1HB   CYS  14          2HB       CYS  14  -4.012   3.282  -4.895
  153   2HB   CYS  14          3HB       CYS  14  -2.798   3.617  -3.673
  154    H    LEU  15           H        LEU  15  -4.718   4.868  -6.711
  155    HA   LEU  15           HA       LEU  15  -2.295   4.845  -8.090
  156   1HB   LEU  15          2HB       LEU  15  -4.410   3.847  -8.773
  157   2HB   LEU  15          3HB       LEU  15  -5.096   5.436  -9.094
  158    HG   LEU  15           HG       LEU  15  -2.544   4.742 -10.544
  159   1HD1  LEU  15          1HD1      LEU  15  -5.230   3.503 -11.263
  160   2HD1  LEU  15          2HD1      LEU  15  -3.758   3.485 -12.276
  161   3HD1  LEU  15          3HD1      LEU  15  -3.772   2.643 -10.734
  162   1HD2  LEU  15          1HD2      LEU  15  -3.714   6.894 -10.983
  163   2HD2  LEU  15          2HD2      LEU  15  -3.728   5.868 -12.415
  164   3HD2  LEU  15          3HD2      LEU  15  -5.194   6.021 -11.406
  165    H    GLN  16           H        GLN  16  -4.108   7.688  -7.136
  166    HA   GLN  16           HA       GLN  16  -2.902   9.662  -8.764
  167   1HB   GLN  16          2HB       GLN  16  -3.343  11.206  -6.928
  168   2HB   GLN  16          3HB       GLN  16  -4.719  10.154  -7.248
  169   1HG   GLN  16          2HG       GLN  16  -4.145   8.770  -5.267
  170   2HG   GLN  16          3HG       GLN  16  -2.731   9.784  -4.961
  171   1HE2  GLN  16          2HE2      GLN  16  -3.043  11.755  -3.714
  172   2HE2  GLN  16          1HE2      GLN  16  -4.726  12.198  -3.319
  173    H    CYS  17           H        CYS  17  -1.387   7.752  -6.255
  174    HA   CYS  17           HA       CYS  17   1.136   9.357  -6.476
  175   1HB   CYS  17          2HB       CYS  17  -0.066   7.857  -4.139
  176   2HB   CYS  17          3HB       CYS  17   1.576   8.481  -4.160
  177    H    HIS  18           H        HIS  18  -0.188   6.255  -7.035
  178    HA   HIS  18           HA       HIS  18   2.482   4.886  -6.993
  179   1HB   HIS  18          1HB       HIS  18  -0.221   4.004  -5.878
  180   2HB   HIS  18          2HB       HIS  18   1.119   2.904  -6.148
  181    HD1  HIS  18           HD1      HIS  18   3.538   3.967  -4.901
  182    HD2  HIS  18           HD2      HIS  18  -0.312   4.520  -3.314
  183    HE1  HIS  18           HE1      HIS  18   3.824   4.264  -2.389
  184    H    THR  19           H        THR  19   2.544   2.854  -8.106
  185    HA   THR  19           HA       THR  19   0.496   2.300 -10.222
  186    HB   THR  19           HB       THR  19   2.244   1.315 -11.579
  187    HG1  THR  19           1HG      THR  19   3.827   0.856 -10.090
  188   1HG2  THR  19          1HG2      THR  19   2.948   4.198 -10.891
  189   2HG2  THR  19          2HG2      THR  19   3.297   3.348 -12.402
  190   3HG2  THR  19          3HG2      THR  19   1.612   3.700 -11.958
  191    H    VAL  20           H        VAL  20   0.532  -0.091 -10.784
  192    HA   VAL  20           HA       VAL  20   1.359  -1.831  -8.500
  193    HB   VAL  20           HB       VAL  20  -1.026  -0.954  -8.342
  194   1HG1  VAL  20          1HG1      VAL  20  -1.585  -3.055 -10.462
  195   2HG1  VAL  20          2HG1      VAL  20  -2.762  -2.103  -9.555
  196   3HG1  VAL  20          3HG1      VAL  20  -1.686  -1.297 -10.707
  197   1HG2  VAL  20          1HG2      VAL  20  -0.178  -2.816  -6.977
  198   2HG2  VAL  20          2HG2      VAL  20  -1.887  -3.023  -7.404
  199   3HG2  VAL  20          3HG2      VAL  20  -0.634  -3.960  -8.241
  200    H    GLU  21           H        GLU  21   1.174  -1.447 -11.815
  201    HA   GLU  21           HA       GLU  21   1.315  -4.337 -12.423
  202   1HB   GLU  21          2HB       GLU  21   1.396  -1.917 -14.208
  203   2HB   GLU  21          3HB       GLU  21   1.431  -3.572 -14.796
  204   1HG   GLU  21          2HG       GLU  21  -0.753  -4.043 -14.252
  205   2HG   GLU  21          3HG       GLU  21  -0.822  -2.913 -12.910
  206    H    LYS  22           H        LYS  22   2.949  -4.995 -14.108
  207    HA   LYS  22           HA       LYS  22   5.312  -5.075 -12.482
  208   1HB   LYS  22          2HB       LYS  22   3.876  -6.957 -13.470
  209   2HB   LYS  22          3HB       LYS  22   4.708  -6.681 -15.006
  210   1HG   LYS  22          2HG       LYS  22   6.865  -7.211 -13.958
  211   2HG   LYS  22          3HG       LYS  22   6.118  -7.248 -12.352
  212   1HD   LYS  22          2HD       LYS  22   4.577  -9.109 -13.283
  213   2HD   LYS  22          3HD       LYS  22   5.642  -9.134 -14.676
  214   1HE   LYS  22          2HE       LYS  22   6.222  -9.743 -11.734
  215   2HE   LYS  22          3HE       LYS  22   6.317 -10.878 -13.081
  216   1HZ   LYS  22          1HZ       LYS  22   8.132  -8.564 -12.648
  217   2HZ   LYS  22          2HZ       LYS  22   8.524 -10.132 -12.377
  218   3HZ   LYS  22          3HZ       LYS  22   8.234  -9.598 -13.913
  219    H    GLY  23           H        GLY  23   5.663  -2.860 -13.196
  220   1HA   GLY  23          1HA       GLY  23   8.098  -2.196 -14.351
  221   2HA   GLY  23          2HA       GLY  23   7.036  -2.324 -15.750
  222    H    GLY  24           H        GLY  24   5.309  -1.163 -12.964
  223   1HA   GLY  24          1HA       GLY  24   4.676   1.276 -14.208
  224   2HA   GLY  24          2HA       GLY  24   4.355   0.829 -12.539
  225    HA   PRO  25           HA       PRO  25   8.273   3.667 -12.862
  226   1HB   PRO  25          2HB       PRO  25   7.451   6.195 -13.555
  227   2HB   PRO  25          3HB       PRO  25   8.014   4.976 -14.739
  228   1HG   PRO  25          2HG       PRO  25   5.157   5.646 -13.974
  229   2HG   PRO  25          3HG       PRO  25   5.851   5.464 -15.617
  230   1HD   PRO  25          2HD       PRO  25   4.503   3.446 -14.398
  231   2HD   PRO  25          3HD       PRO  25   5.934   3.108 -15.420
  232    H    HIS  26           H        HIS  26   8.798   4.401 -10.943
  233    HA   HIS  26           HA       HIS  26   7.005   4.777  -8.716
  234   1HB   HIS  26          2HB       HIS  26   9.939   5.471  -9.193
  235   2HB   HIS  26          3HB       HIS  26   9.103   5.702  -7.662
  236    HD1  HIS  26           HD1      HIS  26   9.341   2.464  -9.925
  237    HD2  HIS  26           HD2      HIS  26   9.891   3.958  -6.025
  238    HE1  HIS  26           HE1      HIS  26  10.142   0.508  -8.463
  239    H    LYS  27           H        LYS  27   5.908   6.554  -8.176
  240    HA   LYS  27           HA       LYS  27   6.201   8.937  -9.981
  241   1HB   LYS  27          2HB       LYS  27   4.294   7.342 -10.396
  242   2HB   LYS  27          3HB       LYS  27   3.605   7.817  -8.839
  243   1HG   LYS  27          2HG       LYS  27   3.573  10.210  -9.638
  244   2HG   LYS  27          3HG       LYS  27   4.245   9.664 -11.180
  245   1HD   LYS  27          2HD       LYS  27   2.202   8.222 -11.510
  246   2HD   LYS  27          3HD       LYS  27   1.556   8.842  -9.983
  247   1HE   LYS  27          2HE       LYS  27   0.548  10.090 -11.792
  248   2HE   LYS  27          3HE       LYS  27   1.622  11.155 -10.879
  249   1HZ   LYS  27          1HZ       LYS  27   2.308   9.826 -13.442
  250   2HZ   LYS  27          2HZ       LYS  27   1.943  11.424 -13.271
  251   3HZ   LYS  27          3HZ       LYS  27   3.311  10.812 -12.598
  252    H    VAL  28           H        VAL  28   4.527   8.296  -6.929
  253    HA   VAL  28           HA       VAL  28   5.784  10.758  -5.751
  254    HB   VAL  28           HB       VAL  28   2.940   9.885  -5.196
  255   1HG1  VAL  28          1HG1      VAL  28   4.468  12.374  -4.349
  256   2HG1  VAL  28          2HG1      VAL  28   2.746  12.057  -4.042
  257   3HG1  VAL  28          3HG1      VAL  28   3.968  11.037  -3.285
  258   1HG2  VAL  28          1HG2      VAL  28   2.995  10.818  -7.451
  259   2HG2  VAL  28          2HG2      VAL  28   2.253  11.980  -6.356
  260   3HG2  VAL  28          3HG2      VAL  28   3.939  12.215  -6.877
  261    H    GLY  29           H        GLY  29   4.366   7.580  -5.255
  262   1HA   GLY  29          1HA       GLY  29   6.560   6.995  -3.354
  263   2HA   GLY  29          2HA       GLY  29   4.962   6.261  -3.141
  264    HA   PRO  30           HA       PRO  30   7.649   3.741  -5.993
  265   1HB   PRO  30          2HB       PRO  30   7.670   1.339  -4.635
  266   2HB   PRO  30          3HB       PRO  30   8.733   2.705  -4.186
  267   1HG   PRO  30          2HG       PRO  30   5.991   2.021  -3.039
  268   2HG   PRO  30          3HG       PRO  30   7.518   2.281  -2.139
  269   1HD   PRO  30          2HD       PRO  30   5.800   4.302  -2.408
  270   2HD   PRO  30          3HD       PRO  30   7.529   4.601  -2.627
  271    H    ASN  31           H        ASN  31   7.311   1.509  -7.001
  272    HA   ASN  31           HA       ASN  31   4.561   1.129  -7.909
  273   1HB   ASN  31          2HB       ASN  31   6.663   0.550  -9.223
  274   2HB   ASN  31          3HB       ASN  31   6.953  -0.766  -8.066
  275   1HD2  ASN  31          2HD2      ASN  31   6.745  -2.380  -9.783
  276   2HD2  ASN  31          1HD2      ASN  31   5.140  -2.579 -10.561
  277    H    LEU  32           H        LEU  32   3.206  -0.679  -7.354
  278    HA   LEU  32           HA       LEU  32   3.676  -1.778  -4.612
  279   1HB   LEU  32          2HB       LEU  32   1.082  -1.158  -6.039
  280   2HB   LEU  32          3HB       LEU  32   1.229  -1.846  -4.428
  281    HG   LEU  32           HG       LEU  32   2.263   0.925  -5.195
  282   1HD1  LEU  32          1HD1      LEU  32  -0.266   0.028  -3.755
  283   2HD1  LEU  32          2HD1      LEU  32   0.296   1.706  -3.885
  284   3HD1  LEU  32          3HD1      LEU  32  -0.157   0.819  -5.350
  285   1HD2  LEU  32          1HD2      LEU  32   3.443  -0.002  -3.250
  286   2HD2  LEU  32          2HD2      LEU  32   2.345   1.284  -2.749
  287   3HD2  LEU  32          3HD2      LEU  32   1.894  -0.416  -2.480
  288    H    HIS  33           H        HIS  33   3.797  -2.870  -7.716
  289    HA   HIS  33           HA       HIS  33   2.755  -5.548  -7.598
  290   1HB   HIS  33          2HB       HIS  33   3.615  -4.081  -9.630
  291   2HB   HIS  33          3HB       HIS  33   5.200  -4.672  -9.154
  292    HD1  HIS  33           HD1      HIS  33   1.723  -6.096 -10.114
  293    HD2  HIS  33           HD2      HIS  33   5.789  -7.166  -9.805
  294    HE1  HIS  33           HE1      HIS  33   1.941  -8.422 -11.148
  295    H    GLY  34           H        GLY  34   3.415  -6.900  -6.226
  296   1HA   GLY  34          1HA       GLY  34   4.801  -8.364  -4.976
  297   2HA   GLY  34          2HA       GLY  34   6.184  -7.649  -5.803
  298    H    ILE  35           H        ILE  35   3.920  -5.706  -3.814
  299    HA   ILE  35           HA       ILE  35   5.975  -5.190  -1.807
  300    HB   ILE  35           HB       ILE  35   4.195  -4.152  -0.467
  301   1HG1  ILE  35          2HG1      ILE  35   2.096  -3.652  -2.219
  302   2HG1  ILE  35          3HG1      ILE  35   2.359  -5.367  -2.488
  303   1HG2  ILE  35          1HG2      ILE  35   4.547  -3.253  -3.334
  304   2HG2  ILE  35          2HG2      ILE  35   3.916  -2.231  -2.017
  305   3HG2  ILE  35          3HG2      ILE  35   5.566  -2.856  -1.943
  306   1HD1  ILE  35          1HD1      ILE  35   1.911  -4.032   0.218
  307   2HD1  ILE  35          2HD1      ILE  35   0.704  -4.944  -0.710
  308   3HD1  ILE  35          3HD1      ILE  35   2.119  -5.775  -0.037
  309    H    PHE  36           H        PHE  36   3.229  -7.491  -2.016
  310    HA   PHE  36           HA       PHE  36   3.309  -8.285   0.668
  311   1HB   PHE  36          2HB       PHE  36   2.245  -9.674  -1.802
  312   2HB   PHE  36          3HB       PHE  36   2.090 -10.338  -0.179
  313    HD1  PHE  36           HD1      PHE  36   1.065  -8.789   1.673
  314    HD2  PHE  36           HD2      PHE  36   0.490  -8.214  -2.563
  315    HE1  PHE  36           HE1      PHE  36  -0.951  -7.416   2.128
  316    HE2  PHE  36           HE2      PHE  36  -1.512  -6.833  -2.099
  317    HZ   PHE  36           HZ       PHE  36  -2.240  -6.435   0.232
  318    H    GLY  37           H        GLY  37   4.587  -9.411   1.774
  319   1HA   GLY  37          1HA       GLY  37   6.030 -11.214   2.410
  320   2HA   GLY  37          2HA       GLY  37   6.325 -11.593   0.713
  321    H    ARG  38           H        ARG  38   6.693  -8.300   1.023
  322    HA   ARG  38           HA       ARG  38   9.654  -8.406   1.481
  323   1HB   ARG  38          2HB       ARG  38   9.064  -8.164  -0.799
  324   2HB   ARG  38          3HB       ARG  38   8.026  -6.769  -0.513
  325   1HG   ARG  38          2HG       ARG  38   9.778  -5.342  -0.137
  326   2HG   ARG  38          3HG       ARG  38  10.913  -6.666   0.232
  327   1HD   ARG  38          2HD       ARG  38  11.372  -5.719  -1.893
  328   2HD   ARG  38          3HD       ARG  38  10.936  -7.414  -2.057
  329    HE   ARG  38           HE       ARG  38   8.584  -6.460  -2.771
  330   1HH1  ARG  38          1HH2      ARG  38  11.555  -4.656  -3.543
  331   2HH1  ARG  38          2HH2      ARG  38  10.879  -4.382  -5.156
  332   1HH2  ARG  38          1HH1      ARG  38   7.881  -5.672  -4.684
  333   2HH2  ARG  38          2HH1      ARG  38   9.009  -4.763  -5.712
  334    H    HIS  39           H        HIS  39  10.499  -6.139   2.157
  335    HA   HIS  39           HA       HIS  39   8.826  -5.504   4.543
  336   1HB   HIS  39          2HB       HIS  39  11.822  -5.286   4.251
  337   2HB   HIS  39          3HB       HIS  39  10.878  -4.879   5.675
  338    HD1  HIS  39           HD1      HIS  39  11.876  -7.983   3.662
  339    HD2  HIS  39           HD2      HIS  39   9.875  -6.782   7.148
  340    HE1  HIS  39           HE1      HIS  39  11.252 -10.148   4.921
  341    H    SER  40           H        SER  40   8.564  -3.420   5.400
  342    HA   SER  40           HA       SER  40   8.120  -1.441   3.566
  343   1HB   SER  40          2HB       SER  40   7.693   0.160   5.277
  344   2HB   SER  40          3HB       SER  40   7.068  -1.420   5.736
  345    HG   SER  40           HG       SER  40   9.266   0.012   6.749
  346    H    GLY  41           H        GLY  41   9.264  -0.350   2.304
  347   1HA   GLY  41          1HA       GLY  41  10.938   1.241   1.681
  348   2HA   GLY  41          2HA       GLY  41  11.901   0.833   3.084
  349    H    GLN  42           H        GLN  42  10.602  -1.248   0.409
  350    HA   GLN  42           HA       GLN  42  13.412  -1.897  -0.356
  351   1HB   GLN  42          2HB       GLN  42  11.291  -3.890   0.466
  352   2HB   GLN  42          3HB       GLN  42  12.784  -4.331  -0.361
  353   1HG   GLN  42          2HG       GLN  42  14.011  -3.111   1.531
  354   2HG   GLN  42          3HG       GLN  42  12.501  -3.228   2.424
  355   1HE2  GLN  42          2HE2      GLN  42  15.348  -4.682   2.505
  356   2HE2  GLN  42          1HE2      GLN  42  14.782  -6.348   2.724
  357    H    ALA  43           H        ALA  43  10.876  -0.573  -1.906
  358    HA   ALA  43           HA       ALA  43  10.540  -2.328  -4.139
  359   1HB   ALA  43          1HB       ALA  43  10.313   0.687  -4.035
  360   2HB   ALA  43          2HB       ALA  43   9.704  -0.374  -5.324
  361   3HB   ALA  43          3HB       ALA  43   9.017  -0.497  -3.702
  362    H    GLU  44           H        GLU  44  11.277  -2.091  -6.250
  363    HA   GLU  44           HA       GLU  44  13.922  -2.620  -6.535
  364   1HB   GLU  44          2HB       GLU  44  11.891  -1.851  -8.667
  365   2HB   GLU  44          3HB       GLU  44  13.516  -2.425  -9.022
  366   1HG   GLU  44          2HG       GLU  44  12.391  -4.374  -9.210
  367   2HG   GLU  44          3HG       GLU  44  12.932  -4.485  -7.544
  368    H    GLY  45           H        GLY  45  15.093  -0.914  -5.493
  369   1HA   GLY  45          1HA       GLY  45  17.090   0.307  -6.067
  370   2HA   GLY  45          2HA       GLY  45  16.366   0.775  -7.600
  371    H    TYR  46           H        TYR  46  14.379   1.244  -4.777
  372    HA   TYR  46           HA       TYR  46  14.729   4.203  -5.090
  373   1HB   TYR  46          2HB       TYR  46  12.735   3.021  -6.067
  374   2HB   TYR  46          3HB       TYR  46  12.190   2.702  -4.435
  375    HD1  TYR  46           HD1      TYR  46  12.480   5.119  -7.125
  376    HD2  TYR  46           HD2      TYR  46  11.749   4.743  -2.889
  377    HE1  TYR  46           HE1      TYR  46  11.309   7.307  -7.139
  378    HE2  TYR  46           HE2      TYR  46  10.580   6.937  -2.901
  379    HH   TYR  46           HH       TYR  46  10.234   8.826  -5.912
  380    H    SER  47           H        SER  47  15.036   5.481  -3.412
  381    HA   SER  47           HA       SER  47  15.244   4.365  -0.680
  382   1HB   SER  47          2HB       SER  47  15.983   7.057  -1.882
  383   2HB   SER  47          3HB       SER  47  16.102   6.682  -0.151
  384    HG   SER  47           HG       SER  47  18.070   6.278  -1.251
  385    H    TYR  48           H        TYR  48  14.110   5.036   1.038
  386    HA   TYR  48           HA       TYR  48  11.559   6.514   0.620
  387   1HB   TYR  48          2HB       TYR  48  12.376   4.225   2.458
  388   2HB   TYR  48          3HB       TYR  48  10.839   5.055   2.560
  389    HD1  TYR  48           HD1      TYR  48   9.035   4.013   1.673
  390    HD2  TYR  48           HD2      TYR  48  12.907   3.194  -0.083
  391    HE1  TYR  48           HE1      TYR  48   8.051   2.252   0.269
  392    HE2  TYR  48           HE2      TYR  48  11.892   1.497  -1.532
  393    HH   TYR  48           HH       TYR  48   8.752   0.160  -0.943
  394    H    THR  49           H        THR  49  10.745   7.318   2.970
  395    HA   THR  49           HA       THR  49  12.854   8.839   4.311
  396    HB   THR  49           HB       THR  49  11.302   9.253   6.143
  397    HG1  THR  49           1HG      THR  49   9.226   8.532   6.027
  398   1HG2  THR  49          1HG2      THR  49  10.042   9.549   3.414
  399   2HG2  THR  49          2HG2      THR  49   9.590  10.472   4.875
  400   3HG2  THR  49          3HG2      THR  49  11.198  10.673   4.152
  401    H    ASP  50           H        ASP  50  13.943   8.511   6.172
  402    HA   ASP  50           HA       ASP  50  14.826   6.026   6.994
  403   1HB   ASP  50          2HB       ASP  50  15.873   8.184   7.565
  404   2HB   ASP  50          3HB       ASP  50  14.546   8.550   8.675
  405    H    ALA  51           H        ALA  51  12.143   7.861   8.543
  406    HA   ALA  51           HA       ALA  51  11.376   6.032  10.495
  407   1HB   ALA  51          1HB       ALA  51   9.591   7.834   8.796
  408   2HB   ALA  51          2HB       ALA  51   9.171   7.123  10.367
  409   3HB   ALA  51          3HB       ALA  51  10.476   8.316  10.267
  410    H    ASN  52           H        ASN  52  10.484   5.871   7.015
  411    HA   ASN  52           HA       ASN  52   8.648   3.627   7.381
  412   1HB   ASN  52          2HB       ASN  52   8.464   5.255   5.506
  413   2HB   ASN  52          3HB       ASN  52  10.003   4.691   4.858
  414   1HD2  ASN  52          2HD2      ASN  52  10.050   2.568   3.784
  415   2HD2  ASN  52          1HD2      ASN  52   8.515   1.784   3.440
  416    H    ILE  53           H        ILE  53  12.035   3.937   6.411
  417    HA   ILE  53           HA       ILE  53  12.485   1.125   5.896
  418    HB   ILE  53           HB       ILE  53  14.413   3.308   6.672
  419   1HG1  ILE  53          2HG1      ILE  53  13.885   2.237   3.851
  420   2HG1  ILE  53          3HG1      ILE  53  13.025   3.620   4.506
  421   1HG2  ILE  53          1HG2      ILE  53  14.967   0.599   5.354
  422   2HG2  ILE  53          2HG2      ILE  53  16.184   1.868   5.595
  423   3HG2  ILE  53          3HG2      ILE  53  15.466   1.079   6.988
  424   1HD1  ILE  53          1HD1      ILE  53  16.025   3.494   4.057
  425   2HD1  ILE  53          2HD1      ILE  53  14.832   4.417   3.134
  426   3HD1  ILE  53          3HD1      ILE  53  15.152   4.844   4.825
  427    H    LYS  54           H        LYS  54  13.290   3.140   8.702
  428    HA   LYS  54           HA       LYS  54  14.299   1.190  10.505
  429   1HB   LYS  54          2HB       LYS  54  12.739   3.744  10.968
  430   2HB   LYS  54          3HB       LYS  54  13.493   2.826  12.265
  431   1HG   LYS  54          2HG       LYS  54  15.131   3.809   9.892
  432   2HG   LYS  54          3HG       LYS  54  14.731   4.828  11.271
  433   1HD   LYS  54          2HD       LYS  54  15.891   3.341  12.811
  434   2HD   LYS  54          3HD       LYS  54  16.183   2.175  11.515
  435   1HE   LYS  54          2HE       LYS  54  18.204   3.492  11.956
  436   2HE   LYS  54          3HE       LYS  54  17.597   3.767  10.315
  437   1HZ   LYS  54          1HZ       LYS  54  17.038   5.658  12.536
  438   2HZ   LYS  54          2HZ       LYS  54  18.226   5.850  11.382
  439   3HZ   LYS  54          3HZ       LYS  54  16.695   5.845  10.954
  440    H    LYS  55           H        LYS  55  11.159   1.442   9.282
  441    HA   LYS  55           HA       LYS  55   9.911   0.015  11.610
  442   1HB   LYS  55          2HB       LYS  55   8.755   1.821   9.905
  443   2HB   LYS  55          3HB       LYS  55   8.344   0.326   9.081
  444   1HG   LYS  55          2HG       LYS  55   6.528   0.678  10.543
  445   2HG   LYS  55          3HG       LYS  55   7.510  -0.522  11.389
  446   1HD   LYS  55          2HD       LYS  55   8.631   1.594  12.527
  447   2HD   LYS  55          3HD       LYS  55   7.210   2.456  11.952
  448   1HE   LYS  55          2HE       LYS  55   7.246   0.005  13.783
  449   2HE   LYS  55          3HE       LYS  55   7.014   1.682  14.298
  450   1HZ   LYS  55          1HZ       LYS  55   5.158   0.128  12.581
  451   2HZ   LYS  55          2HZ       LYS  55   4.876   0.654  14.107
  452   3HZ   LYS  55          3HZ       LYS  55   5.008   1.736  12.885
  453    H    ASN  56           H        ASN  56  11.298  -0.740   8.580
  454    HA   ASN  56           HA       ASN  56  10.717  -2.415   7.032
  455   1HB   ASN  56          2HB       ASN  56  13.011  -2.542   8.605
  456   2HB   ASN  56          3HB       ASN  56  12.433  -4.191   8.628
  457   1HD2  ASN  56          2HD2      ASN  56  12.349  -1.661   5.896
  458   2HD2  ASN  56          1HD2      ASN  56  13.372  -2.722   4.938
  459    H    VAL  57           H        VAL  57   8.457  -2.388   7.753
  460    HA   VAL  57           HA       VAL  57   7.522  -4.720   9.201
  461    HB   VAL  57           HB       VAL  57   6.387  -2.267   8.684
  462   1HG1  VAL  57          1HG1      VAL  57   4.748  -4.186   6.986
  463   2HG1  VAL  57          2HG1      VAL  57   4.279  -2.558   7.520
  464   3HG1  VAL  57          3HG1      VAL  57   5.624  -2.775   6.406
  465   1HG2  VAL  57          1HG2      VAL  57   5.878  -3.676  10.555
  466   2HG2  VAL  57          2HG2      VAL  57   4.359  -3.315   9.725
  467   3HG2  VAL  57          3HG2      VAL  57   5.130  -4.906   9.525
  468    H    LEU  58           H        LEU  58   7.193  -6.701   8.456
  469    HA   LEU  58           HA       LEU  58   7.499  -7.391   5.663
  470   1HB   LEU  58          2HB       LEU  58   7.955  -8.830   7.713
  471   2HB   LEU  58          3HB       LEU  58   6.223  -9.085   7.839
  472    HG   LEU  58           HG       LEU  58   7.811  -9.691   5.295
  473   1HD1  LEU  58          1HD1      LEU  58   7.179 -11.582   7.599
  474   2HD1  LEU  58          2HD1      LEU  58   7.919 -12.032   6.043
  475   3HD1  LEU  58          3HD1      LEU  58   8.789 -10.964   7.154
  476   1HD2  LEU  58          1HD2      LEU  58   5.406  -9.663   4.901
  477   2HD2  LEU  58          2HD2      LEU  58   5.952 -11.333   4.915
  478   3HD2  LEU  58          3HD2      LEU  58   5.117 -10.673   6.337
  479    H    TRP  59           H        TRP  59   6.130  -6.509   4.275
  480    HA   TRP  59           HA       TRP  59   3.394  -5.872   4.723
  481   1HB   TRP  59          2HB       TRP  59   4.995  -6.340   2.219
  482   2HB   TRP  59          3HB       TRP  59   3.329  -5.760   2.185
  483    HD1  TRP  59           HD1      TRP  59   6.528  -4.355   1.666
  484    HE1  TRP  59           HE1      TRP  59   6.694  -1.870   2.334
  485    HE3  TRP  59           HE3      TRP  59   2.329  -3.985   4.590
  486    HZ2  TRP  59           HZ2      TRP  59   5.475  -0.146   4.219
  487    HZ3  TRP  59           HZ3      TRP  59   1.896  -1.963   5.897
  488    HH2  TRP  59           HH2      TRP  59   3.447   0.017   5.718
  489    H    ASP  60           H        ASP  60   2.145  -7.423   5.523
  490    HA   ASP  60           HA       ASP  60   1.496  -9.785   3.834
  491   1HB   ASP  60          2HB       ASP  60   2.806 -10.423   5.846
  492   2HB   ASP  60          3HB       ASP  60   1.599  -9.635   6.873
  493    H    GLU  61           H        GLU  61  -0.596 -10.623   4.380
  494    HA   GLU  61           HA       GLU  61  -2.642  -9.038   3.438
  495   1HB   GLU  61          2HB       GLU  61  -2.428 -11.579   3.589
  496   2HB   GLU  61          3HB       GLU  61  -3.009 -11.453   5.243
  497   1HG   GLU  61          2HG       GLU  61  -5.032 -11.779   4.300
  498   2HG   GLU  61          3HG       GLU  61  -4.960 -10.046   3.983
  499    H    ASN  62           H        ASN  62  -2.502 -10.027   6.957
  500    HA   ASN  62           HA       ASN  62  -4.601  -8.217   7.638
  501   1HB   ASN  62          2HB       ASN  62  -4.373  -9.005   9.809
  502   2HB   ASN  62          3HB       ASN  62  -4.036 -10.395   8.794
  503   1HD2  ASN  62          2HD2      ASN  62  -3.341 -10.290  11.615
  504   2HD2  ASN  62          1HD2      ASN  62  -1.580 -10.315  11.592
  505    H    ASN  63           H        ASN  63  -1.131  -7.992   7.985
  506    HA   ASN  63           HA       ASN  63  -0.996  -5.691   9.594
  507   1HB   ASN  63          2HB       ASN  63   0.727  -7.367   9.479
  508   2HB   ASN  63          3HB       ASN  63   0.958  -7.105   7.747
  509   1HD2  ASN  63          2HD2      ASN  63   3.104  -6.323   7.642
  510   2HD2  ASN  63          1HD2      ASN  63   3.479  -4.828   8.505
  511    H    MET  64           H        MET  64  -0.715  -5.877   6.008
  512    HA   MET  64           HA       MET  64  -0.338  -3.046   5.556
  513   1HB   MET  64          2HB       MET  64  -0.030  -4.227   3.620
  514   2HB   MET  64          3HB       MET  64  -1.321  -5.354   3.944
  515   1HG   MET  64          2HG       MET  64  -3.015  -3.755   3.301
  516   2HG   MET  64          3HG       MET  64  -1.830  -2.456   3.188
  517   1HE   MET  64          1HE       MET  64   0.328  -2.825   1.450
  518   2HE   MET  64          2HE       MET  64  -0.307  -2.704  -0.209
  519   3HE   MET  64          3HE       MET  64  -0.933  -1.631   1.064
  520    H    SER  65           H        SER  65  -3.258  -4.975   6.238
  521    HA   SER  65           HA       SER  65  -5.048  -2.830   5.583
  522   1HB   SER  65          2HB       SER  65  -6.820  -4.169   6.260
  523   2HB   SER  65          3HB       SER  65  -5.610  -5.368   5.795
  524    HG   SER  65           HG       SER  65  -5.088  -5.514   8.074
  525    H    GLU  66           H        GLU  66  -3.443  -3.576   8.634
  526    HA   GLU  66           HA       GLU  66  -4.891  -1.487  10.052
  527   1HB   GLU  66          2HB       GLU  66  -3.778  -3.569  11.082
  528   2HB   GLU  66          3HB       GLU  66  -2.247  -2.709  10.897
  529   1HG   GLU  66          2HG       GLU  66  -3.086  -2.395  13.156
  530   2HG   GLU  66          3HG       GLU  66  -3.158  -0.850  12.310
  531    H    TYR  67           H        TYR  67  -1.681  -1.685   8.472
  532    HA   TYR  67           HA       TYR  67  -0.835   1.011   8.892
  533   1HB   TYR  67          2HB       TYR  67   0.624  -0.665   7.910
  534   2HB   TYR  67          3HB       TYR  67  -0.455  -0.888   6.550
  535    HD1  TYR  67           HD1      TYR  67   0.188   0.106   4.510
  536    HD2  TYR  67           HD2      TYR  67   1.368   1.881   8.233
  537    HE1  TYR  67           HE1      TYR  67   1.516   1.804   3.266
  538    HE2  TYR  67           HE2      TYR  67   2.656   3.651   6.984
  539    HH   TYR  67           HH       TYR  67   3.248   3.391   3.555
  540    H    LEU  68           H        LEU  68  -3.144  -0.313   6.489
  541    HA   LEU  68           HA       LEU  68  -3.664   2.355   5.389
  542   1HB   LEU  68          2HB       LEU  68  -4.932  -0.354   4.914
  543   2HB   LEU  68          3HB       LEU  68  -5.402   1.120   4.060
  544    HG   LEU  68           HG       LEU  68  -2.634  -0.142   4.008
  545   1HD1  LEU  68          1HD1      LEU  68  -4.799  -0.071   1.884
  546   2HD1  LEU  68          2HD1      LEU  68  -3.175  -0.776   1.718
  547   3HD1  LEU  68          3HD1      LEU  68  -4.326  -1.479   2.855
  548   1HD2  LEU  68          1HD2      LEU  68  -2.450   2.287   3.612
  549   2HD2  LEU  68          2HD2      LEU  68  -2.202   1.410   2.109
  550   3HD2  LEU  68          3HD2      LEU  68  -3.765   2.208   2.412
  551    H    THR  69           H        THR  69  -4.890   0.837   8.237
  552    HA   THR  69           HA       THR  69  -7.332   2.394   8.458
  553    HB   THR  69           HB       THR  69  -5.562   1.590  10.722
  554    HG1  THR  69           1HG      THR  69  -6.433  -0.261  10.843
  555   1HG2  THR  69          1HG2      THR  69  -8.564   2.026  10.566
  556   2HG2  THR  69          2HG2      THR  69  -7.654   1.518  12.004
  557   3HG2  THR  69          3HG2      THR  69  -7.391   3.133  11.328
  558    H    ASN  70           H        ASN  70  -4.042   2.788   9.743
  559    HA   ASN  70           HA       ASN  70  -4.281   5.754   9.622
  560   1HB   ASN  70          2HB       ASN  70  -5.172   4.894  11.825
  561   2HB   ASN  70          3HB       ASN  70  -3.536   4.336  12.206
  562   1HD2  ASN  70          2HD2      ASN  70  -5.265   6.474  13.465
  563   2HD2  ASN  70          1HD2      ASN  70  -4.259   7.932  13.324
  564    HA   PRO  71           HA       PRO  71  -0.208   3.990   8.289
  565   1HB   PRO  71          2HB       PRO  71   0.238   5.696   6.132
  566   2HB   PRO  71          3HB       PRO  71  -0.668   4.168   6.041
  567   1HG   PRO  71          2HG       PRO  71  -1.750   6.972   6.286
  568   2HG   PRO  71          3HG       PRO  71  -2.365   5.616   5.290
  569   1HD   PRO  71          2HD       PRO  71  -3.495   6.322   7.670
  570   2HD   PRO  71          3HD       PRO  71  -3.448   4.629   7.109
  571    H    LYS  72           H        LYS  72  -1.176   7.322   8.628
  572    HA   LYS  72           HA       LYS  72   1.450   8.485   8.904
  573   1HB   LYS  72          2HB       LYS  72  -0.727   9.537   8.067
  574   2HB   LYS  72          3HB       LYS  72  -1.217   9.697   9.756
  575   1HG   LYS  72          2HG       LYS  72   0.639  11.181  10.224
  576   2HG   LYS  72          3HG       LYS  72   1.402  10.841   8.664
  577   1HD   LYS  72          2HD       LYS  72  -1.325  12.181   8.943
  578   2HD   LYS  72          3HD       LYS  72   0.206  13.069   8.855
  579   1HE   LYS  72          2HE       LYS  72   0.707  12.054   6.651
  580   2HE   LYS  72          3HE       LYS  72  -0.798  11.137   6.718
  581   1HZ   LYS  72          1HZ       LYS  72  -0.678  14.108   6.647
  582   2HZ   LYS  72          2HZ       LYS  72  -1.083  13.113   5.394
  583   3HZ   LYS  72          3HZ       LYS  72  -2.044  13.151   6.667
  584    H    LYS  73           H        LYS  73  -0.653   7.011  11.284
  585    HA   LYS  73           HA       LYS  73   1.339   7.787  13.380
  586   1HB   LYS  73          2HB       LYS  73  -1.175   8.031  13.787
  587   2HB   LYS  73          3HB       LYS  73  -1.230   6.259  13.888
  588   1HG   LYS  73          2HG       LYS  73   0.425   6.324  15.746
  589   2HG   LYS  73          3HG       LYS  73   0.560   8.083  15.574
  590   1HD   LYS  73          2HD       LYS  73  -1.846   8.309  16.219
  591   2HD   LYS  73          3HD       LYS  73  -1.954   6.549  16.351
  592   1HE   LYS  73          2HE       LYS  73  -1.655   7.344  18.578
  593   2HE   LYS  73          3HE       LYS  73  -0.135   6.595  18.084
  594   1HZ   LYS  73          1HZ       LYS  73  -0.706   9.508  18.188
  595   2HZ   LYS  73          2HZ       LYS  73   0.304   8.675  19.173
  596   3HZ   LYS  73          3HZ       LYS  73   0.692   8.869  17.591
  597    H    TYR  74           H        TYR  74   0.300   4.867  11.548
  598    HA   TYR  74           HA       TYR  74   1.841   3.012  13.045
  599   1HB   TYR  74          2HB       TYR  74   0.216   2.679  11.052
  600   2HB   TYR  74          3HB       TYR  74   1.598   3.011  10.031
  601    HD1  TYR  74           HD1      TYR  74   3.765   1.412  10.533
  602    HD2  TYR  74           HD2      TYR  74  -0.315   0.513  11.631
  603    HE1  TYR  74           HE1      TYR  74   4.351  -1.005  10.776
  604    HE2  TYR  74           HE2      TYR  74   0.281  -1.887  11.838
  605    HH   TYR  74           HH       TYR  74   2.110  -3.495  11.060
  606    H    ILE  75           H        ILE  75   2.805   5.254  10.441
  607    HA   ILE  75           HA       ILE  75   5.682   4.913  11.178
  608    HB   ILE  75           HB       ILE  75   4.638   5.292   8.364
  609   1HG1  ILE  75          2HG1      ILE  75   5.638   2.786   9.763
  610   2HG1  ILE  75          3HG1      ILE  75   4.042   3.069   9.052
  611   1HG2  ILE  75          1HG2      ILE  75   7.427   4.607   9.420
  612   2HG2  ILE  75          2HG2      ILE  75   6.978   4.999   7.741
  613   3HG2  ILE  75          3HG2      ILE  75   6.938   6.252   8.965
  614   1HD1  ILE  75          1HD1      ILE  75   6.640   2.653   7.561
  615   2HD1  ILE  75          2HD1      ILE  75   5.192   1.643   7.563
  616   3HD1  ILE  75          3HD1      ILE  75   5.144   3.240   6.790
  617    HA   PRO  76           HA       PRO  76   4.297   9.296  11.705
  618   1HB   PRO  76          2HB       PRO  76   5.931   9.944  13.814
  619   2HB   PRO  76          3HB       PRO  76   4.360   9.097  13.997
  620   1HG   PRO  76          2HG       PRO  76   7.136   7.881  13.908
  621   2HG   PRO  76          3HG       PRO  76   5.811   7.537  15.067
  622   1HD   PRO  76          2HD       PRO  76   6.313   5.958  12.907
  623   2HD   PRO  76          3HD       PRO  76   4.643   6.241  13.476
  624    H    GLY  77           H        GLY  77   5.116  10.617  10.211
  625   1HA   GLY  77          1HA       GLY  77   6.793  11.947   9.133
  626   2HA   GLY  77          2HA       GLY  77   8.057  10.970   9.866
  627    H    THR  78           H        THR  78   5.681   8.888   8.484
  628    HA   THR  78           HA       THR  78   7.210   8.158   6.163
  629    HB   THR  78           HB       THR  78   5.474   6.714   7.012
  630    HG1  THR  78           1HG      THR  78   4.866   6.097   5.025
  631   1HG2  THR  78          1HG2      THR  78   3.382   8.574   5.814
  632   2HG2  THR  78          2HG2      THR  78   3.119   7.027   6.644
  633   3HG2  THR  78          3HG2      THR  78   3.676   8.444   7.550
  634    H    LYS  79           H        LYS  79   7.345   9.000   4.124
  635    HA   LYS  79           HA       LYS  79   6.073  11.571   3.532
  636   1HB   LYS  79          2HB       LYS  79   8.387  10.721   2.762
  637   2HB   LYS  79          3HB       LYS  79   7.523   9.851   1.519
  638   1HG   LYS  79          2HG       LYS  79   6.500  12.348   1.092
  639   2HG   LYS  79          3HG       LYS  79   7.944  12.805   1.987
  640   1HD   LYS  79          2HD       LYS  79   8.708  12.854  -0.235
  641   2HD   LYS  79          3HD       LYS  79   9.213  11.240   0.302
  642   1HE   LYS  79          2HE       LYS  79   6.727  10.642  -0.551
  643   2HE   LYS  79          3HE       LYS  79   6.965  12.065  -1.561
  644   1HZ   LYS  79          1HZ       LYS  79   8.700   9.665  -1.415
  645   2HZ   LYS  79          2HZ       LYS  79   7.668   9.995  -2.650
  646   3HZ   LYS  79          3HZ       LYS  79   9.010  10.941  -2.408
  647    H    MET  80           H        MET  80   4.782   8.475   3.568
  648    HA   MET  80           HA       MET  80   2.785   8.828   1.495
  649   1HB   MET  80          2HB       MET  80   3.332   6.619   2.389
  650   2HB   MET  80          3HB       MET  80   2.786   7.096   3.995
  651   1HG   MET  80          2HG       MET  80   0.584   7.095   3.436
  652   2HG   MET  80          3HG       MET  80   0.867   7.531   1.755
  653   1HE   MET  80          1HE       MET  80  -1.369   5.661   1.801
  654   2HE   MET  80          2HE       MET  80  -1.098   3.947   2.192
  655   3HE   MET  80          3HE       MET  80  -0.968   5.175   3.469
  656    H    ALA  81           H        ALA  81   2.683  11.092   1.958
  657    HA   ALA  81           HA       ALA  81   1.667  12.314   4.221
  658   1HB   ALA  81          1HB       ALA  81   1.547  13.230   1.313
  659   2HB   ALA  81          2HB       ALA  81   1.472  14.289   2.736
  660   3HB   ALA  81          3HB       ALA  81   2.954  13.381   2.391
  661    H    PHE  82           H        PHE  82  -0.088  10.270   2.804
  662    HA   PHE  82           HA       PHE  82  -2.709  11.207   2.148
  663   1HB   PHE  82          2HB       PHE  82  -1.659   9.190   1.293
  664   2HB   PHE  82          3HB       PHE  82  -1.474   8.538   2.910
  665    HD1  PHE  82           HD1      PHE  82  -4.398   9.886   0.874
  666    HD2  PHE  82           HD2      PHE  82  -2.784   6.684   3.279
  667    HE1  PHE  82           HE1      PHE  82  -6.536   8.651   0.692
  668    HE2  PHE  82           HE2      PHE  82  -4.905   5.440   3.049
  669    HZ   PHE  82           HZ       PHE  82  -6.801   6.436   1.817
  670    H    GLY  83           H        GLY  83  -3.945   9.004   3.958
  671   1HA   GLY  83          1HA       GLY  83  -4.151  10.369   6.582
  672   2HA   GLY  83          2HA       GLY  83  -5.567  10.474   5.537
  673    H    GLY  84           H        GLY  84  -5.698   7.855   4.484
  674   1HA   GLY  84          1HA       GLY  84  -5.507   5.506   5.337
  675   2HA   GLY  84          2HA       GLY  84  -6.010   6.116   6.906
  676    H    LEU  85           H        LEU  85  -7.288   4.082   5.413
  677    HA   LEU  85           HA       LEU  85  -9.895   5.256   4.534
  678   1HB   LEU  85          2HB       LEU  85  -8.554   2.589   4.037
  679   2HB   LEU  85          3HB       LEU  85 -10.174   3.006   3.494
  680    HG   LEU  85           HG       LEU  85  -7.523   4.149   2.542
  681   1HD1  LEU  85          1HD1      LEU  85  -9.776   2.586   1.193
  682   2HD1  LEU  85          2HD1      LEU  85  -8.322   3.189   0.380
  683   3HD1  LEU  85          3HD1      LEU  85  -8.181   1.956   1.642
  684   1HD2  LEU  85          1HD2      LEU  85  -9.120   6.019   2.588
  685   2HD2  LEU  85          2HD2      LEU  85  -8.807   5.485   0.939
  686   3HD2  LEU  85          3HD2      LEU  85 -10.331   5.012   1.746
  687    H    LYS  86           H        LYS  86 -10.535   5.579   6.727
  688    HA   LYS  86           HA       LYS  86 -10.689   3.962   8.880
  689   1HB   LYS  86          2HB       LYS  86 -13.036   5.644   7.900
  690   2HB   LYS  86          3HB       LYS  86 -12.847   5.001   9.534
  691   1HG   LYS  86          2HG       LYS  86 -10.731   6.311   9.793
  692   2HG   LYS  86          3HG       LYS  86 -11.012   7.033   8.192
  693   1HD   LYS  86          2HD       LYS  86 -13.201   7.918   8.993
  694   2HD   LYS  86          3HD       LYS  86 -12.886   7.224  10.598
  695   1HE   LYS  86          2HE       LYS  86 -10.847   8.630  10.804
  696   2HE   LYS  86          3HE       LYS  86 -11.145   9.309   9.198
  697   1HZ   LYS  86          1HZ       LYS  86 -12.979   9.578  11.520
  698   2HZ   LYS  86          2HZ       LYS  86 -11.978  10.756  10.964
  699   3HZ   LYS  86          3HZ       LYS  86 -13.224  10.231  10.034
  700    H    LYS  87           H        LYS  87 -13.089   3.535   6.289
  701    HA   LYS  87           HA       LYS  87 -14.694   1.462   7.563
  702   1HB   LYS  87          2HB       LYS  87 -14.055   2.148   4.708
  703   2HB   LYS  87          3HB       LYS  87 -15.232   0.907   5.148
  704   1HG   LYS  87          2HG       LYS  87 -16.799   2.627   5.922
  705   2HG   LYS  87          3HG       LYS  87 -15.584   3.907   5.596
  706   1HD   LYS  87          2HD       LYS  87 -15.375   3.129   3.281
  707   2HD   LYS  87          3HD       LYS  87 -16.556   1.839   3.561
  708   1HE   LYS  87          2HE       LYS  87 -18.319   3.593   3.721
  709   2HE   LYS  87          3HE       LYS  87 -17.068   4.808   3.362
  710   1HZ   LYS  87          1HZ       LYS  87 -17.979   2.591   1.619
  711   2HZ   LYS  87          2HZ       LYS  87 -17.899   4.187   1.236
  712   3HZ   LYS  87          3HZ       LYS  87 -16.532   3.247   1.370
  713    H    GLU  88           H        GLU  88 -13.881  -0.517   8.163
  714    HA   GLU  88           HA       GLU  88 -11.616  -1.821   7.166
  715   1HB   GLU  88          2HB       GLU  88 -12.456  -3.838   8.155
  716   2HB   GLU  88          3HB       GLU  88 -12.753  -2.444   9.192
  717   1HG   GLU  88          2HG       GLU  88 -15.146  -2.409   8.257
  718   2HG   GLU  88          3HG       GLU  88 -14.792  -3.994   7.560
  719    H    LYS  89           H        LYS  89 -14.912  -2.592   6.036
  720    HA   LYS  89           HA       LYS  89 -14.488  -4.238   3.911
  721   1HB   LYS  89          2HB       LYS  89 -16.360  -1.867   4.102
  722   2HB   LYS  89          3HB       LYS  89 -16.526  -3.135   2.912
  723   1HG   LYS  89          2HG       LYS  89 -16.592  -3.636   5.919
  724   2HG   LYS  89          3HG       LYS  89 -17.988  -3.239   4.943
  725   1HD   LYS  89          2HD       LYS  89 -16.172  -5.645   4.411
  726   2HD   LYS  89          3HD       LYS  89 -17.619  -5.727   5.421
  727   1HE   LYS  89          2HE       LYS  89 -19.055  -5.088   3.554
  728   2HE   LYS  89          3HE       LYS  89 -17.651  -4.814   2.508
  729   1HZ   LYS  89          1HZ       LYS  89 -18.409  -7.445   3.639
  730   2HZ   LYS  89          2HZ       LYS  89 -18.665  -6.967   2.088
  731   3HZ   LYS  89          3HZ       LYS  89 -17.133  -7.148   2.627
  732    H    ASP  90           H        ASP  90 -14.398  -0.843   3.684
  733    HA   ASP  90           HA       ASP  90 -13.707  -0.488   0.881
  734   1HB   ASP  90          2HB       ASP  90 -14.487   1.124   2.848
  735   2HB   ASP  90          3HB       ASP  90 -12.782   1.545   2.896
  736    H    ARG  91           H        ARG  91 -11.712  -1.167   3.694
  737    HA   ARG  91           HA       ARG  91  -9.222  -1.191   2.072
  738   1HB   ARG  91          2HB       ARG  91  -9.583  -2.226   4.930
  739   2HB   ARG  91          3HB       ARG  91  -8.078  -1.986   4.043
  740   1HG   ARG  91          2HG       ARG  91  -8.737   0.445   3.801
  741   2HG   ARG  91          3HG       ARG  91 -10.014   0.159   4.978
  742   1HD   ARG  91          2HD       ARG  91  -7.029  -0.123   5.403
  743   2HD   ARG  91          3HD       ARG  91  -8.027   1.189   5.999
  744    HE   ARG  91           HE       ARG  91  -7.421  -1.170   7.354
  745   1HH1  ARG  91          1HH2      ARG  91 -10.170   0.885   6.943
  746   2HH1  ARG  91          2HH2      ARG  91 -10.862   0.491   8.494
  747   1HH2  ARG  91          1HH1      ARG  91  -8.245  -1.564   9.308
  748   2HH2  ARG  91          2HH1      ARG  91  -9.844  -1.080   9.751
  749    H    ASN  92           H        ASN  92 -11.451  -3.616   3.501
  750    HA   ASN  92           HA       ASN  92 -10.069  -5.923   2.896
  751   1HB   ASN  92          2HB       ASN  92 -13.079  -5.526   2.733
  752   2HB   ASN  92          3HB       ASN  92 -12.301  -7.088   2.574
  753   1HD2  ASN  92          2HD2      ASN  92 -11.042  -7.920   4.432
  754   2HD2  ASN  92          1HD2      ASN  92 -11.612  -7.315   6.016
  755    H    ASP  93           H        ASP  93 -12.613  -4.723   0.630
  756    HA   ASP  93           HA       ASP  93 -11.755  -6.587  -1.411
  757   1HB   ASP  93          2HB       ASP  93 -13.700  -4.275  -1.330
  758   2HB   ASP  93          3HB       ASP  93 -13.361  -5.173  -2.800
  759    H    LEU  94           H        LEU  94 -10.706  -3.402  -0.660
  760    HA   LEU  94           HA       LEU  94  -9.440  -2.798  -3.234
  761   1HB   LEU  94          2HB       LEU  94 -10.255  -1.197  -1.360
  762   2HB   LEU  94          3HB       LEU  94  -8.689  -1.496  -0.610
  763    HG   LEU  94           HG       LEU  94  -9.280  -0.277  -3.348
  764   1HD1  LEU  94          1HD1      LEU  94  -8.001   0.921  -0.863
  765   2HD1  LEU  94          2HD1      LEU  94  -8.414   1.775  -2.362
  766   3HD1  LEU  94          3HD1      LEU  94  -9.701   1.130  -1.322
  767   1HD2  LEU  94          1HD2      LEU  94  -7.178  -1.352  -3.693
  768   2HD2  LEU  94          2HD2      LEU  94  -6.826   0.343  -3.364
  769   3HD2  LEU  94          3HD2      LEU  94  -6.584  -0.863  -2.085
  770    H    ILE  95           H        ILE  95  -8.277  -3.975  -0.075
  771    HA   ILE  95           HA       ILE  95  -5.580  -4.648  -0.864
  772    HB   ILE  95           HB       ILE  95  -7.409  -5.612   1.354
  773   1HG1  ILE  95          2HG1      ILE  95  -4.896  -3.869   1.447
  774   2HG1  ILE  95          3HG1      ILE  95  -6.517  -3.205   1.329
  775   1HG2  ILE  95          1HG2      ILE  95  -4.448  -6.270   1.014
  776   2HG2  ILE  95          2HG2      ILE  95  -5.448  -6.692   2.415
  777   3HG2  ILE  95          3HG2      ILE  95  -5.774  -7.438   0.874
  778   1HD1  ILE  95          1HD1      ILE  95  -5.378  -4.788   3.638
  779   2HD1  ILE  95          2HD1      ILE  95  -5.938  -3.107   3.609
  780   3HD1  ILE  95          3HD1      ILE  95  -7.116  -4.426   3.470
  781    H    THR  96           H        THR  96  -8.602  -6.612  -0.731
  782    HA   THR  96           HA       THR  96  -7.548  -8.999  -1.779
  783    HB   THR  96           HB       THR  96 -10.102  -8.014  -1.140
  784    HG1  THR  96           1HG      THR  96  -9.388 -10.566  -2.074
  785   1HG2  THR  96          1HG2      THR  96 -10.341  -9.407  -3.818
  786   2HG2  THR  96          2HG2      THR  96 -11.617  -8.790  -2.734
  787   3HG2  THR  96          3HG2      THR  96 -10.604  -7.661  -3.586
  788    H    TYR  97           H        TYR  97  -8.706  -6.178  -3.622
  789    HA   TYR  97           HA       TYR  97  -8.054  -7.154  -6.252
  790   1HB   TYR  97          2HB       TYR  97  -9.407  -5.262  -6.219
  791   2HB   TYR  97          3HB       TYR  97  -8.483  -4.456  -4.985
  792    HD1  TYR  97           HD1      TYR  97  -6.679  -2.991  -5.473
  793    HD2  TYR  97           HD2      TYR  97  -8.372  -5.432  -8.601
  794    HE1  TYR  97           HE1      TYR  97  -5.297  -1.802  -7.145
  795    HE2  TYR  97           HE2      TYR  97  -7.020  -4.183 -10.293
  796    HH   TYR  97           HH       TYR  97  -4.711  -1.653  -9.329
  797    H    LEU  98           H        LEU  98  -6.161  -5.139  -4.006
  798    HA   LEU  98           HA       LEU  98  -3.895  -4.858  -5.658
  799   1HB   LEU  98          2HB       LEU  98  -4.685  -4.057  -3.035
  800   2HB   LEU  98          3HB       LEU  98  -3.194  -4.894  -2.787
  801    HG   LEU  98           HG       LEU  98  -3.487  -2.695  -4.889
  802   1HD1  LEU  98          1HD1      LEU  98  -2.572  -2.440  -1.994
  803   2HD1  LEU  98          2HD1      LEU  98  -2.537  -1.157  -3.226
  804   3HD1  LEU  98          3HD1      LEU  98  -4.088  -1.805  -2.669
  805   1HD2  LEU  98          1HD2      LEU  98  -1.474  -4.157  -5.101
  806   2HD2  LEU  98          2HD2      LEU  98  -1.043  -2.513  -4.625
  807   3HD2  LEU  98          3HD2      LEU  98  -1.052  -3.823  -3.414
  808    H    LYS  99           H        LYS  99  -4.572  -7.358  -3.318
  809    HA   LYS  99           HA       LYS  99  -2.188  -8.933  -3.606
  810   1HB   LYS  99          2HB       LYS  99  -4.215  -9.143  -1.968
  811   2HB   LYS  99          3HB       LYS  99  -4.976 -10.088  -3.254
  812   1HG   LYS  99          2HG       LYS  99  -2.871 -11.558  -3.219
  813   2HG   LYS  99          3HG       LYS  99  -2.360 -10.635  -1.792
  814   1HD   LYS  99          2HD       LYS  99  -4.806 -11.286  -0.927
  815   2HD   LYS  99          3HD       LYS  99  -4.651 -12.590  -2.109
  816   1HE   LYS  99          2HE       LYS  99  -2.782 -11.953   0.216
  817   2HE   LYS  99          3HE       LYS  99  -3.981 -13.229   0.186
  818   1HZ   LYS  99          1HZ       LYS  99  -1.528 -13.121  -1.525
  819   2HZ   LYS  99          2HZ       LYS  99  -1.863 -14.207  -0.359
  820   3HZ   LYS  99          3HZ       LYS  99  -2.669 -14.155  -1.811
  821    H    LYS 100           H        LYS 100  -5.234  -8.986  -5.437
  822    HA   LYS 100           HA       LYS 100  -4.361 -11.004  -7.315
  823   1HB   LYS 100          2HB       LYS 100  -6.777 -10.072  -6.556
  824   2HB   LYS 100          3HB       LYS 100  -6.647  -9.210  -8.072
  825   1HG   LYS 100          2HG       LYS 100  -6.179 -12.230  -7.831
  826   2HG   LYS 100          3HG       LYS 100  -7.785 -11.552  -7.951
  827   1HD   LYS 100          2HD       LYS 100  -7.701 -11.504 -10.142
  828   2HD   LYS 100          3HD       LYS 100  -6.339 -10.407 -10.135
  829   1HE   LYS 100          2HE       LYS 100  -6.143 -13.457  -9.964
  830   2HE   LYS 100          3HE       LYS 100  -5.981 -12.512 -11.458
  831   1HZ   LYS 100          1HZ       LYS 100  -4.161 -12.449  -9.105
  832   2HZ   LYS 100          2HZ       LYS 100  -3.732 -12.965 -10.501
  833   3HZ   LYS 100          3HZ       LYS 100  -4.056 -11.356 -10.282
  834    H    ALA 101           H        ALA 101  -3.656  -7.762  -7.140
  835    HA   ALA 101           HA       ALA 101  -2.845  -7.463  -9.975
  836   1HB   ALA 101          1HB       ALA 101  -2.457  -5.556  -7.649
  837   2HB   ALA 101          2HB       ALA 101  -2.257  -5.211  -9.383
  838   3HB   ALA 101          3HB       ALA 101  -3.866  -5.571  -8.737
  839    H    THR 102           H        THR 102  -1.378  -8.816  -7.164
  840    HA   THR 102           HA       THR 102   1.259  -8.755  -8.587
  841    HB   THR 102           HB       THR 102   1.421  -7.589  -6.481
  842    HG1  THR 102           1HG      THR 102   2.761  -9.994  -7.008
  843   1HG2  THR 102          1HG2      THR 102   0.952 -10.315  -5.190
  844   2HG2  THR 102          2HG2      THR 102   1.632  -8.886  -4.398
  845   3HG2  THR 102          3HG2      THR 102  -0.044  -8.855  -4.984
  846    H    GLU 103           H        GLU 103  -1.248 -10.833  -7.247
  847    HA   GLU 103           HA       GLU 103   0.067 -13.236  -8.384
  848   1HB   GLU 103          2HB       GLU 103  -0.858 -14.562  -6.473
  849   2HB   GLU 103          3HB       GLU 103   0.504 -13.526  -6.072
  850   1HG   GLU 103          2HG       GLU 103  -0.945 -11.906  -4.989
  851   2HG   GLU 103          3HG       GLU 103  -2.393 -12.778  -5.470
  852    HHA  HEC 104           HHA      HEC 104   5.416   3.354   0.852
  853    HHB  HEC 104           HHB      HEC 104  -0.279   0.492  -0.085
  854    HHC  HEC 104           HHC      HEC 104  -2.953   6.298  -1.275
  855    HHD  HEC 104           HHD      HEC 104   2.896   8.947  -1.193
  856   1HMA  HEC 104          1HMA      HEC 104   1.788  -1.020   1.551
  857   2HMA  HEC 104          2HMA      HEC 104   1.417  -1.040  -0.197
  858   3HMA  HEC 104          3HMA      HEC 104   3.069  -1.300   0.350
  859   1HAA  HEC 104          1HAA      HEC 104   4.579  -0.235   1.730
  860   2HAA  HEC 104          2HAA      HEC 104   5.273   1.351   2.044
  861   1HBA  HEC 104          1HBA      HEC 104   6.085   1.411  -0.332
  862   2HBA  HEC 104          2HBA      HEC 104   5.393  -0.183  -0.586
  863   1HMB  HEC 104          1HMB      HEC 104  -3.742   0.877  -0.107
  864   2HMB  HEC 104          2HMB      HEC 104  -3.434   0.892  -1.854
  865   3HMB  HEC 104          3HMB      HEC 104  -2.280   0.141  -0.764
  866    HAB  HEC 104           HAB      HEC 104  -4.423   4.912  -1.344
  867   1HBB  HEC 104          1HBB      HEC 104  -4.775   3.979   0.909
  868   2HBB  HEC 104          2HBB      HEC 104  -6.197   3.979  -0.145
  869   3HBB  HEC 104          3HBB      HEC 104  -5.324   2.466   0.152
  870   1HMC  HEC 104          1HMC      HEC 104  -3.134   8.711  -1.146
  871   2HMC  HEC 104          2HMC      HEC 104  -2.289   9.916  -2.119
  872   3HMC  HEC 104          3HMC      HEC 104  -2.733   8.359  -2.836
  873    HAC  HEC 104           HAC      HEC 104   1.632  10.138  -2.270
  874   1HBC  HEC 104          1HBC      HEC 104   0.630  11.189  -0.329
  875   2HBC  HEC 104          2HBC      HEC 104   0.569  12.227  -1.767
  876   3HBC  HEC 104          3HBC      HEC 104  -0.897  11.399  -1.209
  877   1HMD  HEC 104          1HMD      HEC 104   6.175   8.704   0.331
  878   2HMD  HEC 104          2HMD      HEC 104   6.233   8.362  -1.399
  879   3HMD  HEC 104          3HMD      HEC 104   4.926   9.346  -0.733
  880   1HAD  HEC 104          1HAD      HEC 104   6.924   4.881   1.110
  881   2HAD  HEC 104          2HAD      HEC 104   6.797   6.526   1.678
  882   1HBD  HEC 104          1HBD      HEC 104   7.559   6.582  -1.125
  883   2HBD  HEC 104          2HBD      HEC 104   8.567   5.420  -0.324
  Start of MODEL   11
    1   1H    THR  -5          H1        THR  -5 -13.087  -5.912  13.273
    2   2H    THR  -5          H2        THR  -5 -13.610  -6.456  11.782
    3   3H    THR  -5          H3        THR  -5 -13.645  -4.855  12.119
    4    HA   THR  -5           HA       THR  -5 -11.860  -5.430  10.659
    5    HB   THR  -5           HB       THR  -5 -10.656  -4.495  13.256
    6    HG1  THR  -5           1HG      THR  -5 -12.639  -3.218  11.669
    7   1HG2  THR  -5          1HG2      THR  -5 -10.455  -3.565  10.355
    8   2HG2  THR  -5          2HG2      THR  -5  -9.556  -2.902  11.741
    9   3HG2  THR  -5          3HG2      THR  -5  -9.250  -4.561  11.206
   10    H    GLU  -4           H        GLU  -4 -11.113  -7.392  10.100
   11    HA   GLU  -4           HA       GLU  -4  -8.773  -8.293  11.373
   12   1HB   GLU  -4          2HB       GLU  -4  -9.616  -9.617  12.888
   13   2HB   GLU  -4          3HB       GLU  -4 -11.206  -9.685  12.215
   14   1HG   GLU  -4          2HG       GLU  -4  -9.059 -11.371  10.922
   15   2HG   GLU  -4          3HG       GLU  -4  -9.626 -11.804  12.531
   16    H    PHE  -3           H        PHE  -3 -10.844 -10.417   9.384
   17    HA   PHE  -3           HA       PHE  -3 -10.295  -9.034   6.970
   18   1HB   PHE  -3          2HB       PHE  -3  -8.103 -10.166   7.058
   19   2HB   PHE  -3          3HB       PHE  -3  -8.906 -11.729   7.158
   20    HD1  PHE  -3           HD1      PHE  -3  -9.130  -8.615   5.014
   21    HD2  PHE  -3           HD2      PHE  -3  -8.952 -12.918   5.097
   22    HE1  PHE  -3           HE1      PHE  -3  -9.305  -8.676   2.534
   23    HE2  PHE  -3           HE2      PHE  -3  -9.041 -12.964   2.618
   24    HZ   PHE  -3           HZ       PHE  -3  -9.230 -10.830   1.323
   25    H    LYS  -2           H        LYS  -2 -12.046  -9.229   5.888
   26    HA   LYS  -2           HA       LYS  -2 -13.724 -11.688   5.808
   27   1HB   LYS  -2          2HB       LYS  -2 -14.327  -9.108   7.089
   28   2HB   LYS  -2          3HB       LYS  -2 -15.454  -9.415   5.802
   29   1HG   LYS  -2          2HG       LYS  -2 -16.384 -10.228   7.828
   30   2HG   LYS  -2          3HG       LYS  -2 -16.041 -11.627   6.819
   31   1HD   LYS  -2          2HD       LYS  -2 -13.917 -10.806   8.781
   32   2HD   LYS  -2          3HD       LYS  -2 -15.413 -11.412   9.477
   33   1HE   LYS  -2          2HE       LYS  -2 -15.224 -13.537   8.325
   34   2HE   LYS  -2          3HE       LYS  -2 -13.868 -12.933   7.353
   35   1HZ   LYS  -2          1HZ       LYS  -2 -13.733 -13.368  10.294
   36   2HZ   LYS  -2          2HZ       LYS  -2 -12.887 -14.177   9.131
   37   3HZ   LYS  -2          3HZ       LYS  -2 -12.627 -12.626   9.453
   38    H    ALA  -1           H        ALA  -1 -11.847 -10.190   3.974
   39    HA   ALA  -1           HA       ALA  -1 -11.549  -9.815   1.768
   40   1HB   ALA  -1          1HB       ALA  -1 -13.718 -11.921   1.508
   41   2HB   ALA  -1          2HB       ALA  -1 -12.421 -11.579   0.347
   42   3HB   ALA  -1          3HB       ALA  -1 -12.020 -12.243   1.937
   43    H    GLY   1           H        GLY   1 -12.486  -9.568  -0.478
   44   1HA   GLY   1          1HA       GLY   1 -14.999  -8.078  -0.701
   45   2HA   GLY   1          2HA       GLY   1 -13.498  -7.210  -1.077
   46    H    SER   2           H        SER   2 -14.058  -7.051  -3.234
   47    HA   SER   2           HA       SER   2 -13.675  -9.557  -4.874
   48   1HB   SER   2          2HB       SER   2 -16.106  -8.860  -4.813
   49   2HB   SER   2          3HB       SER   2 -15.625  -7.388  -5.670
   50    HG   SER   2           HG       SER   2 -15.335 -10.088  -6.479
   51    H    ALA   3           H        ALA   3 -11.811  -9.329  -5.944
   52    HA   ALA   3           HA       ALA   3 -10.162  -7.233  -5.878
   53   1HB   ALA   3          1HB       ALA   3 -10.312  -9.212  -8.193
   54   2HB   ALA   3          2HB       ALA   3  -8.889  -8.258  -7.721
   55   3HB   ALA   3          3HB       ALA   3  -9.523  -9.488  -6.619
   56    H    LYS   4           H        LYS   4 -12.446  -7.583  -8.594
   57    HA   LYS   4           HA       LYS   4 -11.600  -5.273 -10.038
   58   1HB   LYS   4          2HB       LYS   4 -13.697  -5.454 -11.279
   59   2HB   LYS   4          3HB       LYS   4 -12.993  -7.054 -11.030
   60   1HG   LYS   4          2HG       LYS   4 -14.564  -7.403  -9.086
   61   2HG   LYS   4          3HG       LYS   4 -15.297  -5.827  -9.436
   62   1HD   LYS   4          2HD       LYS   4 -15.908  -6.633 -11.710
   63   2HD   LYS   4          3HD       LYS   4 -15.274  -8.233 -11.308
   64   1HE   LYS   4          2HE       LYS   4 -17.508  -6.770  -9.811
   65   2HE   LYS   4          3HE       LYS   4 -17.769  -7.991 -11.056
   66   1HZ   LYS   4          1HZ       LYS   4 -16.385  -8.501  -8.458
   67   2HZ   LYS   4          2HZ       LYS   4 -17.909  -8.959  -8.847
   68   3HZ   LYS   4          3HZ       LYS   4 -16.635  -9.607  -9.648
   69    H    LYS   5           H        LYS   5 -13.532  -5.431  -7.356
   70    HA   LYS   5           HA       LYS   5 -14.588  -2.631  -7.486
   71   1HB   LYS   5          2HB       LYS   5 -16.067  -4.400  -6.612
   72   2HB   LYS   5          3HB       LYS   5 -14.979  -4.666  -5.253
   73   1HG   LYS   5          2HG       LYS   5 -15.934  -1.832  -5.760
   74   2HG   LYS   5          3HG       LYS   5 -17.121  -3.002  -5.171
   75   1HD   LYS   5          2HD       LYS   5 -15.802  -3.538  -3.255
   76   2HD   LYS   5          3HD       LYS   5 -14.460  -2.507  -3.793
   77   1HE   LYS   5          2HE       LYS   5 -16.011  -0.526  -3.590
   78   2HE   LYS   5          3HE       LYS   5 -17.230  -1.626  -2.913
   79   1HZ   LYS   5          1HZ       LYS   5 -14.573  -1.010  -1.760
   80   2HZ   LYS   5          2HZ       LYS   5 -16.030  -0.693  -1.056
   81   3HZ   LYS   5          3HZ       LYS   5 -15.452  -2.247  -1.240
   82    H    GLY   6           H        GLY   6 -12.248  -4.556  -5.537
   83   1HA   GLY   6          1HA       GLY   6 -11.104  -2.360  -4.112
   84   2HA   GLY   6          2HA       GLY   6 -10.264  -3.845  -4.555
   85    H    ALA   7           H        ALA   7 -10.270  -3.634  -7.366
   86    HA   ALA   7           HA       ALA   7  -8.231  -1.851  -8.049
   87   1HB   ALA   7          1HB       ALA   7 -10.376  -2.923  -9.944
   88   2HB   ALA   7          2HB       ALA   7  -8.705  -2.476 -10.333
   89   3HB   ALA   7          3HB       ALA   7  -9.043  -3.902  -9.335
   90    H    THR   8           H        THR   8 -11.712  -1.474  -8.772
   91    HA   THR   8           HA       THR   8 -11.438   1.212  -9.830
   92    HB   THR   8           HB       THR   8 -13.979   1.312  -9.447
   93    HG1  THR   8           1HG      THR   8 -13.631  -1.481  -9.186
   94   1HG2  THR   8          1HG2      THR   8 -12.804  -0.926 -11.155
   95   2HG2  THR   8          2HG2      THR   8 -14.407  -0.184 -11.350
   96   3HG2  THR   8          3HG2      THR   8 -12.950   0.784 -11.628
   97    H    LEU   9           H        LEU   9 -11.715   0.085  -6.499
   98    HA   LEU   9           HA       LEU   9 -12.192   2.673  -5.404
   99   1HB   LEU   9          2HB       LEU   9 -12.366   0.161  -4.374
  100   2HB   LEU   9          3HB       LEU   9 -10.721   0.511  -3.883
  101    HG   LEU   9           HG       LEU   9 -11.959   2.855  -3.236
  102   1HD1  LEU   9          1HD1      LEU   9 -14.001   0.645  -2.830
  103   2HD1  LEU   9          2HD1      LEU   9 -14.123   2.253  -2.106
  104   3HD1  LEU   9          3HD1      LEU   9 -14.180   2.065  -3.874
  105   1HD2  LEU   9          1HD2      LEU   9 -10.522   1.529  -1.743
  106   2HD2  LEU   9          2HD2      LEU   9 -11.955   2.131  -0.920
  107   3HD2  LEU   9          3HD2      LEU   9 -11.867   0.420  -1.420
  108    H    PHE  10           H        PHE  10  -9.234   0.636  -5.551
  109    HA   PHE  10           HA       PHE  10  -7.260   2.405  -4.730
  110   1HB   PHE  10          2HB       PHE  10  -6.761   0.115  -5.055
  111   2HB   PHE  10          3HB       PHE  10  -7.326   0.121  -6.711
  112    HD1  PHE  10           HD1      PHE  10  -5.988   0.999  -8.554
  113    HD2  PHE  10           HD2      PHE  10  -4.423   0.737  -4.547
  114    HE1  PHE  10           HE1      PHE  10  -3.680   1.254  -9.427
  115    HE2  PHE  10           HE2      PHE  10  -2.117   1.102  -5.432
  116    HZ   PHE  10           HZ       PHE  10  -1.756   1.393  -7.860
  117    H    LYS  11           H        LYS  11  -8.695   2.167  -7.939
  118    HA   LYS  11           HA       LYS  11  -7.076   3.978  -9.408
  119   1HB   LYS  11          2HB       LYS  11  -8.872   2.418 -10.263
  120   2HB   LYS  11          3HB       LYS  11 -10.081   3.588  -9.711
  121   1HG   LYS  11          2HG       LYS  11  -9.073   5.295 -11.243
  122   2HG   LYS  11          3HG       LYS  11  -7.872   4.094 -11.755
  123   1HD   LYS  11          2HD       LYS  11  -9.716   2.654 -12.615
  124   2HD   LYS  11          3HD       LYS  11 -10.890   3.914 -12.145
  125   1HE   LYS  11          2HE       LYS  11  -9.702   5.547 -13.605
  126   2HE   LYS  11          3HE       LYS  11  -8.535   4.300 -14.058
  127   1HZ   LYS  11          1HZ       LYS  11 -11.443   4.203 -14.650
  128   2HZ   LYS  11          2HZ       LYS  11 -10.250   4.524 -15.735
  129   3HZ   LYS  11          3HZ       LYS  11 -10.350   3.037 -15.050
  130    H    THR  12           H        THR  12  -9.501   4.719  -7.034
  131    HA   THR  12           HA       THR  12  -8.857   7.612  -7.174
  132    HB   THR  12           HB       THR  12 -10.892   7.237  -8.446
  133    HG1  THR  12           1HG      THR  12 -12.030   8.876  -7.378
  134   1HG2  THR  12          1HG2      THR  12 -12.277   6.506  -5.846
  135   2HG2  THR  12          2HG2      THR  12 -13.020   6.754  -7.435
  136   3HG2  THR  12          3HG2      THR  12 -11.940   5.376  -7.173
  137    H    ARG  13           H        ARG  13  -7.740   5.730  -5.564
  138    HA   ARG  13           HA       ARG  13  -8.041   7.191  -2.977
  139   1HB   ARG  13          2HB       ARG  13  -7.681   4.166  -3.190
  140   2HB   ARG  13          3HB       ARG  13  -7.558   5.093  -1.699
  141   1HG   ARG  13          2HG       ARG  13 -10.078   4.741  -3.356
  142   2HG   ARG  13          3HG       ARG  13  -9.631   3.834  -1.923
  143   1HD   ARG  13          2HD       ARG  13  -9.631   6.035  -0.656
  144   2HD   ARG  13          3HD       ARG  13 -10.277   6.805  -2.085
  145    HE   ARG  13           HE       ARG  13 -11.709   4.921  -0.311
  146   1HH1  ARG  13          1HH2      ARG  13 -11.739   6.527  -3.418
  147   2HH1  ARG  13          2HH2      ARG  13 -13.436   6.215  -3.672
  148   1HH2  ARG  13          1HH1      ARG  13 -13.776   4.245  -0.797
  149   2HH2  ARG  13          2HH1      ARG  13 -14.561   4.944  -2.191
  150    H    CYS  14           H        CYS  14  -6.048   5.099  -5.039
  151    HA   CYS  14           HA       CYS  14  -3.594   5.837  -3.509
  152   1HB   CYS  14          2HB       CYS  14  -4.135   3.304  -5.008
  153   2HB   CYS  14          3HB       CYS  14  -2.918   3.563  -3.770
  154    H    LEU  15           H        LEU  15  -4.840   4.856  -6.734
  155    HA   LEU  15           HA       LEU  15  -2.474   4.843  -8.150
  156   1HB   LEU  15          2HB       LEU  15  -4.667   3.961  -8.870
  157   2HB   LEU  15          3HB       LEU  15  -5.253   5.614  -9.073
  158    HG   LEU  15           HG       LEU  15  -3.523   5.973 -10.853
  159   1HD1  LEU  15          1HD1      LEU  15  -3.094   2.960 -10.684
  160   2HD1  LEU  15          2HD1      LEU  15  -2.430   4.063 -11.901
  161   3HD1  LEU  15          3HD1      LEU  15  -1.901   4.195 -10.226
  162   1HD2  LEU  15          1HD2      LEU  15  -5.832   5.364 -11.384
  163   2HD2  LEU  15          2HD2      LEU  15  -4.689   4.691 -12.562
  164   3HD2  LEU  15          3HD2      LEU  15  -5.397   3.633 -11.319
  165    H    GLN  16           H        GLN  16  -4.264   7.705  -7.169
  166    HA   GLN  16           HA       GLN  16  -3.071   9.692  -8.779
  167   1HB   GLN  16          2HB       GLN  16  -3.570  11.228  -6.953
  168   2HB   GLN  16          3HB       GLN  16  -4.917  10.135  -7.256
  169   1HG   GLN  16          2HG       GLN  16  -4.287   8.775  -5.278
  170   2HG   GLN  16          3HG       GLN  16  -2.893   9.825  -4.988
  171   1HE2  GLN  16          2HE2      GLN  16  -3.238  11.577  -3.532
  172   2HE2  GLN  16          1HE2      GLN  16  -4.909  12.037  -3.143
  173    H    CYS  17           H        CYS  17  -1.568   7.790  -6.253
  174    HA   CYS  17           HA       CYS  17   0.938   9.432  -6.476
  175   1HB   CYS  17          2HB       CYS  17  -0.106   7.765  -4.173
  176   2HB   CYS  17          3HB       CYS  17   1.506   8.464  -4.257
  177    H    HIS  18           H        HIS  18  -0.384   6.140  -6.469
  178    HA   HIS  18           HA       HIS  18   2.317   4.903  -6.723
  179   1HB   HIS  18          1HB       HIS  18  -0.449   3.963  -5.869
  180   2HB   HIS  18          2HB       HIS  18   0.784   2.802  -6.299
  181    HD1  HIS  18           HD1      HIS  18   3.025   2.738  -4.784
  182    HD2  HIS  18           HD2      HIS  18  -0.238   5.002  -3.396
  183    HE1  HIS  18           HE1      HIS  18   3.446   3.173  -2.312
  184    H    THR  19           H        THR  19   2.394   2.797  -8.010
  185    HA   THR  19           HA       THR  19   0.381   2.638 -10.196
  186    HB   THR  19           HB       THR  19   1.970   1.848 -11.817
  187    HG1  THR  19           1HG      THR  19   3.547   0.996 -10.521
  188   1HG2  THR  19          1HG2      THR  19   3.010   4.478 -10.699
  189   2HG2  THR  19          2HG2      THR  19   3.119   3.899 -12.366
  190   3HG2  THR  19          3HG2      THR  19   1.536   4.315 -11.682
  191    H    VAL  20           H        VAL  20  -0.020   0.523 -10.963
  192    HA   VAL  20           HA       VAL  20   0.648  -1.624  -8.995
  193    HB   VAL  20           HB       VAL  20  -1.672  -0.771  -9.043
  194   1HG1  VAL  20          1HG1      VAL  20  -1.973  -2.185 -11.713
  195   2HG1  VAL  20          2HG1      VAL  20  -3.190  -1.253 -10.828
  196   3HG1  VAL  20          3HG1      VAL  20  -1.821  -0.421 -11.554
  197   1HG2  VAL  20          1HG2      VAL  20  -1.119  -3.023  -8.197
  198   2HG2  VAL  20          2HG2      VAL  20  -2.763  -2.873  -8.830
  199   3HG2  VAL  20          3HG2      VAL  20  -1.523  -3.686  -9.800
  200    H    GLU  21           H        GLU  21   0.802  -0.829 -12.363
  201    HA   GLU  21           HA       GLU  21   1.567  -3.651 -13.009
  202   1HB   GLU  21          2HB       GLU  21   1.356  -1.477 -15.050
  203   2HB   GLU  21          3HB       GLU  21   1.236  -3.208 -15.270
  204   1HG   GLU  21          2HG       GLU  21  -0.970  -3.288 -14.220
  205   2HG   GLU  21          3HG       GLU  21  -0.881  -1.577 -13.791
  206    H    LYS  22           H        LYS  22   3.510  -4.073 -14.180
  207    HA   LYS  22           HA       LYS  22   5.749  -2.599 -13.086
  208   1HB   LYS  22          2HB       LYS  22   5.338  -5.204 -13.566
  209   2HB   LYS  22          3HB       LYS  22   6.137  -4.803 -15.089
  210   1HG   LYS  22          2HG       LYS  22   8.066  -3.867 -13.811
  211   2HG   LYS  22          3HG       LYS  22   7.221  -4.197 -12.279
  212   1HD   LYS  22          2HD       LYS  22   7.111  -6.608 -12.878
  213   2HD   LYS  22          3HD       LYS  22   7.980  -6.266 -14.362
  214   1HE   LYS  22          2HE       LYS  22   8.951  -5.988 -11.463
  215   2HE   LYS  22          3HE       LYS  22   9.461  -7.228 -12.611
  216   1HZ   LYS  22          1HZ       LYS  22  10.161  -4.345 -12.615
  217   2HZ   LYS  22          2HZ       LYS  22  11.134  -5.503 -12.375
  218   3HZ   LYS  22          3HZ       LYS  22  10.533  -5.351 -13.911
  219    H    GLY  23           H        GLY  23   7.215  -1.385 -14.099
  220   1HA   GLY  23          1HA       GLY  23   8.179  -0.087 -15.905
  221   2HA   GLY  23          2HA       GLY  23   6.820  -0.526 -16.941
  222    H    GLY  24           H        GLY  24   4.873   0.029 -14.655
  223   1HA   GLY  24          1HA       GLY  24   4.028   2.620 -14.808
  224   2HA   GLY  24          2HA       GLY  24   3.941   1.633 -13.355
  225    HA   PRO  25           HA       PRO  25   7.772   4.596 -13.279
  226   1HB   PRO  25          2HB       PRO  25   7.107   7.244 -13.582
  227   2HB   PRO  25          3HB       PRO  25   7.497   6.160 -14.955
  228   1HG   PRO  25          2HG       PRO  25   4.751   6.897 -13.888
  229   2HG   PRO  25          3HG       PRO  25   5.322   6.925 -15.590
  230   1HD   PRO  25          2HD       PRO  25   3.920   4.824 -14.594
  231   2HD   PRO  25          3HD       PRO  25   5.272   4.560 -15.738
  232    H    HIS  26           H        HIS  26   8.486   5.158 -11.334
  233    HA   HIS  26           HA       HIS  26   6.843   5.275  -8.990
  234   1HB   HIS  26          2HB       HIS  26   9.789   5.759  -9.542
  235   2HB   HIS  26          3HB       HIS  26   9.050   6.008  -7.962
  236    HD1  HIS  26           HD1      HIS  26   9.468   2.949 -10.371
  237    HD2  HIS  26           HD2      HIS  26   9.060   4.124  -6.358
  238    HE1  HIS  26           HE1      HIS  26   9.780   0.842  -8.931
  239    H    LYS  27           H        LYS  27   5.400   6.881  -9.372
  240    HA   LYS  27           HA       LYS  27   6.044   9.756  -9.118
  241   1HB   LYS  27          2HB       LYS  27   3.553   8.024  -9.236
  242   2HB   LYS  27          3HB       LYS  27   3.406   9.608  -8.486
  243   1HG   LYS  27          2HG       LYS  27   4.342  10.702 -10.468
  244   2HG   LYS  27          3HG       LYS  27   4.440   9.134 -11.299
  245   1HD   LYS  27          2HD       LYS  27   2.045   8.893 -11.324
  246   2HD   LYS  27          3HD       LYS  27   1.828  10.153 -10.108
  247   1HE   LYS  27          2HE       LYS  27   1.158  11.067 -12.218
  248   2HE   LYS  27          3HE       LYS  27   2.621  11.882 -11.657
  249   1HZ   LYS  27          1HZ       LYS  27   2.487   9.772 -13.740
  250   2HZ   LYS  27          2HZ       LYS  27   2.816  11.362 -13.986
  251   3HZ   LYS  27          3HZ       LYS  27   3.889  10.418 -13.175
  252    H    VAL  28           H        VAL  28   4.153  10.258  -6.986
  253    HA   VAL  28           HA       VAL  28   5.845  10.468  -4.781
  254    HB   VAL  28           HB       VAL  28   2.814  10.274  -4.682
  255   1HG1  VAL  28          1HG1      VAL  28   4.780  11.786  -2.904
  256   2HG1  VAL  28          2HG1      VAL  28   3.006  11.866  -2.797
  257   3HG1  VAL  28          3HG1      VAL  28   3.842  10.357  -2.434
  258   1HG2  VAL  28          1HG2      VAL  28   3.393  11.920  -6.393
  259   2HG2  VAL  28          2HG2      VAL  28   2.846  12.759  -4.951
  260   3HG2  VAL  28          3HG2      VAL  28   4.585  12.671  -5.305
  261    H    GLY  29           H        GLY  29   3.851   7.628  -5.594
  262   1HA   GLY  29          1HA       GLY  29   5.054   6.241  -3.236
  263   2HA   GLY  29          2HA       GLY  29   3.427   5.897  -3.808
  264    HA   PRO  30           HA       PRO  30   6.956   3.769  -6.202
  265   1HB   PRO  30          2HB       PRO  30   7.353   1.310  -4.901
  266   2HB   PRO  30          3HB       PRO  30   8.268   2.803  -4.561
  267   1HG   PRO  30          2HG       PRO  30   5.780   1.755  -3.153
  268   2HG   PRO  30          3HG       PRO  30   7.311   2.334  -2.416
  269   1HD   PRO  30          2HD       PRO  30   5.239   4.006  -2.555
  270   2HD   PRO  30          3HD       PRO  30   6.853   4.576  -2.990
  271    H    ASN  31           H        ASN  31   7.147   1.724  -7.397
  272    HA   ASN  31           HA       ASN  31   4.560   0.660  -8.332
  273   1HB   ASN  31          2HB       ASN  31   6.509   1.320  -9.836
  274   2HB   ASN  31          3HB       ASN  31   7.386  -0.085  -9.202
  275   1HD2  ASN  31          2HD2      ASN  31   6.176   0.653 -11.936
  276   2HD2  ASN  31          1HD2      ASN  31   5.061  -0.699 -12.205
  277    H    LEU  32           H        LEU  32   3.672  -0.693  -6.836
  278    HA   LEU  32           HA       LEU  32   5.493  -2.424  -5.259
  279   1HB   LEU  32          2HB       LEU  32   4.161  -1.906  -3.342
  280   2HB   LEU  32          3HB       LEU  32   4.880  -0.504  -4.094
  281    HG   LEU  32           HG       LEU  32   2.704   0.243  -4.942
  282   1HD1  LEU  32          1HD1      LEU  32   1.553  -2.227  -3.598
  283   2HD1  LEU  32          2HD1      LEU  32   0.616  -0.837  -4.187
  284   3HD1  LEU  32          3HD1      LEU  32   1.515  -1.833  -5.337
  285   1HD2  LEU  32          1HD2      LEU  32   3.481   0.808  -2.638
  286   2HD2  LEU  32          2HD2      LEU  32   1.707   0.734  -2.753
  287   3HD2  LEU  32          3HD2      LEU  32   2.613  -0.608  -2.024
  288    H    HIS  33           H        HIS  33   3.757  -3.418  -7.531
  289    HA   HIS  33           HA       HIS  33   1.996  -5.517  -6.477
  290   1HB   HIS  33          2HB       HIS  33   1.622  -5.960  -8.627
  291   2HB   HIS  33          3HB       HIS  33   2.168  -4.320  -8.788
  292    HD1  HIS  33           HD1      HIS  33   2.982  -7.814  -9.712
  293    HD2  HIS  33           HD2      HIS  33   4.741  -4.009  -9.919
  294    HE1  HIS  33           HE1      HIS  33   4.918  -8.003 -11.408
  295    H    GLY  34           H        GLY  34   4.556  -5.457  -5.145
  296   1HA   GLY  34          1HA       GLY  34   5.332  -8.322  -5.304
  297   2HA   GLY  34          2HA       GLY  34   6.601  -7.127  -5.561
  298    H    ILE  35           H        ILE  35   3.899  -6.712  -3.252
  299    HA   ILE  35           HA       ILE  35   5.716  -6.819  -0.971
  300    HB   ILE  35           HB       ILE  35   3.946  -5.997   0.359
  301   1HG1  ILE  35          2HG1      ILE  35   1.916  -6.938  -0.672
  302   2HG1  ILE  35          3HG1      ILE  35   1.832  -5.256  -0.245
  303   1HG2  ILE  35          1HG2      ILE  35   4.268  -4.287  -2.100
  304   2HG2  ILE  35          2HG2      ILE  35   3.817  -3.748  -0.470
  305   3HG2  ILE  35          3HG2      ILE  35   5.419  -4.440  -0.768
  306   1HD1  ILE  35          1HD1      ILE  35   2.201  -6.239  -3.092
  307   2HD1  ILE  35          2HD1      ILE  35   0.676  -5.748  -2.345
  308   3HD1  ILE  35          3HD1      ILE  35   1.952  -4.556  -2.544
  309    H    PHE  36           H        PHE  36   3.082  -7.925   0.405
  310    HA   PHE  36           HA       PHE  36   2.643  -9.842   1.513
  311   1HB   PHE  36          2HB       PHE  36   2.311 -10.721  -1.325
  312   2HB   PHE  36          3HB       PHE  36   1.717 -11.607   0.083
  313    HD1  PHE  36           HD1      PHE  36   0.404 -10.124   1.893
  314    HD2  PHE  36           HD2      PHE  36   0.840  -9.095  -2.265
  315    HE1  PHE  36           HE1      PHE  36  -1.382  -8.423   2.124
  316    HE2  PHE  36           HE2      PHE  36  -0.940  -7.398  -2.028
  317    HZ   PHE  36           HZ       PHE  36  -2.035  -7.029   0.191
  318    H    GLY  37           H        GLY  37   4.230 -10.241   2.799
  319   1HA   GLY  37          1HA       GLY  37   5.675 -11.943   3.731
  320   2HA   GLY  37          2HA       GLY  37   5.987 -12.575   2.122
  321    H    ARG  38           H        ARG  38   6.128  -9.161   2.452
  322    HA   ARG  38           HA       ARG  38   9.109  -9.165   2.179
  323   1HB   ARG  38          2HB       ARG  38   7.802  -8.991   0.073
  324   2HB   ARG  38          3HB       ARG  38   7.132  -7.461   0.647
  325   1HG   ARG  38          2HG       ARG  38   8.861  -6.882  -0.792
  326   2HG   ARG  38          3HG       ARG  38   9.608  -6.674   0.784
  327   1HD   ARG  38          2HD       ARG  38  10.476  -9.088   0.511
  328   2HD   ARG  38          3HD       ARG  38   9.908  -9.021  -1.159
  329    HE   ARG  38           HE       ARG  38  12.295  -7.750  -0.047
  330   1HH1  ARG  38          1HH2      ARG  38   9.929  -7.181  -2.625
  331   2HH1  ARG  38          2HH2      ARG  38  11.009  -6.003  -3.330
  332   1HH2  ARG  38          1HH1      ARG  38  13.531  -6.478  -1.134
  333   2HH2  ARG  38          2HH1      ARG  38  13.014  -5.785  -2.661
  334    H    HIS  39           H        HIS  39  10.136  -7.421   2.792
  335    HA   HIS  39           HA       HIS  39   9.017  -5.946   5.117
  336   1HB   HIS  39          2HB       HIS  39  11.838  -6.117   4.015
  337   2HB   HIS  39          3HB       HIS  39  11.380  -5.160   5.426
  338    HD1  HIS  39           HD1      HIS  39  12.602  -8.565   4.666
  339    HD2  HIS  39           HD2      HIS  39   9.950  -6.750   7.402
  340    HE1  HIS  39           HE1      HIS  39  12.162 -10.278   6.507
  341    H    SER  40           H        SER  40   8.690  -3.748   5.235
  342    HA   SER  40           HA       SER  40   8.266  -2.308   2.891
  343   1HB   SER  40          2HB       SER  40   7.627  -0.461   4.233
  344   2HB   SER  40          3HB       SER  40   7.112  -1.930   5.052
  345    HG   SER  40           HG       SER  40   8.517   0.068   5.974
  346    H    GLY  41           H        GLY  41   9.071  -0.516   1.948
  347   1HA   GLY  41          1HA       GLY  41  10.745   1.057   1.343
  348   2HA   GLY  41          2HA       GLY  41  11.834   0.393   2.541
  349    H    GLN  42           H        GLN  42  10.249  -1.602   0.023
  350    HA   GLN  42           HA       GLN  42  12.969  -2.083  -1.130
  351   1HB   GLN  42          2HB       GLN  42  11.240  -4.283   0.002
  352   2HB   GLN  42          3HB       GLN  42  12.796  -4.382  -0.851
  353   1HG   GLN  42          2HG       GLN  42  13.885  -3.057   0.902
  354   2HG   GLN  42          3HG       GLN  42  12.413  -3.200   1.859
  355   1HE2  GLN  42          2HE2      GLN  42  14.118  -4.288   3.356
  356   2HE2  GLN  42          1HE2      GLN  42  14.427  -5.997   3.061
  357    H    ALA  43           H        ALA  43  10.698  -0.863  -2.547
  358    HA   ALA  43           HA       ALA  43   9.996  -2.670  -4.712
  359   1HB   ALA  43          1HB       ALA  43  10.229   0.373  -4.649
  360   2HB   ALA  43          2HB       ALA  43   9.396  -0.593  -5.886
  361   3HB   ALA  43          3HB       ALA  43   8.782  -0.574  -4.233
  362    H    GLU  44           H        GLU  44  10.796  -1.756  -7.019
  363    HA   GLU  44           HA       GLU  44  13.597  -2.445  -7.320
  364   1HB   GLU  44          2HB       GLU  44  11.487  -1.497  -9.282
  365   2HB   GLU  44          3HB       GLU  44  13.174  -1.786  -9.738
  366   1HG   GLU  44          2HG       GLU  44  13.017  -4.117  -8.895
  367   2HG   GLU  44          3HG       GLU  44  11.304  -3.865  -8.548
  368    H    GLY  45           H        GLY  45  14.524  -0.968  -5.906
  369   1HA   GLY  45          1HA       GLY  45  16.396   0.408  -5.994
  370   2HA   GLY  45          2HA       GLY  45  15.911   0.961  -7.590
  371    H    TYR  46           H        TYR  46  13.227   1.620  -5.858
  372    HA   TYR  46           HA       TYR  46  13.956   4.467  -5.648
  373   1HB   TYR  46          2HB       TYR  46  11.792   3.381  -6.493
  374   2HB   TYR  46          3HB       TYR  46  11.320   3.273  -4.812
  375    HD1  TYR  46           HD1      TYR  46  11.976   5.428  -7.699
  376    HD2  TYR  46           HD2      TYR  46  11.043   5.464  -3.489
  377    HE1  TYR  46           HE1      TYR  46  11.136   7.763  -7.909
  378    HE2  TYR  46           HE2      TYR  46  10.175   7.798  -3.714
  379    HH   TYR  46           HH       TYR  46   9.625   9.196  -6.856
  380    H    SER  47           H        SER  47  13.736   5.840  -3.781
  381    HA   SER  47           HA       SER  47  14.322   4.402  -1.236
  382   1HB   SER  47          2HB       SER  47  15.832   6.092  -0.579
  383   2HB   SER  47          3HB       SER  47  16.283   5.515  -2.188
  384    HG   SER  47           HG       SER  47  16.364   7.684  -2.333
  385    H    TYR  48           H        TYR  48  13.676   5.375   0.733
  386    HA   TYR  48           HA       TYR  48  10.926   6.422   0.350
  387   1HB   TYR  48          2HB       TYR  48  12.153   4.334   2.198
  388   2HB   TYR  48          3HB       TYR  48  10.511   4.937   2.388
  389    HD1  TYR  48           HD1      TYR  48   8.782   3.734   1.503
  390    HD2  TYR  48           HD2      TYR  48  12.686   3.332  -0.313
  391    HE1  TYR  48           HE1      TYR  48   7.908   2.054  -0.059
  392    HE2  TYR  48           HE2      TYR  48  11.744   1.702  -1.919
  393    HH   TYR  48           HH       TYR  48   8.741   0.180  -1.313
  394    H    THR  49           H        THR  49  11.736   5.907   3.606
  395    HA   THR  49           HA       THR  49  12.710   8.595   4.286
  396    HB   THR  49           HB       THR  49  10.996   8.718   6.124
  397    HG1  THR  49           1HG      THR  49   9.182   7.194   4.731
  398   1HG2  THR  49          1HG2      THR  49   9.827   8.821   3.317
  399   2HG2  THR  49          2HG2      THR  49   9.208   9.635   4.765
  400   3HG2  THR  49          3HG2      THR  49  10.782  10.095   4.109
  401    H    ASP  50           H        ASP  50  13.724   8.622   6.395
  402    HA   ASP  50           HA       ASP  50  14.969   6.248   7.257
  403   1HB   ASP  50          2HB       ASP  50  15.599   8.669   7.684
  404   2HB   ASP  50          3HB       ASP  50  14.340   8.720   8.923
  405    H    ALA  51           H        ALA  51  11.952   7.741   8.358
  406    HA   ALA  51           HA       ALA  51  11.334   6.022  10.517
  407   1HB   ALA  51          1HB       ALA  51   9.471   7.555   8.659
  408   2HB   ALA  51          2HB       ALA  51   9.088   6.964  10.296
  409   3HB   ALA  51          3HB       ALA  51  10.304   8.231  10.084
  410    H    ASN  52           H        ASN  52  10.399   5.644   7.001
  411    HA   ASN  52           HA       ASN  52   8.975   3.169   7.576
  412   1HB   ASN  52          2HB       ASN  52   8.410   4.509   5.593
  413   2HB   ASN  52          3HB       ASN  52  10.038   4.262   4.942
  414   1HD2  ASN  52          2HD2      ASN  52   9.858   2.735   3.217
  415   2HD2  ASN  52          1HD2      ASN  52   8.806   1.338   3.368
  416    H    ILE  53           H        ILE  53  12.288   3.890   6.455
  417    HA   ILE  53           HA       ILE  53  13.092   1.170   6.047
  418    HB   ILE  53           HB       ILE  53  14.621   3.643   6.835
  419   1HG1  ILE  53          2HG1      ILE  53  14.523   2.205   4.124
  420   2HG1  ILE  53          3HG1      ILE  53  13.421   3.506   4.533
  421   1HG2  ILE  53          1HG2      ILE  53  15.748   0.947   5.923
  422   2HG2  ILE  53          2HG2      ILE  53  16.706   2.439   6.067
  423   3HG2  ILE  53          3HG2      ILE  53  15.998   1.718   7.503
  424   1HD1  ILE  53          1HD1      ILE  53  16.436   3.758   4.267
  425   2HD1  ILE  53          2HD1      ILE  53  15.182   4.438   3.219
  426   3HD1  ILE  53          3HD1      ILE  53  15.366   5.044   4.876
  427    H    LYS  54           H        LYS  54  13.669   3.229   8.979
  428    HA   LYS  54           HA       LYS  54  14.446   0.984  10.602
  429   1HB   LYS  54          2HB       LYS  54  13.521   3.798  11.326
  430   2HB   LYS  54          3HB       LYS  54  14.239   2.642  12.464
  431   1HG   LYS  54          2HG       LYS  54  16.278   2.499  11.085
  432   2HG   LYS  54          3HG       LYS  54  15.617   3.654   9.928
  433   1HD   LYS  54          2HD       LYS  54  15.522   5.401  11.602
  434   2HD   LYS  54          3HD       LYS  54  16.143   4.302  12.859
  435   1HE   LYS  54          2HE       LYS  54  18.288   4.149  11.842
  436   2HE   LYS  54          3HE       LYS  54  17.645   4.646  10.260
  437   1HZ   LYS  54          1HZ       LYS  54  17.834   6.526  12.531
  438   2HZ   LYS  54          2HZ       LYS  54  18.862   6.466  11.213
  439   3HZ   LYS  54          3HZ       LYS  54  17.295   6.809  11.016
  440    H    LYS  55           H        LYS  55  11.554   1.351   9.334
  441    HA   LYS  55           HA       LYS  55  10.106   0.107  11.666
  442   1HB   LYS  55          2HB       LYS  55   8.796   1.867  10.560
  443   2HB   LYS  55          3HB       LYS  55   8.986   1.069   9.005
  444   1HG   LYS  55          2HG       LYS  55   6.827   0.500   9.680
  445   2HG   LYS  55          3HG       LYS  55   7.794  -0.932   9.912
  446   1HD   LYS  55          2HD       LYS  55   6.502  -0.906  11.838
  447   2HD   LYS  55          3HD       LYS  55   7.984  -0.142  12.429
  448   1HE   LYS  55          2HE       LYS  55   6.993   2.092  12.099
  449   2HE   LYS  55          3HE       LYS  55   5.609   1.379  11.271
  450   1HZ   LYS  55          1HZ       LYS  55   6.223   1.065  14.133
  451   2HZ   LYS  55          2HZ       LYS  55   4.977   1.913  13.433
  452   3HZ   LYS  55          3HZ       LYS  55   5.002   0.269  13.343
  453    H    ASN  56           H        ASN  56  10.977  -0.594   8.292
  454    HA   ASN  56           HA       ASN  56  10.435  -2.379   6.962
  455   1HB   ASN  56          2HB       ASN  56  12.170  -3.614   9.109
  456   2HB   ASN  56          3HB       ASN  56  11.707  -4.477   7.658
  457   1HD2  ASN  56          2HD2      ASN  56  12.037  -2.075   5.698
  458   2HD2  ASN  56          1HD2      ASN  56  13.760  -1.825   5.889
  459    H    VAL  57           H        VAL  57   8.112  -2.057   7.599
  460    HA   VAL  57           HA       VAL  57   6.764  -4.116   9.191
  461    HB   VAL  57           HB       VAL  57   5.908  -2.034   7.208
  462   1HG1  VAL  57          1HG1      VAL  57   4.209  -4.492   7.788
  463   2HG1  VAL  57          2HG1      VAL  57   3.567  -2.956   7.193
  464   3HG1  VAL  57          3HG1      VAL  57   4.711  -3.873   6.204
  465   1HG2  VAL  57          1HG2      VAL  57   5.841  -1.846   9.773
  466   2HG2  VAL  57          2HG2      VAL  57   4.346  -1.441   8.899
  467   3HG2  VAL  57          3HG2      VAL  57   4.512  -3.000   9.732
  468    H    LEU  58           H        LEU  58   6.660  -6.209   8.733
  469    HA   LEU  58           HA       LEU  58   7.135  -7.258   6.046
  470   1HB   LEU  58          2HB       LEU  58   7.642  -8.386   8.299
  471   2HB   LEU  58          3HB       LEU  58   5.924  -8.771   8.389
  472    HG   LEU  58           HG       LEU  58   7.599  -9.471   5.932
  473   1HD1  LEU  58          1HD1      LEU  58   7.275 -11.185   8.421
  474   2HD1  LEU  58          2HD1      LEU  58   8.054 -11.670   6.894
  475   3HD1  LEU  58          3HD1      LEU  58   8.778 -10.394   7.885
  476   1HD2  LEU  58          1HD2      LEU  58   5.155  -9.775   5.691
  477   2HD2  LEU  58          2HD2      LEU  58   5.952 -11.354   5.781
  478   3HD2  LEU  58          3HD2      LEU  58   5.108 -10.709   7.186
  479    H    TRP  59           H        TRP  59   5.717  -6.703   4.558
  480    HA   TRP  59           HA       TRP  59   3.070  -5.784   5.093
  481   1HB   TRP  59          2HB       TRP  59   4.529  -6.517   2.516
  482   2HB   TRP  59          3HB       TRP  59   2.915  -5.807   2.547
  483    HD1  TRP  59           HD1      TRP  59   6.233  -4.711   1.901
  484    HE1  TRP  59           HE1      TRP  59   6.486  -2.122   2.286
  485    HE3  TRP  59           HE3      TRP  59   2.013  -3.813   4.630
  486    HZ2  TRP  59           HZ2      TRP  59   5.333  -0.166   3.914
  487    HZ3  TRP  59           HZ3      TRP  59   1.598  -1.560   5.580
  488    HH2  TRP  59           HH2      TRP  59   3.271   0.266   5.277
  489    H    ASP  60           H        ASP  60   1.970  -7.423   6.120
  490    HA   ASP  60           HA       ASP  60   1.085  -9.786   4.549
  491   1HB   ASP  60          2HB       ASP  60   0.540  -8.936   7.413
  492   2HB   ASP  60          3HB       ASP  60   0.035 -10.462   6.685
  493    H    GLU  61           H        GLU  61  -1.286 -10.365   4.847
  494    HA   GLU  61           HA       GLU  61  -3.032  -8.401   3.664
  495   1HB   GLU  61          2HB       GLU  61  -3.593 -11.056   5.054
  496   2HB   GLU  61          3HB       GLU  61  -4.821 -10.111   4.194
  497   1HG   GLU  61          2HG       GLU  61  -3.522 -10.250   2.108
  498   2HG   GLU  61          3HG       GLU  61  -2.223 -11.094   2.918
  499    H    ASN  62           H        ASN  62  -2.632  -9.372   7.084
  500    HA   ASN  62           HA       ASN  62  -4.571  -7.399   8.041
  501   1HB   ASN  62          2HB       ASN  62  -3.777  -8.237  10.255
  502   2HB   ASN  62          3HB       ASN  62  -4.568  -9.421   9.218
  503   1HD2  ASN  62          2HD2      ASN  62  -3.456 -10.887  10.937
  504   2HD2  ASN  62          1HD2      ASN  62  -1.801 -11.326  10.477
  505    H    ASN  63           H        ASN  63  -0.994  -7.826   8.339
  506    HA   ASN  63           HA       ASN  63  -0.468  -5.418   9.676
  507   1HB   ASN  63          2HB       ASN  63   1.019  -7.438   9.214
  508   2HB   ASN  63          3HB       ASN  63   1.391  -6.705   7.645
  509   1HD2  ASN  63          2HD2      ASN  63   3.395  -7.264   9.408
  510   2HD2  ASN  63          1HD2      ASN  63   3.967  -5.708  10.061
  511    H    MET  64           H        MET  64  -0.596  -5.818   6.084
  512    HA   MET  64           HA       MET  64   0.009  -3.063   5.502
  513   1HB   MET  64          2HB       MET  64   0.014  -4.989   3.805
  514   2HB   MET  64          3HB       MET  64  -1.745  -4.897   3.853
  515   1HG   MET  64          2HG       MET  64  -1.564  -2.474   3.150
  516   2HG   MET  64          3HG       MET  64   0.178  -2.684   3.036
  517   1HE   MET  64          1HE       MET  64  -3.334  -3.601   1.621
  518   2HE   MET  64          2HE       MET  64  -2.962  -4.615   0.209
  519   3HE   MET  64          3HE       MET  64  -2.692  -5.245   1.847
  520    H    SER  65           H        SER  65  -3.084  -4.656   6.346
  521    HA   SER  65           HA       SER  65  -4.569  -2.179   5.808
  522   1HB   SER  65          2HB       SER  65  -6.544  -3.360   6.611
  523   2HB   SER  65          3HB       SER  65  -5.720  -4.127   5.251
  524    HG   SER  65           HG       SER  65  -5.150  -5.790   6.505
  525    H    GLU  66           H        GLU  66  -3.103  -3.640   8.634
  526    HA   GLU  66           HA       GLU  66  -4.138  -1.885  10.641
  527   1HB   GLU  66          2HB       GLU  66  -2.641  -4.017  10.846
  528   2HB   GLU  66          3HB       GLU  66  -1.284  -2.920  10.583
  529   1HG   GLU  66          2HG       GLU  66  -2.138  -1.553  12.544
  530   2HG   GLU  66          3HG       GLU  66  -3.384  -2.769  12.786
  531    H    TYR  67           H        TYR  67  -1.080  -1.628   8.768
  532    HA   TYR  67           HA       TYR  67  -0.459   1.096   9.188
  533   1HB   TYR  67          2HB       TYR  67   1.067  -0.406   8.102
  534   2HB   TYR  67          3HB       TYR  67  -0.068  -0.726   6.811
  535    HD1  TYR  67           HD1      TYR  67  -0.087   0.579   4.818
  536    HD2  TYR  67           HD2      TYR  67   2.122   1.901   8.253
  537    HE1  TYR  67           HE1      TYR  67   1.088   2.273   3.408
  538    HE2  TYR  67           HE2      TYR  67   3.261   3.655   6.842
  539    HH   TYR  67           HH       TYR  67   3.761   4.220   4.549
  540    H    LEU  68           H        LEU  68  -2.457  -0.168   6.437
  541    HA   LEU  68           HA       LEU  68  -3.162   2.447   5.491
  542   1HB   LEU  68          2HB       LEU  68  -4.426  -0.264   5.027
  543   2HB   LEU  68          3HB       LEU  68  -4.963   1.184   4.208
  544    HG   LEU  68           HG       LEU  68  -2.113   0.148   3.994
  545   1HD1  LEU  68          1HD1      LEU  68  -4.410  -0.118   2.019
  546   2HD1  LEU  68          2HD1      LEU  68  -2.743  -0.716   1.826
  547   3HD1  LEU  68          3HD1      LEU  68  -3.794  -1.434   3.047
  548   1HD2  LEU  68          1HD2      LEU  68  -2.277   2.531   3.492
  549   2HD2  LEU  68          2HD2      LEU  68  -2.032   1.607   2.014
  550   3HD2  LEU  68          3HD2      LEU  68  -3.654   2.232   2.400
  551    H    THR  69           H        THR  69  -4.276   1.100   8.360
  552    HA   THR  69           HA       THR  69  -6.907   2.420   8.377
  553    HB   THR  69           HB       THR  69  -5.249   1.535  10.694
  554    HG1  THR  69           1HG      THR  69  -5.832  -0.172   9.378
  555   1HG2  THR  69          1HG2      THR  69  -8.207   2.227  10.472
  556   2HG2  THR  69          2HG2      THR  69  -7.434   1.475  11.884
  557   3HG2  THR  69          3HG2      THR  69  -6.986   3.121  11.411
  558    H    ASN  70           H        ASN  70  -3.598   3.236   9.404
  559    HA   ASN  70           HA       ASN  70  -4.069   6.045   9.020
  560   1HB   ASN  70          2HB       ASN  70  -5.078   5.712  11.288
  561   2HB   ASN  70          3HB       ASN  70  -3.482   5.262  11.892
  562   1HD2  ASN  70          2HD2      ASN  70  -5.265   7.643  12.522
  563   2HD2  ASN  70          1HD2      ASN  70  -4.218   9.012  12.115
  564    HA   PRO  71           HA       PRO  71   0.078   4.129   8.243
  565   1HB   PRO  71          2HB       PRO  71   0.742   5.537   5.960
  566   2HB   PRO  71          3HB       PRO  71  -0.359   4.122   5.976
  567   1HG   PRO  71          2HG       PRO  71  -1.126   7.059   6.055
  568   2HG   PRO  71          3HG       PRO  71  -1.782   5.789   4.990
  569   1HD   PRO  71          2HD       PRO  71  -3.090   6.477   7.203
  570   2HD   PRO  71          3HD       PRO  71  -2.965   4.751   6.751
  571    H    LYS  72           H        LYS  72  -0.739   7.459   8.112
  572    HA   LYS  72           HA       LYS  72   1.697   8.846   8.587
  573   1HB   LYS  72          2HB       LYS  72  -0.684   9.525   7.734
  574   2HB   LYS  72          3HB       LYS  72  -1.091   9.745   9.435
  575   1HG   LYS  72          2HG       LYS  72   0.718  11.449   9.619
  576   2HG   LYS  72          3HG       LYS  72   1.142  11.184   7.921
  577   1HD   LYS  72          2HD       LYS  72  -1.548  12.222   8.955
  578   2HD   LYS  72          3HD       LYS  72  -0.268  13.202   8.222
  579   1HE   LYS  72          2HE       LYS  72  -0.479  11.894   6.111
  580   2HE   LYS  72          3HE       LYS  72  -1.789  10.953   6.820
  581   1HZ   LYS  72          1HZ       LYS  72  -1.881  13.861   6.290
  582   2HZ   LYS  72          2HZ       LYS  72  -2.616  12.702   5.419
  583   3HZ   LYS  72          3HZ       LYS  72  -3.120  12.978   6.954
  584    H    LYS  73           H        LYS  73  -0.568   7.405  10.856
  585    HA   LYS  73           HA       LYS  73   1.060   8.270  13.199
  586   1HB   LYS  73          2HB       LYS  73  -1.498   8.186  13.091
  587   2HB   LYS  73          3HB       LYS  73  -1.379   6.437  13.220
  588   1HG   LYS  73          2HG       LYS  73  -0.161   8.367  15.257
  589   2HG   LYS  73          3HG       LYS  73  -1.852   7.884  15.301
  590   1HD   LYS  73          2HD       LYS  73  -1.148   5.481  15.519
  591   2HD   LYS  73          3HD       LYS  73   0.530   6.043  15.688
  592   1HE   LYS  73          2HE       LYS  73  -0.196   7.528  17.573
  593   2HE   LYS  73          3HE       LYS  73  -1.809   6.809  17.469
  594   1HZ   LYS  73          1HZ       LYS  73   0.703   5.357  18.098
  595   2HZ   LYS  73          2HZ       LYS  73  -0.488   5.714  19.165
  596   3HZ   LYS  73          3HZ       LYS  73  -0.771   4.641  17.951
  597    H    TYR  74           H        TYR  74   0.484   5.319  11.285
  598    HA   TYR  74           HA       TYR  74   1.775   3.481  13.025
  599   1HB   TYR  74          2HB       TYR  74   0.268   3.148  10.899
  600   2HB   TYR  74          3HB       TYR  74   1.779   3.227  10.009
  601    HD1  TYR  74           HD1      TYR  74   3.546   1.396  10.433
  602    HD2  TYR  74           HD2      TYR  74  -0.378   1.312  12.246
  603    HE1  TYR  74           HE1      TYR  74   3.905  -0.977  11.199
  604    HE2  TYR  74           HE2      TYR  74   0.031  -1.007  12.991
  605    HH   TYR  74           HH       TYR  74   1.348  -2.840  12.734
  606    H    ILE  75           H        ILE  75   3.041   5.509  10.432
  607    HA   ILE  75           HA       ILE  75   5.858   5.024  11.311
  608    HB   ILE  75           HB       ILE  75   4.897   5.380   8.449
  609   1HG1  ILE  75          2HG1      ILE  75   5.763   2.899   9.953
  610   2HG1  ILE  75          3HG1      ILE  75   4.215   3.201   9.155
  611   1HG2  ILE  75          1HG2      ILE  75   7.650   4.696   9.594
  612   2HG2  ILE  75          2HG2      ILE  75   7.251   4.940   7.874
  613   3HG2  ILE  75          3HG2      ILE  75   7.193   6.295   8.971
  614   1HD1  ILE  75          1HD1      ILE  75   6.877   2.587   7.871
  615   2HD1  ILE  75          2HD1      ILE  75   5.354   1.702   7.749
  616   3HD1  ILE  75          3HD1      ILE  75   5.526   3.279   6.946
  617    HA   PRO  76           HA       PRO  76   4.652   9.510  11.582
  618   1HB   PRO  76          2HB       PRO  76   5.954  10.131  13.906
  619   2HB   PRO  76          3HB       PRO  76   4.337   9.366  13.862
  620   1HG   PRO  76          2HG       PRO  76   7.024   8.021  14.250
  621   2HG   PRO  76          3HG       PRO  76   5.515   7.774  15.181
  622   1HD   PRO  76          2HD       PRO  76   6.291   6.115  13.147
  623   2HD   PRO  76          3HD       PRO  76   4.568   6.464  13.472
  624    H    GLY  77           H        GLY  77   5.797  10.211   9.880
  625   1HA   GLY  77          1HA       GLY  77   7.866  11.554   9.272
  626   2HA   GLY  77          2HA       GLY  77   8.807  10.220   9.928
  627    H    THR  78           H        THR  78   6.178   8.787   8.419
  628    HA   THR  78           HA       THR  78   7.429   8.010   5.951
  629    HB   THR  78           HB       THR  78   5.581   6.748   6.950
  630    HG1  THR  78           1HG      THR  78   5.677   6.564   4.645
  631   1HG2  THR  78          1HG2      THR  78   3.659   8.945   6.059
  632   2HG2  THR  78          2HG2      THR  78   3.302   7.472   6.980
  633   3HG2  THR  78          3HG2      THR  78   4.187   8.809   7.735
  634    H    LYS  79           H        LYS  79   7.017   8.711   3.862
  635    HA   LYS  79           HA       LYS  79   5.968  11.496   3.480
  636   1HB   LYS  79          2HB       LYS  79   7.416   9.536   1.694
  637   2HB   LYS  79          3HB       LYS  79   6.445  10.827   0.983
  638   1HG   LYS  79          2HG       LYS  79   7.791  12.489   2.350
  639   2HG   LYS  79          3HG       LYS  79   8.872  11.145   2.767
  640   1HD   LYS  79          2HD       LYS  79   9.113  10.685   0.275
  641   2HD   LYS  79          3HD       LYS  79   8.171  12.161  -0.025
  642   1HE   LYS  79          2HE       LYS  79   9.905  13.460   1.259
  643   2HE   LYS  79          3HE       LYS  79  10.845  11.965   1.426
  644   1HZ   LYS  79          1HZ       LYS  79  10.102  13.214  -1.163
  645   2HZ   LYS  79          2HZ       LYS  79  11.600  13.272  -0.479
  646   3HZ   LYS  79          3HZ       LYS  79  10.978  11.835  -0.983
  647    H    MET  80           H        MET  80   4.480   8.412   3.697
  648    HA   MET  80           HA       MET  80   2.503   8.792   1.650
  649   1HB   MET  80          2HB       MET  80   3.098   6.591   2.471
  650   2HB   MET  80          3HB       MET  80   2.493   6.979   4.088
  651   1HG   MET  80          2HG       MET  80   0.313   6.918   3.464
  652   2HG   MET  80          3HG       MET  80   0.616   7.429   1.811
  653   1HE   MET  80          1HE       MET  80  -1.540   5.736   1.625
  654   2HE   MET  80          2HE       MET  80  -1.391   3.967   1.769
  655   3HE   MET  80          3HE       MET  80  -1.323   4.958   3.212
  656    H    ALA  81           H        ALA  81   2.188  11.014   2.084
  657    HA   ALA  81           HA       ALA  81   1.055  12.148   4.323
  658   1HB   ALA  81          1HB       ALA  81   0.914  13.072   1.414
  659   2HB   ALA  81          2HB       ALA  81   0.731  14.119   2.837
  660   3HB   ALA  81          3HB       ALA  81   2.286  13.328   2.518
  661    H    PHE  82           H        PHE  82  -0.544  10.040   2.750
  662    HA   PHE  82           HA       PHE  82  -3.183  10.963   2.118
  663   1HB   PHE  82          2HB       PHE  82  -2.305   8.936   1.182
  664   2HB   PHE  82          3HB       PHE  82  -2.024   8.235   2.764
  665    HD1  PHE  82           HD1      PHE  82  -3.350   6.313   2.950
  666    HD2  PHE  82           HD2      PHE  82  -5.087   9.867   1.206
  667    HE1  PHE  82           HE1      PHE  82  -5.545   5.197   2.854
  668    HE2  PHE  82           HE2      PHE  82  -7.290   8.754   1.164
  669    HZ   PHE  82           HZ       PHE  82  -7.534   6.424   2.038
  670    H    GLY  83           H        GLY  83  -3.093   8.494   4.642
  671   1HA   GLY  83          1HA       GLY  83  -3.490   9.537   7.051
  672   2HA   GLY  83          2HA       GLY  83  -4.927  10.213   6.290
  673    H    GLY  84           H        GLY  84  -5.217   7.547   4.702
  674   1HA   GLY  84          1HA       GLY  84  -5.436   5.234   5.240
  675   2HA   GLY  84          2HA       GLY  84  -5.690   5.628   6.930
  676    H    LEU  85           H        LEU  85  -7.173   3.852   5.503
  677    HA   LEU  85           HA       LEU  85  -9.772   5.090   4.767
  678   1HB   LEU  85          2HB       LEU  85  -8.492   2.389   4.271
  679   2HB   LEU  85          3HB       LEU  85 -10.185   2.694   3.897
  680    HG   LEU  85           HG       LEU  85  -7.835   4.211   2.691
  681   1HD1  LEU  85          1HD1      LEU  85  -9.643   2.047   1.533
  682   2HD1  LEU  85          2HD1      LEU  85  -8.432   2.972   0.628
  683   3HD1  LEU  85          3HD1      LEU  85  -7.923   1.883   1.931
  684   1HD2  LEU  85          1HD2      LEU  85  -9.854   5.613   2.702
  685   2HD2  LEU  85          2HD2      LEU  85  -9.556   4.995   1.090
  686   3HD2  LEU  85          3HD2      LEU  85 -10.834   4.254   2.075
  687    H    LYS  86           H        LYS  86 -10.793   5.501   6.671
  688    HA   LYS  86           HA       LYS  86 -11.244   3.868   8.895
  689   1HB   LYS  86          2HB       LYS  86 -13.307   5.659   7.537
  690   2HB   LYS  86          3HB       LYS  86 -13.492   4.915   9.130
  691   1HG   LYS  86          2HG       LYS  86 -11.336   6.090   9.828
  692   2HG   LYS  86          3HG       LYS  86 -11.438   7.008   8.311
  693   1HD   LYS  86          2HD       LYS  86 -13.713   7.832   9.003
  694   2HD   LYS  86          3HD       LYS  86 -13.579   6.878  10.485
  695   1HE   LYS  86          2HE       LYS  86 -13.020   9.045  11.166
  696   2HE   LYS  86          3HE       LYS  86 -11.485   8.178  11.063
  697   1HZ   LYS  86          1HZ       LYS  86 -12.559  10.085   9.044
  698   2HZ   LYS  86          2HZ       LYS  86 -11.289  10.344  10.047
  699   3HZ   LYS  86          3HZ       LYS  86 -11.165   9.231   8.853
  700    H    LYS  87           H        LYS  87 -13.324   3.725   6.025
  701    HA   LYS  87           HA       LYS  87 -15.029   1.534   6.696
  702   1HB   LYS  87          2HB       LYS  87 -13.974   2.706   4.112
  703   2HB   LYS  87          3HB       LYS  87 -14.914   1.233   4.063
  704   1HG   LYS  87          2HG       LYS  87 -16.035   3.741   5.375
  705   2HG   LYS  87          3HG       LYS  87 -16.072   3.479   3.628
  706   1HD   LYS  87          2HD       LYS  87 -17.163   1.201   4.135
  707   2HD   LYS  87          3HD       LYS  87 -17.483   1.826   5.752
  708   1HE   LYS  87          2HE       LYS  87 -18.331   3.159   3.124
  709   2HE   LYS  87          3HE       LYS  87 -19.339   2.009   3.991
  710   1HZ   LYS  87          1HZ       LYS  87 -18.498   4.658   5.034
  711   2HZ   LYS  87          2HZ       LYS  87 -19.999   4.227   4.558
  712   3HZ   LYS  87          3HZ       LYS  87 -19.362   3.543   5.895
  713    H    GLU  88           H        GLU  88 -14.143  -0.333   7.604
  714    HA   GLU  88           HA       GLU  88 -11.667  -1.397   6.716
  715   1HB   GLU  88          2HB       GLU  88 -12.019  -3.250   7.987
  716   2HB   GLU  88          3HB       GLU  88 -12.769  -1.889   8.844
  717   1HG   GLU  88          2HG       GLU  88 -14.988  -2.747   8.317
  718   2HG   GLU  88          3HG       GLU  88 -14.276  -4.068   7.359
  719    H    LYS  89           H        LYS  89 -14.892  -2.258   5.634
  720    HA   LYS  89           HA       LYS  89 -14.383  -4.187   3.680
  721   1HB   LYS  89          2HB       LYS  89 -16.166  -1.745   3.610
  722   2HB   LYS  89          3HB       LYS  89 -16.229  -3.020   2.410
  723   1HG   LYS  89          2HG       LYS  89 -16.693  -3.370   5.397
  724   2HG   LYS  89          3HG       LYS  89 -17.863  -3.198   4.125
  725   1HD   LYS  89          2HD       LYS  89 -15.902  -5.509   4.615
  726   2HD   LYS  89          3HD       LYS  89 -17.648  -5.590   4.772
  727   1HE   LYS  89          2HE       LYS  89 -17.954  -5.453   2.368
  728   2HE   LYS  89          3HE       LYS  89 -16.241  -5.115   2.099
  729   1HZ   LYS  89          1HZ       LYS  89 -17.173  -7.672   3.293
  730   2HZ   LYS  89          2HZ       LYS  89 -16.881  -7.478   1.694
  731   3HZ   LYS  89          3HZ       LYS  89 -15.667  -7.349   2.726
  732    H    ASP  90           H        ASP  90 -14.233  -0.685   2.993
  733    HA   ASP  90           HA       ASP  90 -13.048  -0.770   0.481
  734   1HB   ASP  90          2HB       ASP  90 -12.759   1.176   2.791
  735   2HB   ASP  90          3HB       ASP  90 -11.935   1.392   1.295
  736    H    ARG  91           H        ARG  91 -11.309  -1.092   3.627
  737    HA   ARG  91           HA       ARG  91  -8.736  -1.629   2.348
  738   1HB   ARG  91          2HB       ARG  91  -9.721  -2.204   5.170
  739   2HB   ARG  91          3HB       ARG  91  -8.084  -2.525   4.601
  740   1HG   ARG  91          2HG       ARG  91  -7.744  -0.168   4.076
  741   2HG   ARG  91          3HG       ARG  91  -9.401   0.225   4.552
  742   1HD   ARG  91          2HD       ARG  91  -7.469  -1.091   6.496
  743   2HD   ARG  91          3HD       ARG  91  -7.488   0.658   6.246
  744    HE   ARG  91           HE       ARG  91  -9.855   0.697   6.855
  745   1HH1  ARG  91          1HH2      ARG  91  -7.731  -1.441   8.412
  746   2HH1  ARG  91          2HH2      ARG  91  -8.719  -1.671   9.791
  747   1HH2  ARG  91          1HH1      ARG  91 -11.138   0.473   8.630
  748   2HH2  ARG  91          2HH1      ARG  91 -10.665  -0.622   9.898
  749    H    ASN  92           H        ASN  92 -11.359  -3.768   3.314
  750    HA   ASN  92           HA       ASN  92  -9.898  -6.267   2.915
  751   1HB   ASN  92          2HB       ASN  92 -12.871  -5.649   3.044
  752   2HB   ASN  92          3HB       ASN  92 -12.226  -7.245   2.726
  753   1HD2  ASN  92          2HD2      ASN  92 -12.382  -4.778   5.292
  754   2HD2  ASN  92          1HD2      ASN  92 -12.211  -6.021   6.545
  755    H    ASP  93           H        ASP  93 -12.014  -4.337   0.788
  756    HA   ASP  93           HA       ASP  93 -11.732  -5.978  -1.583
  757   1HB   ASP  93          2HB       ASP  93 -12.323  -3.035  -1.083
  758   2HB   ASP  93          3HB       ASP  93 -12.205  -3.717  -2.695
  759    H    LEU  94           H        LEU  94  -9.761  -3.300  -0.205
  760    HA   LEU  94           HA       LEU  94  -7.933  -3.185  -2.366
  761   1HB   LEU  94          2HB       LEU  94  -8.301  -1.879   0.173
  762   2HB   LEU  94          3HB       LEU  94  -6.673  -2.469   0.169
  763    HG   LEU  94           HG       LEU  94  -6.759  -0.189  -0.591
  764   1HD1  LEU  94          1HD1      LEU  94  -6.141  -2.006  -2.956
  765   2HD1  LEU  94          2HD1      LEU  94  -5.614  -0.329  -2.752
  766   3HD1  LEU  94          3HD1      LEU  94  -5.034  -1.582  -1.633
  767   1HD2  LEU  94          1HD2      LEU  94  -9.096  -0.261  -1.448
  768   2HD2  LEU  94          2HD2      LEU  94  -7.955   0.584  -2.518
  769   3HD2  LEU  94          3HD2      LEU  94  -8.509  -1.053  -2.924
  770    H    ILE  95           H        ILE  95  -7.668  -4.913   0.759
  771    HA   ILE  95           HA       ILE  95  -5.241  -6.326   0.337
  772    HB   ILE  95           HB       ILE  95  -7.800  -7.230   1.690
  773   1HG1  ILE  95          2HG1      ILE  95  -5.203  -6.412   3.057
  774   2HG1  ILE  95          3HG1      ILE  95  -6.432  -5.233   2.665
  775   1HG2  ILE  95          1HG2      ILE  95  -5.031  -8.508   1.780
  776   2HG2  ILE  95          2HG2      ILE  95  -6.383  -8.980   2.821
  777   3HG2  ILE  95          3HG2      ILE  95  -6.490  -9.249   1.100
  778   1HD1  ILE  95          1HD1      ILE  95  -6.770  -7.628   4.518
  779   2HD1  ILE  95          2HD1      ILE  95  -6.856  -5.918   4.927
  780   3HD1  ILE  95          3HD1      ILE  95  -8.124  -6.632   3.954
  781    H    THR  96           H        THR  96  -8.552  -7.377  -0.507
  782    HA   THR  96           HA       THR  96  -7.849  -9.689  -1.944
  783    HB   THR  96           HB       THR  96 -10.210  -7.880  -2.610
  784    HG1  THR  96           1HG      THR  96 -10.261  -8.334  -0.444
  785   1HG2  THR  96          1HG2      THR  96  -9.802 -10.890  -2.880
  786   2HG2  THR  96          2HG2      THR  96 -11.324 -10.029  -3.172
  787   3HG2  THR  96          3HG2      THR  96  -9.929  -9.727  -4.221
  788    H    TYR  97           H        TYR  97  -8.134  -6.366  -3.245
  789    HA   TYR  97           HA       TYR  97  -7.545  -7.111  -5.975
  790   1HB   TYR  97          2HB       TYR  97  -8.760  -5.106  -5.560
  791   2HB   TYR  97          3HB       TYR  97  -7.527  -4.484  -4.470
  792    HD1  TYR  97           HD1      TYR  97  -7.568  -5.847  -8.007
  793    HD2  TYR  97           HD2      TYR  97  -6.274  -2.715  -5.333
  794    HE1  TYR  97           HE1      TYR  97  -6.456  -4.689  -9.900
  795    HE2  TYR  97           HE2      TYR  97  -5.131  -1.586  -7.241
  796    HH   TYR  97           HH       TYR  97  -5.320  -2.833 -10.565
  797    H    LEU  98           H        LEU  98  -5.474  -5.528  -3.498
  798    HA   LEU  98           HA       LEU  98  -3.223  -5.414  -5.316
  799   1HB   LEU  98          2HB       LEU  98  -3.922  -4.345  -2.710
  800   2HB   LEU  98          3HB       LEU  98  -2.410  -5.156  -2.539
  801    HG   LEU  98           HG       LEU  98  -2.031  -2.822  -2.989
  802   1HD1  LEU  98          1HD1      LEU  98  -1.294  -4.415  -5.473
  803   2HD1  LEU  98          2HD1      LEU  98  -0.596  -2.884  -4.983
  804   3HD1  LEU  98          3HD1      LEU  98  -0.359  -4.330  -3.977
  805   1HD2  LEU  98          1HD2      LEU  98  -4.096  -2.285  -4.191
  806   2HD2  LEU  98          2HD2      LEU  98  -2.668  -1.710  -5.062
  807   3HD2  LEU  98          3HD2      LEU  98  -3.510  -3.165  -5.621
  808    H    LYS  99           H        LYS  99  -4.262  -7.669  -2.878
  809    HA   LYS  99           HA       LYS  99  -1.996  -9.470  -2.996
  810   1HB   LYS  99          2HB       LYS  99  -3.823  -9.751  -1.383
  811   2HB   LYS  99          3HB       LYS  99  -4.938 -10.193  -2.698
  812   1HG   LYS  99          2HG       LYS  99  -3.638 -12.185  -3.201
  813   2HG   LYS  99          3HG       LYS  99  -2.334 -11.666  -2.107
  814   1HD   LYS  99          2HD       LYS  99  -3.908 -11.794  -0.194
  815   2HD   LYS  99          3HD       LYS  99  -5.176 -12.415  -1.276
  816   1HE   LYS  99          2HE       LYS  99  -3.753 -14.368  -1.824
  817   2HE   LYS  99          3HE       LYS  99  -2.440 -13.705  -0.870
  818   1HZ   LYS  99          1HZ       LYS  99  -5.060 -14.505   0.270
  819   2HZ   LYS  99          2HZ       LYS  99  -3.613 -15.325   0.416
  820   3HZ   LYS  99          3HZ       LYS  99  -3.830 -13.879   1.121
  821    H    LYS 100           H        LYS 100  -4.977  -9.355  -5.132
  822    HA   LYS 100           HA       LYS 100  -3.574 -11.184  -6.840
  823   1HB   LYS 100          2HB       LYS 100  -6.219 -10.713  -6.436
  824   2HB   LYS 100          3HB       LYS 100  -6.003  -9.976  -8.036
  825   1HG   LYS 100          2HG       LYS 100  -4.539 -11.956  -8.590
  826   2HG   LYS 100          3HG       LYS 100  -5.122 -12.755  -7.107
  827   1HD   LYS 100          2HD       LYS 100  -7.317 -12.983  -8.310
  828   2HD   LYS 100          3HD       LYS 100  -6.521 -12.289  -9.748
  829   1HE   LYS 100          2HE       LYS 100  -5.805 -14.841  -8.226
  830   2HE   LYS 100          3HE       LYS 100  -6.313 -14.729  -9.914
  831   1HZ   LYS 100          1HZ       LYS 100  -3.721 -13.722  -8.796
  832   2HZ   LYS 100          2HZ       LYS 100  -3.817 -15.077  -9.584
  833   3HZ   LYS 100          3HZ       LYS 100  -4.092 -13.638 -10.351
  834    H    ALA 101           H        ALA 101  -3.141  -8.140  -6.644
  835    HA   ALA 101           HA       ALA 101  -2.032  -7.734  -9.411
  836   1HB   ALA 101          1HB       ALA 101  -1.547  -6.069  -6.918
  837   2HB   ALA 101          2HB       ALA 101  -1.071  -5.646  -8.568
  838   3HB   ALA 101          3HB       ALA 101  -2.792  -5.731  -8.146
  839    H    THR 102           H        THR 102  -1.040  -9.189  -6.434
  840    HA   THR 102           HA       THR 102   1.838  -9.167  -7.099
  841    HB   THR 102           HB       THR 102   0.481 -10.149  -4.561
  842    HG1  THR 102           1HG      THR 102   0.184  -7.937  -4.855
  843   1HG2  THR 102          1HG2      THR 102   3.372  -9.479  -5.245
  844   2HG2  THR 102          2HG2      THR 102   2.769  -9.769  -3.600
  845   3HG2  THR 102          3HG2      THR 102   2.731 -11.070  -4.799
  846    H    GLU 103           H        GLU 103  -0.933 -11.385  -6.462
  847    HA   GLU 103           HA       GLU 103   0.500 -13.734  -7.638
  848   1HB   GLU 103          2HB       GLU 103  -0.746 -15.156  -6.002
  849   2HB   GLU 103          3HB       GLU 103   0.526 -14.172  -5.289
  850   1HG   GLU 103          2HG       GLU 103  -1.000 -12.731  -4.200
  851   2HG   GLU 103          3HG       GLU 103  -2.350 -13.193  -5.212
  852    HHA  HEC 104           HHA      HEC 104   5.243   2.988   0.772
  853    HHB  HEC 104           HHB      HEC 104  -0.489   0.258  -0.184
  854    HHC  HEC 104           HHC      HEC 104  -3.064   6.067  -1.391
  855    HHD  HEC 104           HHD      HEC 104   2.773   8.725  -0.996
  856   1HMA  HEC 104          1HMA      HEC 104   1.616  -1.233   1.704
  857   2HMA  HEC 104          2HMA      HEC 104   1.028  -1.344   0.032
  858   3HMA  HEC 104          3HMA      HEC 104   2.724  -1.649   0.376
  859   1HAA  HEC 104          1HAA      HEC 104   4.435  -0.633   1.460
  860   2HAA  HEC 104          2HAA      HEC 104   5.098   0.944   1.888
  861   1HBA  HEC 104          1HBA      HEC 104   5.936   1.127  -0.495
  862   2HBA  HEC 104          2HBA      HEC 104   5.357  -0.501  -0.777
  863   1HMB  HEC 104          1HMB      HEC 104  -3.077   0.150  -0.328
  864   2HMB  HEC 104          2HMB      HEC 104  -3.902   0.801  -1.752
  865   3HMB  HEC 104          3HMB      HEC 104  -2.250   0.182  -1.904
  866    HAB  HEC 104           HAB      HEC 104  -4.560   4.683  -1.314
  867   1HBB  HEC 104          1HBB      HEC 104  -4.907   3.593   0.819
  868   2HBB  HEC 104          2HBB      HEC 104  -6.316   3.450  -0.245
  869   3HBB  HEC 104          3HBB      HEC 104  -5.246   2.052  -0.006
  870   1HMC  HEC 104          1HMC      HEC 104  -3.260   8.433  -1.169
  871   2HMC  HEC 104          2HMC      HEC 104  -2.387   9.752  -1.955
  872   3HMC  HEC 104          3HMC      HEC 104  -2.790   8.289  -2.878
  873    HAC  HEC 104           HAC      HEC 104   1.551   9.877  -2.219
  874   1HBC  HEC 104          1HBC      HEC 104   0.655  10.886  -0.206
  875   2HBC  HEC 104          2HBC      HEC 104   0.570  11.989  -1.592
  876   3HBC  HEC 104          3HBC      HEC 104  -0.900  11.176  -1.015
  877   1HMD  HEC 104          1HMD      HEC 104   5.636   8.519   0.796
  878   2HMD  HEC 104          2HMD      HEC 104   6.364   8.110  -0.768
  879   3HMD  HEC 104          3HMD      HEC 104   4.855   9.032  -0.695
  880   1HAD  HEC 104          1HAD      HEC 104   7.156   5.369  -0.490
  881   2HAD  HEC 104          2HAD      HEC 104   6.776   4.417   0.926
  882   1HBD  HEC 104          1HBD      HEC 104   7.556   7.350   0.986
  883   2HBD  HEC 104          2HBD      HEC 104   8.593   6.007   1.288
  Start of MODEL   12
    1   1H    THR  -5          H1        THR  -5 -10.515 -12.000  13.960
    2   2H    THR  -5          H2        THR  -5 -10.452 -13.643  13.976
    3   3H    THR  -5          H3        THR  -5 -11.837 -12.863  13.494
    4    HA   THR  -5           HA       THR  -5  -9.261 -12.768  12.111
    5    HB   THR  -5           HB       THR  -5 -10.790 -13.832  10.237
    6    HG1  THR  -5           1HG      THR  -5 -12.269 -15.257  11.178
    7   1HG2  THR  -5          1HG2      THR  -5  -9.767 -15.474  12.601
    8   2HG2  THR  -5          2HG2      THR  -5 -10.065 -16.062  10.953
    9   3HG2  THR  -5          3HG2      THR  -5  -8.774 -14.887  11.248
   10    H    GLU  -4           H        GLU  -4  -8.917 -10.891  11.415
   11    HA   GLU  -4           HA       GLU  -4 -10.993  -8.930  11.520
   12   1HB   GLU  -4          2HB       GLU  -4  -7.973  -8.990  11.478
   13   2HB   GLU  -4          3HB       GLU  -4  -8.892  -7.491  11.555
   14   1HG   GLU  -4          2HG       GLU  -4  -8.125  -8.320  13.794
   15   2HG   GLU  -4          3HG       GLU  -4  -9.850  -7.986  13.644
   16    H    PHE  -3           H        PHE  -3 -10.718 -10.609   9.053
   17    HA   PHE  -3           HA       PHE  -3 -10.771  -8.455   6.974
   18   1HB   PHE  -3          2HB       PHE  -3  -8.729  -9.771   6.817
   19   2HB   PHE  -3          3HB       PHE  -3  -9.642 -11.271   6.855
   20    HD1  PHE  -3           HD1      PHE  -3 -10.288 -12.307   4.826
   21    HD2  PHE  -3           HD2      PHE  -3  -9.133  -8.149   4.834
   22    HE1  PHE  -3           HE1      PHE  -3 -10.248 -12.307   2.346
   23    HE2  PHE  -3           HE2      PHE  -3  -9.146  -8.149   2.348
   24    HZ   PHE  -3           HZ       PHE  -3  -9.686 -10.232   1.109
   25    H    LYS  -2           H        LYS  -2 -12.669  -8.352   5.839
   26    HA   LYS  -2           HA       LYS  -2 -14.531 -10.657   5.679
   27   1HB   LYS  -2          2HB       LYS  -2 -14.948  -7.667   6.097
   28   2HB   LYS  -2          3HB       LYS  -2 -16.126  -8.650   5.300
   29   1HG   LYS  -2          2HG       LYS  -2 -16.808  -8.400   7.556
   30   2HG   LYS  -2          3HG       LYS  -2 -16.332 -10.090   7.360
   31   1HD   LYS  -2          2HD       LYS  -2 -14.334  -9.780   8.632
   32   2HD   LYS  -2          3HD       LYS  -2 -14.355  -8.025   8.369
   33   1HE   LYS  -2          2HE       LYS  -2 -16.596  -8.081   9.698
   34   2HE   LYS  -2          3HE       LYS  -2 -16.053  -9.681  10.262
   35   1HZ   LYS  -2          1HZ       LYS  -2 -14.645  -7.090  10.480
   36   2HZ   LYS  -2          2HZ       LYS  -2 -15.332  -7.874  11.747
   37   3HZ   LYS  -2          3HZ       LYS  -2 -13.992  -8.522  11.016
   38    H    ALA  -1           H        ALA  -1 -13.936 -11.385   3.721
   39    HA   ALA  -1           HA       ALA  -1 -12.457 -10.063   1.819
   40   1HB   ALA  -1          1HB       ALA  -1 -14.374 -12.390   1.369
   41   2HB   ALA  -1          2HB       ALA  -1 -12.993 -11.964   0.340
   42   3HB   ALA  -1          3HB       ALA  -1 -12.716 -12.516   2.002
   43    H    GLY   1           H        GLY   1 -12.735  -9.143  -0.203
   44   1HA   GLY   1          1HA       GLY   1 -15.436  -8.031  -0.843
   45   2HA   GLY   1          2HA       GLY   1 -13.915  -7.157  -1.040
   46    H    SER   2           H        SER   2 -14.128  -6.886  -3.236
   47    HA   SER   2           HA       SER   2 -13.658  -9.363  -4.898
   48   1HB   SER   2          2HB       SER   2 -15.994  -8.748  -5.202
   49   2HB   SER   2          3HB       SER   2 -15.512  -7.099  -5.640
   50    HG   SER   2           HG       SER   2 -15.515  -9.373  -7.136
   51    H    ALA   3           H        ALA   3 -12.071  -9.272  -6.373
   52    HA   ALA   3           HA       ALA   3 -10.159  -7.234  -6.269
   53   1HB   ALA   3          1HB       ALA   3 -10.636  -9.259  -8.498
   54   2HB   ALA   3          2HB       ALA   3  -9.137  -8.344  -8.222
   55   3HB   ALA   3          3HB       ALA   3  -9.685  -9.518  -7.014
   56    H    LYS   4           H        LYS   4 -12.883  -7.449  -8.571
   57    HA   LYS   4           HA       LYS   4 -11.979  -5.117 -10.101
   58   1HB   LYS   4          2HB       LYS   4 -14.718  -6.457  -9.981
   59   2HB   LYS   4          3HB       LYS   4 -14.287  -5.150 -11.091
   60   1HG   LYS   4          2HG       LYS   4 -12.507  -6.587 -12.096
   61   2HG   LYS   4          3HG       LYS   4 -12.966  -7.895 -11.003
   62   1HD   LYS   4          2HD       LYS   4 -14.017  -8.399 -13.072
   63   2HD   LYS   4          3HD       LYS   4 -15.279  -7.859 -11.976
   64   1HE   LYS   4          2HE       LYS   4 -15.741  -6.888 -14.102
   65   2HE   LYS   4          3HE       LYS   4 -15.197  -5.580 -13.053
   66   1HZ   LYS   4          1HZ       LYS   4 -13.509  -6.986 -15.058
   67   2HZ   LYS   4          2HZ       LYS   4 -14.161  -5.496 -15.257
   68   3HZ   LYS   4          3HZ       LYS   4 -13.008  -5.734 -14.117
   69    H    LYS   5           H        LYS   5 -13.456  -5.401  -7.187
   70    HA   LYS   5           HA       LYS   5 -14.840  -2.741  -7.153
   71   1HB   LYS   5          2HB       LYS   5 -15.947  -4.789  -6.316
   72   2HB   LYS   5          3HB       LYS   5 -14.725  -4.956  -5.061
   73   1HG   LYS   5          2HG       LYS   5 -15.502  -3.062  -3.875
   74   2HG   LYS   5          3HG       LYS   5 -16.455  -2.468  -5.251
   75   1HD   LYS   5          2HD       LYS   5 -18.089  -4.134  -5.053
   76   2HD   LYS   5          3HD       LYS   5 -17.051  -5.230  -4.148
   77   1HE   LYS   5          2HE       LYS   5 -17.581  -2.664  -2.762
   78   2HE   LYS   5          3HE       LYS   5 -19.036  -3.631  -3.072
   79   1HZ   LYS   5          1HZ       LYS   5 -16.575  -4.633  -1.746
   80   2HZ   LYS   5          2HZ       LYS   5 -17.875  -4.188  -0.936
   81   3HZ   LYS   5          3HZ       LYS   5 -17.945  -5.507  -1.951
   82    H    GLY   6           H        GLY   6 -12.314  -4.482  -5.278
   83   1HA   GLY   6          1HA       GLY   6 -11.058  -2.210  -4.087
   84   2HA   GLY   6          2HA       GLY   6 -10.253  -3.703  -4.548
   85    H    ALA   7           H        ALA   7 -10.608  -3.570  -7.438
   86    HA   ALA   7           HA       ALA   7  -8.682  -1.712  -8.282
   87   1HB   ALA   7          1HB       ALA   7 -10.964  -2.817  -9.971
   88   2HB   ALA   7          2HB       ALA   7  -9.419  -2.167 -10.546
   89   3HB   ALA   7          3HB       ALA   7  -9.449  -3.672  -9.617
   90    H    THR   8           H        THR   8 -12.271  -1.283  -8.496
   91    HA   THR   8           HA       THR   8 -12.170   1.340  -9.605
   92    HB   THR   8           HB       THR   8 -14.159  -0.465  -9.015
   93    HG1  THR   8           1HG      THR   8 -15.469   1.222  -9.877
   94   1HG2  THR   8          1HG2      THR   8 -14.887   2.042  -7.453
   95   2HG2  THR   8          2HG2      THR   8 -15.918   0.641  -7.802
   96   3HG2  THR   8          3HG2      THR   8 -14.540   0.466  -6.715
   97    H    LEU   9           H        LEU   9 -11.743   0.344  -6.311
   98    HA   LEU   9           HA       LEU   9 -11.907   3.011  -5.130
   99   1HB   LEU   9          2HB       LEU   9 -10.966   0.300  -4.141
  100   2HB   LEU   9          3HB       LEU   9 -10.739   1.759  -3.179
  101    HG   LEU   9           HG       LEU   9 -13.450   1.036  -4.285
  102   1HD1  LEU   9          1HD1      LEU   9 -12.260   0.147  -1.612
  103   2HD1  LEU   9          2HD1      LEU   9 -13.949  -0.058  -2.104
  104   3HD1  LEU   9          3HD1      LEU   9 -12.676  -0.919  -2.979
  105   1HD2  LEU   9          1HD2      LEU   9 -13.220   3.314  -3.406
  106   2HD2  LEU   9          2HD2      LEU   9 -14.224   2.350  -2.309
  107   3HD2  LEU   9          3HD2      LEU   9 -12.533   2.670  -1.887
  108    H    PHE  10           H        PHE  10  -9.239   0.690  -5.613
  109    HA   PHE  10           HA       PHE  10  -7.011   2.268  -5.096
  110   1HB   PHE  10          2HB       PHE  10  -6.916  -0.134  -5.638
  111   2HB   PHE  10          3HB       PHE  10  -7.364   0.196  -7.298
  112    HD1  PHE  10           HD1      PHE  10  -5.692   0.685  -8.939
  113    HD2  PHE  10           HD2      PHE  10  -4.686   0.763  -4.743
  114    HE1  PHE  10           HE1      PHE  10  -3.266   0.894  -9.500
  115    HE2  PHE  10           HE2      PHE  10  -2.293   1.103  -5.336
  116    HZ   PHE  10           HZ       PHE  10  -1.591   1.181  -7.709
  117    H    LYS  11           H        LYS  11  -8.731   2.062  -8.154
  118    HA   LYS  11           HA       LYS  11  -7.349   3.724  -9.904
  119   1HB   LYS  11          2HB       LYS  11  -9.277   2.306 -10.411
  120   2HB   LYS  11          3HB       LYS  11 -10.331   3.371  -9.472
  121   1HG   LYS  11          2HG       LYS  11  -9.883   5.188 -11.171
  122   2HG   LYS  11          3HG       LYS  11  -8.960   3.997 -12.118
  123   1HD   LYS  11          2HD       LYS  11 -10.988   2.537 -12.202
  124   2HD   LYS  11          3HD       LYS  11 -11.878   3.730 -11.235
  125   1HE   LYS  11          2HE       LYS  11 -11.420   5.430 -13.051
  126   2HE   LYS  11          3HE       LYS  11 -10.732   4.126 -14.032
  127   1HZ   LYS  11          1HZ       LYS  11 -13.510   4.220 -12.993
  128   2HZ   LYS  11          2HZ       LYS  11 -13.082   4.492 -14.558
  129   3HZ   LYS  11          3HZ       LYS  11 -12.897   2.998 -13.900
  130    H    THR  12           H        THR  12  -9.467   4.892  -7.272
  131    HA   THR  12           HA       THR  12  -8.609   7.697  -7.881
  132    HB   THR  12           HB       THR  12 -10.862   8.434  -7.118
  133    HG1  THR  12           1HG      THR  12 -12.492   6.898  -7.082
  134   1HG2  THR  12          1HG2      THR  12 -10.998   6.568  -9.512
  135   2HG2  THR  12          2HG2      THR  12 -12.033   7.972  -9.178
  136   3HG2  THR  12          3HG2      THR  12 -10.315   8.210  -9.543
  137    H    ARG  13           H        ARG  13  -8.193   5.403  -5.630
  138    HA   ARG  13           HA       ARG  13  -7.983   7.412  -3.404
  139   1HB   ARG  13          2HB       ARG  13  -8.061   4.368  -3.306
  140   2HB   ARG  13          3HB       ARG  13  -8.001   5.411  -1.902
  141   1HG   ARG  13          2HG       ARG  13 -10.352   5.395  -3.862
  142   2HG   ARG  13          3HG       ARG  13 -10.205   4.348  -2.457
  143   1HD   ARG  13          2HD       ARG  13  -9.862   6.659  -1.188
  144   2HD   ARG  13          3HD       ARG  13 -10.706   7.306  -2.604
  145    HE   ARG  13           HE       ARG  13 -12.523   5.594  -2.105
  146   1HH1  ARG  13          1HH2      ARG  13 -10.617   6.656   0.624
  147   2HH1  ARG  13          2HH2      ARG  13 -11.495   5.557   1.685
  148   1HH2  ARG  13          1HH1      ARG  13 -13.490   4.219  -0.581
  149   2HH2  ARG  13          2HH1      ARG  13 -13.019   4.336   1.011
  150    H    CYS  14           H        CYS  14  -6.087   5.188  -5.285
  151    HA   CYS  14           HA       CYS  14  -3.631   5.779  -3.642
  152   1HB   CYS  14          2HB       CYS  14  -4.304   3.150  -4.920
  153   2HB   CYS  14          3HB       CYS  14  -2.966   3.474  -3.826
  154    H    LEU  15           H        LEU  15  -4.880   4.701  -6.855
  155    HA   LEU  15           HA       LEU  15  -2.486   4.645  -8.277
  156   1HB   LEU  15          2HB       LEU  15  -4.727   3.801  -8.994
  157   2HB   LEU  15          3HB       LEU  15  -5.252   5.472  -9.208
  158    HG   LEU  15           HG       LEU  15  -3.387   5.724 -10.946
  159   1HD1  LEU  15          1HD1      LEU  15  -3.399   2.675 -10.869
  160   2HD1  LEU  15          2HD1      LEU  15  -2.513   3.711 -12.002
  161   3HD1  LEU  15          3HD1      LEU  15  -2.053   3.687 -10.303
  162   1HD2  LEU  15          1HD2      LEU  15  -5.756   5.436 -11.526
  163   2HD2  LEU  15          2HD2      LEU  15  -4.687   4.645 -12.697
  164   3HD2  LEU  15          3HD2      LEU  15  -5.554   3.665 -11.493
  165    H    GLN  16           H        GLN  16  -4.363   7.464  -7.323
  166    HA   GLN  16           HA       GLN  16  -3.138   9.529  -8.789
  167   1HB   GLN  16          2HB       GLN  16  -3.738  10.988  -6.944
  168   2HB   GLN  16          3HB       GLN  16  -5.050   9.872  -7.298
  169   1HG   GLN  16          2HG       GLN  16  -4.494   8.516  -5.328
  170   2HG   GLN  16          3HG       GLN  16  -3.057   9.496  -5.011
  171   1HE2  GLN  16          2HE2      GLN  16  -3.317  11.598  -3.932
  172   2HE2  GLN  16          1HE2      GLN  16  -4.974  12.017  -3.424
  173    H    CYS  17           H        CYS  17  -1.609   7.489  -6.437
  174    HA   CYS  17           HA       CYS  17   0.860   9.152  -6.565
  175   1HB   CYS  17          2HB       CYS  17  -0.365   7.801  -4.153
  176   2HB   CYS  17          3HB       CYS  17   1.295   8.366  -4.212
  177    H    HIS  18           H        HIS  18  -0.478   5.908  -6.790
  178    HA   HIS  18           HA       HIS  18   2.290   4.731  -6.834
  179   1HB   HIS  18          1HB       HIS  18  -0.332   3.731  -5.653
  180   2HB   HIS  18          2HB       HIS  18   0.969   2.632  -6.059
  181    HD1  HIS  18           HD1      HIS  18   3.291   2.869  -4.707
  182    HD2  HIS  18           HD2      HIS  18  -0.009   5.116  -3.363
  183    HE1  HIS  18           HE1      HIS  18   3.843   3.640  -2.334
  184    H    THR  19           H        THR  19   2.457   2.665  -7.944
  185    HA   THR  19           HA       THR  19   0.445   2.094 -10.074
  186    HB   THR  19           HB       THR  19   2.278   1.280 -11.469
  187    HG1  THR  19           1HG      THR  19   4.221   2.861 -10.654
  188   1HG2  THR  19          1HG2      THR  19   2.449   4.264 -10.859
  189   2HG2  THR  19          2HG2      THR  19   2.953   3.454 -12.364
  190   3HG2  THR  19          3HG2      THR  19   1.243   3.480 -11.909
  191    H    VAL  20           H        VAL  20   0.312  -0.112 -10.578
  192    HA   VAL  20           HA       VAL  20   1.541  -2.106  -8.710
  193    HB   VAL  20           HB       VAL  20  -0.656  -1.248  -7.843
  194   1HG1  VAL  20          1HG1      VAL  20  -1.930  -3.008  -9.952
  195   2HG1  VAL  20          2HG1      VAL  20  -2.722  -2.068  -8.671
  196   3HG1  VAL  20          3HG1      VAL  20  -1.900  -1.230 -10.005
  197   1HG2  VAL  20          1HG2      VAL  20   0.357  -3.362  -7.033
  198   2HG2  VAL  20          2HG2      VAL  20  -1.415  -3.375  -6.992
  199   3HG2  VAL  20          3HG2      VAL  20  -0.552  -4.250  -8.267
  200    H    GLU  21           H        GLU  21   0.584  -1.338 -11.807
  201    HA   GLU  21           HA       GLU  21   0.590  -3.906 -13.063
  202   1HB   GLU  21          2HB       GLU  21   1.990  -1.659 -14.456
  203   2HB   GLU  21          3HB       GLU  21   0.860  -2.842 -15.065
  204   1HG   GLU  21          2HG       GLU  21  -0.254  -0.788 -15.269
  205   2HG   GLU  21          3HG       GLU  21  -1.003  -1.565 -13.877
  206    H    LYS  22           H        LYS  22   2.301  -5.051 -14.075
  207    HA   LYS  22           HA       LYS  22   4.725  -5.180 -12.501
  208   1HB   LYS  22          2HB       LYS  22   3.199  -7.047 -13.328
  209   2HB   LYS  22          3HB       LYS  22   3.869  -6.810 -14.941
  210   1HG   LYS  22          2HG       LYS  22   6.113  -7.440 -14.110
  211   2HG   LYS  22          3HG       LYS  22   5.500  -7.512 -12.454
  212   1HD   LYS  22          2HD       LYS  22   3.760  -9.252 -13.396
  213   2HD   LYS  22          3HD       LYS  22   4.796  -9.268 -14.812
  214   1HE   LYS  22          2HE       LYS  22   5.846 -10.979 -13.667
  215   2HE   LYS  22          3HE       LYS  22   6.685  -9.633 -12.883
  216   1HZ   LYS  22          1HZ       LYS  22   4.330 -11.117 -11.834
  217   2HZ   LYS  22          2HZ       LYS  22   5.822 -11.030 -11.150
  218   3HZ   LYS  22          3HZ       LYS  22   4.809  -9.729 -11.179
  219    H    GLY  23           H        GLY  23   5.270  -2.973 -13.216
  220   1HA   GLY  23          1HA       GLY  23   7.477  -2.342 -14.618
  221   2HA   GLY  23          2HA       GLY  23   6.383  -2.655 -15.964
  222    H    GLY  24           H        GLY  24   4.442  -1.409 -13.543
  223   1HA   GLY  24          1HA       GLY  24   4.035   1.173 -14.676
  224   2HA   GLY  24          2HA       GLY  24   3.547   0.633 -13.071
  225    HA   PRO  25           HA       PRO  25   7.815   2.921 -13.107
  226   1HB   PRO  25          2HB       PRO  25   7.449   5.618 -13.548
  227   2HB   PRO  25          3HB       PRO  25   7.725   4.421 -14.853
  228   1HG   PRO  25          2HG       PRO  25   5.065   5.495 -13.849
  229   2HG   PRO  25          3HG       PRO  25   5.647   5.394 -15.546
  230   1HD   PRO  25          2HD       PRO  25   4.026   3.485 -14.506
  231   2HD   PRO  25          3HD       PRO  25   5.380   3.031 -15.585
  232    H    HIS  26           H        HIS  26   8.741   4.223 -11.448
  233    HA   HIS  26           HA       HIS  26   7.380   4.441  -8.929
  234   1HB   HIS  26          2HB       HIS  26   9.973   5.639  -9.996
  235   2HB   HIS  26          3HB       HIS  26   9.437   5.814  -8.334
  236    HD1  HIS  26           HD1      HIS  26   8.421   2.437  -8.801
  237    HD2  HIS  26           HD2      HIS  26  12.112   4.444  -8.405
  238    HE1  HIS  26           HE1      HIS  26  10.099   0.779  -7.747
  239    H    LYS  27           H        LYS  27   5.790   5.767  -8.492
  240    HA   LYS  27           HA       LYS  27   5.744   8.494  -9.631
  241   1HB   LYS  27          2HB       LYS  27   3.692   6.416  -9.430
  242   2HB   LYS  27          3HB       LYS  27   3.107   7.890  -8.711
  243   1HG   LYS  27          2HG       LYS  27   4.401   7.877 -11.465
  244   2HG   LYS  27          3HG       LYS  27   2.702   7.507 -11.202
  245   1HD   LYS  27          2HD       LYS  27   2.821   9.807 -11.820
  246   2HD   LYS  27          3HD       LYS  27   2.324   9.697 -10.145
  247   1HE   LYS  27          2HE       LYS  27   3.830  11.552 -10.407
  248   2HE   LYS  27          3HE       LYS  27   4.600  10.336  -9.398
  249   1HZ   LYS  27          1HZ       LYS  27   5.138  10.690 -12.299
  250   2HZ   LYS  27          2HZ       LYS  27   6.098  11.263 -11.096
  251   3HZ   LYS  27          3HZ       LYS  27   5.931   9.646 -11.306
  252    H    VAL  28           H        VAL  28   3.618   9.106  -7.494
  253    HA   VAL  28           HA       VAL  28   5.383  10.605  -5.814
  254    HB   VAL  28           HB       VAL  28   2.509   9.902  -5.225
  255   1HG1  VAL  28          1HG1      VAL  28   4.178  12.351  -4.517
  256   2HG1  VAL  28          2HG1      VAL  28   2.454  12.119  -4.140
  257   3HG1  VAL  28          3HG1      VAL  28   3.658  11.078  -3.390
  258   1HG2  VAL  28          1HG2      VAL  28   2.528  10.779  -7.516
  259   2HG2  VAL  28          2HG2      VAL  28   1.879  11.983  -6.424
  260   3HG2  VAL  28          3HG2      VAL  28   3.552  12.146  -6.999
  261    H    GLY  29           H        GLY  29   4.016   7.370  -5.496
  262   1HA   GLY  29          1HA       GLY  29   6.059   6.885  -3.396
  263   2HA   GLY  29          2HA       GLY  29   4.506   6.045  -3.347
  264    HA   PRO  30           HA       PRO  30   7.659   3.651  -6.001
  265   1HB   PRO  30          2HB       PRO  30   6.708   1.505  -4.122
  266   2HB   PRO  30          3HB       PRO  30   8.321   1.740  -4.844
  267   1HG   PRO  30          2HG       PRO  30   7.807   2.450  -2.270
  268   2HG   PRO  30          3HG       PRO  30   8.842   3.479  -3.311
  269   1HD   PRO  30          2HD       PRO  30   5.961   3.833  -2.534
  270   2HD   PRO  30          3HD       PRO  30   7.256   5.055  -2.699
  271    H    ASN  31           H        ASN  31   7.220   1.361  -6.890
  272    HA   ASN  31           HA       ASN  31   4.445   1.017  -7.899
  273   1HB   ASN  31          2HB       ASN  31   6.310   0.730  -9.522
  274   2HB   ASN  31          3HB       ASN  31   7.026  -0.512  -8.474
  275   1HD2  ASN  31          2HD2      ASN  31   4.228   0.241 -10.557
  276   2HD2  ASN  31          1HD2      ASN  31   3.869  -1.485 -10.817
  277    H    LEU  32           H        LEU  32   3.324  -0.856  -7.267
  278    HA   LEU  32           HA       LEU  32   4.108  -2.038  -4.630
  279   1HB   LEU  32          2HB       LEU  32   1.385  -1.577  -5.887
  280   2HB   LEU  32          3HB       LEU  32   1.647  -2.347  -4.329
  281    HG   LEU  32           HG       LEU  32   2.386   0.539  -4.991
  282   1HD1  LEU  32          1HD1      LEU  32   0.084  -0.594  -3.359
  283   2HD1  LEU  32          2HD1      LEU  32   0.479   1.126  -3.546
  284   3HD1  LEU  32          3HD1      LEU  32  -0.043   0.179  -4.955
  285   1HD2  LEU  32          1HD2      LEU  32   3.823  -0.315  -3.208
  286   2HD2  LEU  32          2HD2      LEU  32   2.616   0.772  -2.513
  287   3HD2  LEU  32          3HD2      LEU  32   2.416  -0.986  -2.348
  288    H    HIS  33           H        HIS  33   4.222  -3.064  -7.776
  289    HA   HIS  33           HA       HIS  33   2.840  -5.603  -7.597
  290   1HB   HIS  33          2HB       HIS  33   3.294  -4.233  -9.703
  291   2HB   HIS  33          3HB       HIS  33   4.958  -4.793  -9.622
  292    HD1  HIS  33           HD1      HIS  33   1.418  -6.079 -10.240
  293    HD2  HIS  33           HD2      HIS  33   5.360  -7.480  -9.864
  294    HE1  HIS  33           HE1      HIS  33   1.373  -8.518 -10.995
  295    H    GLY  34           H        GLY  34   3.578  -6.814  -5.960
  296   1HA   GLY  34          1HA       GLY  34   5.038  -8.746  -5.429
  297   2HA   GLY  34          2HA       GLY  34   6.389  -7.901  -6.152
  298    H    ILE  35           H        ILE  35   4.474  -5.899  -4.063
  299    HA   ILE  35           HA       ILE  35   6.617  -5.756  -2.116
  300    HB   ILE  35           HB       ILE  35   5.155  -4.274  -0.813
  301   1HG1  ILE  35          2HG1      ILE  35   3.103  -3.457  -2.429
  302   2HG1  ILE  35          3HG1      ILE  35   3.029  -5.188  -2.727
  303   1HG2  ILE  35          1HG2      ILE  35   5.454  -3.606  -3.756
  304   2HG2  ILE  35          2HG2      ILE  35   5.256  -2.446  -2.421
  305   3HG2  ILE  35          3HG2      ILE  35   6.696  -3.459  -2.504
  306   1HD1  ILE  35          1HD1      ILE  35   2.931  -3.837  -0.004
  307   2HD1  ILE  35          2HD1      ILE  35   1.552  -4.520  -0.900
  308   3HD1  ILE  35          3HD1      ILE  35   2.817  -5.587  -0.275
  309    H    PHE  36           H        PHE  36   3.559  -7.665  -2.063
  310    HA   PHE  36           HA       PHE  36   3.605  -8.235   0.693
  311   1HB   PHE  36          2HB       PHE  36   2.499  -9.762  -1.682
  312   2HB   PHE  36          3HB       PHE  36   2.273 -10.256  -0.009
  313    HD1  PHE  36           HD1      PHE  36   0.950  -8.164  -2.636
  314    HD2  PHE  36           HD2      PHE  36   1.194  -8.597   1.649
  315    HE1  PHE  36           HE1      PHE  36  -1.000  -6.685  -2.376
  316    HE2  PHE  36           HE2      PHE  36  -0.759  -7.102   1.915
  317    HZ   PHE  36           HZ       PHE  36  -1.879  -6.148  -0.100
  318    H    GLY  37           H        GLY  37   4.543  -9.646   1.843
  319   1HA   GLY  37          1HA       GLY  37   6.108 -11.240   2.627
  320   2HA   GLY  37          2HA       GLY  37   6.363 -11.782   0.969
  321    H    ARG  38           H        ARG  38   6.889  -8.620   0.555
  322    HA   ARG  38           HA       ARG  38   9.758  -8.684   1.252
  323   1HB   ARG  38          2HB       ARG  38   8.444  -7.581  -0.943
  324   2HB   ARG  38          3HB       ARG  38   8.493  -6.187   0.110
  325   1HG   ARG  38          2HG       ARG  38  10.461  -6.031  -1.172
  326   2HG   ARG  38          3HG       ARG  38  11.004  -6.656   0.391
  327   1HD   ARG  38          2HD       ARG  38  10.408  -9.007  -0.886
  328   2HD   ARG  38          3HD       ARG  38  10.784  -7.977  -2.270
  329    HE   ARG  38           HE       ARG  38  12.861  -7.533  -0.442
  330   1HH1  ARG  38          1HH2      ARG  38  11.663 -10.461  -1.885
  331   2HH1  ARG  38          2HH2      ARG  38  13.165 -11.322  -1.667
  332   1HH2  ARG  38          1HH1      ARG  38  14.664  -8.536  -0.158
  333   2HH2  ARG  38          2HH1      ARG  38  14.884 -10.206  -0.633
  334    H    HIS  39           H        HIS  39  10.424  -6.322   2.073
  335    HA   HIS  39           HA       HIS  39   8.865  -5.903   4.586
  336   1HB   HIS  39          2HB       HIS  39  11.865  -5.929   4.300
  337   2HB   HIS  39          3HB       HIS  39  10.951  -5.438   5.720
  338    HD1  HIS  39           HD1      HIS  39  11.110  -8.728   3.602
  339    HD2  HIS  39           HD2      HIS  39  10.597  -7.221   7.487
  340    HE1  HIS  39           HE1      HIS  39  10.920 -10.758   5.141
  341    H    SER  40           H        SER  40   8.572  -3.831   5.199
  342    HA   SER  40           HA       SER  40   8.324  -1.923   3.274
  343   1HB   SER  40          2HB       SER  40   7.854  -0.293   5.014
  344   2HB   SER  40          3HB       SER  40   7.169  -1.873   5.436
  345    HG   SER  40           HG       SER  40   9.554  -0.668   6.388
  346    H    GLY  41           H        GLY  41   9.352  -0.436   2.327
  347   1HA   GLY  41          1HA       GLY  41  11.154   1.094   1.799
  348   2HA   GLY  41          2HA       GLY  41  12.038   0.548   3.204
  349    H    GLN  42           H        GLN  42  10.867  -1.757   0.740
  350    HA   GLN  42           HA       GLN  42  13.682  -2.110  -0.216
  351   1HB   GLN  42          2HB       GLN  42  11.578  -4.215   0.356
  352   2HB   GLN  42          3HB       GLN  42  13.036  -4.523  -0.576
  353   1HG   GLN  42          2HG       GLN  42  14.383  -3.621   1.380
  354   2HG   GLN  42          3HG       GLN  42  12.910  -3.732   2.339
  355   1HE2  GLN  42          2HE2      GLN  42  14.139  -5.309   3.706
  356   2HE2  GLN  42          1HE2      GLN  42  14.323  -6.955   3.124
  357    H    ALA  43           H        ALA  43  11.335  -0.502  -1.587
  358    HA   ALA  43           HA       ALA  43  11.534  -1.760  -4.254
  359   1HB   ALA  43          1HB       ALA  43  10.631   1.038  -3.467
  360   2HB   ALA  43          2HB       ALA  43  10.523   0.292  -5.066
  361   3HB   ALA  43          3HB       ALA  43   9.563  -0.362  -3.717
  362    H    GLU  44           H        GLU  44  13.662  -1.988  -4.813
  363    HA   GLU  44           HA       GLU  44  15.831  -0.370  -4.073
  364   1HB   GLU  44          2HB       GLU  44  15.458  -2.720  -5.510
  365   2HB   GLU  44          3HB       GLU  44  16.069  -1.640  -6.752
  366   1HG   GLU  44          2HG       GLU  44  17.394  -2.274  -4.073
  367   2HG   GLU  44          3HG       GLU  44  17.835  -2.969  -5.627
  368    H    GLY  45           H        GLY  45  17.112   1.142  -5.177
  369   1HA   GLY  45          1HA       GLY  45  17.539   3.065  -6.347
  370   2HA   GLY  45          2HA       GLY  45  16.274   2.624  -7.495
  371    H    TYR  46           H        TYR  46  14.311   2.595  -5.053
  372    HA   TYR  46           HA       TYR  46  13.537   5.403  -5.339
  373   1HB   TYR  46          2HB       TYR  46  12.046   3.355  -5.548
  374   2HB   TYR  46          3HB       TYR  46  12.065   3.216  -3.823
  375    HD1  TYR  46           HD1      TYR  46  10.086   4.166  -6.321
  376    HD2  TYR  46           HD2      TYR  46  11.600   5.854  -2.682
  377    HE1  TYR  46           HE1      TYR  46   8.335   5.963  -6.437
  378    HE2  TYR  46           HE2      TYR  46   9.866   7.621  -2.812
  379    HH   TYR  46           HH       TYR  46   7.650   7.951  -5.575
  380    H    SER  47           H        SER  47  14.679   6.830  -4.038
  381    HA   SER  47           HA       SER  47  15.542   6.233  -1.370
  382   1HB   SER  47          2HB       SER  47  16.071   8.592  -1.187
  383   2HB   SER  47          3HB       SER  47  16.629   7.925  -2.731
  384    HG   SER  47           HG       SER  47  14.191   9.297  -2.334
  385    H    TYR  48           H        TYR  48  13.710   5.329  -0.411
  386    HA   TYR  48           HA       TYR  48  11.362   6.582   0.534
  387   1HB   TYR  48          2HB       TYR  48  13.242   4.521   1.756
  388   2HB   TYR  48          3HB       TYR  48  11.760   4.984   2.555
  389    HD1  TYR  48           HD1      TYR  48   9.594   4.301   1.805
  390    HD2  TYR  48           HD2      TYR  48  13.163   3.122  -0.320
  391    HE1  TYR  48           HE1      TYR  48   8.336   2.476   0.674
  392    HE2  TYR  48           HE2      TYR  48  11.870   1.429  -1.548
  393    HH   TYR  48           HH       TYR  48   8.829   0.258  -0.388
  394    H    THR  49           H        THR  49  10.880   7.163   2.801
  395    HA   THR  49           HA       THR  49  12.872   8.798   4.234
  396    HB   THR  49           HB       THR  49  11.185   8.794   6.085
  397    HG1  THR  49           1HG      THR  49   9.504   7.562   4.144
  398   1HG2  THR  49          1HG2      THR  49  10.330   9.819   3.371
  399   2HG2  THR  49          2HG2      THR  49   9.626  10.327   4.934
  400   3HG2  THR  49          3HG2      THR  49  11.329  10.654   4.574
  401    H    ASP  50           H        ASP  50  14.013   8.260   5.897
  402    HA   ASP  50           HA       ASP  50  14.900   5.820   6.776
  403   1HB   ASP  50          2HB       ASP  50  15.860   7.977   7.372
  404   2HB   ASP  50          3HB       ASP  50  14.418   8.417   8.290
  405    H    ALA  51           H        ALA  51  12.096   7.568   8.210
  406    HA   ALA  51           HA       ALA  51  11.521   5.690  10.196
  407   1HB   ALA  51          1HB       ALA  51   9.600   7.567   8.754
  408   2HB   ALA  51          2HB       ALA  51   9.368   6.848  10.370
  409   3HB   ALA  51          3HB       ALA  51  10.675   8.006  10.101
  410    H    ASN  52           H        ASN  52  10.474   5.525   6.760
  411    HA   ASN  52           HA       ASN  52   8.682   3.259   7.255
  412   1HB   ASN  52          2HB       ASN  52   8.406   4.847   5.329
  413   2HB   ASN  52          3HB       ASN  52   9.911   4.231   4.641
  414   1HD2  ASN  52          2HD2      ASN  52   9.596   2.518   3.115
  415   2HD2  ASN  52          1HD2      ASN  52   8.202   1.439   3.294
  416    H    ILE  53           H        ILE  53  12.111   3.633   6.613
  417    HA   ILE  53           HA       ILE  53  12.565   0.816   5.968
  418    HB   ILE  53           HB       ILE  53  14.465   3.039   6.695
  419   1HG1  ILE  53          2HG1      ILE  53  14.013   1.893   3.893
  420   2HG1  ILE  53          3HG1      ILE  53  13.094   3.269   4.480
  421   1HG2  ILE  53          1HG2      ILE  53  15.043   0.291   5.487
  422   2HG2  ILE  53          2HG2      ILE  53  16.249   1.576   5.668
  423   3HG2  ILE  53          3HG2      ILE  53  15.537   0.851   7.099
  424   1HD1  ILE  53          1HD1      ILE  53  16.122   3.206   4.164
  425   2HD1  ILE  53          2HD1      ILE  53  14.963   4.060   3.148
  426   3HD1  ILE  53          3HD1      ILE  53  15.181   4.560   4.834
  427    H    LYS  54           H        LYS  54  13.263   2.923   8.831
  428    HA   LYS  54           HA       LYS  54  14.241   0.998  10.654
  429   1HB   LYS  54          2HB       LYS  54  12.256   3.193  11.236
  430   2HB   LYS  54          3HB       LYS  54  13.234   2.346  12.435
  431   1HG   LYS  54          2HG       LYS  54  14.384   3.965  10.149
  432   2HG   LYS  54          3HG       LYS  54  13.980   4.608  11.718
  433   1HD   LYS  54          2HD       LYS  54  15.739   3.283  12.791
  434   2HD   LYS  54          3HD       LYS  54  16.107   2.484  11.217
  435   1HE   LYS  54          2HE       LYS  54  16.343   4.711  10.171
  436   2HE   LYS  54          3HE       LYS  54  16.033   5.511  11.686
  437   1HZ   LYS  54          1HZ       LYS  54  18.394   3.842  11.090
  438   2HZ   LYS  54          2HZ       LYS  54  18.293   5.483  11.020
  439   3HZ   LYS  54          3HZ       LYS  54  18.148   4.728  12.484
  440    H    LYS  55           H        LYS  55  11.134   1.291   9.307
  441    HA   LYS  55           HA       LYS  55   9.606  -0.089  11.447
  442   1HB   LYS  55          2HB       LYS  55   8.544   1.628  10.019
  443   2HB   LYS  55          3HB       LYS  55   8.867   0.631   8.603
  444   1HG   LYS  55          2HG       LYS  55   7.366  -1.142   9.563
  445   2HG   LYS  55          3HG       LYS  55   6.995  -0.060  10.906
  446   1HD   LYS  55          2HD       LYS  55   5.231  -0.114   9.157
  447   2HD   LYS  55          3HD       LYS  55   5.913   1.515   9.349
  448   1HE   LYS  55          2HE       LYS  55   7.294   1.254   7.382
  449   2HE   LYS  55          3HE       LYS  55   6.947  -0.471   7.310
  450   1HZ   LYS  55          1HZ       LYS  55   4.671   1.298   7.024
  451   2HZ   LYS  55          2HZ       LYS  55   5.795   1.288   5.814
  452   3HZ   LYS  55          3HZ       LYS  55   5.042  -0.120   6.231
  453    H    ASN  56           H        ASN  56  11.169  -1.055   8.473
  454    HA   ASN  56           HA       ASN  56  10.713  -2.853   7.092
  455   1HB   ASN  56          2HB       ASN  56  12.746  -3.202   9.102
  456   2HB   ASN  56          3HB       ASN  56  12.118  -4.777   8.661
  457   1HD2  ASN  56          2HD2      ASN  56  13.211  -1.703   7.125
  458   2HD2  ASN  56          1HD2      ASN  56  13.811  -2.539   5.692
  459    H    VAL  57           H        VAL  57   8.335  -2.616   7.845
  460    HA   VAL  57           HA       VAL  57   7.083  -4.956   9.091
  461    HB   VAL  57           HB       VAL  57   6.153  -2.461   7.837
  462   1HG1  VAL  57          1HG1      VAL  57   4.375  -4.895   7.545
  463   2HG1  VAL  57          2HG1      VAL  57   3.808  -3.217   7.494
  464   3HG1  VAL  57          3HG1      VAL  57   4.927  -3.801   6.267
  465   1HG2  VAL  57          1HG2      VAL  57   6.141  -3.000  10.289
  466   2HG2  VAL  57          2HG2      VAL  57   4.540  -2.546   9.666
  467   3HG2  VAL  57          3HG2      VAL  57   4.920  -4.248   9.973
  468    H    LEU  58           H        LEU  58   7.257  -6.839   8.320
  469    HA   LEU  58           HA       LEU  58   7.599  -7.601   5.558
  470   1HB   LEU  58          2HB       LEU  58   8.154  -9.012   7.547
  471   2HB   LEU  58          3HB       LEU  58   6.440  -9.287   7.812
  472    HG   LEU  58           HG       LEU  58   7.882  -9.992   5.199
  473   1HD1  LEU  58          1HD1      LEU  58   7.210 -11.793   7.569
  474   2HD1  LEU  58          2HD1      LEU  58   7.971 -12.292   6.040
  475   3HD1  LEU  58          3HD1      LEU  58   8.836 -11.215   7.148
  476   1HD2  LEU  58          1HD2      LEU  58   5.488  -9.984   4.804
  477   2HD2  LEU  58          2HD2      LEU  58   5.946 -11.663   5.020
  478   3HD2  LEU  58          3HD2      LEU  58   5.161 -10.794   6.352
  479    H    TRP  59           H        TRP  59   6.150  -6.940   4.126
  480    HA   TRP  59           HA       TRP  59   3.467  -6.229   4.698
  481   1HB   TRP  59          2HB       TRP  59   4.884  -6.809   2.099
  482   2HB   TRP  59          3HB       TRP  59   3.229  -6.191   2.164
  483    HD1  TRP  59           HD1      TRP  59   6.524  -4.884   1.652
  484    HE1  TRP  59           HE1      TRP  59   6.726  -2.393   2.306
  485    HE3  TRP  59           HE3      TRP  59   2.201  -4.389   4.354
  486    HZ2  TRP  59           HZ2      TRP  59   5.428  -0.610   4.046
  487    HZ3  TRP  59           HZ3      TRP  59   1.691  -2.308   5.529
  488    HH2  TRP  59           HH2      TRP  59   3.235  -0.355   5.371
  489    H    ASP  60           H        ASP  60   2.000  -7.516   5.407
  490    HA   ASP  60           HA       ASP  60   1.298 -10.080   4.051
  491   1HB   ASP  60          2HB       ASP  60   2.065 -10.843   6.090
  492   2HB   ASP  60          3HB       ASP  60   1.663  -9.356   6.930
  493    H    GLU  61           H        GLU  61  -1.038 -10.601   4.639
  494    HA   GLU  61           HA       GLU  61  -2.726  -8.645   3.269
  495   1HB   GLU  61          2HB       GLU  61  -3.352 -11.278   4.663
  496   2HB   GLU  61          3HB       GLU  61  -4.565 -10.288   3.837
  497   1HG   GLU  61          2HG       GLU  61  -3.302 -10.448   1.723
  498   2HG   GLU  61          3HG       GLU  61  -2.055 -11.407   2.512
  499    H    ASN  62           H        ASN  62  -2.401  -9.568   6.747
  500    HA   ASN  62           HA       ASN  62  -4.528  -7.585   7.450
  501   1HB   ASN  62          2HB       ASN  62  -3.288  -9.984   8.813
  502   2HB   ASN  62          3HB       ASN  62  -3.930  -8.669   9.792
  503   1HD2  ASN  62          2HD2      ASN  62  -5.175  -9.906   6.659
  504   2HD2  ASN  62          1HD2      ASN  62  -6.751 -10.319   7.364
  505    H    ASN  63           H        ASN  63  -1.087  -8.239   7.927
  506    HA   ASN  63           HA       ASN  63  -0.471  -6.035   9.624
  507   1HB   ASN  63          2HB       ASN  63   0.858  -8.135   8.832
  508   2HB   ASN  63          3HB       ASN  63   1.358  -7.137   7.460
  509   1HD2  ASN  63          2HD2      ASN  63   3.584  -7.347   8.146
  510   2HD2  ASN  63          1HD2      ASN  63   4.065  -6.597   9.665
  511    H    MET  64           H        MET  64  -0.825  -6.150   6.090
  512    HA   MET  64           HA       MET  64  -0.260  -3.380   5.487
  513   1HB   MET  64          2HB       MET  64  -0.373  -5.137   3.783
  514   2HB   MET  64          3HB       MET  64  -2.039  -5.473   4.223
  515   1HG   MET  64          2HG       MET  64  -2.087  -4.243   2.195
  516   2HG   MET  64          3HG       MET  64  -2.698  -3.194   3.461
  517   1HE   MET  64          1HE       MET  64  -0.029  -3.853   0.748
  518   2HE   MET  64          2HE       MET  64   1.362  -2.895   1.290
  519   3HE   MET  64          3HE       MET  64   0.876  -4.313   2.209
  520    H    SER  65           H        SER  65  -3.285  -5.118   6.381
  521    HA   SER  65           HA       SER  65  -5.056  -2.946   5.995
  522   1HB   SER  65          2HB       SER  65  -5.583  -5.432   6.409
  523   2HB   SER  65          3HB       SER  65  -5.415  -5.083   8.134
  524    HG   SER  65           HG       SER  65  -7.562  -4.935   7.188
  525    H    GLU  66           H        GLU  66  -3.270  -3.882   8.971
  526    HA   GLU  66           HA       GLU  66  -4.282  -1.795  10.609
  527   1HB   GLU  66          2HB       GLU  66  -3.055  -3.890  11.334
  528   2HB   GLU  66          3HB       GLU  66  -1.558  -3.152  10.773
  529   1HG   GLU  66          2HG       GLU  66  -1.871  -2.907  13.214
  530   2HG   GLU  66          3HG       GLU  66  -1.756  -1.354  12.394
  531    H    TYR  67           H        TYR  67  -1.241  -1.886   8.706
  532    HA   TYR  67           HA       TYR  67  -0.442   0.845   9.117
  533   1HB   TYR  67          2HB       TYR  67   1.019  -0.822   8.058
  534   2HB   TYR  67          3HB       TYR  67  -0.086  -0.990   6.701
  535    HD1  TYR  67           HD1      TYR  67   0.382   0.259   4.721
  536    HD2  TYR  67           HD2      TYR  67   1.780   1.648   8.529
  537    HE1  TYR  67           HE1      TYR  67   1.453   2.198   3.596
  538    HE2  TYR  67           HE2      TYR  67   2.800   3.670   7.420
  539    HH   TYR  67           HH       TYR  67   2.653   4.151   3.896
  540    H    LEU  68           H        LEU  68  -2.724  -0.487   6.653
  541    HA   LEU  68           HA       LEU  68  -3.297   2.145   5.535
  542   1HB   LEU  68          2HB       LEU  68  -4.714  -0.531   5.336
  543   2HB   LEU  68          3HB       LEU  68  -5.223   0.920   4.464
  544    HG   LEU  68           HG       LEU  68  -2.582  -0.550   4.118
  545   1HD1  LEU  68          1HD1      LEU  68  -5.006  -0.223   2.309
  546   2HD1  LEU  68          2HD1      LEU  68  -3.511  -1.095   1.909
  547   3HD1  LEU  68          3HD1      LEU  68  -4.560  -1.694   3.205
  548   1HD2  LEU  68          1HD2      LEU  68  -2.173   1.824   3.667
  549   2HD2  LEU  68          2HD2      LEU  68  -2.250   0.935   2.150
  550   3HD2  LEU  68          3HD2      LEU  68  -3.645   1.913   2.662
  551    H    THR  69           H        THR  69  -4.478   0.589   8.417
  552    HA   THR  69           HA       THR  69  -6.896   2.167   8.674
  553    HB   THR  69           HB       THR  69  -5.249   1.040  10.898
  554    HG1  THR  69           1HG      THR  69  -5.876  -0.584   9.537
  555   1HG2  THR  69          1HG2      THR  69  -8.188   1.836  10.733
  556   2HG2  THR  69          2HG2      THR  69  -7.411   1.006  12.102
  557   3HG2  THR  69          3HG2      THR  69  -6.933   2.658  11.691
  558    H    ASN  70           H        ASN  70  -3.607   2.609  10.056
  559    HA   ASN  70           HA       ASN  70  -3.995   5.543   9.873
  560   1HB   ASN  70          2HB       ASN  70  -4.786   4.761  12.133
  561   2HB   ASN  70          3HB       ASN  70  -3.107   4.336  12.502
  562   1HD2  ASN  70          2HD2      ASN  70  -5.038   6.489  13.544
  563   2HD2  ASN  70          1HD2      ASN  70  -4.108   7.981  13.328
  564    HA   PRO  71           HA       PRO  71   0.111   3.970   8.456
  565   1HB   PRO  71          2HB       PRO  71   0.362   5.599   6.224
  566   2HB   PRO  71          3HB       PRO  71  -0.491   4.034   6.231
  567   1HG   PRO  71          2HG       PRO  71  -1.676   6.804   6.470
  568   2HG   PRO  71          3HG       PRO  71  -2.258   5.420   5.493
  569   1HD   PRO  71          2HD       PRO  71  -3.343   6.061   7.909
  570   2HD   PRO  71          3HD       PRO  71  -3.201   4.367   7.374
  571    H    LYS  72           H        LYS  72  -1.090   7.218   8.836
  572    HA   LYS  72           HA       LYS  72   1.487   8.577   8.943
  573   1HB   LYS  72          2HB       LYS  72  -0.706   9.512   8.112
  574   2HB   LYS  72          3HB       LYS  72  -1.269   9.573   9.787
  575   1HG   LYS  72          2HG       LYS  72   0.373  11.225  10.366
  576   2HG   LYS  72          3HG       LYS  72   1.278  10.988   8.865
  577   1HD   LYS  72          2HD       LYS  72  -1.610  11.948   8.838
  578   2HD   LYS  72          3HD       LYS  72  -0.260  13.071   9.075
  579   1HE   LYS  72          2HE       LYS  72   0.735  12.496   6.955
  580   2HE   LYS  72          3HE       LYS  72  -0.414  11.184   6.687
  581   1HZ   LYS  72          1HZ       LYS  72  -1.339  14.001   6.922
  582   2HZ   LYS  72          2HZ       LYS  72  -0.930  13.309   5.484
  583   3HZ   LYS  72          3HZ       LYS  72  -2.140  12.687   6.288
  584    H    LYS  73           H        LYS  73  -0.446   6.988  11.381
  585    HA   LYS  73           HA       LYS  73   1.486   7.928  13.451
  586   1HB   LYS  73          2HB       LYS  73  -1.077   7.713  13.833
  587   2HB   LYS  73          3HB       LYS  73  -0.775   5.979  13.929
  588   1HG   LYS  73          2HG       LYS  73   1.176   7.075  15.654
  589   2HG   LYS  73          3HG       LYS  73  -0.152   8.205  15.812
  590   1HD   LYS  73          2HD       LYS  73  -0.398   6.580  17.533
  591   2HD   LYS  73          3HD       LYS  73  -1.666   6.227  16.340
  592   1HE   LYS  73          2HE       LYS  73  -0.230   4.447  15.351
  593   2HE   LYS  73          3HE       LYS  73   1.071   4.855  16.475
  594   1HZ   LYS  73          1HZ       LYS  73  -1.592   3.775  17.227
  595   2HZ   LYS  73          2HZ       LYS  73  -0.187   2.937  17.239
  596   3HZ   LYS  73          3HZ       LYS  73  -0.405   4.172  18.299
  597    H    TYR  74           H        TYR  74   0.807   4.866  11.573
  598    HA   TYR  74           HA       TYR  74   2.649   3.281  13.065
  599   1HB   TYR  74          2HB       TYR  74   0.935   2.837  11.028
  600   2HB   TYR  74          3HB       TYR  74   2.409   2.997  10.095
  601    HD1  TYR  74           HD1      TYR  74   4.500   1.547  11.399
  602    HD2  TYR  74           HD2      TYR  74   0.261   0.656  11.455
  603    HE1  TYR  74           HE1      TYR  74   4.988  -0.756  12.112
  604    HE2  TYR  74           HE2      TYR  74   0.790  -1.694  12.091
  605    HH   TYR  74           HH       TYR  74   4.137  -2.746  12.733
  606    H    ILE  75           H        ILE  75   3.157   5.667  10.483
  607    HA   ILE  75           HA       ILE  75   6.107   5.580  11.012
  608    HB   ILE  75           HB       ILE  75   4.712   6.173   8.443
  609   1HG1  ILE  75          2HG1      ILE  75   6.489   3.775   8.869
  610   2HG1  ILE  75          3HG1      ILE  75   4.716   3.737   8.906
  611   1HG2  ILE  75          1HG2      ILE  75   7.704   5.865   9.057
  612   2HG2  ILE  75          2HG2      ILE  75   7.041   6.406   7.506
  613   3HG2  ILE  75          3HG2      ILE  75   6.924   7.447   8.911
  614   1HD1  ILE  75          1HD1      ILE  75   6.472   4.492   6.551
  615   2HD1  ILE  75          2HD1      ILE  75   5.250   3.224   6.656
  616   3HD1  ILE  75          3HD1      ILE  75   4.750   4.902   6.611
  617    HA   PRO  76           HA       PRO  76   4.395   9.715  12.202
  618   1HB   PRO  76          2HB       PRO  76   6.277  10.299  14.122
  619   2HB   PRO  76          3HB       PRO  76   4.804   9.328  14.426
  620   1HG   PRO  76          2HG       PRO  76   7.608   8.335  13.853
  621   2HG   PRO  76          3HG       PRO  76   6.473   7.784  15.126
  622   1HD   PRO  76          2HD       PRO  76   6.777   6.453  12.780
  623   2HD   PRO  76          3HD       PRO  76   5.177   6.570  13.569
  624    H    GLY  77           H        GLY  77   4.845  11.091  10.633
  625   1HA   GLY  77          1HA       GLY  77   6.243  12.799   9.596
  626   2HA   GLY  77          2HA       GLY  77   7.674  11.857   9.991
  627    H    THR  78           H        THR  78   5.247   9.796   8.715
  628    HA   THR  78           HA       THR  78   6.706   9.063   6.475
  629    HB   THR  78           HB       THR  78   4.954   7.782   7.429
  630    HG1  THR  78           1HG      THR  78   4.274   6.879   5.554
  631   1HG2  THR  78          1HG2      THR  78   2.890   9.391   5.929
  632   2HG2  THR  78          2HG2      THR  78   2.619   7.932   6.899
  633   3HG2  THR  78          3HG2      THR  78   3.131   9.441   7.685
  634    H    LYS  79           H        LYS  79   7.007   9.562   4.601
  635    HA   LYS  79           HA       LYS  79   6.138  11.898   3.171
  636   1HB   LYS  79          2HB       LYS  79   8.163   9.954   3.083
  637   2HB   LYS  79          3HB       LYS  79   7.296   9.619   1.648
  638   1HG   LYS  79          2HG       LYS  79   8.166  12.460   2.302
  639   2HG   LYS  79          3HG       LYS  79   9.318  11.281   1.718
  640   1HD   LYS  79          2HD       LYS  79   7.097  11.126  -0.097
  641   2HD   LYS  79          3HD       LYS  79   7.379  12.833   0.215
  642   1HE   LYS  79          2HE       LYS  79   8.763  12.247  -1.651
  643   2HE   LYS  79          3HE       LYS  79   9.832  12.466  -0.255
  644   1HZ   LYS  79          1HZ       LYS  79   8.974   9.900  -1.470
  645   2HZ   LYS  79          2HZ       LYS  79  10.520  10.441  -1.272
  646   3HZ   LYS  79          3HZ       LYS  79   9.630   9.919  -0.011
  647    H    MET  80           H        MET  80   4.627   8.828   3.616
  648    HA   MET  80           HA       MET  80   2.767   9.036   1.375
  649   1HB   MET  80          2HB       MET  80   3.317   6.869   2.382
  650   2HB   MET  80          3HB       MET  80   2.665   7.388   3.937
  651   1HG   MET  80          2HG       MET  80   0.498   7.305   3.247
  652   2HG   MET  80          3HG       MET  80   0.876   7.681   1.572
  653   1HE   MET  80          1HE       MET  80  -1.345   5.723   1.740
  654   2HE   MET  80          2HE       MET  80  -1.002   4.026   2.152
  655   3HE   MET  80          3HE       MET  80  -0.912   5.277   3.412
  656    H    ALA  81           H        ALA  81   2.508  11.323   1.734
  657    HA   ALA  81           HA       ALA  81   1.511  12.539   3.956
  658   1HB   ALA  81          1HB       ALA  81   1.108  13.374   1.047
  659   2HB   ALA  81          2HB       ALA  81   1.067  14.461   2.450
  660   3HB   ALA  81          3HB       ALA  81   2.576  13.641   2.017
  661    H    PHE  82           H        PHE  82  -0.251  10.440   2.551
  662    HA   PHE  82           HA       PHE  82  -2.991  11.229   2.298
  663   1HB   PHE  82          2HB       PHE  82  -1.990   9.293   1.235
  664   2HB   PHE  82          3HB       PHE  82  -1.559   8.597   2.786
  665    HD1  PHE  82           HD1      PHE  82  -4.760   9.877   1.179
  666    HD2  PHE  82           HD2      PHE  82  -2.751   6.680   3.279
  667    HE1  PHE  82           HE1      PHE  82  -6.868   8.573   1.246
  668    HE2  PHE  82           HE2      PHE  82  -4.839   5.368   3.285
  669    HZ   PHE  82           HZ       PHE  82  -6.917   6.328   2.341
  670    H    GLY  83           H        GLY  83  -3.368   8.692   4.407
  671   1HA   GLY  83          1HA       GLY  83  -3.260   9.773   7.005
  672   2HA   GLY  83          2HA       GLY  83  -4.768  10.370   6.323
  673    H    GLY  84           H        GLY  84  -5.236   7.695   4.836
  674   1HA   GLY  84          1HA       GLY  84  -5.133   5.346   5.689
  675   2HA   GLY  84          2HA       GLY  84  -5.748   5.942   7.219
  676    H    LEU  85           H        LEU  85  -6.865   3.903   5.927
  677    HA   LEU  85           HA       LEU  85  -9.490   4.766   4.811
  678   1HB   LEU  85          2HB       LEU  85  -7.880   2.217   4.575
  679   2HB   LEU  85          3HB       LEU  85  -9.544   2.387   4.010
  680    HG   LEU  85           HG       LEU  85  -7.103   3.858   2.934
  681   1HD1  LEU  85          1HD1      LEU  85  -8.952   1.721   1.771
  682   2HD1  LEU  85          2HD1      LEU  85  -7.700   2.586   0.867
  683   3HD1  LEU  85          3HD1      LEU  85  -7.238   1.523   2.211
  684   1HD2  LEU  85          1HD2      LEU  85  -9.075   5.330   2.758
  685   2HD2  LEU  85          2HD2      LEU  85  -8.640   4.691   1.169
  686   3HD2  LEU  85          3HD2      LEU  85 -10.016   3.982   2.050
  687    H    LYS  86           H        LYS  86 -10.240   5.260   6.793
  688    HA   LYS  86           HA       LYS  86 -10.718   3.581   9.031
  689   1HB   LYS  86          2HB       LYS  86 -12.174   5.375   9.786
  690   2HB   LYS  86          3HB       LYS  86 -10.651   5.972   9.140
  691   1HG   LYS  86          2HG       LYS  86 -11.838   6.545   6.977
  692   2HG   LYS  86          3HG       LYS  86 -13.363   6.064   7.740
  693   1HD   LYS  86          2HD       LYS  86 -13.026   7.795   9.491
  694   2HD   LYS  86          3HD       LYS  86 -11.475   8.243   8.745
  695   1HE   LYS  86          2HE       LYS  86 -12.703   8.785   6.619
  696   2HE   LYS  86          3HE       LYS  86 -14.230   8.447   7.448
  697   1HZ   LYS  86          1HZ       LYS  86 -12.280  10.566   8.173
  698   2HZ   LYS  86          2HZ       LYS  86 -13.758  10.810   7.499
  699   3HZ   LYS  86          3HZ       LYS  86 -13.636  10.233   9.035
  700    H    LYS  87           H        LYS  87 -11.756   2.143   6.583
  701    HA   LYS  87           HA       LYS  87 -14.189   1.207   7.966
  702   1HB   LYS  87          2HB       LYS  87 -14.179   2.192   5.085
  703   2HB   LYS  87          3HB       LYS  87 -15.253   0.901   5.615
  704   1HG   LYS  87          2HG       LYS  87 -16.070   2.503   7.454
  705   2HG   LYS  87          3HG       LYS  87 -15.207   3.780   6.577
  706   1HD   LYS  87          2HD       LYS  87 -16.577   3.278   4.545
  707   2HD   LYS  87          3HD       LYS  87 -17.428   2.009   5.455
  708   1HE   LYS  87          2HE       LYS  87 -18.095   3.776   7.148
  709   2HE   LYS  87          3HE       LYS  87 -17.393   4.996   6.080
  710   1HZ   LYS  87          1HZ       LYS  87 -19.665   3.198   5.409
  711   2HZ   LYS  87          2HZ       LYS  87 -19.768   4.800   5.710
  712   3HZ   LYS  87          3HZ       LYS  87 -19.002   4.275   4.359
  713    H    GLU  88           H        GLU  88 -14.142  -0.923   8.146
  714    HA   GLU  88           HA       GLU  88 -11.983  -2.478   7.234
  715   1HB   GLU  88          2HB       GLU  88 -12.948  -4.350   8.130
  716   2HB   GLU  88          3HB       GLU  88 -13.714  -3.067   9.078
  717   1HG   GLU  88          2HG       GLU  88 -15.710  -3.245   7.535
  718   2HG   GLU  88          3HG       GLU  88 -14.896  -4.608   6.729
  719    H    LYS  89           H        LYS  89 -15.247  -2.436   5.753
  720    HA   LYS  89           HA       LYS  89 -14.741  -4.375   3.802
  721   1HB   LYS  89          2HB       LYS  89 -16.758  -2.142   3.445
  722   2HB   LYS  89          3HB       LYS  89 -16.814  -3.810   2.876
  723   1HG   LYS  89          2HG       LYS  89 -16.754  -4.448   5.392
  724   2HG   LYS  89          3HG       LYS  89 -17.204  -2.763   5.692
  725   1HD   LYS  89          2HD       LYS  89 -19.199  -3.129   4.172
  726   2HD   LYS  89          3HD       LYS  89 -18.808  -4.850   4.162
  727   1HE   LYS  89          2HE       LYS  89 -19.458  -3.165   6.638
  728   2HE   LYS  89          3HE       LYS  89 -20.593  -4.225   5.800
  729   1HZ   LYS  89          1HZ       LYS  89 -18.168  -5.092   7.311
  730   2HZ   LYS  89          2HZ       LYS  89 -19.699  -5.356   7.705
  731   3HZ   LYS  89          3HZ       LYS  89 -19.064  -6.103   6.384
  732    H    ASP  90           H        ASP  90 -14.627  -0.992   3.559
  733    HA   ASP  90           HA       ASP  90 -13.742  -0.394   0.937
  734   1HB   ASP  90          2HB       ASP  90 -14.481   1.098   2.922
  735   2HB   ASP  90          3HB       ASP  90 -12.817   0.996   3.485
  736    H    ARG  91           H        ARG  91 -11.654  -0.975   3.842
  737    HA   ARG  91           HA       ARG  91  -9.211  -1.250   2.280
  738   1HB   ARG  91          2HB       ARG  91  -9.902  -2.327   5.058
  739   2HB   ARG  91          3HB       ARG  91  -8.308  -2.415   4.291
  740   1HG   ARG  91          2HG       ARG  91  -8.511   0.148   4.025
  741   2HG   ARG  91          3HG       ARG  91  -9.788   0.040   5.253
  742   1HD   ARG  91          2HD       ARG  91  -6.863  -0.764   5.449
  743   2HD   ARG  91          3HD       ARG  91  -7.666   0.506   6.371
  744    HE   ARG  91           HE       ARG  91  -7.617  -2.366   6.913
  745   1HH1  ARG  91          1HH2      ARG  91  -9.278   0.599   7.748
  746   2HH1  ARG  91          2HH2      ARG  91  -9.527   0.016   9.384
  747   1HH2  ARG  91          1HH1      ARG  91  -8.072  -3.033   8.834
  748   2HH2  ARG  91          2HH1      ARG  91  -8.828  -1.993  10.001
  749    H    ASN  92           H        ASN  92 -11.548  -3.705   3.410
  750    HA   ASN  92           HA       ASN  92  -9.819  -5.871   2.724
  751   1HB   ASN  92          2HB       ASN  92 -12.828  -5.847   3.129
  752   2HB   ASN  92          3HB       ASN  92 -11.788  -7.294   3.068
  753   1HD2  ASN  92          2HD2      ASN  92 -13.455  -6.466   5.242
  754   2HD2  ASN  92          1HD2      ASN  92 -12.320  -6.206   6.622
  755    H    ASP  93           H        ASP  93 -12.457  -4.364   0.877
  756    HA   ASP  93           HA       ASP  93 -12.213  -5.875  -1.569
  757   1HB   ASP  93          2HB       ASP  93 -13.001  -3.004  -0.937
  758   2HB   ASP  93          3HB       ASP  93 -12.859  -3.585  -2.590
  759    H    LEU  94           H        LEU  94 -10.470  -2.914  -0.474
  760    HA   LEU  94           HA       LEU  94  -8.808  -2.722  -2.766
  761   1HB   LEU  94          2HB       LEU  94  -9.232  -0.968  -0.946
  762   2HB   LEU  94          3HB       LEU  94  -8.064  -1.847   0.036
  763    HG   LEU  94           HG       LEU  94  -6.440  -1.559  -2.033
  764   1HD1  LEU  94          1HD1      LEU  94  -8.462   0.675  -2.532
  765   2HD1  LEU  94          2HD1      LEU  94  -6.887   0.498  -3.326
  766   3HD1  LEU  94          3HD1      LEU  94  -8.163  -0.704  -3.613
  767   1HD2  LEU  94          1HD2      LEU  94  -6.130  -0.458   0.131
  768   2HD2  LEU  94          2HD2      LEU  94  -5.770   0.652  -1.196
  769   3HD2  LEU  94          3HD2      LEU  94  -7.314   0.791  -0.337
  770    H    ILE  95           H        ILE  95  -8.113  -4.344   0.342
  771    HA   ILE  95           HA       ILE  95  -5.538  -5.408  -0.287
  772    HB   ILE  95           HB       ILE  95  -7.743  -6.292   1.602
  773   1HG1  ILE  95          2HG1      ILE  95  -5.006  -5.151   2.305
  774   2HG1  ILE  95          3HG1      ILE  95  -6.344  -4.087   1.901
  775   1HG2  ILE  95          1HG2      ILE  95  -4.937  -7.468   1.328
  776   2HG2  ILE  95          2HG2      ILE  95  -5.997  -7.748   2.717
  777   3HG2  ILE  95          3HG2      ILE  95  -6.479  -8.331   1.134
  778   1HD1  ILE  95          1HD1      ILE  95  -6.308  -6.066   4.208
  779   2HD1  ILE  95          2HD1      ILE  95  -6.230  -4.296   4.288
  780   3HD1  ILE  95          3HD1      ILE  95  -7.713  -5.089   3.732
  781    H    THR  96           H        THR  96  -8.758  -6.966  -0.564
  782    HA   THR  96           HA       THR  96  -8.063  -9.354  -1.848
  783    HB   THR  96           HB       THR  96 -10.472  -7.630  -2.580
  784    HG1  THR  96           1HG      THR  96 -10.465  -8.083  -0.404
  785   1HG2  THR  96          1HG2      THR  96 -10.017 -10.632  -2.821
  786   2HG2  THR  96          2HG2      THR  96 -11.549  -9.789  -3.115
  787   3HG2  THR  96          3HG2      THR  96 -10.167  -9.487  -4.178
  788    H    TYR  97           H        TYR  97  -8.588  -6.199  -3.421
  789    HA   TYR  97           HA       TYR  97  -7.872  -7.028  -6.103
  790   1HB   TYR  97          2HB       TYR  97  -9.122  -5.046  -5.892
  791   2HB   TYR  97          3HB       TYR  97  -8.043  -4.363  -4.687
  792    HD1  TYR  97           HD1      TYR  97  -6.287  -2.914  -5.316
  793    HD2  TYR  97           HD2      TYR  97  -8.058  -5.511  -8.268
  794    HE1  TYR  97           HE1      TYR  97  -4.951  -1.815  -7.106
  795    HE2  TYR  97           HE2      TYR  97  -6.823  -4.313 -10.063
  796    HH   TYR  97           HH       TYR  97  -4.518  -1.722  -9.355
  797    H    LEU  98           H        LEU  98  -5.940  -5.255  -3.644
  798    HA   LEU  98           HA       LEU  98  -3.654  -5.043  -5.252
  799   1HB   LEU  98          2HB       LEU  98  -4.373  -4.271  -2.605
  800   2HB   LEU  98          3HB       LEU  98  -3.056  -5.372  -2.347
  801    HG   LEU  98           HG       LEU  98  -1.870  -3.877  -4.256
  802   1HD1  LEU  98          1HD1      LEU  98  -3.880  -1.983  -2.932
  803   2HD1  LEU  98          2HD1      LEU  98  -2.586  -1.528  -4.063
  804   3HD1  LEU  98          3HD1      LEU  98  -3.945  -2.518  -4.624
  805   1HD2  LEU  98          1HD2      LEU  98  -0.987  -4.147  -2.013
  806   2HD2  LEU  98          2HD2      LEU  98  -1.005  -2.424  -2.400
  807   3HD2  LEU  98          3HD2      LEU  98  -2.254  -3.094  -1.330
  808    H    LYS  99           H        LYS  99  -4.508  -7.525  -3.027
  809    HA   LYS  99           HA       LYS  99  -2.268  -9.314  -3.252
  810   1HB   LYS  99          2HB       LYS  99  -4.097  -9.392  -1.528
  811   2HB   LYS  99          3HB       LYS  99  -5.231  -9.903  -2.791
  812   1HG   LYS  99          2HG       LYS  99  -3.812 -11.892  -3.217
  813   2HG   LYS  99          3HG       LYS  99  -2.713 -11.383  -1.924
  814   1HD   LYS  99          2HD       LYS  99  -4.652 -11.478  -0.326
  815   2HD   LYS  99          3HD       LYS  99  -5.662 -12.149  -1.610
  816   1HE   LYS  99          2HE       LYS  99  -3.027 -13.368  -0.668
  817   2HE   LYS  99          3HE       LYS  99  -4.573 -13.829   0.006
  818   1HZ   LYS  99          1HZ       LYS  99  -4.165 -13.994  -2.939
  819   2HZ   LYS  99          2HZ       LYS  99  -3.547 -15.124  -2.051
  820   3HZ   LYS  99          3HZ       LYS  99  -5.177 -14.884  -1.985
  821    H    LYS 100           H        LYS 100  -5.333  -9.079  -5.103
  822    HA   LYS 100           HA       LYS 100  -4.597 -11.276  -6.861
  823   1HB   LYS 100          2HB       LYS 100  -6.951 -10.412  -6.123
  824   2HB   LYS 100          3HB       LYS 100  -6.807  -9.296  -7.464
  825   1HG   LYS 100          2HG       LYS 100  -8.129 -11.249  -8.056
  826   2HG   LYS 100          3HG       LYS 100  -6.672 -11.237  -9.038
  827   1HD   LYS 100          2HD       LYS 100  -6.665 -12.786  -6.436
  828   2HD   LYS 100          3HD       LYS 100  -7.574 -13.455  -7.802
  829   1HE   LYS 100          2HE       LYS 100  -5.691 -13.862  -9.089
  830   2HE   LYS 100          3HE       LYS 100  -4.808 -12.509  -8.413
  831   1HZ   LYS 100          1HZ       LYS 100  -5.145 -15.120  -7.032
  832   2HZ   LYS 100          2HZ       LYS 100  -3.783 -14.392  -7.621
  833   3HZ   LYS 100          3HZ       LYS 100  -4.458 -13.766  -6.362
  834    H    ALA 101           H        ALA 101  -3.805  -8.134  -6.865
  835    HA   ALA 101           HA       ALA 101  -3.003  -7.903  -9.719
  836   1HB   ALA 101          1HB       ALA 101  -2.732  -5.904  -7.427
  837   2HB   ALA 101          2HB       ALA 101  -2.446  -5.582  -9.147
  838   3HB   ALA 101          3HB       ALA 101  -4.083  -5.969  -8.581
  839    H    THR 102           H        THR 102  -1.657  -9.276  -6.994
  840    HA   THR 102           HA       THR 102   1.185  -8.802  -7.841
  841    HB   THR 102           HB       THR 102   0.061  -9.136  -5.034
  842    HG1  THR 102           1HG      THR 102  -0.156  -7.088  -5.721
  843   1HG2  THR 102          1HG2      THR 102   2.900  -9.015  -6.074
  844   2HG2  THR 102          2HG2      THR 102   2.481  -8.588  -4.394
  845   3HG2  THR 102          3HG2      THR 102   2.188 -10.230  -4.998
  846    H    GLU 103           H        GLU 103  -1.225 -11.092  -6.586
  847    HA   GLU 103           HA       GLU 103   0.235 -13.388  -7.691
  848   1HB   GLU 103          2HB       GLU 103  -0.313 -14.795  -5.792
  849   2HB   GLU 103          3HB       GLU 103   0.686 -13.451  -5.275
  850   1HG   GLU 103          2HG       GLU 103  -0.795 -13.507  -3.563
  851   2HG   GLU 103          3HG       GLU 103  -1.581 -12.319  -4.553
  852    HHA  HEC 104           HHA      HEC 104   5.420   3.682   1.046
  853    HHB  HEC 104           HHB      HEC 104  -0.158   0.627  -0.079
  854    HHC  HEC 104           HHC      HEC 104  -2.964   6.334  -1.353
  855    HHD  HEC 104           HHD      HEC 104   2.808   9.121  -1.319
  856   1HMA  HEC 104          1HMA      HEC 104   1.968  -0.753   1.767
  857   2HMA  HEC 104          2HMA      HEC 104   1.488  -0.878   0.053
  858   3HMA  HEC 104          3HMA      HEC 104   3.183  -1.068   0.507
  859   1HAA  HEC 104          1HAA      HEC 104   4.501   0.130   2.119
  860   2HAA  HEC 104          2HAA      HEC 104   5.150   1.740   2.403
  861   1HBA  HEC 104          1HBA      HEC 104   6.366   1.606   0.235
  862   2HBA  HEC 104          2HBA      HEC 104   5.662   0.021  -0.060
  863   1HMB  HEC 104          1HMB      HEC 104  -3.505   0.868  -0.018
  864   2HMB  HEC 104          2HMB      HEC 104  -3.429   0.939  -1.791
  865   3HMB  HEC 104          3HMB      HEC 104  -2.118   0.207  -0.894
  866    HAB  HEC 104           HAB      HEC 104  -4.390   4.921  -1.410
  867   1HBB  HEC 104          1HBB      HEC 104  -4.612   4.158   0.892
  868   2HBB  HEC 104          2HBB      HEC 104  -6.094   4.000  -0.071
  869   3HBB  HEC 104          3HBB      HEC 104  -5.115   2.561   0.299
  870   1HMC  HEC 104          1HMC      HEC 104  -3.183   8.794  -1.051
  871   2HMC  HEC 104          2HMC      HEC 104  -2.413   9.983  -2.106
  872   3HMC  HEC 104          3HMC      HEC 104  -2.900   8.414  -2.761
  873    HAC  HEC 104           HAC      HEC 104   1.501  10.196  -2.492
  874   1HBC  HEC 104          1HBC      HEC 104   0.588  11.354  -0.564
  875   2HBC  HEC 104          2HBC      HEC 104   0.460  12.314  -2.053
  876   3HBC  HEC 104          3HBC      HEC 104  -0.979  11.519  -1.383
  877   1HMD  HEC 104          1HMD      HEC 104   5.977   9.100   0.175
  878   2HMD  HEC 104          2HMD      HEC 104   6.320   8.448  -1.423
  879   3HMD  HEC 104          3HMD      HEC 104   4.897   9.470  -1.150
  880   1HAD  HEC 104          1HAD      HEC 104   6.540   5.509   1.854
  881   2HAD  HEC 104          2HAD      HEC 104   6.386   7.252   1.859
  882   1HBD  HEC 104          1HBD      HEC 104   7.717   6.970  -0.490
  883   2HBD  HEC 104          2HBD      HEC 104   8.271   5.515   0.311
  Start of MODEL   13
    1   1H    THR  -5          H1        THR  -5  -5.679 -12.475   9.048
    2   2H    THR  -5          H2        THR  -5  -6.205 -13.660   8.039
    3   3H    THR  -5          H3        THR  -5  -4.757 -13.777   8.713
    4    HA   THR  -5           HA       THR  -5  -6.115 -15.254   9.879
    5    HB   THR  -5           HB       THR  -5  -4.520 -13.719  11.145
    6    HG1  THR  -5           1HG      THR  -5  -6.621 -15.068  12.463
    7   1HG2  THR  -5          1HG2      THR  -5  -7.102 -12.734  12.441
    8   2HG2  THR  -5          2HG2      THR  -5  -5.437 -12.417  12.959
    9   3HG2  THR  -5          3HG2      THR  -5  -6.027 -11.734  11.438
   10    H    GLU  -4           H        GLU  -4  -8.004 -12.447   8.906
   11    HA   GLU  -4           HA       GLU  -4 -10.341 -14.064   9.687
   12   1HB   GLU  -4          2HB       GLU  -4  -9.929 -12.382  11.527
   13   2HB   GLU  -4          3HB       GLU  -4 -10.263 -11.101  10.372
   14   1HG   GLU  -4          2HG       GLU  -4 -12.363 -13.176  10.300
   15   2HG   GLU  -4          3HG       GLU  -4 -12.087 -12.644  11.948
   16    H    PHE  -3           H        PHE  -3  -9.558 -10.929   8.158
   17    HA   PHE  -3           HA       PHE  -3 -10.150 -10.040   6.114
   18   1HB   PHE  -3          2HB       PHE  -3  -8.039 -11.155   5.855
   19   2HB   PHE  -3          3HB       PHE  -3  -8.835 -12.680   5.484
   20    HD1  PHE  -3           HD1      PHE  -3  -8.668  -9.106   4.220
   21    HD2  PHE  -3           HD2      PHE  -3  -9.150 -13.283   3.251
   22    HE1  PHE  -3           HE1      PHE  -3  -8.762  -8.548   1.800
   23    HE2  PHE  -3           HE2      PHE  -3  -9.191 -12.717   0.834
   24    HZ   PHE  -3           HZ       PHE  -3  -8.999 -10.341   0.114
   25    H    LYS  -2           H        LYS  -2 -12.472  -9.952   6.253
   26    HA   LYS  -2           HA       LYS  -2 -14.215 -11.784   4.974
   27   1HB   LYS  -2          2HB       LYS  -2 -14.360  -8.783   5.523
   28   2HB   LYS  -2          3HB       LYS  -2 -15.710  -9.780   5.000
   29   1HG   LYS  -2          2HG       LYS  -2 -15.529 -11.158   7.050
   30   2HG   LYS  -2          3HG       LYS  -2 -14.152 -10.177   7.567
   31   1HD   LYS  -2          2HD       LYS  -2 -15.673  -8.140   7.532
   32   2HD   LYS  -2          3HD       LYS  -2 -17.023  -9.249   7.216
   33   1HE   LYS  -2          2HE       LYS  -2 -17.032  -8.908   9.589
   34   2HE   LYS  -2          3HE       LYS  -2 -16.343 -10.517   9.319
   35   1HZ   LYS  -2          1HZ       LYS  -2 -14.803  -8.068  10.027
   36   2HZ   LYS  -2          2HZ       LYS  -2 -14.872  -9.520  10.830
   37   3HZ   LYS  -2          3HZ       LYS  -2 -14.110  -9.470   9.499
   38    H    ALA  -1           H        ALA  -1 -12.927 -12.297   3.106
   39    HA   ALA  -1           HA       ALA  -1 -12.072 -10.903   1.002
   40   1HB   ALA  -1          1HB       ALA  -1 -13.828 -13.379   0.784
   41   2HB   ALA  -1          2HB       ALA  -1 -12.682 -12.811  -0.446
   42   3HB   ALA  -1          3HB       ALA  -1 -12.081 -13.356   1.137
   43    H    GLY   1           H        GLY   1 -12.690  -9.439  -0.391
   44   1HA   GLY   1          1HA       GLY   1 -15.580  -8.753  -0.747
   45   2HA   GLY   1          2HA       GLY   1 -14.189  -7.702  -1.030
   46    H    SER   2           H        SER   2 -13.886  -7.287  -3.151
   47    HA   SER   2           HA       SER   2 -13.656  -9.648  -4.961
   48   1HB   SER   2          2HB       SER   2 -15.913  -8.759  -5.426
   49   2HB   SER   2          3HB       SER   2 -15.189  -7.171  -5.759
   50    HG   SER   2           HG       SER   2 -15.139  -9.499  -7.252
   51    H    ALA   3           H        ALA   3 -12.011  -9.545  -6.415
   52    HA   ALA   3           HA       ALA   3 -10.010  -7.562  -6.207
   53   1HB   ALA   3          1HB       ALA   3 -10.588  -9.459  -8.519
   54   2HB   ALA   3          2HB       ALA   3  -9.062  -8.596  -8.232
   55   3HB   ALA   3          3HB       ALA   3  -9.606  -9.823  -7.077
   56    H    LYS   4           H        LYS   4 -12.927  -7.558  -8.212
   57    HA   LYS   4           HA       LYS   4 -11.961  -5.184  -9.670
   58   1HB   LYS   4          2HB       LYS   4 -13.376  -7.100 -10.679
   59   2HB   LYS   4          3HB       LYS   4 -14.768  -6.278  -9.950
   60   1HG   LYS   4          2HG       LYS   4 -14.262  -4.240 -11.247
   61   2HG   LYS   4          3HG       LYS   4 -12.739  -4.945 -11.813
   62   1HD   LYS   4          2HD       LYS   4 -14.030  -6.718 -13.009
   63   2HD   LYS   4          3HD       LYS   4 -15.541  -5.919 -12.509
   64   1HE   LYS   4          2HE       LYS   4 -14.795  -3.833 -13.650
   65   2HE   LYS   4          3HE       LYS   4 -13.293  -4.628 -14.131
   66   1HZ   LYS   4          1HZ       LYS   4 -16.013  -5.455 -14.996
   67   2HZ   LYS   4          2HZ       LYS   4 -14.916  -4.671 -15.929
   68   3HZ   LYS   4          3HZ       LYS   4 -14.620  -6.205 -15.433
   69    H    LYS   5           H        LYS   5 -13.526  -5.603  -6.825
   70    HA   LYS   5           HA       LYS   5 -14.851  -2.920  -6.634
   71   1HB   LYS   5          2HB       LYS   5 -14.116  -5.009  -4.553
   72   2HB   LYS   5          3HB       LYS   5 -14.684  -3.422  -4.117
   73   1HG   LYS   5          2HG       LYS   5 -16.471  -4.804  -6.055
   74   2HG   LYS   5          3HG       LYS   5 -16.214  -5.695  -4.569
   75   1HD   LYS   5          2HD       LYS   5 -16.735  -3.094  -3.617
   76   2HD   LYS   5          3HD       LYS   5 -17.783  -3.246  -5.026
   77   1HE   LYS   5          2HE       LYS   5 -19.008  -4.004  -3.096
   78   2HE   LYS   5          3HE       LYS   5 -18.626  -5.427  -4.081
   79   1HZ   LYS   5          1HZ       LYS   5 -17.122  -4.566  -1.634
   80   2HZ   LYS   5          2HZ       LYS   5 -18.085  -5.904  -1.751
   81   3HZ   LYS   5          3HZ       LYS   5 -16.640  -5.724  -2.537
   82    H    GLY   6           H        GLY   6 -12.003  -4.424  -5.033
   83   1HA   GLY   6          1HA       GLY   6 -10.856  -2.026  -4.122
   84   2HA   GLY   6          2HA       GLY   6  -9.972  -3.502  -4.425
   85    H    ALA   7           H        ALA   7 -10.362  -3.584  -7.345
   86    HA   ALA   7           HA       ALA   7  -8.457  -1.806  -8.389
   87   1HB   ALA   7          1HB       ALA   7 -10.873  -2.992  -9.836
   88   2HB   ALA   7          2HB       ALA   7  -9.381  -2.378 -10.584
   89   3HB   ALA   7          3HB       ALA   7  -9.329  -3.823  -9.563
   90    H    THR   8           H        THR   8 -12.020  -1.394  -8.399
   91    HA   THR   8           HA       THR   8 -12.000   1.193  -9.678
   92    HB   THR   8           HB       THR   8 -13.921  -0.728  -9.016
   93    HG1  THR   8           1HG      THR   8 -15.252   0.723 -10.162
   94   1HG2  THR   8          1HG2      THR   8 -14.785   1.888  -7.733
   95   2HG2  THR   8          2HG2      THR   8 -15.780   0.447  -8.017
   96   3HG2  THR   8          3HG2      THR   8 -14.450   0.375  -6.859
   97    H    LEU   9           H        LEU   9 -11.586   0.220  -6.356
   98    HA   LEU   9           HA       LEU   9 -11.986   2.876  -5.205
   99   1HB   LEU   9          2HB       LEU   9 -10.938   0.242  -4.164
  100   2HB   LEU   9          3HB       LEU   9 -10.819   1.720  -3.205
  101    HG   LEU   9           HG       LEU   9 -13.445   0.825  -4.373
  102   1HD1  LEU   9          1HD1      LEU   9 -12.225   0.040  -1.681
  103   2HD1  LEU   9          2HD1      LEU   9 -13.917  -0.234  -2.136
  104   3HD1  LEU   9          3HD1      LEU   9 -12.623  -1.062  -3.018
  105   1HD2  LEU   9          1HD2      LEU   9 -13.345   3.136  -3.505
  106   2HD2  LEU   9          2HD2      LEU   9 -14.390   2.119  -2.498
  107   3HD2  LEU   9          3HD2      LEU   9 -12.755   2.514  -1.939
  108    H    PHE  10           H        PHE  10  -9.169   0.732  -5.488
  109    HA   PHE  10           HA       PHE  10  -7.024   2.306  -4.871
  110   1HB   PHE  10          2HB       PHE  10  -6.881  -0.057  -5.418
  111   2HB   PHE  10          3HB       PHE  10  -7.289   0.254  -7.099
  112    HD1  PHE  10           HD1      PHE  10  -5.577   0.763  -8.714
  113    HD2  PHE  10           HD2      PHE  10  -4.659   0.692  -4.505
  114    HE1  PHE  10           HE1      PHE  10  -3.129   0.853  -9.222
  115    HE2  PHE  10           HE2      PHE  10  -2.255   0.933  -5.026
  116    HZ   PHE  10           HZ       PHE  10  -1.483   1.011  -7.386
  117    H    LYS  11           H        LYS  11  -8.573   2.200  -8.006
  118    HA   LYS  11           HA       LYS  11  -7.043   3.960  -9.605
  119   1HB   LYS  11          2HB       LYS  11  -8.842   2.499 -10.368
  120   2HB   LYS  11          3HB       LYS  11 -10.034   3.447  -9.469
  121   1HG   LYS  11          2HG       LYS  11  -9.590   5.398 -10.943
  122   2HG   LYS  11          3HG       LYS  11  -8.391   4.438 -11.842
  123   1HD   LYS  11          2HD       LYS  11 -10.138   2.826 -12.486
  124   2HD   LYS  11          3HD       LYS  11 -11.331   3.684 -11.483
  125   1HE   LYS  11          2HE       LYS  11 -10.967   5.739 -12.871
  126   2HE   LYS  11          3HE       LYS  11  -9.890   4.812 -13.926
  127   1HZ   LYS  11          1HZ       LYS  11 -12.742   4.163 -13.418
  128   2HZ   LYS  11          2HZ       LYS  11 -12.184   4.906 -14.782
  129   3HZ   LYS  11          3HZ       LYS  11 -11.755   3.352 -14.443
  130    H    THR  12           H        THR  12  -9.441   4.831  -7.174
  131    HA   THR  12           HA       THR  12  -8.655   7.698  -7.319
  132    HB   THR  12           HB       THR  12 -10.685   7.465  -8.580
  133    HG1  THR  12           1HG      THR  12 -11.751   9.090  -7.551
  134   1HG2  THR  12          1HG2      THR  12 -12.029   6.463  -6.048
  135   2HG2  THR  12          2HG2      THR  12 -12.844   6.952  -7.545
  136   3HG2  THR  12          3HG2      THR  12 -11.783   5.534  -7.538
  137    H    ARG  13           H        ARG  13  -7.620   5.761  -5.690
  138    HA   ARG  13           HA       ARG  13  -7.983   7.172  -3.082
  139   1HB   ARG  13          2HB       ARG  13  -7.756   4.140  -3.388
  140   2HB   ARG  13          3HB       ARG  13  -7.618   5.003  -1.860
  141   1HG   ARG  13          2HG       ARG  13 -10.129   4.930  -3.575
  142   2HG   ARG  13          3HG       ARG  13  -9.787   3.874  -2.211
  143   1HD   ARG  13          2HD       ARG  13  -9.701   5.859  -0.724
  144   2HD   ARG  13          3HD       ARG  13 -10.079   6.904  -2.098
  145    HE   ARG  13           HE       ARG  13 -11.892   5.051  -0.687
  146   1HH1  ARG  13          1HH2      ARG  13 -11.530   6.962  -3.602
  147   2HH1  ARG  13          2HH2      ARG  13 -13.241   7.007  -3.904
  148   1HH2  ARG  13          1HH1      ARG  13 -13.971   4.963  -1.182
  149   2HH2  ARG  13          2HH1      ARG  13 -14.634   5.854  -2.540
  150    H    CYS  14           H        CYS  14  -5.966   5.013  -5.031
  151    HA   CYS  14           HA       CYS  14  -3.545   5.801  -3.474
  152   1HB   CYS  14          2HB       CYS  14  -3.930   3.221  -4.932
  153   2HB   CYS  14          3HB       CYS  14  -2.870   3.540  -3.578
  154    H    LEU  15           H        LEU  15  -4.741   4.742  -6.674
  155    HA   LEU  15           HA       LEU  15  -2.318   4.662  -8.021
  156   1HB   LEU  15          2HB       LEU  15  -4.359   3.584  -8.709
  157   2HB   LEU  15          3HB       LEU  15  -5.130   5.125  -9.052
  158    HG   LEU  15           HG       LEU  15  -2.551   4.591 -10.506
  159   1HD1  LEU  15          1HD1      LEU  15  -5.104   3.056 -11.148
  160   2HD1  LEU  15          2HD1      LEU  15  -3.691   3.217 -12.224
  161   3HD1  LEU  15          3HD1      LEU  15  -3.515   2.390 -10.692
  162   1HD2  LEU  15          1HD2      LEU  15  -3.963   6.621 -10.949
  163   2HD2  LEU  15          2HD2      LEU  15  -3.809   5.593 -12.377
  164   3HD2  LEU  15          3HD2      LEU  15  -5.307   5.565 -11.419
  165    H    GLN  16           H        GLN  16  -4.144   7.543  -7.245
  166    HA   GLN  16           HA       GLN  16  -2.926   9.428  -8.969
  167   1HB   GLN  16          2HB       GLN  16  -3.244  11.049  -7.148
  168   2HB   GLN  16          3HB       GLN  16  -4.684  10.107  -7.516
  169   1HG   GLN  16          2HG       GLN  16  -4.397   8.751  -5.502
  170   2HG   GLN  16          3HG       GLN  16  -2.843   9.516  -5.152
  171   1HE2  GLN  16          2HE2      GLN  16  -2.820  11.604  -4.058
  172   2HE2  GLN  16          1HE2      GLN  16  -4.403  12.330  -3.701
  173    H    CYS  17           H        CYS  17  -1.519   7.848  -6.055
  174    HA   CYS  17           HA       CYS  17   0.986   9.430  -6.417
  175   1HB   CYS  17          2HB       CYS  17  -0.055   7.766  -4.109
  176   2HB   CYS  17          3HB       CYS  17   1.485   8.615  -4.129
  177    H    HIS  18           H        HIS  18  -0.296   6.174  -6.570
  178    HA   HIS  18           HA       HIS  18   2.413   4.931  -6.689
  179   1HB   HIS  18          1HB       HIS  18  -0.381   4.000  -5.908
  180   2HB   HIS  18          2HB       HIS  18   0.884   2.855  -6.238
  181    HD1  HIS  18           HD1      HIS  18   3.301   3.433  -4.773
  182    HD2  HIS  18           HD2      HIS  18  -0.494   4.596  -3.354
  183    HE1  HIS  18           HE1      HIS  18   3.535   3.764  -2.257
  184    H    THR  19           H        THR  19   2.405   2.808  -7.841
  185    HA   THR  19           HA       THR  19   0.561   2.383 -10.092
  186    HB   THR  19           HB       THR  19   2.401   1.522 -11.446
  187    HG1  THR  19           1HG      THR  19   4.383   3.046 -10.636
  188   1HG2  THR  19          1HG2      THR  19   2.683   4.511 -10.903
  189   2HG2  THR  19          2HG2      THR  19   3.110   3.648 -12.394
  190   3HG2  THR  19          3HG2      THR  19   1.415   3.757 -11.911
  191    H    VAL  20           H        VAL  20   0.705   0.024 -10.692
  192    HA   VAL  20           HA       VAL  20   1.938  -1.770  -8.691
  193    HB   VAL  20           HB       VAL  20  -0.331  -1.162  -7.811
  194   1HG1  VAL  20          1HG1      VAL  20  -1.402  -2.896 -10.072
  195   2HG1  VAL  20          2HG1      VAL  20  -2.310  -2.174  -8.735
  196   3HG1  VAL  20          3HG1      VAL  20  -1.578  -1.129  -9.974
  197   1HG2  VAL  20          1HG2      VAL  20   0.885  -3.199  -7.134
  198   2HG2  VAL  20          2HG2      VAL  20  -0.863  -3.394  -7.084
  199   3HG2  VAL  20          3HG2      VAL  20   0.083  -4.110  -8.412
  200    H    GLU  21           H        GLU  21   0.487  -1.341 -11.826
  201    HA   GLU  21           HA       GLU  21   1.175  -3.918 -12.937
  202   1HB   GLU  21          2HB       GLU  21   1.789  -1.829 -14.815
  203   2HB   GLU  21          3HB       GLU  21   0.531  -3.019 -14.847
  204   1HG   GLU  21          2HG       GLU  21  -0.433  -0.829 -15.159
  205   2HG   GLU  21          3HG       GLU  21  -1.010  -1.518 -13.653
  206    H    LYS  22           H        LYS  22   3.252  -4.735 -13.670
  207    HA   LYS  22           HA       LYS  22   5.567  -3.507 -12.551
  208   1HB   LYS  22          2HB       LYS  22   5.033  -5.986 -13.140
  209   2HB   LYS  22          3HB       LYS  22   5.648  -5.582 -14.757
  210   1HG   LYS  22          2HG       LYS  22   7.782  -4.781 -13.694
  211   2HG   LYS  22          3HG       LYS  22   7.092  -5.131 -12.101
  212   1HD   LYS  22          2HD       LYS  22   6.929  -7.560 -12.832
  213   2HD   LYS  22          3HD       LYS  22   7.613  -7.078 -14.354
  214   1HE   LYS  22          2HE       LYS  22   9.326  -8.044 -12.764
  215   2HE   LYS  22          3HE       LYS  22   9.722  -6.386 -13.247
  216   1HZ   LYS  22          1HZ       LYS  22   8.346  -7.077 -10.710
  217   2HZ   LYS  22          2HZ       LYS  22   9.968  -6.759 -10.799
  218   3HZ   LYS  22          3HZ       LYS  22   8.926  -5.585 -11.106
  219    H    GLY  23           H        GLY  23   3.983  -2.641 -15.408
  220   1HA   GLY  23          1HA       GLY  23   6.384  -1.391 -16.680
  221   2HA   GLY  23          2HA       GLY  23   4.735  -1.357 -17.308
  222    H    GLY  24           H        GLY  24   4.303  -0.721 -14.085
  223   1HA   GLY  24          1HA       GLY  24   3.683   2.040 -14.537
  224   2HA   GLY  24          2HA       GLY  24   3.492   1.077 -13.082
  225    HA   PRO  25           HA       PRO  25   7.876   3.156 -13.062
  226   1HB   PRO  25          2HB       PRO  25   7.680   5.901 -13.236
  227   2HB   PRO  25          3HB       PRO  25   7.958   4.835 -14.647
  228   1HG   PRO  25          2HG       PRO  25   5.320   5.969 -13.665
  229   2HG   PRO  25          3HG       PRO  25   5.977   5.987 -15.334
  230   1HD   PRO  25          2HD       PRO  25   4.192   4.113 -14.537
  231   2HD   PRO  25          3HD       PRO  25   5.547   3.668 -15.619
  232    H    HIS  26           H        HIS  26   8.724   3.903 -11.126
  233    HA   HIS  26           HA       HIS  26   7.100   4.370  -8.780
  234   1HB   HIS  26          2HB       HIS  26   9.964   5.232  -9.360
  235   2HB   HIS  26          3HB       HIS  26   9.184   5.143  -7.783
  236    HD1  HIS  26           HD1      HIS  26   8.003   2.036  -8.584
  237    HD2  HIS  26           HD2      HIS  26  11.918   3.569  -8.518
  238    HE1  HIS  26           HE1      HIS  26   9.584   0.070  -8.011
  239    H    LYS  27           H        LYS  27   6.350   6.239  -7.982
  240    HA   LYS  27           HA       LYS  27   6.610   8.768  -9.571
  241   1HB   LYS  27          2HB       LYS  27   4.701   7.260 -10.213
  242   2HB   LYS  27          3HB       LYS  27   4.037   7.452  -8.604
  243   1HG   LYS  27          2HG       LYS  27   3.602   9.845  -9.057
  244   2HG   LYS  27          3HG       LYS  27   4.532   9.750 -10.558
  245   1HD   LYS  27          2HD       LYS  27   2.125   9.724 -11.018
  246   2HD   LYS  27          3HD       LYS  27   2.883   8.205 -11.525
  247   1HE   LYS  27          2HE       LYS  27   2.103   7.133  -9.394
  248   2HE   LYS  27          3HE       LYS  27   1.337   8.660  -8.930
  249   1HZ   LYS  27          1HZ       LYS  27   0.611   7.023 -11.294
  250   2HZ   LYS  27          2HZ       LYS  27  -0.223   7.106  -9.908
  251   3HZ   LYS  27          3HZ       LYS  27  -0.124   8.446 -10.827
  252    H    VAL  28           H        VAL  28   4.264   9.349  -7.423
  253    HA   VAL  28           HA       VAL  28   5.819  10.805  -5.462
  254    HB   VAL  28           HB       VAL  28   2.968   9.766  -5.293
  255   1HG1  VAL  28          1HG1      VAL  28   4.373  11.904  -3.644
  256   2HG1  VAL  28          2HG1      VAL  28   2.630  11.555  -3.600
  257   3HG1  VAL  28          3HG1      VAL  28   3.782  10.340  -3.046
  258   1HG2  VAL  28          1HG2      VAL  28   3.235  11.318  -7.191
  259   2HG2  VAL  28          2HG2      VAL  28   2.291  12.060  -5.899
  260   3HG2  VAL  28          3HG2      VAL  28   3.997  12.504  -6.113
  261    H    GLY  29           H        GLY  29   4.327   7.600  -5.506
  262   1HA   GLY  29          1HA       GLY  29   6.250   6.703  -3.408
  263   2HA   GLY  29          2HA       GLY  29   4.598   6.068  -3.469
  264    HA   PRO  30           HA       PRO  30   7.638   3.611  -6.110
  265   1HB   PRO  30          2HB       PRO  30   7.684   1.258  -4.719
  266   2HB   PRO  30          3HB       PRO  30   8.670   2.679  -4.260
  267   1HG   PRO  30          2HG       PRO  30   5.986   1.800  -3.143
  268   2HG   PRO  30          3HG       PRO  30   7.470   2.262  -2.245
  269   1HD   PRO  30          2HD       PRO  30   5.475   4.043  -2.672
  270   2HD   PRO  30          3HD       PRO  30   7.174   4.535  -2.710
  271    H    ASN  31           H        ASN  31   7.350   1.205  -6.873
  272    HA   ASN  31           HA       ASN  31   4.662   0.896  -8.077
  273   1HB   ASN  31          2HB       ASN  31   6.731   0.714  -9.506
  274   2HB   ASN  31          3HB       ASN  31   7.253  -0.673  -8.529
  275   1HD2  ASN  31          2HD2      ASN  31   4.329   0.443 -10.304
  276   2HD2  ASN  31          1HD2      ASN  31   4.138  -1.111 -11.094
  277    H    LEU  32           H        LEU  32   3.184  -0.419  -7.118
  278    HA   LEU  32           HA       LEU  32   3.985  -1.885  -4.700
  279   1HB   LEU  32          2HB       LEU  32   1.287  -1.262  -5.937
  280   2HB   LEU  32          3HB       LEU  32   1.499  -2.118  -4.413
  281    HG   LEU  32           HG       LEU  32   2.422   0.742  -4.929
  282   1HD1  LEU  32          1HD1      LEU  32   0.003  -0.365  -3.447
  283   2HD1  LEU  32          2HD1      LEU  32   0.508   1.338  -3.462
  284   3HD1  LEU  32          3HD1      LEU  32  -0.001   0.558  -4.971
  285   1HD2  LEU  32          1HD2      LEU  32   3.765  -0.302  -3.165
  286   2HD2  LEU  32          2HD2      LEU  32   2.626   0.838  -2.443
  287   3HD2  LEU  32          3HD2      LEU  32   2.293  -0.907  -2.367
  288    H    HIS  33           H        HIS  33   4.289  -2.928  -7.688
  289    HA   HIS  33           HA       HIS  33   2.764  -5.185  -8.166
  290   1HB   HIS  33          2HB       HIS  33   4.192  -4.123  -9.815
  291   2HB   HIS  33          3HB       HIS  33   5.600  -4.324  -8.783
  292    HD1  HIS  33           HD1      HIS  33   3.201  -6.968 -10.329
  293    HD2  HIS  33           HD2      HIS  33   7.172  -6.037  -9.417
  294    HE1  HIS  33           HE1      HIS  33   4.578  -8.921 -11.206
  295    H    GLY  34           H        GLY  34   5.105  -5.076  -5.755
  296   1HA   GLY  34          1HA       GLY  34   5.095  -8.058  -5.376
  297   2HA   GLY  34          2HA       GLY  34   6.639  -7.306  -5.770
  298    H    ILE  35           H        ILE  35   4.263  -5.785  -3.570
  299    HA   ILE  35           HA       ILE  35   6.324  -5.605  -1.546
  300    HB   ILE  35           HB       ILE  35   4.896  -4.292  -0.285
  301   1HG1  ILE  35          2HG1      ILE  35   2.804  -5.513  -0.315
  302   2HG1  ILE  35          3HG1      ILE  35   2.610  -3.802  -0.612
  303   1HG2  ILE  35          1HG2      ILE  35   4.439  -3.562  -3.188
  304   2HG2  ILE  35          2HG2      ILE  35   4.342  -2.476  -1.787
  305   3HG2  ILE  35          3HG2      ILE  35   5.888  -3.218  -2.225
  306   1HD1  ILE  35          1HD1      ILE  35   2.475  -5.894  -2.807
  307   2HD1  ILE  35          2HD1      ILE  35   1.089  -5.187  -1.972
  308   3HD1  ILE  35          3HD1      ILE  35   2.129  -4.145  -2.936
  309    H    PHE  36           H        PHE  36   3.512  -7.780  -1.902
  310    HA   PHE  36           HA       PHE  36   3.255  -8.479   0.796
  311   1HB   PHE  36          2HB       PHE  36   2.434  -9.855  -1.770
  312   2HB   PHE  36          3HB       PHE  36   2.170 -10.604  -0.200
  313    HD1  PHE  36           HD1      PHE  36   0.745  -8.314  -2.564
  314    HD2  PHE  36           HD2      PHE  36   0.989  -9.203   1.651
  315    HE1  PHE  36           HE1      PHE  36  -1.217  -6.871  -2.139
  316    HE2  PHE  36           HE2      PHE  36  -0.969  -7.752   2.076
  317    HZ   PHE  36           HZ       PHE  36  -2.064  -6.559   0.199
  318    H    GLY  37           H        GLY  37   4.354  -9.513   2.125
  319   1HA   GLY  37          1HA       GLY  37   5.717 -11.207   3.091
  320   2HA   GLY  37          2HA       GLY  37   6.100 -11.829   1.488
  321    H    ARG  38           H        ARG  38   6.579  -8.611   1.137
  322    HA   ARG  38           HA       ARG  38   9.466  -8.692   1.812
  323   1HB   ARG  38          2HB       ARG  38   8.146  -7.564  -0.350
  324   2HB   ARG  38          3HB       ARG  38   8.152  -6.190   0.739
  325   1HG   ARG  38          2HG       ARG  38  10.069  -5.962  -0.617
  326   2HG   ARG  38          3HG       ARG  38  10.698  -6.556   0.928
  327   1HD   ARG  38          2HD       ARG  38  10.480  -8.927  -0.138
  328   2HD   ARG  38          3HD       ARG  38  10.247  -8.069  -1.672
  329    HE   ARG  38           HE       ARG  38  12.586  -7.071  -0.308
  330   1HH1  ARG  38          1HH2      ARG  38  11.619  -9.894  -2.087
  331   2HH1  ARG  38          2HH2      ARG  38  13.257 -10.405  -2.408
  332   1HH2  ARG  38          1HH1      ARG  38  14.554  -7.653  -0.702
  333   2HH2  ARG  38          2HH1      ARG  38  14.969  -9.062  -1.666
  334    H    HIS  39           H        HIS  39  10.242  -6.607   2.714
  335    HA   HIS  39           HA       HIS  39   8.622  -5.716   5.065
  336   1HB   HIS  39          2HB       HIS  39  11.622  -5.939   4.749
  337   2HB   HIS  39          3HB       HIS  39  10.822  -5.006   6.006
  338    HD1  HIS  39           HD1      HIS  39  10.468  -8.724   4.781
  339    HD2  HIS  39           HD2      HIS  39  10.408  -6.268   8.181
  340    HE1  HIS  39           HE1      HIS  39  10.230 -10.280   6.782
  341    H    SER  40           H        SER  40   8.394  -3.471   5.253
  342    HA   SER  40           HA       SER  40   8.211  -2.017   2.936
  343   1HB   SER  40          2HB       SER  40   7.650  -0.112   4.264
  344   2HB   SER  40          3HB       SER  40   7.046  -1.554   5.093
  345    HG   SER  40           HG       SER  40   9.168   0.165   5.722
  346    H    GLY  41           H        GLY  41   9.179  -0.348   1.971
  347   1HA   GLY  41          1HA       GLY  41  10.983   1.129   1.474
  348   2HA   GLY  41          2HA       GLY  41  11.973   0.386   2.694
  349    H    GLN  42           H        GLN  42  10.439  -1.495   0.048
  350    HA   GLN  42           HA       GLN  42  13.176  -2.090  -1.009
  351   1HB   GLN  42          2HB       GLN  42  11.126  -4.029   0.105
  352   2HB   GLN  42          3HB       GLN  42  12.519  -4.536  -0.867
  353   1HG   GLN  42          2HG       GLN  42  13.992  -3.257   0.767
  354   2HG   GLN  42          3HG       GLN  42  12.578  -3.125   1.813
  355   1HE2  GLN  42          2HE2      GLN  42  13.213  -4.399   3.469
  356   2HE2  GLN  42          1HE2      GLN  42  13.689  -6.092   3.304
  357    H    ALA  43           H        ALA  43  10.662  -0.784  -2.382
  358    HA   ALA  43           HA       ALA  43  10.419  -2.444  -4.777
  359   1HB   ALA  43          1HB       ALA  43  10.118   0.560  -4.463
  360   2HB   ALA  43          2HB       ALA  43   9.517  -0.455  -5.799
  361   3HB   ALA  43          3HB       ALA  43   8.827  -0.642  -4.180
  362    H    GLU  44           H        GLU  44  11.265  -1.571  -6.906
  363    HA   GLU  44           HA       GLU  44  13.965  -2.164  -6.970
  364   1HB   GLU  44          2HB       GLU  44  12.173  -1.013  -9.144
  365   2HB   GLU  44          3HB       GLU  44  13.790  -1.654  -9.396
  366   1HG   GLU  44          2HG       GLU  44  12.688  -3.515  -9.923
  367   2HG   GLU  44          3HG       GLU  44  12.834  -3.828  -8.206
  368    H    GLY  45           H        GLY  45  14.811  -0.543  -5.428
  369   1HA   GLY  45          1HA       GLY  45  16.816   0.719  -5.342
  370   2HA   GLY  45          2HA       GLY  45  16.581   1.235  -7.009
  371    H    TYR  46           H        TYR  46  13.780   1.731  -5.140
  372    HA   TYR  46           HA       TYR  46  14.140   4.658  -5.289
  373   1HB   TYR  46          2HB       TYR  46  12.214   3.386  -6.174
  374   2HB   TYR  46          3HB       TYR  46  11.667   3.085  -4.552
  375    HD1  TYR  46           HD1      TYR  46  11.953   5.548  -7.293
  376    HD2  TYR  46           HD2      TYR  46  11.066   5.055  -3.127
  377    HE1  TYR  46           HE1      TYR  46  10.680   7.697  -7.325
  378    HE2  TYR  46           HE2      TYR  46   9.775   7.226  -3.157
  379    HH   TYR  46           HH       TYR  46   8.735   8.788  -5.950
  380    H    SER  47           H        SER  47  13.883   6.150  -3.675
  381    HA   SER  47           HA       SER  47  15.040   5.201  -1.105
  382   1HB   SER  47          2HB       SER  47  15.255   7.802  -2.633
  383   2HB   SER  47          3HB       SER  47  15.809   7.625  -0.957
  384    HG   SER  47           HG       SER  47  17.462   7.183  -2.526
  385    H    TYR  48           H        TYR  48  13.567   4.963   0.423
  386    HA   TYR  48           HA       TYR  48  11.128   6.365   0.532
  387   1HB   TYR  48          2HB       TYR  48  12.423   4.302   2.331
  388   2HB   TYR  48          3HB       TYR  48  10.790   4.910   2.575
  389    HD1  TYR  48           HD1      TYR  48   8.997   3.872   1.607
  390    HD2  TYR  48           HD2      TYR  48  12.897   3.260  -0.164
  391    HE1  TYR  48           HE1      TYR  48   8.076   2.123   0.115
  392    HE2  TYR  48           HE2      TYR  48  11.913   1.618  -1.725
  393    HH   TYR  48           HH       TYR  48   8.818   0.216  -1.194
  394    H    THR  49           H        THR  49  12.299   5.932   3.730
  395    HA   THR  49           HA       THR  49  13.043   8.681   4.364
  396    HB   THR  49           HB       THR  49  11.331   8.579   6.338
  397    HG1  THR  49           1HG      THR  49   9.901   7.117   4.404
  398   1HG2  THR  49          1HG2      THR  49  10.190   9.179   3.601
  399   2HG2  THR  49          2HG2      THR  49   9.594   9.773   5.165
  400   3HG2  THR  49          3HG2      THR  49  11.179  10.294   4.565
  401    H    ASP  50           H        ASP  50  14.104   8.694   6.486
  402    HA   ASP  50           HA       ASP  50  15.230   6.230   7.363
  403   1HB   ASP  50          2HB       ASP  50  16.161   8.448   7.886
  404   2HB   ASP  50          3HB       ASP  50  14.778   8.786   8.945
  405    H    ALA  51           H        ALA  51  12.376   7.972   8.633
  406    HA   ALA  51           HA       ALA  51  11.577   6.278  10.673
  407   1HB   ALA  51          1HB       ALA  51   9.817   7.806   8.702
  408   2HB   ALA  51          2HB       ALA  51   9.321   7.194  10.294
  409   3HB   ALA  51          3HB       ALA  51  10.554   8.458  10.186
  410    H    ASN  52           H        ASN  52  10.678   5.862   7.189
  411    HA   ASN  52           HA       ASN  52   9.096   3.481   7.622
  412   1HB   ASN  52          2HB       ASN  52   8.971   4.935   5.609
  413   2HB   ASN  52          3HB       ASN  52  10.599   4.435   5.139
  414   1HD2  ASN  52          2HD2      ASN  52   7.724   4.099   3.927
  415   2HD2  ASN  52          1HD2      ASN  52   7.826   2.383   3.507
  416    H    ILE  53           H        ILE  53  12.494   3.917   6.660
  417    HA   ILE  53           HA       ILE  53  13.129   1.156   6.381
  418    HB   ILE  53           HB       ILE  53  14.796   3.586   7.002
  419   1HG1  ILE  53          2HG1      ILE  53  14.514   2.077   4.345
  420   2HG1  ILE  53          3HG1      ILE  53  13.505   3.450   4.759
  421   1HG2  ILE  53          1HG2      ILE  53  15.762   0.815   6.123
  422   2HG2  ILE  53          2HG2      ILE  53  16.792   2.260   6.193
  423   3HG2  ILE  53          3HG2      ILE  53  16.112   1.609   7.672
  424   1HD1  ILE  53          1HD1      ILE  53  16.512   3.520   4.355
  425   2HD1  ILE  53          2HD1      ILE  53  15.253   4.252   3.351
  426   3HD1  ILE  53          3HD1      ILE  53  15.553   4.880   4.985
  427    H    LYS  54           H        LYS  54  13.762   3.331   9.212
  428    HA   LYS  54           HA       LYS  54  14.612   1.219  10.965
  429   1HB   LYS  54          2HB       LYS  54  13.341   3.945  11.509
  430   2HB   LYS  54          3HB       LYS  54  13.864   2.835  12.778
  431   1HG   LYS  54          2HG       LYS  54  16.166   2.811  11.587
  432   2HG   LYS  54          3HG       LYS  54  15.601   4.260  10.737
  433   1HD   LYS  54          2HD       LYS  54  15.193   5.389  12.907
  434   2HD   LYS  54          3HD       LYS  54  15.614   3.907  13.775
  435   1HE   LYS  54          2HE       LYS  54  17.500   5.302  13.940
  436   2HE   LYS  54          3HE       LYS  54  17.929   4.025  12.789
  437   1HZ   LYS  54          1HZ       LYS  54  16.886   6.666  11.910
  438   2HZ   LYS  54          2HZ       LYS  54  18.514   6.377  12.046
  439   3HZ   LYS  54          3HZ       LYS  54  17.525   5.623  10.970
  440    H    LYS  55           H        LYS  55  11.600   1.663   9.639
  441    HA   LYS  55           HA       LYS  55  10.211   0.268  11.901
  442   1HB   LYS  55          2HB       LYS  55   9.210   2.268  10.399
  443   2HB   LYS  55          3HB       LYS  55   8.639   0.924   9.433
  444   1HG   LYS  55          2HG       LYS  55   8.142   1.370  12.431
  445   2HG   LYS  55          3HG       LYS  55   7.034   1.785  11.144
  446   1HD   LYS  55          2HD       LYS  55   6.089  -0.198  11.548
  447   2HD   LYS  55          3HD       LYS  55   7.392  -0.827  10.536
  448   1HE   LYS  55          2HE       LYS  55   8.661  -0.815  12.940
  449   2HE   LYS  55          3HE       LYS  55   6.995  -0.943  13.527
  450   1HZ   LYS  55          1HZ       LYS  55   8.403  -2.754  11.650
  451   2HZ   LYS  55          2HZ       LYS  55   7.987  -3.133  13.177
  452   3HZ   LYS  55          3HZ       LYS  55   6.802  -2.942  12.043
  453    H    ASN  56           H        ASN  56  11.095  -0.262   8.503
  454    HA   ASN  56           HA       ASN  56  10.588  -2.006   7.056
  455   1HB   ASN  56          2HB       ASN  56  12.288  -3.182   9.269
  456   2HB   ASN  56          3HB       ASN  56  11.789  -4.167   7.918
  457   1HD2  ASN  56          2HD2      ASN  56  12.152  -1.828   5.787
  458   2HD2  ASN  56          1HD2      ASN  56  13.905  -1.807   5.868
  459    H    VAL  57           H        VAL  57   8.249  -1.778   7.491
  460    HA   VAL  57           HA       VAL  57   7.057  -3.829   9.272
  461    HB   VAL  57           HB       VAL  57   6.130  -1.350   8.351
  462   1HG1  VAL  57          1HG1      VAL  57   4.302  -3.485   7.178
  463   2HG1  VAL  57          2HG1      VAL  57   3.991  -1.744   7.306
  464   3HG1  VAL  57          3HG1      VAL  57   5.275  -2.334   6.251
  465   1HG2  VAL  57          1HG2      VAL  57   5.603  -2.238  10.488
  466   2HG2  VAL  57          2HG2      VAL  57   4.076  -2.052   9.640
  467   3HG2  VAL  57          3HG2      VAL  57   4.849  -3.662   9.810
  468    H    LEU  58           H        LEU  58   6.488  -5.822   8.834
  469    HA   LEU  58           HA       LEU  58   6.887  -6.794   6.134
  470   1HB   LEU  58          2HB       LEU  58   7.166  -8.068   8.382
  471   2HB   LEU  58          3HB       LEU  58   5.448  -8.418   8.217
  472    HG   LEU  58           HG       LEU  58   7.518  -8.974   6.012
  473   1HD1  LEU  58          1HD1      LEU  58   6.407 -10.878   8.117
  474   2HD1  LEU  58          2HD1      LEU  58   7.553 -11.292   6.823
  475   3HD1  LEU  58          3HD1      LEU  58   8.050 -10.206   8.136
  476   1HD2  LEU  58          1HD2      LEU  58   5.274  -9.029   5.106
  477   2HD2  LEU  58          2HD2      LEU  58   5.893 -10.672   5.257
  478   3HD2  LEU  58          3HD2      LEU  58   4.730 -10.074   6.442
  479    H    TRP  59           H        TRP  59   5.664  -6.462   4.656
  480    HA   TRP  59           HA       TRP  59   2.886  -5.654   4.767
  481   1HB   TRP  59          2HB       TRP  59   4.631  -6.556   2.469
  482   2HB   TRP  59          3HB       TRP  59   3.007  -5.898   2.255
  483    HD1  TRP  59           HD1      TRP  59   6.246  -4.726   1.713
  484    HE1  TRP  59           HE1      TRP  59   6.515  -2.130   2.113
  485    HE3  TRP  59           HE3      TRP  59   2.037  -3.832   4.495
  486    HZ2  TRP  59           HZ2      TRP  59   5.341  -0.184   3.744
  487    HZ3  TRP  59           HZ3      TRP  59   1.654  -1.650   5.503
  488    HH2  TRP  59           HH2      TRP  59   3.311   0.220   5.173
  489    H    ASP  60           H        ASP  60   2.335  -7.359   6.210
  490    HA   ASP  60           HA       ASP  60   1.485  -9.952   5.101
  491   1HB   ASP  60          2HB       ASP  60   0.884  -8.522   7.729
  492   2HB   ASP  60          3HB       ASP  60   0.214 -10.081   7.317
  493    H    GLU  61           H        GLU  61  -0.727 -10.644   5.194
  494    HA   GLU  61           HA       GLU  61  -2.649  -9.213   3.729
  495   1HB   GLU  61          2HB       GLU  61  -4.291 -10.852   4.609
  496   2HB   GLU  61          3HB       GLU  61  -2.822 -11.580   3.971
  497   1HG   GLU  61          2HG       GLU  61  -2.075 -12.356   5.988
  498   2HG   GLU  61          3HG       GLU  61  -2.848 -11.091   6.926
  499    H    ASN  62           H        ASN  62  -2.202  -9.119   7.237
  500    HA   ASN  62           HA       ASN  62  -4.494  -7.249   7.546
  501   1HB   ASN  62          2HB       ASN  62  -3.093  -9.099   9.517
  502   2HB   ASN  62          3HB       ASN  62  -4.476  -8.080   9.834
  503   1HD2  ASN  62          2HD2      ASN  62  -5.570  -8.869   7.000
  504   2HD2  ASN  62          1HD2      ASN  62  -5.887 -10.585   7.176
  505    H    ASN  63           H        ASN  63  -1.013  -7.653   8.536
  506    HA   ASN  63           HA       ASN  63  -0.956  -5.118   9.894
  507   1HB   ASN  63          2HB       ASN  63   0.740  -6.951  10.153
  508   2HB   ASN  63          3HB       ASN  63   1.332  -6.606   8.520
  509   1HD2  ASN  63          2HD2      ASN  63   2.794  -5.045   8.242
  510   2HD2  ASN  63          1HD2      ASN  63   3.134  -3.773   9.418
  511    H    MET  64           H        MET  64  -0.778  -5.838   6.377
  512    HA   MET  64           HA       MET  64  -0.162  -3.087   5.662
  513   1HB   MET  64          2HB       MET  64   0.010  -5.020   4.041
  514   2HB   MET  64          3HB       MET  64  -1.748  -5.089   4.048
  515   1HG   MET  64          2HG       MET  64  -1.821  -2.690   3.305
  516   2HG   MET  64          3HG       MET  64  -0.060  -2.699   3.209
  517   1HE   MET  64          1HE       MET  64   0.622  -5.513   1.966
  518   2HE   MET  64          2HE       MET  64   0.590  -5.130   0.244
  519   3HE   MET  64          3HE       MET  64   1.314  -3.977   1.396
  520    H    SER  65           H        SER  65  -3.266  -4.834   6.225
  521    HA   SER  65           HA       SER  65  -5.052  -2.697   5.593
  522   1HB   SER  65          2HB       SER  65  -5.867  -5.001   6.021
  523   2HB   SER  65          3HB       SER  65  -5.260  -4.959   7.653
  524    HG   SER  65           HG       SER  65  -6.771  -3.760   8.327
  525    H    GLU  66           H        GLU  66  -3.418  -3.533   8.615
  526    HA   GLU  66           HA       GLU  66  -4.609  -1.331  10.052
  527   1HB   GLU  66          2HB       GLU  66  -2.820  -3.656  10.627
  528   2HB   GLU  66          3HB       GLU  66  -2.848  -2.356  11.791
  529   1HG   GLU  66          2HG       GLU  66  -4.561  -4.112  12.276
  530   2HG   GLU  66          3HG       GLU  66  -5.278  -2.527  12.046
  531    H    TYR  67           H        TYR  67  -1.435  -1.662   8.457
  532    HA   TYR  67           HA       TYR  67  -0.572   1.054   8.995
  533   1HB   TYR  67          2HB       TYR  67   0.913  -0.536   7.887
  534   2HB   TYR  67          3HB       TYR  67  -0.222  -0.742   6.577
  535    HD1  TYR  67           HD1      TYR  67   0.172   0.431   4.559
  536    HD2  TYR  67           HD2      TYR  67   1.715   1.967   8.252
  537    HE1  TYR  67           HE1      TYR  67   1.456   2.145   3.289
  538    HE2  TYR  67           HE2      TYR  67   2.938   3.762   7.004
  539    HH   TYR  67           HH       TYR  67   3.088   3.708   3.448
  540    H    LEU  68           H        LEU  68  -2.661  -0.255   6.355
  541    HA   LEU  68           HA       LEU  68  -3.234   2.323   5.258
  542   1HB   LEU  68          2HB       LEU  68  -4.702  -0.324   5.087
  543   2HB   LEU  68          3HB       LEU  68  -5.183   1.100   4.166
  544    HG   LEU  68           HG       LEU  68  -2.458  -0.238   3.951
  545   1HD1  LEU  68          1HD1      LEU  68  -4.853  -0.391   2.088
  546   2HD1  LEU  68          2HD1      LEU  68  -3.253  -1.124   1.828
  547   3HD1  LEU  68          3HD1      LEU  68  -4.275  -1.698   3.150
  548   1HD2  LEU  68          1HD2      LEU  68  -2.339   2.111   3.308
  549   2HD2  LEU  68          2HD2      LEU  68  -2.244   1.076   1.891
  550   3HD2  LEU  68          3HD2      LEU  68  -3.768   1.923   2.261
  551    H    THR  69           H        THR  69  -4.545   0.914   8.107
  552    HA   THR  69           HA       THR  69  -6.938   2.534   8.329
  553    HB   THR  69           HB       THR  69  -5.234   1.369  10.481
  554    HG1  THR  69           1HG      THR  69  -6.149  -0.131   9.040
  555   1HG2  THR  69          1HG2      THR  69  -8.095   2.395  10.570
  556   2HG2  THR  69          2HG2      THR  69  -7.326   1.422  11.841
  557   3HG2  THR  69          3HG2      THR  69  -6.715   3.045  11.493
  558    H    ASN  70           H        ASN  70  -3.572   3.117   9.381
  559    HA   ASN  70           HA       ASN  70  -3.963   5.977   9.187
  560   1HB   ASN  70          2HB       ASN  70  -4.870   5.459  11.482
  561   2HB   ASN  70          3HB       ASN  70  -3.245   4.958  11.959
  562   1HD2  ASN  70          2HD2      ASN  70  -5.243   7.417  12.426
  563   2HD2  ASN  70          1HD2      ASN  70  -4.099   8.762  12.238
  564    HA   PRO  71           HA       PRO  71   0.058   4.048   8.061
  565   1HB   PRO  71          2HB       PRO  71   0.697   5.633   5.890
  566   2HB   PRO  71          3HB       PRO  71  -0.466   4.273   5.818
  567   1HG   PRO  71          2HG       PRO  71  -1.086   7.223   6.217
  568   2HG   PRO  71          3HG       PRO  71  -1.835   6.104   5.046
  569   1HD   PRO  71          2HD       PRO  71  -3.035   6.624   7.380
  570   2HD   PRO  71          3HD       PRO  71  -3.017   4.943   6.755
  571    H    LYS  72           H        LYS  72  -0.689   7.364   8.493
  572    HA   LYS  72           HA       LYS  72   1.934   8.488   8.899
  573   1HB   LYS  72          2HB       LYS  72  -0.539   9.457   8.312
  574   2HB   LYS  72          3HB       LYS  72  -0.536   9.783  10.045
  575   1HG   LYS  72          2HG       LYS  72   1.621  11.050   9.750
  576   2HG   LYS  72          3HG       LYS  72   1.556  10.716   8.017
  577   1HD   LYS  72          2HD       LYS  72  -0.366  12.406   9.664
  578   2HD   LYS  72          3HD       LYS  72   0.731  12.967   8.406
  579   1HE   LYS  72          2HE       LYS  72  -1.727  11.196   8.039
  580   2HE   LYS  72          3HE       LYS  72  -1.620  12.899   7.608
  581   1HZ   LYS  72          1HZ       LYS  72   0.178  10.880   6.381
  582   2HZ   LYS  72          2HZ       LYS  72  -1.305  11.173   5.789
  583   3HZ   LYS  72          3HZ       LYS  72  -0.222  12.388   5.808
  584    H    LYS  73           H        LYS  73  -0.295   6.916  11.095
  585    HA   LYS  73           HA       LYS  73   1.283   7.722  13.473
  586   1HB   LYS  73          2HB       LYS  73  -1.084   7.430  13.818
  587   2HB   LYS  73          3HB       LYS  73  -1.062   5.802  13.119
  588   1HG   LYS  73          2HG       LYS  73   0.100   4.869  14.943
  589   2HG   LYS  73          3HG       LYS  73   0.647   6.429  15.550
  590   1HD   LYS  73          2HD       LYS  73  -2.292   5.654  15.500
  591   2HD   LYS  73          3HD       LYS  73  -1.232   5.187  16.827
  592   1HE   LYS  73          2HE       LYS  73  -1.707   8.061  15.922
  593   2HE   LYS  73          3HE       LYS  73  -2.543   7.275  17.266
  594   1HZ   LYS  73          1HZ       LYS  73   0.386   7.728  17.117
  595   2HZ   LYS  73          2HZ       LYS  73  -0.666   8.554  18.082
  596   3HZ   LYS  73          3HZ       LYS  73  -0.380   6.961  18.348
  597    H    TYR  74           H        TYR  74   0.866   4.733  11.531
  598    HA   TYR  74           HA       TYR  74   2.554   3.199  13.269
  599   1HB   TYR  74          2HB       TYR  74   0.761   2.446  11.573
  600   2HB   TYR  74          3HB       TYR  74   2.008   2.586  10.357
  601    HD1  TYR  74           HD1      TYR  74   0.785   0.147  10.350
  602    HD2  TYR  74           HD2      TYR  74   3.775   1.359  13.222
  603    HE1  TYR  74           HE1      TYR  74   1.353  -2.212  10.753
  604    HE2  TYR  74           HE2      TYR  74   4.308  -1.000  13.645
  605    HH   TYR  74           HH       TYR  74   2.589  -3.668  12.029
  606    H    ILE  75           H        ILE  75   3.227   4.873  10.207
  607    HA   ILE  75           HA       ILE  75   6.159   4.744  10.859
  608    HB   ILE  75           HB       ILE  75   4.906   5.107   8.141
  609   1HG1  ILE  75          2HG1      ILE  75   6.550   2.796   9.242
  610   2HG1  ILE  75          3HG1      ILE  75   4.806   2.757   8.982
  611   1HG2  ILE  75          1HG2      ILE  75   7.837   4.886   9.034
  612   2HG2  ILE  75          2HG2      ILE  75   7.265   5.142   7.363
  613   3HG2  ILE  75          3HG2      ILE  75   7.078   6.406   8.561
  614   1HD1  ILE  75          1HD1      ILE  75   6.952   2.958   6.846
  615   2HD1  ILE  75          2HD1      ILE  75   5.827   1.631   7.146
  616   3HD1  ILE  75          3HD1      ILE  75   5.219   3.182   6.527
  617    HA   PRO  76           HA       PRO  76   4.572   8.947  11.865
  618   1HB   PRO  76          2HB       PRO  76   6.345   9.554  13.857
  619   2HB   PRO  76          3HB       PRO  76   4.888   8.542  14.097
  620   1HG   PRO  76          2HG       PRO  76   7.736   7.621  13.610
  621   2HG   PRO  76          3HG       PRO  76   6.583   7.050  14.860
  622   1HD   PRO  76          2HD       PRO  76   6.958   5.710  12.533
  623   2HD   PRO  76          3HD       PRO  76   5.336   5.823  13.278
  624    H    GLY  77           H        GLY  77   5.046  10.255  10.258
  625   1HA   GLY  77          1HA       GLY  77   6.386  11.956   9.197
  626   2HA   GLY  77          2HA       GLY  77   7.851  11.179   9.780
  627    H    THR  78           H        THR  78   5.781   8.834   8.450
  628    HA   THR  78           HA       THR  78   7.226   8.096   6.179
  629    HB   THR  78           HB       THR  78   5.384   6.831   7.135
  630    HG1  THR  78           1HG      THR  78   4.521   6.083   5.268
  631   1HG2  THR  78          1HG2      THR  78   3.414   8.685   5.771
  632   2HG2  THR  78          2HG2      THR  78   3.057   7.210   6.695
  633   3HG2  THR  78          3HG2      THR  78   3.712   8.636   7.514
  634    H    LYS  79           H        LYS  79   7.198   8.586   3.931
  635    HA   LYS  79           HA       LYS  79   6.236  11.195   3.053
  636   1HB   LYS  79          2HB       LYS  79   6.894   8.703   1.444
  637   2HB   LYS  79          3HB       LYS  79   6.324  10.219   0.758
  638   1HG   LYS  79          2HG       LYS  79   8.477  11.261   1.775
  639   2HG   LYS  79          3HG       LYS  79   9.026   9.564   1.810
  640   1HD   LYS  79          2HD       LYS  79   8.046   9.500  -0.667
  641   2HD   LYS  79          3HD       LYS  79   8.143  11.253  -0.561
  642   1HE   LYS  79          2HE       LYS  79  10.077  10.494  -1.691
  643   2HE   LYS  79          3HE       LYS  79  10.627  10.978  -0.070
  644   1HZ   LYS  79          1HZ       LYS  79   9.994   8.165  -0.875
  645   2HZ   LYS  79          2HZ       LYS  79  11.515   8.767  -0.775
  646   3HZ   LYS  79          3HZ       LYS  79  10.596   8.631   0.548
  647    H    MET  80           H        MET  80   4.457   8.209   3.664
  648    HA   MET  80           HA       MET  80   2.461   8.598   1.644
  649   1HB   MET  80          2HB       MET  80   2.964   6.418   2.572
  650   2HB   MET  80          3HB       MET  80   2.384   6.912   4.163
  651   1HG   MET  80          2HG       MET  80   0.216   6.874   3.556
  652   2HG   MET  80          3HG       MET  80   0.501   7.377   1.898
  653   1HE   MET  80          1HE       MET  80  -1.724   5.634   1.765
  654   2HE   MET  80          2HE       MET  80  -1.546   3.873   1.950
  655   3HE   MET  80          3HE       MET  80  -1.438   4.911   3.370
  656    H    ALA  81           H        ALA  81   2.131  10.812   1.856
  657    HA   ALA  81           HA       ALA  81   1.047  12.086   4.043
  658   1HB   ALA  81          1HB       ALA  81   0.738  12.834   1.107
  659   2HB   ALA  81          2HB       ALA  81   0.565  13.949   2.478
  660   3HB   ALA  81          3HB       ALA  81   2.145  13.216   2.130
  661    H    PHE  82           H        PHE  82  -0.480   9.951   2.367
  662    HA   PHE  82           HA       PHE  82  -3.286  10.622   2.232
  663   1HB   PHE  82          2HB       PHE  82  -2.174   8.717   1.071
  664   2HB   PHE  82          3HB       PHE  82  -1.938   7.922   2.620
  665    HD1  PHE  82           HD1      PHE  82  -4.705   9.406   0.499
  666    HD2  PHE  82           HD2      PHE  82  -3.524   6.287   3.247
  667    HE1  PHE  82           HE1      PHE  82  -6.910   8.317   0.234
  668    HE2  PHE  82           HE2      PHE  82  -5.712   5.177   2.917
  669    HZ   PHE  82           HZ       PHE  82  -7.419   6.200   1.456
  670    H    GLY  83           H        GLY  83  -5.022   9.804   3.592
  671   1HA   GLY  83          1HA       GLY  83  -4.479  10.414   6.428
  672   2HA   GLY  83          2HA       GLY  83  -6.056  10.269   5.660
  673    H    GLY  84           H        GLY  84  -5.909   7.718   4.601
  674   1HA   GLY  84          1HA       GLY  84  -5.307   5.420   5.432
  675   2HA   GLY  84          2HA       GLY  84  -5.905   5.948   7.006
  676    H    LEU  85           H        LEU  85  -6.812   3.849   5.026
  677    HA   LEU  85           HA       LEU  85  -9.572   4.598   4.246
  678   1HB   LEU  85          2HB       LEU  85  -7.971   2.031   4.163
  679   2HB   LEU  85          3HB       LEU  85  -9.684   2.108   3.721
  680    HG   LEU  85           HG       LEU  85  -7.383   3.480   2.289
  681   1HD1  LEU  85          1HD1      LEU  85  -9.211   1.138   1.593
  682   2HD1  LEU  85          2HD1      LEU  85  -8.114   1.901   0.454
  683   3HD1  LEU  85          3HD1      LEU  85  -7.453   1.084   1.884
  684   1HD2  LEU  85          1HD2      LEU  85  -9.357   4.905   2.057
  685   2HD2  LEU  85          2HD2      LEU  85  -9.095   4.011   0.546
  686   3HD2  LEU  85          3HD2      LEU  85 -10.363   3.489   1.659
  687    H    LYS  86           H        LYS  86 -10.158   5.266   6.346
  688    HA   LYS  86           HA       LYS  86 -10.027   3.962   8.712
  689   1HB   LYS  86          2HB       LYS  86 -10.883   6.295   8.138
  690   2HB   LYS  86          3HB       LYS  86 -12.490   5.577   7.958
  691   1HG   LYS  86          2HG       LYS  86 -12.410   4.834  10.334
  692   2HG   LYS  86          3HG       LYS  86 -10.755   5.459  10.473
  693   1HD   LYS  86          2HD       LYS  86 -11.628   7.752   9.952
  694   2HD   LYS  86          3HD       LYS  86 -13.277   7.084   9.926
  695   1HE   LYS  86          2HE       LYS  86 -12.993   6.316  12.278
  696   2HE   LYS  86          3HE       LYS  86 -11.346   6.955  12.291
  697   1HZ   LYS  86          1HZ       LYS  86 -13.808   8.578  11.947
  698   2HZ   LYS  86          2HZ       LYS  86 -12.892   8.516  13.307
  699   3HZ   LYS  86          3HZ       LYS  86 -12.282   9.181  11.935
  700    H    LYS  87           H        LYS  87 -12.209   2.743   6.278
  701    HA   LYS  87           HA       LYS  87 -13.756   1.194   8.335
  702   1HB   LYS  87          2HB       LYS  87 -14.441   1.816   5.432
  703   2HB   LYS  87          3HB       LYS  87 -15.305   0.659   6.440
  704   1HG   LYS  87          2HG       LYS  87 -15.594   2.663   8.125
  705   2HG   LYS  87          3HG       LYS  87 -15.179   3.655   6.724
  706   1HD   LYS  87          2HD       LYS  87 -17.390   3.590   6.259
  707   2HD   LYS  87          3HD       LYS  87 -17.082   1.993   5.606
  708   1HE   LYS  87          2HE       LYS  87 -18.116   2.716   8.388
  709   2HE   LYS  87          3HE       LYS  87 -19.029   1.976   7.075
  710   1HZ   LYS  87          1HZ       LYS  87 -16.809   0.632   8.576
  711   2HZ   LYS  87          2HZ       LYS  87 -18.387   0.292   8.690
  712   3HZ   LYS  87          3HZ       LYS  87 -17.526  -0.033   7.337
  713    H    GLU  88           H        GLU  88 -14.058  -0.862   8.251
  714    HA   GLU  88           HA       GLU  88 -12.077  -2.689   7.379
  715   1HB   GLU  88          2HB       GLU  88 -13.546  -4.375   8.226
  716   2HB   GLU  88          3HB       GLU  88 -13.599  -2.965   9.269
  717   1HG   GLU  88          2HG       GLU  88 -15.767  -3.983   7.443
  718   2HG   GLU  88          3HG       GLU  88 -15.798  -3.818   9.188
  719    H    LYS  89           H        LYS  89 -15.371  -2.232   5.925
  720    HA   LYS  89           HA       LYS  89 -15.158  -4.132   3.884
  721   1HB   LYS  89          2HB       LYS  89 -16.607  -1.473   3.904
  722   2HB   LYS  89          3HB       LYS  89 -16.890  -2.745   2.734
  723   1HG   LYS  89          2HG       LYS  89 -17.140  -3.600   5.572
  724   2HG   LYS  89          3HG       LYS  89 -18.278  -2.354   5.055
  725   1HD   LYS  89          2HD       LYS  89 -19.025  -3.850   3.201
  726   2HD   LYS  89          3HD       LYS  89 -17.934  -5.119   3.827
  727   1HE   LYS  89          2HE       LYS  89 -19.080  -5.039   6.020
  728   2HE   LYS  89          3HE       LYS  89 -20.088  -3.697   5.472
  729   1HZ   LYS  89          1HZ       LYS  89 -20.166  -6.456   4.399
  730   2HZ   LYS  89          2HZ       LYS  89 -21.320  -5.748   5.335
  731   3HZ   LYS  89          3HZ       LYS  89 -21.058  -5.205   3.810
  732    H    ASP  90           H        ASP  90 -14.439  -0.717   3.599
  733    HA   ASP  90           HA       ASP  90 -13.510  -0.606   0.918
  734   1HB   ASP  90          2HB       ASP  90 -14.037   1.307   2.569
  735   2HB   ASP  90          3HB       ASP  90 -12.393   1.106   3.168
  736    H    ARG  91           H        ARG  91 -11.462  -0.951   3.896
  737    HA   ARG  91           HA       ARG  91  -9.080  -1.631   2.430
  738   1HB   ARG  91          2HB       ARG  91  -9.865  -2.400   5.282
  739   2HB   ARG  91          3HB       ARG  91  -8.259  -2.631   4.559
  740   1HG   ARG  91          2HG       ARG  91  -8.337  -0.122   3.994
  741   2HG   ARG  91          3HG       ARG  91  -9.672  -0.019   5.149
  742   1HD   ARG  91          2HD       ARG  91  -6.787  -0.802   5.608
  743   2HD   ARG  91          3HD       ARG  91  -7.629   0.578   6.306
  744    HE   ARG  91           HE       ARG  91  -7.459  -2.087   7.335
  745   1HH1  ARG  91          1HH2      ARG  91  -9.746   0.502   7.300
  746   2HH1  ARG  91          2HH2      ARG  91 -10.275   0.163   8.940
  747   1HH2  ARG  91          1HH1      ARG  91  -8.046  -2.413   9.371
  748   2HH2  ARG  91          2HH1      ARG  91  -9.366  -1.549  10.043
  749    H    ASN  92           H        ASN  92 -11.624  -3.841   3.626
  750    HA   ASN  92           HA       ASN  92 -10.173  -6.235   2.931
  751   1HB   ASN  92          2HB       ASN  92 -13.157  -5.757   3.275
  752   2HB   ASN  92          3HB       ASN  92 -12.439  -7.327   3.030
  753   1HD2  ASN  92          2HD2      ASN  92 -10.085  -6.842   4.783
  754   2HD2  ASN  92          1HD2      ASN  92 -10.798  -6.856   6.400
  755    H    ASP  93           H        ASP  93 -12.643  -4.409   1.052
  756    HA   ASP  93           HA       ASP  93 -12.371  -5.943  -1.372
  757   1HB   ASP  93          2HB       ASP  93 -13.328  -3.150  -0.688
  758   2HB   ASP  93          3HB       ASP  93 -13.112  -3.636  -2.365
  759    H    LEU  94           H        LEU  94 -10.660  -2.962  -0.291
  760    HA   LEU  94           HA       LEU  94  -9.034  -2.589  -2.577
  761   1HB   LEU  94          2HB       LEU  94  -9.371  -1.158  -0.350
  762   2HB   LEU  94          3HB       LEU  94  -7.953  -2.020   0.184
  763    HG   LEU  94           HG       LEU  94  -7.219   0.038  -0.624
  764   1HD1  LEU  94          1HD1      LEU  94  -6.835  -1.689  -3.088
  765   2HD1  LEU  94          2HD1      LEU  94  -5.880  -0.286  -2.584
  766   3HD1  LEU  94          3HD1      LEU  94  -5.847  -1.766  -1.604
  767   1HD2  LEU  94          1HD2      LEU  94  -9.305   0.717  -1.716
  768   2HD2  LEU  94          2HD2      LEU  94  -7.901   1.078  -2.731
  769   3HD2  LEU  94          3HD2      LEU  94  -8.925  -0.329  -3.109
  770    H    ILE  95           H        ILE  95  -8.324  -4.476   0.386
  771    HA   ILE  95           HA       ILE  95  -5.785  -5.486  -0.538
  772    HB   ILE  95           HB       ILE  95  -7.684  -6.323   1.671
  773   1HG1  ILE  95          2HG1      ILE  95  -4.881  -5.083   1.764
  774   2HG1  ILE  95          3HG1      ILE  95  -6.332  -4.098   1.678
  775   1HG2  ILE  95          1HG2      ILE  95  -4.904  -7.462   1.131
  776   2HG2  ILE  95          2HG2      ILE  95  -5.874  -7.752   2.589
  777   3HG2  ILE  95          3HG2      ILE  95  -6.427  -8.366   1.037
  778   1HD1  ILE  95          1HD1      ILE  95  -5.576  -5.959   3.937
  779   2HD1  ILE  95          2HD1      ILE  95  -5.691  -4.190   3.934
  780   3HD1  ILE  95          3HD1      ILE  95  -7.164  -5.169   3.790
  781    H    THR  96           H        THR  96  -9.098  -6.796  -0.765
  782    HA   THR  96           HA       THR  96  -8.403  -9.320  -1.921
  783    HB   THR  96           HB       THR  96 -10.903  -7.724  -2.626
  784    HG1  THR  96           1HG      THR  96 -10.693  -7.984  -0.352
  785   1HG2  THR  96          1HG2      THR  96 -10.344 -10.727  -2.491
  786   2HG2  THR  96          2HG2      THR  96 -11.914  -9.988  -2.840
  787   3HG2  THR  96          3HG2      THR  96 -10.574  -9.791  -3.981
  788    H    TYR  97           H        TYR  97  -8.690  -6.118  -3.399
  789    HA   TYR  97           HA       TYR  97  -7.973  -7.023  -6.105
  790   1HB   TYR  97          2HB       TYR  97  -9.101  -4.966  -5.955
  791   2HB   TYR  97          3HB       TYR  97  -8.048  -4.359  -4.698
  792    HD1  TYR  97           HD1      TYR  97  -6.244  -2.953  -5.195
  793    HD2  TYR  97           HD2      TYR  97  -7.908  -5.470  -8.284
  794    HE1  TYR  97           HE1      TYR  97  -4.798  -1.846  -6.890
  795    HE2  TYR  97           HE2      TYR  97  -6.515  -4.296  -9.981
  796    HH   TYR  97           HH       TYR  97  -4.392  -1.593  -9.112
  797    H    LEU  98           H        LEU  98  -6.056  -5.254  -3.627
  798    HA   LEU  98           HA       LEU  98  -3.785  -5.126  -5.250
  799   1HB   LEU  98          2HB       LEU  98  -4.566  -4.206  -2.736
  800   2HB   LEU  98          3HB       LEU  98  -3.184  -5.166  -2.328
  801    HG   LEU  98           HG       LEU  98  -2.820  -3.304  -4.678
  802   1HD1  LEU  98          1HD1      LEU  98  -3.039  -2.313  -1.821
  803   2HD1  LEU  98          2HD1      LEU  98  -2.372  -1.392  -3.193
  804   3HD1  LEU  98          3HD1      LEU  98  -4.070  -1.879  -3.208
  805   1HD2  LEU  98          1HD2      LEU  98  -0.940  -4.678  -3.851
  806   2HD2  LEU  98          2HD2      LEU  98  -0.618  -2.954  -3.652
  807   3HD2  LEU  98          3HD2      LEU  98  -1.091  -3.928  -2.242
  808    H    LYS  99           H        LYS  99  -4.657  -7.571  -3.054
  809    HA   LYS  99           HA       LYS  99  -2.495  -9.429  -3.082
  810   1HB   LYS  99          2HB       LYS  99  -4.576  -9.788  -1.841
  811   2HB   LYS  99          3HB       LYS  99  -5.509  -9.813  -3.328
  812   1HG   LYS  99          2HG       LYS  99  -5.331 -12.020  -2.459
  813   2HG   LYS  99          3HG       LYS  99  -4.459 -11.954  -3.986
  814   1HD   LYS  99          2HD       LYS  99  -2.332 -12.046  -2.891
  815   2HD   LYS  99          3HD       LYS  99  -3.039 -11.696  -1.294
  816   1HE   LYS  99          2HE       LYS  99  -4.165 -13.828  -1.210
  817   2HE   LYS  99          3HE       LYS  99  -3.844 -14.129  -2.928
  818   1HZ   LYS  99          1HZ       LYS  99  -1.673 -14.054  -0.907
  819   2HZ   LYS  99          2HZ       LYS  99  -2.324 -15.412  -1.639
  820   3HZ   LYS  99          3HZ       LYS  99  -1.560 -14.344  -2.524
  821    H    LYS 100           H        LYS 100  -5.100  -9.220  -5.531
  822    HA   LYS 100           HA       LYS 100  -3.488 -10.845  -7.357
  823   1HB   LYS 100          2HB       LYS 100  -6.185 -10.821  -6.821
  824   2HB   LYS 100          3HB       LYS 100  -6.152  -9.934  -8.367
  825   1HG   LYS 100          2HG       LYS 100  -4.560 -11.579  -9.245
  826   2HG   LYS 100          3HG       LYS 100  -4.698 -12.534  -7.737
  827   1HD   LYS 100          2HD       LYS 100  -6.949 -13.238  -8.519
  828   2HD   LYS 100          3HD       LYS 100  -6.646 -12.298 -10.033
  829   1HE   LYS 100          2HE       LYS 100  -4.265 -13.429  -9.966
  830   2HE   LYS 100          3HE       LYS 100  -4.938 -14.554  -8.816
  831   1HZ   LYS 100          1HZ       LYS 100  -5.831 -14.132 -11.601
  832   2HZ   LYS 100          2HZ       LYS 100  -4.953 -15.392 -11.032
  833   3HZ   LYS 100          3HZ       LYS 100  -6.529 -15.222 -10.555
  834    H    ALA 101           H        ALA 101  -3.400  -7.929  -6.781
  835    HA   ALA 101           HA       ALA 101  -2.470  -7.056  -9.499
  836   1HB   ALA 101          1HB       ALA 101  -2.141  -5.481  -6.935
  837   2HB   ALA 101          2HB       ALA 101  -2.044  -4.923  -8.623
  838   3HB   ALA 101          3HB       ALA 101  -3.602  -5.404  -7.955
  839    H    THR 102           H        THR 102  -1.278  -8.974  -6.972
  840    HA   THR 102           HA       THR 102   1.545  -8.582  -7.907
  841    HB   THR 102           HB       THR 102   2.397  -9.246  -5.823
  842    HG1  THR 102           1HG      THR 102  -0.266  -9.767  -5.160
  843   1HG2  THR 102          1HG2      THR 102   0.292  -7.151  -5.202
  844   2HG2  THR 102          2HG2      THR 102   1.916  -7.333  -4.522
  845   3HG2  THR 102          3HG2      THR 102   1.701  -6.814  -6.204
  846    H    GLU 103           H        GLU 103  -1.048 -10.945  -7.709
  847    HA   GLU 103           HA       GLU 103   0.669 -13.081  -8.778
  848   1HB   GLU 103          2HB       GLU 103  -0.215 -14.709  -7.101
  849   2HB   GLU 103          3HB       GLU 103   0.893 -13.520  -6.424
  850   1HG   GLU 103          2HG       GLU 103  -0.905 -12.272  -5.410
  851   2HG   GLU 103          3HG       GLU 103  -2.135 -13.198  -6.273
  852    HHA  HEC 104           HHA      HEC 104   5.026   3.162   0.845
  853    HHB  HEC 104           HHB      HEC 104  -0.615   0.221  -0.153
  854    HHC  HEC 104           HHC      HEC 104  -3.351   6.010  -1.292
  855    HHD  HEC 104           HHD      HEC 104   2.439   8.732  -1.066
  856   1HMA  HEC 104          1HMA      HEC 104   1.556  -1.274   1.555
  857   2HMA  HEC 104          2HMA      HEC 104   0.987  -1.339  -0.129
  858   3HMA  HEC 104          3HMA      HEC 104   2.691  -1.597   0.227
  859   1HAA  HEC 104          1HAA      HEC 104   4.394  -0.581   1.290
  860   2HAA  HEC 104          2HAA      HEC 104   4.972   0.993   1.831
  861   1HBA  HEC 104          1HBA      HEC 104   5.904   1.386  -0.451
  862   2HBA  HEC 104          2HBA      HEC 104   5.336  -0.204  -0.941
  863   1HMB  HEC 104          1HMB      HEC 104  -3.944   0.517  -0.040
  864   2HMB  HEC 104          2HMB      HEC 104  -3.886   0.668  -1.809
  865   3HMB  HEC 104          3HMB      HEC 104  -2.568  -0.112  -0.953
  866    HAB  HEC 104           HAB      HEC 104  -4.799   4.627  -1.309
  867   1HBB  HEC 104          1HBB      HEC 104  -5.269   3.462   0.798
  868   2HBB  HEC 104          2HBB      HEC 104  -6.606   3.491  -0.365
  869   3HBB  HEC 104          3HBB      HEC 104  -5.670   2.005  -0.141
  870   1HMC  HEC 104          1HMC      HEC 104  -2.730   9.639  -2.189
  871   2HMC  HEC 104          2HMC      HEC 104  -3.018   8.118  -3.043
  872   3HMC  HEC 104          3HMC      HEC 104  -3.606   8.340  -1.382
  873    HAC  HEC 104           HAC      HEC 104   1.179   9.997  -2.062
  874   1HBC  HEC 104          1HBC      HEC 104  -0.026  10.880  -0.150
  875   2HBC  HEC 104          2HBC      HEC 104   0.018  12.008  -1.519
  876   3HBC  HEC 104          3HBC      HEC 104  -1.471  11.118  -1.152
  877   1HMD  HEC 104          1HMD      HEC 104   4.676   9.104  -0.217
  878   2HMD  HEC 104          2HMD      HEC 104   6.116   8.115  -0.596
  879   3HMD  HEC 104          3HMD      HEC 104   4.810   8.292  -1.770
  880   1HAD  HEC 104          1HAD      HEC 104   6.255   4.879   1.660
  881   2HAD  HEC 104          2HAD      HEC 104   6.362   6.625   1.587
  882   1HBD  HEC 104          1HBD      HEC 104   6.823   5.962  -1.047
  883   2HBD  HEC 104          2HBD      HEC 104   7.475   4.544  -0.257
  Start of MODEL   14
    1   1H    THR  -5          H1        THR  -5  -7.050 -10.249  12.027
    2   2H    THR  -5          H2        THR  -5  -6.642 -11.666  12.761
    3   3H    THR  -5          H3        THR  -5  -6.793 -10.280  13.650
    4    HA   THR  -5           HA       THR  -5  -8.650 -11.721  14.013
    5    HB   THR  -5           HB       THR  -5  -9.424  -9.195  12.539
    6    HG1  THR  -5           1HG      THR  -5  -9.143  -8.377  14.646
    7   1HG2  THR  -5          1HG2      THR  -5 -10.762 -10.689  14.858
    8   2HG2  THR  -5          2HG2      THR  -5 -11.285  -9.139  14.162
    9   3HG2  THR  -5          3HG2      THR  -5 -11.404 -10.619  13.203
   10    H    GLU  -4           H        GLU  -4  -9.857 -10.399  10.834
   11    HA   GLU  -4           HA       GLU  -4 -10.029 -13.009   9.683
   12   1HB   GLU  -4          2HB       GLU  -4 -11.921 -13.078  11.315
   13   2HB   GLU  -4          3HB       GLU  -4 -12.574 -11.596  10.600
   14   1HG   GLU  -4          2HG       GLU  -4 -12.637 -12.833   8.359
   15   2HG   GLU  -4          3HG       GLU  -4 -12.169 -14.296   9.223
   16    H    PHE  -3           H        PHE  -3  -8.834 -11.889   8.190
   17    HA   PHE  -3           HA       PHE  -3  -9.588  -9.573   6.701
   18   1HB   PHE  -3          2HB       PHE  -3  -7.408 -10.472   6.333
   19   2HB   PHE  -3          3HB       PHE  -3  -8.058 -12.051   5.892
   20    HD1  PHE  -3           HD1      PHE  -3  -9.095  -8.611   4.700
   21    HD2  PHE  -3           HD2      PHE  -3  -7.340 -12.421   3.661
   22    HE1  PHE  -3           HE1      PHE  -3  -9.306  -8.064   2.299
   23    HE2  PHE  -3           HE2      PHE  -3  -7.519 -11.847   1.277
   24    HZ   PHE  -3           HZ       PHE  -3  -8.576  -9.701   0.577
   25    H    LYS  -2           H        LYS  -2 -11.703  -9.376   6.337
   26    HA   LYS  -2           HA       LYS  -2 -13.312 -11.480   5.143
   27   1HB   LYS  -2          2HB       LYS  -2 -13.725  -9.119   6.701
   28   2HB   LYS  -2          3HB       LYS  -2 -14.737  -8.940   5.280
   29   1HG   LYS  -2          2HG       LYS  -2 -14.615 -11.460   6.984
   30   2HG   LYS  -2          3HG       LYS  -2 -15.782 -10.168   7.260
   31   1HD   LYS  -2          2HD       LYS  -2 -17.048 -10.669   5.403
   32   2HD   LYS  -2          3HD       LYS  -2 -15.678 -11.220   4.453
   33   1HE   LYS  -2          2HE       LYS  -2 -17.230 -13.059   4.967
   34   2HE   LYS  -2          3HE       LYS  -2 -15.591 -13.344   5.562
   35   1HZ   LYS  -2          1HZ       LYS  -2 -17.759 -12.355   7.336
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.257 -13.936   7.230
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.239 -12.848   7.755
   38    H    ALA  -1           H        ALA  -1 -11.818 -11.625   3.431
   39    HA   ALA  -1           HA       ALA  -1 -11.370 -10.038   1.257
   40   1HB   ALA  -1          1HB       ALA  -1 -12.107 -12.991   1.149
   41   2HB   ALA  -1          2HB       ALA  -1 -11.195 -12.096  -0.087
   42   3HB   ALA  -1          3HB       ALA  -1 -10.500 -12.325   1.531
   43    H    GLY   1           H        GLY   1 -12.328  -9.280  -0.491
   44   1HA   GLY   1          1HA       GLY   1 -15.335  -9.463  -0.699
   45   2HA   GLY   1          2HA       GLY   1 -14.400  -7.994  -0.985
   46    H    SER   2           H        SER   2 -13.825  -7.548  -3.098
   47    HA   SER   2           HA       SER   2 -13.201  -9.869  -4.809
   48   1HB   SER   2          2HB       SER   2 -15.631  -9.430  -5.190
   49   2HB   SER   2          3HB       SER   2 -15.188  -7.861  -5.874
   50    HG   SER   2           HG       SER   2 -15.034 -10.357  -6.929
   51    H    ALA   3           H        ALA   3 -12.088  -9.454  -6.703
   52    HA   ALA   3           HA       ALA   3  -9.967  -7.591  -6.203
   53   1HB   ALA   3          1HB       ALA   3 -10.432  -9.417  -8.601
   54   2HB   ALA   3          2HB       ALA   3  -8.902  -8.621  -8.166
   55   3HB   ALA   3          3HB       ALA   3  -9.586  -9.847  -7.092
   56    H    LYS   4           H        LYS   4 -12.597  -7.501  -8.619
   57    HA   LYS   4           HA       LYS   4 -11.513  -4.937  -9.679
   58   1HB   LYS   4          2HB       LYS   4 -13.727  -6.755 -10.580
   59   2HB   LYS   4          3HB       LYS   4 -13.770  -5.043 -11.047
   60   1HG   LYS   4          2HG       LYS   4 -11.567  -5.132 -12.011
   61   2HG   LYS   4          3HG       LYS   4 -11.295  -6.779 -11.423
   62   1HD   LYS   4          2HD       LYS   4 -12.863  -7.706 -12.982
   63   2HD   LYS   4          3HD       LYS   4 -13.523  -6.117 -13.382
   64   1HE   LYS   4          2HE       LYS   4 -12.046  -6.955 -15.179
   65   2HE   LYS   4          3HE       LYS   4 -11.493  -5.428 -14.486
   66   1HZ   LYS   4          1HZ       LYS   4 -10.358  -8.108 -13.909
   67   2HZ   LYS   4          2HZ       LYS   4  -9.627  -6.890 -14.734
   68   3HZ   LYS   4          3HZ       LYS   4  -9.910  -6.725 -13.132
   69    H    LYS   5           H        LYS   5 -13.431  -5.788  -7.201
   70    HA   LYS   5           HA       LYS   5 -14.940  -3.310  -6.712
   71   1HB   LYS   5          2HB       LYS   5 -14.444  -5.891  -5.402
   72   2HB   LYS   5          3HB       LYS   5 -14.306  -4.593  -4.264
   73   1HG   LYS   5          2HG       LYS   5 -16.725  -4.819  -6.085
   74   2HG   LYS   5          3HG       LYS   5 -16.541  -5.835  -4.663
   75   1HD   LYS   5          2HD       LYS   5 -16.019  -3.333  -3.563
   76   2HD   LYS   5          3HD       LYS   5 -17.166  -2.928  -4.837
   77   1HE   LYS   5          2HE       LYS   5 -18.451  -3.394  -2.860
   78   2HE   LYS   5          3HE       LYS   5 -18.669  -4.781  -3.946
   79   1HZ   LYS   5          1HZ       LYS   5 -16.904  -4.601  -1.565
   80   2HZ   LYS   5          2HZ       LYS   5 -18.149  -5.676  -1.768
   81   3HZ   LYS   5          3HZ       LYS   5 -16.683  -5.749  -2.575
   82    H    GLY   6           H        GLY   6 -11.976  -4.630  -5.121
   83   1HA   GLY   6          1HA       GLY   6 -11.158  -2.109  -4.048
   84   2HA   GLY   6          2HA       GLY   6 -10.108  -3.477  -4.321
   85    H    ALA   7           H        ALA   7 -10.419  -3.563  -7.268
   86    HA   ALA   7           HA       ALA   7  -8.520  -1.700  -8.116
   87   1HB   ALA   7          1HB       ALA   7 -10.710  -2.887  -9.867
   88   2HB   ALA   7          2HB       ALA   7  -9.124  -2.296 -10.376
   89   3HB   ALA   7          3HB       ALA   7  -9.233  -3.754  -9.380
   90    H    THR   8           H        THR   8 -12.115  -1.394  -8.495
   91    HA   THR   8           HA       THR   8 -11.902   1.179  -9.757
   92    HB   THR   8           HB       THR   8 -13.865  -0.519  -9.754
   93    HG1  THR   8           1HG      THR   8 -15.217   1.276 -10.272
   94   1HG2  THR   8          1HG2      THR   8 -14.886   1.385  -7.606
   95   2HG2  THR   8          2HG2      THR   8 -15.804   0.128  -8.458
   96   3HG2  THR   8          3HG2      THR   8 -14.509  -0.330  -7.349
   97    H    LEU   9           H        LEU   9 -11.956   0.303  -6.380
   98    HA   LEU   9           HA       LEU   9 -12.365   2.956  -5.282
   99   1HB   LEU   9          2HB       LEU   9 -11.236   0.353  -4.219
  100   2HB   LEU   9          3HB       LEU   9 -11.141   1.831  -3.265
  101    HG   LEU   9           HG       LEU   9 -13.762   0.888  -4.419
  102   1HD1  LEU   9          1HD1      LEU   9 -12.509   0.092  -1.739
  103   2HD1  LEU   9          2HD1      LEU   9 -14.198  -0.207  -2.202
  104   3HD1  LEU   9          3HD1      LEU   9 -12.894  -0.995  -3.093
  105   1HD2  LEU   9          1HD2      LEU   9 -13.688   3.195  -3.511
  106   2HD2  LEU   9          2HD2      LEU   9 -14.706   2.147  -2.516
  107   3HD2  LEU   9          3HD2      LEU   9 -13.074   2.556  -1.961
  108    H    PHE  10           H        PHE  10  -9.471   0.901  -5.491
  109    HA   PHE  10           HA       PHE  10  -7.404   2.680  -4.961
  110   1HB   PHE  10          2HB       PHE  10  -7.002   0.335  -5.256
  111   2HB   PHE  10          3HB       PHE  10  -7.579   0.365  -6.915
  112    HD1  PHE  10           HD1      PHE  10  -6.197   1.184  -8.759
  113    HD2  PHE  10           HD2      PHE  10  -4.729   1.127  -4.708
  114    HE1  PHE  10           HE1      PHE  10  -3.896   1.649  -9.581
  115    HE2  PHE  10           HE2      PHE  10  -2.451   1.673  -5.534
  116    HZ   PHE  10           HZ       PHE  10  -2.027   1.947  -7.957
  117    H    LYS  11           H        LYS  11  -8.935   2.177  -8.090
  118    HA   LYS  11           HA       LYS  11  -7.390   3.862  -9.762
  119   1HB   LYS  11          2HB       LYS  11  -8.812   2.117 -10.554
  120   2HB   LYS  11          3HB       LYS  11 -10.258   2.867  -9.900
  121   1HG   LYS  11          2HG       LYS  11  -8.664   4.353 -11.991
  122   2HG   LYS  11          3HG       LYS  11  -9.627   2.961 -12.481
  123   1HD   LYS  11          2HD       LYS  11 -11.679   3.912 -11.727
  124   2HD   LYS  11          3HD       LYS  11 -10.864   5.218 -10.862
  125   1HE   LYS  11          2HE       LYS  11  -9.917   6.024 -13.052
  126   2HE   LYS  11          3HE       LYS  11 -10.902   4.805 -13.879
  127   1HZ   LYS  11          1HZ       LYS  11 -11.930   7.015 -12.183
  128   2HZ   LYS  11          2HZ       LYS  11 -12.037   6.943 -13.817
  129   3HZ   LYS  11          3HZ       LYS  11 -12.875   5.871 -12.888
  130    H    THR  12           H        THR  12  -9.541   4.928  -7.327
  131    HA   THR  12           HA       THR  12  -8.973   7.728  -8.169
  132    HB   THR  12           HB       THR  12 -11.230   7.057  -8.995
  133    HG1  THR  12           1HG      THR  12 -10.975   9.120  -7.105
  134   1HG2  THR  12          1HG2      THR  12 -12.055   7.121  -6.068
  135   2HG2  THR  12          2HG2      THR  12 -13.113   6.980  -7.479
  136   3HG2  THR  12          3HG2      THR  12 -11.995   5.663  -7.087
  137    H    ARG  13           H        ARG  13  -8.271   5.686  -5.929
  138    HA   ARG  13           HA       ARG  13  -8.472   7.647  -3.662
  139   1HB   ARG  13          2HB       ARG  13  -8.645   4.604  -3.547
  140   2HB   ARG  13          3HB       ARG  13  -8.637   5.645  -2.137
  141   1HG   ARG  13          2HG       ARG  13 -10.811   5.905  -4.258
  142   2HG   ARG  13          3HG       ARG  13 -10.884   4.687  -3.003
  143   1HD   ARG  13          2HD       ARG  13 -10.291   7.271  -1.808
  144   2HD   ARG  13          3HD       ARG  13 -11.682   7.416  -2.890
  145    HE   ARG  13           HE       ARG  13 -12.155   5.096  -1.390
  146   1HH1  ARG  13          1HH2      ARG  13 -11.968   8.501  -0.685
  147   2HH1  ARG  13          2HH2      ARG  13 -12.791   8.320   0.840
  148   1HH2  ARG  13          1HH1      ARG  13 -13.116   4.873   0.636
  149   2HH2  ARG  13          2HH1      ARG  13 -13.418   6.299   1.546
  150    H    CYS  14           H        CYS  14  -6.417   5.339  -5.277
  151    HA   CYS  14           HA       CYS  14  -4.087   6.179  -3.556
  152   1HB   CYS  14          2HB       CYS  14  -4.477   3.516  -4.856
  153   2HB   CYS  14          3HB       CYS  14  -3.220   3.929  -3.708
  154    H    LEU  15           H        LEU  15  -5.157   5.157  -6.817
  155    HA   LEU  15           HA       LEU  15  -2.837   4.979  -8.255
  156   1HB   LEU  15          2HB       LEU  15  -5.103   4.487  -9.055
  157   2HB   LEU  15          3HB       LEU  15  -5.491   6.210  -9.055
  158    HG   LEU  15           HG       LEU  15  -3.709   6.566 -10.797
  159   1HD1  LEU  15          1HD1      LEU  15  -3.663   3.516 -10.903
  160   2HD1  LEU  15          2HD1      LEU  15  -2.917   4.608 -12.087
  161   3HD1  LEU  15          3HD1      LEU  15  -2.310   4.571 -10.434
  162   1HD2  LEU  15          1HD2      LEU  15  -6.106   6.304 -11.369
  163   2HD2  LEU  15          2HD2      LEU  15  -5.033   5.687 -12.638
  164   3HD2  LEU  15          3HD2      LEU  15  -5.857   4.550 -11.549
  165    H    GLN  16           H        GLN  16  -4.320   8.034  -7.245
  166    HA   GLN  16           HA       GLN  16  -2.805   9.885  -8.705
  167   1HB   GLN  16          2HB       GLN  16  -3.344  11.456  -6.922
  168   2HB   GLN  16          3HB       GLN  16  -4.736  10.457  -7.330
  169   1HG   GLN  16          2HG       GLN  16  -4.313   9.034  -5.326
  170   2HG   GLN  16          3HG       GLN  16  -2.889  10.010  -4.939
  171   1HE2  GLN  16          2HE2      GLN  16  -3.214  11.735  -3.511
  172   2HE2  GLN  16          1HE2      GLN  16  -4.869  12.341  -3.246
  173    H    CYS  17           H        CYS  17  -1.539   7.793  -6.251
  174    HA   CYS  17           HA       CYS  17   1.080   9.256  -6.408
  175   1HB   CYS  17          2HB       CYS  17  -0.069   7.811  -4.018
  176   2HB   CYS  17          3HB       CYS  17   1.579   8.387  -4.138
  177    H    HIS  18           H        HIS  18  -0.480   6.181  -6.857
  178    HA   HIS  18           HA       HIS  18   2.166   4.740  -6.855
  179   1HB   HIS  18          1HB       HIS  18  -0.486   3.996  -5.564
  180   2HB   HIS  18          2HB       HIS  18   0.726   2.794  -5.951
  181    HD1  HIS  18           HD1      HIS  18   3.280   3.358  -4.778
  182    HD2  HIS  18           HD2      HIS  18  -0.302   4.808  -3.126
  183    HE1  HIS  18           HE1      HIS  18   3.728   3.749  -2.296
  184    H    THR  19           H        THR  19   2.410   2.935  -8.086
  185    HA   THR  19           HA       THR  19   0.397   2.249 -10.193
  186    HB   THR  19           HB       THR  19   2.377   1.566 -11.500
  187    HG1  THR  19           1HG      THR  19   4.155   1.678 -10.234
  188   1HG2  THR  19          1HG2      THR  19   2.131   4.522 -10.814
  189   2HG2  THR  19          2HG2      THR  19   2.836   3.843 -12.290
  190   3HG2  THR  19          3HG2      THR  19   1.108   3.632 -11.969
  191    H    VAL  20           H        VAL  20  -0.320   0.180 -10.229
  192    HA   VAL  20           HA       VAL  20   0.700  -1.691  -8.201
  193    HB   VAL  20           HB       VAL  20  -1.763  -1.059  -8.886
  194   1HG1  VAL  20          1HG1      VAL  20  -1.381  -3.514 -10.640
  195   2HG1  VAL  20          2HG1      VAL  20  -2.886  -2.665 -10.304
  196   3HG1  VAL  20          3HG1      VAL  20  -1.618  -1.853 -11.236
  197   1HG2  VAL  20          1HG2      VAL  20  -1.152  -2.426  -7.007
  198   2HG2  VAL  20          2HG2      VAL  20  -2.517  -3.163  -7.858
  199   3HG2  VAL  20          3HG2      VAL  20  -0.874  -3.828  -8.049
  200    H    GLU  21           H        GLU  21   1.654  -1.064 -11.192
  201    HA   GLU  21           HA       GLU  21   1.603  -3.623 -12.502
  202   1HB   GLU  21          2HB       GLU  21   3.219  -1.260 -13.392
  203   2HB   GLU  21          3HB       GLU  21   2.428  -2.460 -14.389
  204   1HG   GLU  21          2HG       GLU  21   0.242  -1.501 -13.981
  205   2HG   GLU  21          3HG       GLU  21   0.862  -0.398 -12.745
  206    H    LYS  22           H        LYS  22   3.386  -4.692 -13.470
  207    HA   LYS  22           HA       LYS  22   5.637  -5.098 -11.664
  208   1HB   LYS  22          2HB       LYS  22   4.295  -6.909 -12.826
  209   2HB   LYS  22          3HB       LYS  22   5.047  -6.423 -14.344
  210   1HG   LYS  22          2HG       LYS  22   7.300  -6.843 -13.328
  211   2HG   LYS  22          3HG       LYS  22   6.520  -7.365 -11.828
  212   1HD   LYS  22          2HD       LYS  22   5.362  -9.172 -13.045
  213   2HD   LYS  22          3HD       LYS  22   6.111  -8.649 -14.560
  214   1HE   LYS  22          2HE       LYS  22   7.536  -9.686 -12.062
  215   2HE   LYS  22          3HE       LYS  22   7.322 -10.583 -13.570
  216   1HZ   LYS  22          1HZ       LYS  22   8.865  -8.059 -13.293
  217   2HZ   LYS  22          2HZ       LYS  22   9.542  -9.553 -13.411
  218   3HZ   LYS  22          3HZ       LYS  22   8.712  -8.907 -14.681
  219    H    GLY  23           H        GLY  23   6.606  -3.031 -11.871
  220   1HA   GLY  23          1HA       GLY  23   8.743  -2.039 -12.640
  221   2HA   GLY  23          2HA       GLY  23   8.441  -2.701 -14.242
  222    H    GLY  24           H        GLY  24   5.711  -1.291 -12.538
  223   1HA   GLY  24          1HA       GLY  24   5.163   0.670 -14.522
  224   2HA   GLY  24          2HA       GLY  24   4.449   0.583 -12.909
  225    HA   PRO  25           HA       PRO  25   7.667   4.059 -13.450
  226   1HB   PRO  25          2HB       PRO  25   6.179   6.268 -14.071
  227   2HB   PRO  25          3HB       PRO  25   6.747   5.084 -15.285
  228   1HG   PRO  25          2HG       PRO  25   4.026   5.196 -13.945
  229   2HG   PRO  25          3HG       PRO  25   4.392   5.044 -15.694
  230   1HD   PRO  25          2HD       PRO  25   3.838   2.877 -14.145
  231   2HD   PRO  25          3HD       PRO  25   5.046   2.792 -15.458
  232    H    HIS  26           H        HIS  26   7.989   3.729 -11.290
  233    HA   HIS  26           HA       HIS  26   6.805   4.579  -8.966
  234   1HB   HIS  26          2HB       HIS  26   9.657   5.168  -9.868
  235   2HB   HIS  26          3HB       HIS  26   9.057   5.346  -8.222
  236    HD1  HIS  26           HD1      HIS  26   7.487   2.233  -8.980
  237    HD2  HIS  26           HD2      HIS  26  11.457   3.527  -8.504
  238    HE1  HIS  26           HE1      HIS  26   8.831   0.260  -7.990
  239    H    LYS  27           H        LYS  27   6.020   6.353  -8.072
  240    HA   LYS  27           HA       LYS  27   6.466   8.996  -9.383
  241   1HB   LYS  27          2HB       LYS  27   4.337   7.510 -10.042
  242   2HB   LYS  27          3HB       LYS  27   3.698   8.075  -8.528
  243   1HG   LYS  27          2HG       LYS  27   2.892   9.720  -9.906
  244   2HG   LYS  27          3HG       LYS  27   4.433  10.484  -9.526
  245   1HD   LYS  27          2HD       LYS  27   3.744   8.830 -12.002
  246   2HD   LYS  27          3HD       LYS  27   3.935  10.590 -11.931
  247   1HE   LYS  27          2HE       LYS  27   6.343  10.260 -11.281
  248   2HE   LYS  27          3HE       LYS  27   6.118   8.514 -11.438
  249   1HZ   LYS  27          1HZ       LYS  27   5.861  10.478 -13.643
  250   2HZ   LYS  27          2HZ       LYS  27   7.068   9.376 -13.437
  251   3HZ   LYS  27          3HZ       LYS  27   5.545   8.864 -13.771
  252    H    VAL  28           H        VAL  28   4.043   9.502  -7.298
  253    HA   VAL  28           HA       VAL  28   5.646  10.910  -5.359
  254    HB   VAL  28           HB       VAL  28   2.767  10.038  -5.049
  255   1HG1  VAL  28          1HG1      VAL  28   4.288  12.454  -3.980
  256   2HG1  VAL  28          2HG1      VAL  28   2.557  12.126  -3.734
  257   3HG1  VAL  28          3HG1      VAL  28   3.761  11.051  -3.022
  258   1HG2  VAL  28          1HG2      VAL  28   2.877  11.150  -7.221
  259   2HG2  VAL  28          2HG2      VAL  28   2.135  12.230  -6.057
  260   3HG2  VAL  28          3HG2      VAL  28   3.833  12.480  -6.518
  261    H    GLY  29           H        GLY  29   4.307   7.657  -5.488
  262   1HA   GLY  29          1HA       GLY  29   6.270   6.892  -3.421
  263   2HA   GLY  29          2HA       GLY  29   4.634   6.206  -3.358
  264    HA   PRO  30           HA       PRO  30   7.559   3.628  -6.057
  265   1HB   PRO  30          2HB       PRO  30   7.501   1.307  -4.585
  266   2HB   PRO  30          3HB       PRO  30   8.558   2.693  -4.185
  267   1HG   PRO  30          2HG       PRO  30   5.809   2.045  -3.048
  268   2HG   PRO  30          3HG       PRO  30   7.331   2.362  -2.150
  269   1HD   PRO  30          2HD       PRO  30   5.597   4.359  -2.533
  270   2HD   PRO  30          3HD       PRO  30   7.328   4.648  -2.739
  271    H    ASN  31           H        ASN  31   7.125   1.090  -6.734
  272    HA   ASN  31           HA       ASN  31   4.453   0.796  -7.824
  273   1HB   ASN  31          2HB       ASN  31   6.989  -0.902  -7.698
  274   2HB   ASN  31          3HB       ASN  31   5.467  -1.588  -8.201
  275   1HD2  ASN  31          2HD2      ASN  31   8.142  -0.841  -9.837
  276   2HD2  ASN  31          1HD2      ASN  31   7.381   0.201 -11.041
  277    H    LEU  32           H        LEU  32   3.059  -0.920  -7.218
  278    HA   LEU  32           HA       LEU  32   3.292  -2.052  -4.471
  279   1HB   LEU  32          2HB       LEU  32   0.804  -1.148  -5.962
  280   2HB   LEU  32          3HB       LEU  32   0.857  -1.909  -4.377
  281    HG   LEU  32           HG       LEU  32   1.939   0.855  -5.072
  282   1HD1  LEU  32          1HD1      LEU  32  -0.412  -0.065  -3.361
  283   2HD1  LEU  32          2HD1      LEU  32   0.100   1.614  -3.603
  284   3HD1  LEU  32          3HD1      LEU  32  -0.519   0.670  -4.973
  285   1HD2  LEU  32          1HD2      LEU  32   3.321  -0.074  -3.273
  286   2HD2  LEU  32          2HD2      LEU  32   2.205   1.107  -2.589
  287   3HD2  LEU  32          3HD2      LEU  32   1.873  -0.626  -2.410
  288    H    HIS  33           H        HIS  33   4.484  -3.278  -6.516
  289    HA   HIS  33           HA       HIS  33   2.785  -5.637  -7.297
  290   1HB   HIS  33          2HB       HIS  33   3.512  -4.019  -9.144
  291   2HB   HIS  33          3HB       HIS  33   5.151  -4.608  -8.877
  292    HD1  HIS  33           HD1      HIS  33   1.667  -5.831  -9.938
  293    HD2  HIS  33           HD2      HIS  33   5.621  -7.228  -9.525
  294    HE1  HIS  33           HE1      HIS  33   1.731  -8.156 -11.001
  295    H    GLY  34           H        GLY  34   3.390  -7.341  -6.146
  296   1HA   GLY  34          1HA       GLY  34   4.733  -9.005  -5.193
  297   2HA   GLY  34          2HA       GLY  34   6.156  -8.220  -5.874
  298    H    ILE  35           H        ILE  35   4.185  -6.149  -3.910
  299    HA   ILE  35           HA       ILE  35   6.267  -5.906  -1.920
  300    HB   ILE  35           HB       ILE  35   5.005  -4.261  -0.848
  301   1HG1  ILE  35          2HG1      ILE  35   2.803  -5.127  -0.689
  302   2HG1  ILE  35          3HG1      ILE  35   2.762  -3.535  -1.421
  303   1HG2  ILE  35          1HG2      ILE  35   4.694  -3.923  -3.848
  304   2HG2  ILE  35          2HG2      ILE  35   4.709  -2.629  -2.621
  305   3HG2  ILE  35          3HG2      ILE  35   6.146  -3.616  -2.886
  306   1HD1  ILE  35          1HD1      ILE  35   2.302  -6.194  -2.823
  307   2HD1  ILE  35          2HD1      ILE  35   1.135  -4.901  -2.526
  308   3HD1  ILE  35          3HD1      ILE  35   2.458  -4.641  -3.672
  309    H    PHE  36           H        PHE  36   3.353  -7.896  -2.025
  310    HA   PHE  36           HA       PHE  36   3.192  -8.411   0.792
  311   1HB   PHE  36          2HB       PHE  36   2.105  -9.863  -1.644
  312   2HB   PHE  36          3HB       PHE  36   1.834 -10.404   0.007
  313    HD1  PHE  36           HD1      PHE  36   0.561  -8.262  -2.568
  314    HD2  PHE  36           HD2      PHE  36   0.876  -8.680   1.712
  315    HE1  PHE  36           HE1      PHE  36  -1.250  -6.609  -2.269
  316    HE2  PHE  36           HE2      PHE  36  -0.946  -7.034   2.007
  317    HZ   PHE  36           HZ       PHE  36  -2.003  -5.975   0.047
  318    H    GLY  37           H        GLY  37   4.502  -9.447   1.971
  319   1HA   GLY  37          1HA       GLY  37   5.966 -11.194   2.698
  320   2HA   GLY  37          2HA       GLY  37   6.248 -11.673   1.022
  321    H    ARG  38           H        ARG  38   6.456  -8.424   0.823
  322    HA   ARG  38           HA       ARG  38   9.387  -8.344   1.207
  323   1HB   ARG  38          2HB       ARG  38   7.813  -7.282  -0.800
  324   2HB   ARG  38          3HB       ARG  38   7.873  -5.903   0.281
  325   1HG   ARG  38          2HG       ARG  38   9.701  -5.579  -1.146
  326   2HG   ARG  38          3HG       ARG  38  10.442  -6.277   0.309
  327   1HD   ARG  38          2HD       ARG  38   9.806  -8.554  -1.064
  328   2HD   ARG  38          3HD       ARG  38  10.017  -7.422  -2.403
  329    HE   ARG  38           HE       ARG  38  12.254  -7.035  -0.751
  330   1HH1  ARG  38          1HH2      ARG  38  10.959  -9.812  -2.342
  331   2HH1  ARG  38          2HH2      ARG  38  12.476 -10.690  -2.367
  332   1HH2  ARG  38          1HH1      ARG  38  14.105  -8.103  -0.694
  333   2HH2  ARG  38          2HH1      ARG  38  14.297  -9.716  -1.358
  334    H    HIS  39           H        HIS  39   9.967  -5.895   2.000
  335    HA   HIS  39           HA       HIS  39   8.833  -5.679   4.738
  336   1HB   HIS  39          2HB       HIS  39  11.741  -5.695   3.853
  337   2HB   HIS  39          3HB       HIS  39  11.189  -5.168   5.446
  338    HD1  HIS  39           HD1      HIS  39  10.979  -8.453   3.318
  339    HD2  HIS  39           HD2      HIS  39  10.804  -6.965   7.252
  340    HE1  HIS  39           HE1      HIS  39  10.796 -10.479   4.838
  341    H    SER  40           H        SER  40   8.436  -3.561   5.369
  342    HA   SER  40           HA       SER  40   8.041  -1.654   3.535
  343   1HB   SER  40          2HB       SER  40   7.724   0.010   5.218
  344   2HB   SER  40          3HB       SER  40   7.103  -1.550   5.758
  345    HG   SER  40           HG       SER  40   9.437  -0.165   6.554
  346    H    GLY  41           H        GLY  41   9.094  -0.566   2.201
  347   1HA   GLY  41          1HA       GLY  41  10.741   1.045   1.508
  348   2HA   GLY  41          2HA       GLY  41  11.802   0.575   2.817
  349    H    GLN  42           H        GLN  42  10.256  -1.452   0.247
  350    HA   GLN  42           HA       GLN  42  12.920  -1.967  -0.969
  351   1HB   GLN  42          2HB       GLN  42  11.090  -4.113   0.135
  352   2HB   GLN  42          3HB       GLN  42  12.429  -4.416  -0.990
  353   1HG   GLN  42          2HG       GLN  42  13.894  -3.178   0.727
  354   2HG   GLN  42          3HG       GLN  42  12.577  -3.440   1.863
  355   1HE2  GLN  42          2HE2      GLN  42  14.599  -4.607   2.882
  356   2HE2  GLN  42          1HE2      GLN  42  14.741  -6.313   2.452
  357    H    ALA  43           H        ALA  43  11.457  -0.412  -2.396
  358    HA   ALA  43           HA       ALA  43  10.422  -2.049  -4.652
  359   1HB   ALA  43          1HB       ALA  43  10.544   0.957  -4.223
  360   2HB   ALA  43          2HB       ALA  43   9.879   0.156  -5.665
  361   3HB   ALA  43          3HB       ALA  43   9.124  -0.114  -4.097
  362    H    GLU  44           H        GLU  44  11.280  -0.606  -6.853
  363    HA   GLU  44           HA       GLU  44  13.825  -1.961  -7.149
  364   1HB   GLU  44          2HB       GLU  44  11.808  -2.138  -8.602
  365   2HB   GLU  44          3HB       GLU  44  12.129  -0.515  -9.216
  366   1HG   GLU  44          2HG       GLU  44  14.168  -1.256 -10.276
  367   2HG   GLU  44          3HG       GLU  44  14.192  -2.749  -9.331
  368    H    GLY  45           H        GLY  45  14.940  -0.466  -5.671
  369   1HA   GLY  45          1HA       GLY  45  16.852   0.926  -5.565
  370   2HA   GLY  45          2HA       GLY  45  16.567   1.441  -7.225
  371    H    TYR  46           H        TYR  46  13.690   2.013  -5.939
  372    HA   TYR  46           HA       TYR  46  13.956   4.868  -5.555
  373   1HB   TYR  46          2HB       TYR  46  12.023   3.599  -6.448
  374   2HB   TYR  46          3HB       TYR  46  11.661   2.993  -4.859
  375    HD1  TYR  46           HD1      TYR  46  11.142   5.651  -7.227
  376    HD2  TYR  46           HD2      TYR  46  11.210   4.822  -3.003
  377    HE1  TYR  46           HE1      TYR  46   9.536   7.525  -6.840
  378    HE2  TYR  46           HE2      TYR  46   9.607   6.689  -2.623
  379    HH   TYR  46           HH       TYR  46   8.183   8.573  -5.303
  380    H    SER  47           H        SER  47  14.535   6.002  -3.758
  381    HA   SER  47           HA       SER  47  14.863   4.553  -1.228
  382   1HB   SER  47          2HB       SER  47  16.020   6.509  -0.422
  383   2HB   SER  47          3HB       SER  47  16.673   5.960  -1.975
  384    HG   SER  47           HG       SER  47  16.455   8.182  -2.003
  385    H    TYR  48           H        TYR  48  14.028   5.070   0.693
  386    HA   TYR  48           HA       TYR  48  11.291   6.253   0.643
  387   1HB   TYR  48          2HB       TYR  48  12.601   3.960   2.144
  388   2HB   TYR  48          3HB       TYR  48  11.037   4.605   2.589
  389    HD1  TYR  48           HD1      TYR  48   9.081   3.898   1.537
  390    HD2  TYR  48           HD2      TYR  48  12.873   2.988  -0.316
  391    HE1  TYR  48           HE1      TYR  48   7.987   2.187   0.116
  392    HE2  TYR  48           HE2      TYR  48  11.735   1.414  -1.841
  393    HH   TYR  48           HH       TYR  48   8.623   0.126  -1.127
  394    H    THR  49           H        THR  49  10.597   6.755   3.048
  395    HA   THR  49           HA       THR  49  12.403   8.740   4.232
  396    HB   THR  49           HB       THR  49  10.801   8.826   6.094
  397    HG1  THR  49           1HG      THR  49   9.001   7.213   4.711
  398   1HG2  THR  49          1HG2      THR  49   9.388   8.942   3.415
  399   2HG2  THR  49          2HG2      THR  49   8.972   9.808   4.914
  400   3HG2  THR  49          3HG2      THR  49  10.470  10.199   4.066
  401    H    ASP  50           H        ASP  50  13.491   8.642   6.125
  402    HA   ASP  50           HA       ASP  50  14.790   6.368   7.067
  403   1HB   ASP  50          2HB       ASP  50  15.382   8.701   7.568
  404   2HB   ASP  50          3HB       ASP  50  13.913   8.895   8.532
  405    H    ALA  51           H        ALA  51  11.774   7.786   8.397
  406    HA   ALA  51           HA       ALA  51  11.271   5.899  10.407
  407   1HB   ALA  51          1HB       ALA  51   9.278   7.498   8.737
  408   2HB   ALA  51          2HB       ALA  51   8.961   6.751  10.322
  409   3HB   ALA  51          3HB       ALA  51  10.132   8.071  10.191
  410    H    ASN  52           H        ASN  52  10.221   5.717   6.954
  411    HA   ASN  52           HA       ASN  52   8.749   3.237   7.318
  412   1HB   ASN  52          2HB       ASN  52   8.283   4.824   5.500
  413   2HB   ASN  52          3HB       ASN  52   9.895   4.559   4.823
  414   1HD2  ASN  52          2HD2      ASN  52  10.232   2.707   3.528
  415   2HD2  ASN  52          1HD2      ASN  52   8.899   1.577   3.252
  416    H    ILE  53           H        ILE  53  12.096   3.955   6.414
  417    HA   ILE  53           HA       ILE  53  12.879   1.220   5.864
  418    HB   ILE  53           HB       ILE  53  14.454   3.674   6.648
  419   1HG1  ILE  53          2HG1      ILE  53  14.316   2.342   3.899
  420   2HG1  ILE  53          3HG1      ILE  53  13.186   3.594   4.383
  421   1HG2  ILE  53          1HG2      ILE  53  15.515   0.991   5.626
  422   2HG2  ILE  53          2HG2      ILE  53  16.497   2.461   5.798
  423   3HG2  ILE  53          3HG2      ILE  53  15.822   1.699   7.226
  424   1HD1  ILE  53          1HD1      ILE  53  16.194   3.949   4.135
  425   2HD1  ILE  53          2HD1      ILE  53  14.931   4.623   3.094
  426   3HD1  ILE  53          3HD1      ILE  53  15.073   5.175   4.772
  427    H    LYS  54           H        LYS  54  13.566   3.251   8.769
  428    HA   LYS  54           HA       LYS  54  14.499   1.122  10.427
  429   1HB   LYS  54          2HB       LYS  54  13.129   3.762  11.101
  430   2HB   LYS  54          3HB       LYS  54  13.866   2.684  12.300
  431   1HG   LYS  54          2HG       LYS  54  16.041   2.833  11.101
  432   2HG   LYS  54          3HG       LYS  54  15.332   3.991   9.966
  433   1HD   LYS  54          2HD       LYS  54  14.823   5.534  11.790
  434   2HD   LYS  54          3HD       LYS  54  15.504   4.413  12.987
  435   1HE   LYS  54          2HE       LYS  54  17.712   4.758  12.275
  436   2HE   LYS  54          3HE       LYS  54  17.198   5.165  10.621
  437   1HZ   LYS  54          1HZ       LYS  54  16.713   6.996  12.886
  438   2HZ   LYS  54          2HZ       LYS  54  17.937   7.145  11.744
  439   3HZ   LYS  54          3HZ       LYS  54  16.384   7.199  11.293
  440    H    LYS  55           H        LYS  55  11.414   1.460   9.202
  441    HA   LYS  55           HA       LYS  55  10.126   0.008  11.464
  442   1HB   LYS  55          2HB       LYS  55   9.029   1.721   9.541
  443   2HB   LYS  55          3HB       LYS  55   8.613   0.142   8.925
  444   1HG   LYS  55          2HG       LYS  55   6.808   0.668  10.312
  445   2HG   LYS  55          3HG       LYS  55   7.800  -0.404  11.311
  446   1HD   LYS  55          2HD       LYS  55   8.866   1.878  12.171
  447   2HD   LYS  55          3HD       LYS  55   7.363   2.577  11.561
  448   1HE   LYS  55          2HE       LYS  55   7.665   0.296  13.571
  449   2HE   LYS  55          3HE       LYS  55   7.193   1.954  13.966
  450   1HZ   LYS  55          1HZ       LYS  55   5.621   0.187  12.172
  451   2HZ   LYS  55          2HZ       LYS  55   5.280   0.391  13.768
  452   3HZ   LYS  55          3HZ       LYS  55   5.169   1.656  12.716
  453    H    ASN  56           H        ASN  56  11.610  -0.808   8.415
  454    HA   ASN  56           HA       ASN  56  10.925  -2.544   6.929
  455   1HB   ASN  56          2HB       ASN  56  12.926  -3.528   8.958
  456   2HB   ASN  56          3HB       ASN  56  12.497  -4.465   7.548
  457   1HD2  ASN  56          2HD2      ASN  56  12.291  -1.807   5.781
  458   2HD2  ASN  56          1HD2      ASN  56  14.016  -1.533   5.649
  459    H    VAL  57           H        VAL  57   8.669  -2.429   7.813
  460    HA   VAL  57           HA       VAL  57   7.609  -4.710   9.281
  461    HB   VAL  57           HB       VAL  57   6.355  -2.527   7.562
  462   1HG1  VAL  57          1HG1      VAL  57   4.928  -4.684   9.154
  463   2HG1  VAL  57          2HG1      VAL  57   4.161  -3.241   8.453
  464   3HG1  VAL  57          3HG1      VAL  57   4.839  -4.456   7.390
  465   1HG2  VAL  57          1HG2      VAL  57   7.311  -1.910   9.768
  466   2HG2  VAL  57          2HG2      VAL  57   5.554  -1.697   9.719
  467   3HG2  VAL  57          3HG2      VAL  57   6.263  -3.103  10.552
  468    H    LEU  58           H        LEU  58   7.694  -6.719   8.495
  469    HA   LEU  58           HA       LEU  58   7.659  -7.428   5.737
  470   1HB   LEU  58          2HB       LEU  58   8.356  -8.854   7.695
  471   2HB   LEU  58          3HB       LEU  58   6.651  -9.161   8.012
  472    HG   LEU  58           HG       LEU  58   8.028  -9.751   5.334
  473   1HD1  LEU  58          1HD1      LEU  58   7.450 -11.651   7.650
  474   2HD1  LEU  58          2HD1      LEU  58   8.146 -12.091   6.072
  475   3HD1  LEU  58          3HD1      LEU  58   9.055 -11.054   7.179
  476   1HD2  LEU  58          1HD2      LEU  58   5.626  -9.719   5.022
  477   2HD2  LEU  58          2HD2      LEU  58   6.114 -11.404   5.108
  478   3HD2  LEU  58          3HD2      LEU  58   5.360 -10.638   6.521
  479    H    TRP  59           H        TRP  59   6.128  -6.711   4.452
  480    HA   TRP  59           HA       TRP  59   3.419  -6.071   5.146
  481   1HB   TRP  59          2HB       TRP  59   4.818  -6.509   2.500
  482   2HB   TRP  59          3HB       TRP  59   3.175  -5.895   2.623
  483    HD1  TRP  59           HD1      TRP  59   6.278  -4.541   1.760
  484    HE1  TRP  59           HE1      TRP  59   6.490  -2.003   2.368
  485    HE3  TRP  59           HE3      TRP  59   2.418  -4.112   5.087
  486    HZ2  TRP  59           HZ2      TRP  59   5.373  -0.209   4.173
  487    HZ3  TRP  59           HZ3      TRP  59   1.955  -2.001   6.190
  488    HH2  TRP  59           HH2      TRP  59   3.474  -0.002   5.824
  489    H    ASP  60           H        ASP  60   2.042  -7.647   5.857
  490    HA   ASP  60           HA       ASP  60   1.300  -9.688   3.813
  491   1HB   ASP  60          2HB       ASP  60   0.664 -11.226   5.277
  492   2HB   ASP  60          3HB       ASP  60   1.861 -10.466   6.306
  493    H    GLU  61           H        GLU  61  -1.094 -10.185   4.053
  494    HA   GLU  61           HA       GLU  61  -2.682  -8.096   2.976
  495   1HB   GLU  61          2HB       GLU  61  -3.283 -10.797   4.211
  496   2HB   GLU  61          3HB       GLU  61  -4.565  -9.772   3.546
  497   1HG   GLU  61          2HG       GLU  61  -3.755  -9.912   1.349
  498   2HG   GLU  61          3HG       GLU  61  -2.123 -10.300   1.845
  499    H    ASN  62           H        ASN  62  -2.677  -9.283   6.423
  500    HA   ASN  62           HA       ASN  62  -4.603  -7.173   7.041
  501   1HB   ASN  62          2HB       ASN  62  -5.218  -8.346   8.764
  502   2HB   ASN  62          3HB       ASN  62  -4.830  -9.636   7.652
  503   1HD2  ASN  62          2HD2      ASN  62  -1.952 -10.024   8.305
  504   2HD2  ASN  62          1HD2      ASN  62  -1.960 -10.410  10.001
  505    H    ASN  63           H        ASN  63  -1.256  -7.845   7.958
  506    HA   ASN  63           HA       ASN  63  -0.851  -5.566   9.653
  507   1HB   ASN  63          2HB       ASN  63   0.684  -7.480   9.284
  508   2HB   ASN  63          3HB       ASN  63   1.033  -6.903   7.645
  509   1HD2  ASN  63          2HD2      ASN  63   3.059  -7.498   9.268
  510   2HD2  ASN  63          1HD2      ASN  63   3.825  -6.027   9.849
  511    H    MET  64           H        MET  64  -0.693  -5.774   6.040
  512    HA   MET  64           HA       MET  64  -0.126  -2.947   5.699
  513   1HB   MET  64          2HB       MET  64   0.226  -4.700   3.905
  514   2HB   MET  64          3HB       MET  64  -1.518  -4.801   3.769
  515   1HG   MET  64          2HG       MET  64  -1.528  -2.297   3.276
  516   2HG   MET  64          3HG       MET  64   0.228  -2.382   3.207
  517   1HE   MET  64          1HE       MET  64   0.744  -5.154   1.735
  518   2HE   MET  64          2HE       MET  64   0.759  -4.645   0.041
  519   3HE   MET  64          3HE       MET  64   1.569  -3.651   1.281
  520    H    SER  65           H        SER  65  -3.197  -4.805   6.076
  521    HA   SER  65           HA       SER  65  -4.814  -2.550   5.355
  522   1HB   SER  65          2HB       SER  65  -6.658  -3.741   5.718
  523   2HB   SER  65          3HB       SER  65  -5.520  -5.073   5.535
  524    HG   SER  65           HG       SER  65  -7.082  -5.074   7.390
  525    H    GLU  66           H        GLU  66  -3.553  -3.557   8.563
  526    HA   GLU  66           HA       GLU  66  -4.805  -1.427  10.013
  527   1HB   GLU  66          2HB       GLU  66  -3.726  -3.462  11.022
  528   2HB   GLU  66          3HB       GLU  66  -2.155  -2.799  10.591
  529   1HG   GLU  66          2HG       GLU  66  -2.532  -2.340  12.909
  530   2HG   GLU  66          3HG       GLU  66  -2.589  -0.816  12.046
  531    H    TYR  67           H        TYR  67  -1.588  -1.607   8.452
  532    HA   TYR  67           HA       TYR  67  -0.678   1.047   8.898
  533   1HB   TYR  67          2HB       TYR  67   0.792  -0.537   7.924
  534   2HB   TYR  67          3HB       TYR  67  -0.321  -0.927   6.642
  535    HD1  TYR  67           HD1      TYR  67   0.414  -0.286   4.524
  536    HD2  TYR  67           HD2      TYR  67   1.192   2.229   7.909
  537    HE1  TYR  67           HE1      TYR  67   1.680   1.272   3.063
  538    HE2  TYR  67           HE2      TYR  67   2.504   3.804   6.437
  539    HH   TYR  67           HH       TYR  67   3.444   2.935   3.276
  540    H    LEU  68           H        LEU  68  -2.704  -0.110   6.176
  541    HA   LEU  68           HA       LEU  68  -3.178   2.511   5.067
  542   1HB   LEU  68          2HB       LEU  68  -4.694  -0.107   4.807
  543   2HB   LEU  68          3HB       LEU  68  -5.044   1.327   3.841
  544    HG   LEU  68           HG       LEU  68  -2.338  -0.093   3.826
  545   1HD1  LEU  68          1HD1      LEU  68  -4.665  -0.246   1.873
  546   2HD1  LEU  68          2HD1      LEU  68  -3.063  -0.980   1.642
  547   3HD1  LEU  68          3HD1      LEU  68  -4.109  -1.548   2.946
  548   1HD2  LEU  68          1HD2      LEU  68  -2.114   2.212   3.165
  549   2HD2  LEU  68          2HD2      LEU  68  -1.955   1.152   1.773
  550   3HD2  LEU  68          3HD2      LEU  68  -3.472   2.058   2.017
  551    H    THR  69           H        THR  69  -4.579   1.064   7.862
  552    HA   THR  69           HA       THR  69  -7.004   2.658   8.008
  553    HB   THR  69           HB       THR  69  -5.800   0.639   9.605
  554    HG1  THR  69           1HG      THR  69  -7.669   0.332   9.931
  555   1HG2  THR  69          1HG2      THR  69  -6.330   3.143  11.287
  556   2HG2  THR  69          2HG2      THR  69  -6.333   1.496  11.906
  557   3HG2  THR  69          3HG2      THR  69  -4.850   2.159  11.242
  558    H    ASN  70           H        ASN  70  -3.668   3.117   9.138
  559    HA   ASN  70           HA       ASN  70  -3.998   6.029   9.187
  560   1HB   ASN  70          2HB       ASN  70  -4.976   5.226  11.373
  561   2HB   ASN  70          3HB       ASN  70  -3.375   4.638  11.817
  562   1HD2  ASN  70          2HD2      ASN  70  -5.250   6.977  12.760
  563   2HD2  ASN  70          1HD2      ASN  70  -4.100   8.327  12.722
  564    HA   PRO  71           HA       PRO  71   0.080   4.185   8.007
  565   1HB   PRO  71          2HB       PRO  71   0.710   5.929   5.955
  566   2HB   PRO  71          3HB       PRO  71  -0.347   4.497   5.756
  567   1HG   PRO  71          2HG       PRO  71  -1.199   7.367   6.248
  568   2HG   PRO  71          3HG       PRO  71  -1.819   6.239   5.013
  569   1HD   PRO  71          2HD       PRO  71  -3.145   6.591   7.320
  570   2HD   PRO  71          3HD       PRO  71  -2.980   4.946   6.635
  571    H    LYS  72           H        LYS  72  -0.783   7.502   8.313
  572    HA   LYS  72           HA       LYS  72   1.607   8.840   8.884
  573   1HB   LYS  72          2HB       LYS  72  -0.918   9.510   8.343
  574   2HB   LYS  72          3HB       LYS  72  -1.065   9.648  10.088
  575   1HG   LYS  72          2HG       LYS  72   0.635  11.381  10.154
  576   2HG   LYS  72          3HG       LYS  72   1.081  11.097   8.465
  577   1HD   LYS  72          2HD       LYS  72  -1.652  12.112   9.378
  578   2HD   LYS  72          3HD       LYS  72  -0.326  13.131   8.788
  579   1HE   LYS  72          2HE       LYS  72  -0.329  11.814   6.639
  580   2HE   LYS  72          3HE       LYS  72  -1.755  10.939   7.201
  581   1HZ   LYS  72          1HZ       LYS  72  -1.638  13.864   6.792
  582   2HZ   LYS  72          2HZ       LYS  72  -2.265  12.787   5.734
  583   3HZ   LYS  72          3HZ       LYS  72  -2.992  13.003   7.204
  584    H    LYS  73           H        LYS  73  -0.477   7.135  11.148
  585    HA   LYS  73           HA       LYS  73   1.447   7.747  13.352
  586   1HB   LYS  73          2HB       LYS  73  -1.102   8.115  13.545
  587   2HB   LYS  73          3HB       LYS  73  -1.227   6.365  13.686
  588   1HG   LYS  73          2HG       LYS  73   0.835   7.309  15.527
  589   2HG   LYS  73          3HG       LYS  73  -0.550   8.371  15.662
  590   1HD   LYS  73          2HD       LYS  73  -0.818   6.682  17.295
  591   2HD   LYS  73          3HD       LYS  73  -2.018   6.352  16.033
  592   1HE   LYS  73          2HE       LYS  73  -0.541   4.603  15.078
  593   2HE   LYS  73          3HE       LYS  73   0.717   5.004  16.244
  594   1HZ   LYS  73          1HZ       LYS  73  -1.951   3.875  16.908
  595   2HZ   LYS  73          2HZ       LYS  73  -0.513   3.088  17.010
  596   3HZ   LYS  73          3HZ       LYS  73  -0.838   4.334  18.023
  597    H    TYR  74           H        TYR  74   0.552   5.036  11.295
  598    HA   TYR  74           HA       TYR  74   1.785   3.014  12.976
  599   1HB   TYR  74          2HB       TYR  74   0.155   2.634  11.071
  600   2HB   TYR  74          3HB       TYR  74   1.446   3.039   9.961
  601    HD1  TYR  74           HD1      TYR  74   2.774   1.223   9.116
  602    HD2  TYR  74           HD2      TYR  74   0.683   0.745  12.860
  603    HE1  TYR  74           HE1      TYR  74   3.430  -1.150   9.177
  604    HE2  TYR  74           HE2      TYR  74   1.442  -1.638  12.953
  605    HH   TYR  74           HH       TYR  74   2.516  -3.368  10.436
  606    H    ILE  75           H        ILE  75   2.868   5.106  10.363
  607    HA   ILE  75           HA       ILE  75   5.742   4.622  11.074
  608    HB   ILE  75           HB       ILE  75   4.698   5.251   8.303
  609   1HG1  ILE  75          2HG1      ILE  75   5.397   2.569   9.543
  610   2HG1  ILE  75          3HG1      ILE  75   3.871   3.084   8.812
  611   1HG2  ILE  75          1HG2      ILE  75   7.421   4.254   9.288
  612   2HG2  ILE  75          2HG2      ILE  75   6.993   4.761   7.634
  613   3HG2  ILE  75          3HG2      ILE  75   7.061   5.953   8.908
  614   1HD1  ILE  75          1HD1      ILE  75   6.458   2.474   7.365
  615   2HD1  ILE  75          2HD1      ILE  75   4.914   1.621   7.263
  616   3HD1  ILE  75          3HD1      ILE  75   5.055   3.258   6.593
  617    HA   PRO  76           HA       PRO  76   4.537   9.064  11.814
  618   1HB   PRO  76          2HB       PRO  76   5.886   9.445  14.160
  619   2HB   PRO  76          3HB       PRO  76   4.261   8.695  14.069
  620   1HG   PRO  76          2HG       PRO  76   6.949   7.301  14.253
  621   2HG   PRO  76          3HG       PRO  76   5.466   6.976  15.203
  622   1HD   PRO  76          2HD       PRO  76   6.150   5.510  13.009
  623   2HD   PRO  76          3HD       PRO  76   4.442   5.873  13.393
  624    H    GLY  77           H        GLY  77   5.628   9.982  10.215
  625   1HA   GLY  77          1HA       GLY  77   7.665  11.437   9.757
  626   2HA   GLY  77          2HA       GLY  77   8.627  10.012  10.127
  627    H    THR  78           H        THR  78   6.018   8.713   8.574
  628    HA   THR  78           HA       THR  78   7.323   8.227   6.102
  629    HB   THR  78           HB       THR  78   5.625   6.754   7.050
  630    HG1  THR  78           1HG      THR  78   6.079   6.914   4.706
  631   1HG2  THR  78          1HG2      THR  78   3.491   8.696   6.061
  632   2HG2  THR  78          2HG2      THR  78   3.254   7.136   6.869
  633   3HG2  THR  78          3HG2      THR  78   3.929   8.508   7.765
  634    H    LYS  79           H        LYS  79   6.979   8.862   4.069
  635    HA   LYS  79           HA       LYS  79   5.866  11.515   3.378
  636   1HB   LYS  79          2HB       LYS  79   7.332   9.287   1.979
  637   2HB   LYS  79          3HB       LYS  79   6.402  10.431   1.003
  638   1HG   LYS  79          2HG       LYS  79   7.716  12.294   1.688
  639   2HG   LYS  79          3HG       LYS  79   8.600  11.326   2.883
  640   1HD   LYS  79          2HD       LYS  79   9.437   9.839   1.074
  641   2HD   LYS  79          3HD       LYS  79   8.518  10.768  -0.125
  642   1HE   LYS  79          2HE       LYS  79   9.872  12.773   0.383
  643   2HE   LYS  79          3HE       LYS  79  10.790  11.854   1.588
  644   1HZ   LYS  79          1HZ       LYS  79  10.644  11.191  -1.305
  645   2HZ   LYS  79          2HZ       LYS  79  11.934  11.907  -0.572
  646   3HZ   LYS  79          3HZ       LYS  79  11.515  10.359  -0.205
  647    H    MET  80           H        MET  80   4.423   8.375   3.814
  648    HA   MET  80           HA       MET  80   2.391   8.712   1.781
  649   1HB   MET  80          2HB       MET  80   3.008   6.504   2.574
  650   2HB   MET  80          3HB       MET  80   2.473   6.895   4.215
  651   1HG   MET  80          2HG       MET  80   0.266   6.843   3.675
  652   2HG   MET  80          3HG       MET  80   0.504   7.412   2.032
  653   1HE   MET  80          1HE       MET  80  -1.653   5.800   1.808
  654   2HE   MET  80          2HE       MET  80  -1.554   4.027   1.864
  655   3HE   MET  80          3HE       MET  80  -1.447   4.952   3.362
  656    H    ALA  81           H        ALA  81   2.145  10.984   2.290
  657    HA   ALA  81           HA       ALA  81   0.821  11.886   4.594
  658   1HB   ALA  81          1HB       ALA  81   0.890  13.121   1.801
  659   2HB   ALA  81          2HB       ALA  81   0.535  13.998   3.305
  660   3HB   ALA  81          3HB       ALA  81   2.150  13.308   3.042
  661    H    PHE  82           H        PHE  82  -0.420  10.158   2.305
  662    HA   PHE  82           HA       PHE  82  -2.828  10.647   1.261
  663   1HB   PHE  82          2HB       PHE  82  -1.869   8.468   1.099
  664   2HB   PHE  82          3HB       PHE  82  -2.031   8.181   2.823
  665    HD1  PHE  82           HD1      PHE  82  -4.439   9.332   0.121
  666    HD2  PHE  82           HD2      PHE  82  -3.604   6.518   3.292
  667    HE1  PHE  82           HE1      PHE  82  -6.615   8.248  -0.266
  668    HE2  PHE  82           HE2      PHE  82  -5.802   5.469   2.933
  669    HZ   PHE  82           HZ       PHE  82  -7.318   6.323   1.142
  670    H    GLY  83           H        GLY  83  -2.999   9.281   4.583
  671   1HA   GLY  83          1HA       GLY  83  -4.690  10.919   5.960
  672   2HA   GLY  83          2HA       GLY  83  -5.795  10.257   4.755
  673    H    GLY  84           H        GLY  84  -6.290   7.997   4.790
  674   1HA   GLY  84          1HA       GLY  84  -5.412   5.801   5.948
  675   2HA   GLY  84          2HA       GLY  84  -5.818   6.682   7.416
  676    H    LEU  85           H        LEU  85  -7.047   4.553   5.078
  677    HA   LEU  85           HA       LEU  85  -9.872   5.390   5.256
  678   1HB   LEU  85          2HB       LEU  85  -8.532   2.939   4.049
  679   2HB   LEU  85          3HB       LEU  85 -10.254   3.290   3.960
  680    HG   LEU  85           HG       LEU  85  -8.018   4.898   2.703
  681   1HD1  LEU  85          1HD1      LEU  85 -10.262   3.260   1.442
  682   2HD1  LEU  85          2HD1      LEU  85  -8.933   4.094   0.600
  683   3HD1  LEU  85          3HD1      LEU  85  -8.580   2.714   1.642
  684   1HD2  LEU  85          1HD2      LEU  85  -9.798   6.464   3.308
  685   2HD2  LEU  85          2HD2      LEU  85  -9.849   6.176   1.569
  686   3HD2  LEU  85          3HD2      LEU  85 -11.030   5.363   2.629
  687    H    LYS  86           H        LYS  86  -9.749   5.325   7.648
  688    HA   LYS  86           HA       LYS  86  -9.398   3.189   9.273
  689   1HB   LYS  86          2HB       LYS  86 -11.642   5.244   9.462
  690   2HB   LYS  86          3HB       LYS  86 -11.379   4.066  10.734
  691   1HG   LYS  86          2HG       LYS  86  -9.404   6.178   9.817
  692   2HG   LYS  86          3HG       LYS  86 -10.339   6.173  11.309
  693   1HD   LYS  86          2HD       LYS  86  -8.070   4.304  10.561
  694   2HD   LYS  86          3HD       LYS  86  -8.066   5.566  11.769
  695   1HE   LYS  86          2HE       LYS  86  -8.295   3.795  13.149
  696   2HE   LYS  86          3HE       LYS  86 -10.004   4.135  12.887
  697   1HZ   LYS  86          1HZ       LYS  86  -8.424   2.107  11.355
  698   2HZ   LYS  86          2HZ       LYS  86  -9.337   1.737  12.649
  699   3HZ   LYS  86          3HZ       LYS  86 -10.036   2.293  11.264
  700    H    LYS  87           H        LYS  87 -12.188   3.367   7.273
  701    HA   LYS  87           HA       LYS  87 -13.874   1.261   8.264
  702   1HB   LYS  87          2HB       LYS  87 -13.260   2.288   5.488
  703   2HB   LYS  87          3HB       LYS  87 -14.518   1.098   5.826
  704   1HG   LYS  87          2HG       LYS  87 -15.817   2.823   7.058
  705   2HG   LYS  87          3HG       LYS  87 -14.532   4.027   6.701
  706   1HD   LYS  87          2HD       LYS  87 -14.697   3.447   4.293
  707   2HD   LYS  87          3HD       LYS  87 -15.990   2.294   4.649
  708   1HE   LYS  87          2HE       LYS  87 -17.452   4.241   5.248
  709   2HE   LYS  87          3HE       LYS  87 -16.118   5.311   4.756
  710   1HZ   LYS  87          1HZ       LYS  87 -17.585   3.367   3.067
  711   2HZ   LYS  87          2HZ       LYS  87 -17.356   4.970   2.761
  712   3HZ   LYS  87          3HZ       LYS  87 -16.129   3.843   2.629
  713    H    GLU  88           H        GLU  88 -12.980  -0.745   8.738
  714    HA   GLU  88           HA       GLU  88 -11.075  -2.205   7.313
  715   1HB   GLU  88          2HB       GLU  88 -12.255  -2.733   9.509
  716   2HB   GLU  88          3HB       GLU  88 -13.594  -3.365   8.560
  717   1HG   GLU  88          2HG       GLU  88 -12.059  -5.132   9.380
  718   2HG   GLU  88          3HG       GLU  88 -12.170  -5.103   7.620
  719    H    LYS  89           H        LYS  89 -14.600  -2.291   6.554
  720    HA   LYS  89           HA       LYS  89 -14.450  -4.044   4.444
  721   1HB   LYS  89          2HB       LYS  89 -16.386  -1.731   4.317
  722   2HB   LYS  89          3HB       LYS  89 -16.557  -3.422   3.819
  723   1HG   LYS  89          2HG       LYS  89 -16.130  -3.778   6.446
  724   2HG   LYS  89          3HG       LYS  89 -16.852  -2.183   6.529
  725   1HD   LYS  89          2HD       LYS  89 -18.122  -4.679   5.291
  726   2HD   LYS  89          3HD       LYS  89 -18.503  -3.973   6.853
  727   1HE   LYS  89          2HE       LYS  89 -20.246  -3.218   5.514
  728   2HE   LYS  89          3HE       LYS  89 -19.163  -1.826   5.625
  729   1HZ   LYS  89          1HZ       LYS  89 -19.373  -3.713   3.338
  730   2HZ   LYS  89          2HZ       LYS  89 -19.889  -2.157   3.346
  731   3HZ   LYS  89          3HZ       LYS  89 -18.284  -2.488   3.416
  732    H    ASP  90           H        ASP  90 -13.997  -0.573   4.132
  733    HA   ASP  90           HA       ASP  90 -13.755  -0.387   1.241
  734   1HB   ASP  90          2HB       ASP  90 -12.937   1.246   3.610
  735   2HB   ASP  90          3HB       ASP  90 -11.932   1.430   2.215
  736    H    ARG  91           H        ARG  91 -11.349  -0.835   3.831
  737    HA   ARG  91           HA       ARG  91  -9.083  -1.369   2.143
  738   1HB   ARG  91          2HB       ARG  91  -9.580  -1.950   5.093
  739   2HB   ARG  91          3HB       ARG  91  -8.044  -2.220   4.264
  740   1HG   ARG  91          2HG       ARG  91  -7.962   0.176   3.617
  741   2HG   ARG  91          3HG       ARG  91  -9.440   0.481   4.537
  742   1HD   ARG  91          2HD       ARG  91  -6.912  -0.702   5.741
  743   2HD   ARG  91          3HD       ARG  91  -7.220   1.030   5.667
  744    HE   ARG  91           HE       ARG  91  -9.085   0.831   7.110
  745   1HH1  ARG  91          1HH2      ARG  91  -7.034  -2.005   7.387
  746   2HH1  ARG  91          2HH2      ARG  91  -8.274  -2.858   8.316
  747   1HH2  ARG  91          1HH1      ARG  91 -10.136  -0.134   8.955
  748   2HH2  ARG  91          2HH1      ARG  91  -9.608  -1.806   9.286
  749    H    ASN  92           H        ASN  92 -11.517  -3.599   3.431
  750    HA   ASN  92           HA       ASN  92 -10.037  -5.982   2.828
  751   1HB   ASN  92          2HB       ASN  92 -13.060  -5.572   2.956
  752   2HB   ASN  92          3HB       ASN  92 -12.243  -7.127   2.882
  753   1HD2  ASN  92          2HD2      ASN  92 -10.071  -6.514   4.695
  754   2HD2  ASN  92          1HD2      ASN  92 -10.755  -6.154   6.247
  755    H    ASP  93           H        ASP  93 -12.590  -4.368   0.882
  756    HA   ASP  93           HA       ASP  93 -12.201  -5.968  -1.491
  757   1HB   ASP  93          2HB       ASP  93 -13.141  -3.122  -1.017
  758   2HB   ASP  93          3HB       ASP  93 -12.976  -3.792  -2.632
  759    H    LEU  94           H        LEU  94 -10.598  -2.962  -0.372
  760    HA   LEU  94           HA       LEU  94  -8.840  -2.569  -2.519
  761   1HB   LEU  94          2HB       LEU  94  -9.239  -1.381  -0.038
  762   2HB   LEU  94          3HB       LEU  94  -7.638  -2.067   0.151
  763    HG   LEU  94           HG       LEU  94  -7.123  -0.907  -2.151
  764   1HD1  LEU  94          1HD1      LEU  94  -9.627   0.594  -1.230
  765   2HD1  LEU  94          2HD1      LEU  94  -8.544   1.090  -2.551
  766   3HD1  LEU  94          3HD1      LEU  94  -9.497  -0.394  -2.699
  767   1HD2  LEU  94          1HD2      LEU  94  -6.166  -0.139  -0.046
  768   2HD2  LEU  94          2HD2      LEU  94  -6.706   1.250  -1.001
  769   3HD2  LEU  94          3HD2      LEU  94  -7.683   0.701   0.379
  770    H    ILE  95           H        ILE  95  -8.113  -4.466   0.432
  771    HA   ILE  95           HA       ILE  95  -5.578  -5.451  -0.537
  772    HB   ILE  95           HB       ILE  95  -7.449  -6.408   1.643
  773   1HG1  ILE  95          2HG1      ILE  95  -6.286  -4.230   2.023
  774   2HG1  ILE  95          3HG1      ILE  95  -5.885  -5.473   3.192
  775   1HG2  ILE  95          1HG2      ILE  95  -4.712  -7.549   0.945
  776   2HG2  ILE  95          2HG2      ILE  95  -5.559  -7.811   2.486
  777   3HG2  ILE  95          3HG2      ILE  95  -6.255  -8.410   0.987
  778   1HD1  ILE  95          1HD1      ILE  95  -4.101  -4.593   0.876
  779   2HD1  ILE  95          2HD1      ILE  95  -3.932  -4.127   2.576
  780   3HD1  ILE  95          3HD1      ILE  95  -3.684  -5.811   2.107
  781    H    THR  96           H        THR  96  -8.871  -6.806  -0.795
  782    HA   THR  96           HA       THR  96  -8.098  -9.299  -2.008
  783    HB   THR  96           HB       THR  96 -10.660  -7.789  -2.662
  784    HG1  THR  96           1HG      THR  96 -10.378  -7.987  -0.419
  785   1HG2  THR  96          1HG2      THR  96  -9.943 -10.760  -2.561
  786   2HG2  THR  96          2HG2      THR  96 -11.570 -10.119  -2.821
  787   3HG2  THR  96          3HG2      THR  96 -10.312  -9.826  -4.029
  788    H    TYR  97           H        TYR  97  -8.625  -6.105  -3.433
  789    HA   TYR  97           HA       TYR  97  -8.010  -6.840  -6.197
  790   1HB   TYR  97          2HB       TYR  97  -9.119  -4.809  -5.934
  791   2HB   TYR  97          3HB       TYR  97  -8.162  -4.328  -4.567
  792    HD1  TYR  97           HD1      TYR  97  -6.586  -2.688  -4.779
  793    HD2  TYR  97           HD2      TYR  97  -7.552  -5.105  -8.217
  794    HE1  TYR  97           HE1      TYR  97  -5.035  -1.353  -6.160
  795    HE2  TYR  97           HE2      TYR  97  -6.038  -3.690  -9.623
  796    HH   TYR  97           HH       TYR  97  -4.297  -0.892  -8.269
  797    H    LEU  98           H        LEU  98  -5.988  -5.178  -3.695
  798    HA   LEU  98           HA       LEU  98  -3.779  -5.011  -5.377
  799   1HB   LEU  98          2HB       LEU  98  -4.536  -4.409  -2.594
  800   2HB   LEU  98          3HB       LEU  98  -2.903  -4.958  -2.651
  801    HG   LEU  98           HG       LEU  98  -3.905  -2.827  -4.573
  802   1HD1  LEU  98          1HD1      LEU  98  -2.698  -2.353  -1.826
  803   2HD1  LEU  98          2HD1      LEU  98  -3.102  -1.122  -3.051
  804   3HD1  LEU  98          3HD1      LEU  98  -4.395  -2.059  -2.285
  805   1HD2  LEU  98          1HD2      LEU  98  -1.689  -3.894  -5.043
  806   2HD2  LEU  98          2HD2      LEU  98  -1.556  -2.169  -4.650
  807   3HD2  LEU  98          3HD2      LEU  98  -1.134  -3.403  -3.436
  808    H    LYS  99           H        LYS  99  -4.565  -7.517  -3.044
  809    HA   LYS  99           HA       LYS  99  -2.263  -9.188  -3.243
  810   1HB   LYS  99          2HB       LYS  99  -4.131  -9.506  -1.680
  811   2HB   LYS  99          3HB       LYS  99  -5.230  -9.874  -3.017
  812   1HG   LYS  99          2HG       LYS  99  -3.958 -11.924  -3.525
  813   2HG   LYS  99          3HG       LYS  99  -2.774 -11.513  -2.254
  814   1HD   LYS  99          2HD       LYS  99  -4.617 -11.565  -0.574
  815   2HD   LYS  99          3HD       LYS  99  -5.761 -11.993  -1.831
  816   1HE   LYS  99          2HE       LYS  99  -5.177 -13.948  -0.532
  817   2HE   LYS  99          3HE       LYS  99  -4.614 -14.139  -2.215
  818   1HZ   LYS  99          1HZ       LYS  99  -2.887 -13.381   0.088
  819   2HZ   LYS  99          2HZ       LYS  99  -2.952 -14.858  -0.624
  820   3HZ   LYS  99          3HZ       LYS  99  -2.389 -13.627  -1.477
  821    H    LYS 100           H        LYS 100  -5.194  -9.102  -5.327
  822    HA   LYS 100           HA       LYS 100  -3.730 -10.749  -7.283
  823   1HB   LYS 100          2HB       LYS 100  -6.262 -10.950  -6.176
  824   2HB   LYS 100          3HB       LYS 100  -6.589 -10.381  -7.831
  825   1HG   LYS 100          2HG       LYS 100  -5.001 -12.050  -8.706
  826   2HG   LYS 100          3HG       LYS 100  -4.589 -12.508  -7.022
  827   1HD   LYS 100          2HD       LYS 100  -6.611 -13.794  -6.815
  828   2HD   LYS 100          3HD       LYS 100  -7.004 -13.439  -8.548
  829   1HE   LYS 100          2HE       LYS 100  -4.735 -14.184  -9.238
  830   2HE   LYS 100          3HE       LYS 100  -4.222 -14.283  -7.585
  831   1HZ   LYS 100          1HZ       LYS 100  -6.058 -16.186  -8.823
  832   2HZ   LYS 100          2HZ       LYS 100  -4.460 -16.353  -8.400
  833   3HZ   LYS 100          3HZ       LYS 100  -5.575 -16.169  -7.218
  834    H    ALA 101           H        ALA 101  -3.544  -8.108  -6.920
  835    HA   ALA 101           HA       ALA 101  -2.811  -7.652  -9.814
  836   1HB   ALA 101          1HB       ALA 101  -2.506  -5.670  -7.545
  837   2HB   ALA 101          2HB       ALA 101  -2.182  -5.381  -9.275
  838   3HB   ALA 101          3HB       ALA 101  -3.842  -5.687  -8.720
  839    H    THR 102           H        THR 102  -1.564  -9.183  -7.134
  840    HA   THR 102           HA       THR 102   1.257  -8.936  -8.102
  841    HB   THR 102           HB       THR 102   2.139  -9.175  -5.968
  842    HG1  THR 102           1HG      THR 102  -0.468  -9.647  -5.169
  843   1HG2  THR 102          1HG2      THR 102   0.047  -7.006  -5.721
  844   2HG2  THR 102          2HG2      THR 102   1.710  -6.998  -5.146
  845   3HG2  THR 102          3HG2      THR 102   1.332  -6.932  -6.896
  846    H    GLU 103           H        GLU 103  -1.344 -11.172  -7.232
  847    HA   GLU 103           HA       GLU 103   0.224 -13.565  -7.926
  848   1HB   GLU 103          2HB       GLU 103  -0.700 -14.815  -6.029
  849   2HB   GLU 103          3HB       GLU 103   0.322 -13.495  -5.477
  850   1HG   GLU 103          2HG       GLU 103  -1.538 -12.198  -4.765
  851   2HG   GLU 103          3HG       GLU 103  -2.706 -13.187  -5.641
  852    HHA  HEC 104           HHA      HEC 104   5.212   3.013   0.981
  853    HHB  HEC 104           HHB      HEC 104  -0.553   0.374  -0.245
  854    HHC  HEC 104           HHC      HEC 104  -2.986   6.278  -1.395
  855    HHD  HEC 104           HHD      HEC 104   2.939   8.746  -0.931
  856   1HMA  HEC 104          1HMA      HEC 104   1.576  -1.273   1.500
  857   2HMA  HEC 104          2HMA      HEC 104   0.969  -1.238  -0.171
  858   3HMA  HEC 104          3HMA      HEC 104   2.675  -1.569   0.133
  859   1HAA  HEC 104          1HAA      HEC 104   4.353  -0.666   1.483
  860   2HAA  HEC 104          2HAA      HEC 104   5.012   0.885   1.989
  861   1HBA  HEC 104          1HBA      HEC 104   5.897   1.210  -0.351
  862   2HBA  HEC 104          2HBA      HEC 104   5.297  -0.391  -0.760
  863   1HMB  HEC 104          1HMB      HEC 104  -3.811   0.779  -0.178
  864   2HMB  HEC 104          2HMB      HEC 104  -3.845   1.032  -1.935
  865   3HMB  HEC 104          3HMB      HEC 104  -2.499   0.169  -1.192
  866    HAB  HEC 104           HAB      HEC 104  -4.540   5.015  -1.196
  867   1HBB  HEC 104          1HBB      HEC 104  -4.752   4.032   0.991
  868   2HBB  HEC 104          2HBB      HEC 104  -6.268   3.951   0.066
  869   3HBB  HEC 104          3HBB      HEC 104  -5.269   2.499   0.279
  870   1HMC  HEC 104          1HMC      HEC 104  -3.177   8.469  -1.520
  871   2HMC  HEC 104          2HMC      HEC 104  -2.244   9.905  -1.929
  872   3HMC  HEC 104          3HMC      HEC 104  -2.382   8.565  -3.090
  873    HAC  HEC 104           HAC      HEC 104   1.753   9.949  -2.154
  874   1HBC  HEC 104          1HBC      HEC 104   0.829  11.018  -0.178
  875   2HBC  HEC 104          2HBC      HEC 104   0.790  12.093  -1.591
  876   3HBC  HEC 104          3HBC      HEC 104  -0.702  11.311  -1.029
  877   1HMD  HEC 104          1HMD      HEC 104   6.401   8.190   0.357
  878   2HMD  HEC 104          2HMD      HEC 104   6.124   7.896  -1.348
  879   3HMD  HEC 104          3HMD      HEC 104   5.060   9.011  -0.452
  880   1HAD  HEC 104          1HAD      HEC 104   7.345   6.131   0.448
  881   2HAD  HEC 104          2HAD      HEC 104   6.945   4.434   0.448
  882   1HBD  HEC 104          1HBD      HEC 104   7.107   4.346   2.689
  883   2HBD  HEC 104          2HBD      HEC 104   5.833   5.534   2.853
  Start of MODEL   15
    1   1H    THR  -5          H1        THR  -5  -7.742 -10.756  14.274
    2   2H    THR  -5          H2        THR  -5  -8.482  -9.542  13.422
    3   3H    THR  -5          H3        THR  -5  -6.950  -9.337  14.033
    4    HA   THR  -5           HA       THR  -5  -6.809  -9.772  11.672
    5    HB   THR  -5           HB       THR  -5  -5.497 -12.006  11.872
    6    HG1  THR  -5           1HG      THR  -5  -5.989 -12.956  13.676
    7   1HG2  THR  -5          1HG2      THR  -5  -4.738  -9.685  13.715
    8   2HG2  THR  -5          2HG2      THR  -5  -3.651 -10.900  13.020
    9   3HG2  THR  -5          3HG2      THR  -5  -4.452  -9.737  11.958
   10    H    GLU  -4           H        GLU  -4  -8.262 -10.309  10.138
   11    HA   GLU  -4           HA       GLU  -4  -9.497 -12.751   9.819
   12   1HB   GLU  -4          2HB       GLU  -4 -10.812 -12.162  11.925
   13   2HB   GLU  -4          3HB       GLU  -4 -11.477 -10.780  11.044
   14   1HG   GLU  -4          2HG       GLU  -4 -12.231 -12.435   9.241
   15   2HG   GLU  -4          3HG       GLU  -4 -11.643 -13.738  10.271
   16    H    PHE  -3           H        PHE  -3  -8.924 -12.278   7.759
   17    HA   PHE  -3           HA       PHE  -3  -9.854  -9.995   6.239
   18   1HB   PHE  -3          2HB       PHE  -3  -7.894 -11.342   5.622
   19   2HB   PHE  -3          3HB       PHE  -3  -8.928 -12.730   5.327
   20    HD1  PHE  -3           HD1      PHE  -3  -9.253 -13.180   3.066
   21    HD2  PHE  -3           HD2      PHE  -3  -8.818  -9.066   4.294
   22    HE1  PHE  -3           HE1      PHE  -3  -9.379 -12.455   0.697
   23    HE2  PHE  -3           HE2      PHE  -3  -8.986  -8.356   1.919
   24    HZ   PHE  -3           HZ       PHE  -3  -9.219 -10.059   0.128
   25    H    LYS  -2           H        LYS  -2 -11.993  -9.965   7.111
   26    HA   LYS  -2           HA       LYS  -2 -14.166 -11.463   5.824
   27   1HB   LYS  -2          2HB       LYS  -2 -13.891  -9.118   7.542
   28   2HB   LYS  -2          3HB       LYS  -2 -14.961  -8.742   6.220
   29   1HG   LYS  -2          2HG       LYS  -2 -16.417  -9.451   7.804
   30   2HG   LYS  -2          3HG       LYS  -2 -16.271 -10.866   6.764
   31   1HD   LYS  -2          2HD       LYS  -2 -14.832 -11.974   8.413
   32   2HD   LYS  -2          3HD       LYS  -2 -14.725 -10.479   9.368
   33   1HE   LYS  -2          2HE       LYS  -2 -17.202 -10.530   9.699
   34   2HE   LYS  -2          3HE       LYS  -2 -17.266 -12.093   8.857
   35   1HZ   LYS  -2          1HZ       LYS  -2 -15.606 -11.628  11.277
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.122 -12.317  11.353
   37   3HZ   LYS  -2          3HZ       LYS  -2 -15.814 -13.001  10.596
   38    H    ALA  -1           H        ALA  -1 -13.165 -11.761   3.900
   39    HA   ALA  -1           HA       ALA  -1 -11.975 -10.064   2.165
   40   1HB   ALA  -1          1HB       ALA  -1 -13.756 -12.373   1.295
   41   2HB   ALA  -1          2HB       ALA  -1 -12.382 -11.698   0.394
   42   3HB   ALA  -1          3HB       ALA  -1 -12.102 -12.528   1.936
   43    H    GLY   1           H        GLY   1 -12.387  -9.052   0.175
   44   1HA   GLY   1          1HA       GLY   1 -15.120  -7.936  -0.298
   45   2HA   GLY   1          2HA       GLY   1 -13.607  -7.068  -0.611
   46    H    SER   2           H        SER   2 -13.849  -6.862  -2.849
   47    HA   SER   2           HA       SER   2 -13.392  -9.435  -4.348
   48   1HB   SER   2          2HB       SER   2 -15.721  -8.945  -4.765
   49   2HB   SER   2          3HB       SER   2 -15.302  -7.287  -5.252
   50    HG   SER   2           HG       SER   2 -15.471  -9.246  -6.853
   51    H    ALA   3           H        ALA   3 -11.826  -9.394  -5.843
   52    HA   ALA   3           HA       ALA   3  -9.977  -7.311  -6.018
   53   1HB   ALA   3          1HB       ALA   3 -10.596  -9.460  -8.093
   54   2HB   ALA   3          2HB       ALA   3  -9.104  -8.499  -8.001
   55   3HB   ALA   3          3HB       ALA   3  -9.502  -9.628  -6.698
   56    H    LYS   4           H        LYS   4 -12.952  -7.681  -7.892
   57    HA   LYS   4           HA       LYS   4 -12.224  -5.369  -9.584
   58   1HB   LYS   4          2HB       LYS   4 -13.660  -7.613 -10.214
   59   2HB   LYS   4          3HB       LYS   4 -14.971  -6.513  -9.797
   60   1HG   LYS   4          2HG       LYS   4 -14.643  -6.256 -12.130
   61   2HG   LYS   4          3HG       LYS   4 -13.889  -4.825 -11.423
   62   1HD   LYS   4          2HD       LYS   4 -11.651  -6.065 -11.555
   63   2HD   LYS   4          3HD       LYS   4 -12.478  -7.344 -12.439
   64   1HE   LYS   4          2HE       LYS   4 -12.240  -4.412 -13.269
   65   2HE   LYS   4          3HE       LYS   4 -11.270  -5.741 -13.906
   66   1HZ   LYS   4          1HZ       LYS   4 -14.209  -5.482 -14.213
   67   2HZ   LYS   4          2HZ       LYS   4 -13.100  -5.235 -15.396
   68   3HZ   LYS   4          3HZ       LYS   4 -13.315  -6.739 -14.778
   69    H    LYS   5           H        LYS   5 -13.619  -5.643  -6.657
   70    HA   LYS   5           HA       LYS   5 -15.104  -3.023  -6.770
   71   1HB   LYS   5          2HB       LYS   5 -14.824  -5.121  -4.581
   72   2HB   LYS   5          3HB       LYS   5 -15.489  -3.504  -4.288
   73   1HG   LYS   5          2HG       LYS   5 -17.306  -3.863  -5.840
   74   2HG   LYS   5          3HG       LYS   5 -16.579  -5.351  -6.438
   75   1HD   LYS   5          2HD       LYS   5 -18.389  -6.000  -5.138
   76   2HD   LYS   5          3HD       LYS   5 -16.973  -6.427  -4.198
   77   1HE   LYS   5          2HE       LYS   5 -18.488  -3.837  -3.686
   78   2HE   LYS   5          3HE       LYS   5 -19.060  -5.390  -3.065
   79   1HZ   LYS   5          1HZ       LYS   5 -16.700  -3.890  -2.191
   80   2HZ   LYS   5          2HZ       LYS   5 -17.690  -4.813  -1.324
   81   3HZ   LYS   5          3HZ       LYS   5 -16.471  -5.424  -2.262
   82    H    GLY   6           H        GLY   6 -12.408  -4.585  -5.003
   83   1HA   GLY   6          1HA       GLY   6 -11.084  -2.247  -4.087
   84   2HA   GLY   6          2HA       GLY   6 -10.306  -3.767  -4.516
   85    H    ALA   7           H        ALA   7 -11.072  -3.673  -7.369
   86    HA   ALA   7           HA       ALA   7  -8.955  -2.183  -8.453
   87   1HB   ALA   7          1HB       ALA   7 -11.516  -3.081  -9.849
   88   2HB   ALA   7          2HB       ALA   7 -10.022  -2.559 -10.652
   89   3HB   ALA   7          3HB       ALA   7 -10.013  -4.023  -9.675
   90    H    THR   8           H        THR   8 -12.465  -1.134  -8.385
   91    HA   THR   8           HA       THR   8 -11.876   1.375  -9.733
   92    HB   THR   8           HB       THR   8 -14.161   2.025  -8.863
   93    HG1  THR   8           1HG      THR   8 -15.348   0.295  -7.954
   94   1HG2  THR   8          1HG2      THR   8 -14.032  -0.667 -10.296
   95   2HG2  THR   8          2HG2      THR   8 -15.405   0.460 -10.287
   96   3HG2  THR   8          3HG2      THR   8 -13.890   0.926 -11.080
   97    H    LEU   9           H        LEU   9 -11.842   0.295  -6.410
   98    HA   LEU   9           HA       LEU   9 -11.702   2.904  -5.178
   99   1HB   LEU   9          2HB       LEU   9 -11.037   0.115  -4.214
  100   2HB   LEU   9          3HB       LEU   9 -10.744   1.549  -3.222
  101    HG   LEU   9           HG       LEU   9 -13.432   1.015  -4.445
  102   1HD1  LEU   9          1HD1      LEU   9 -12.430   0.149  -1.676
  103   2HD1  LEU   9          2HD1      LEU   9 -14.102   0.010  -2.254
  104   3HD1  LEU   9          3HD1      LEU   9 -12.831  -0.935  -3.032
  105   1HD2  LEU   9          1HD2      LEU   9 -13.100   3.297  -3.587
  106   2HD2  LEU   9          2HD2      LEU   9 -14.219   2.406  -2.534
  107   3HD2  LEU   9          3HD2      LEU   9 -12.521   2.616  -2.034
  108    H    PHE  10           H        PHE  10  -9.192   0.377  -5.591
  109    HA   PHE  10           HA       PHE  10  -6.933   1.944  -4.948
  110   1HB   PHE  10          2HB       PHE  10  -6.771  -0.461  -5.233
  111   2HB   PHE  10          3HB       PHE  10  -7.208  -0.341  -6.936
  112    HD1  PHE  10           HD1      PHE  10  -5.616   0.461  -8.624
  113    HD2  PHE  10           HD2      PHE  10  -4.499   0.204  -4.467
  114    HE1  PHE  10           HE1      PHE  10  -3.254   0.857  -9.228
  115    HE2  PHE  10           HE2      PHE  10  -2.143   0.659  -5.081
  116    HZ   PHE  10           HZ       PHE  10  -1.508   1.012  -7.451
  117    H    LYS  11           H        LYS  11  -8.533   1.631  -8.113
  118    HA   LYS  11           HA       LYS  11  -6.485   3.231  -9.440
  119   1HB   LYS  11          2HB       LYS  11  -7.958   1.336 -10.374
  120   2HB   LYS  11          3HB       LYS  11  -9.180   2.575 -10.669
  121   1HG   LYS  11          2HG       LYS  11  -7.836   3.606 -12.341
  122   2HG   LYS  11          3HG       LYS  11  -6.346   2.970 -11.648
  123   1HD   LYS  11          2HD       LYS  11  -6.983   0.656 -12.367
  124   2HD   LYS  11          3HD       LYS  11  -8.426   1.336 -13.121
  125   1HE   LYS  11          2HE       LYS  11  -6.920   1.032 -14.897
  126   2HE   LYS  11          3HE       LYS  11  -6.882   2.765 -14.561
  127   1HZ   LYS  11          1HZ       LYS  11  -4.776   0.770 -13.745
  128   2HZ   LYS  11          2HZ       LYS  11  -4.635   1.865 -14.875
  129   3HZ   LYS  11          3HZ       LYS  11  -4.771   2.333 -13.309
  130    H    THR  12           H        THR  12  -9.050   4.209  -7.521
  131    HA   THR  12           HA       THR  12  -8.746   7.049  -8.436
  132    HB   THR  12           HB       THR  12 -10.991   7.490  -7.588
  133    HG1  THR  12           1HG      THR  12 -11.443   4.715  -7.410
  134   1HG2  THR  12          1HG2      THR  12 -11.053   5.185  -9.582
  135   2HG2  THR  12          2HG2      THR  12 -12.327   6.387  -9.295
  136   3HG2  THR  12          3HG2      THR  12 -10.771   6.895  -9.979
  137    H    ARG  13           H        ARG  13  -8.164   4.976  -5.828
  138    HA   ARG  13           HA       ARG  13  -7.951   7.289  -3.958
  139   1HB   ARG  13          2HB       ARG  13  -8.001   4.304  -3.388
  140   2HB   ARG  13          3HB       ARG  13  -8.003   5.554  -2.169
  141   1HG   ARG  13          2HG       ARG  13 -10.296   5.326  -4.172
  142   2HG   ARG  13          3HG       ARG  13 -10.160   4.293  -2.756
  143   1HD   ARG  13          2HD       ARG  13  -9.956   6.535  -1.430
  144   2HD   ARG  13          3HD       ARG  13 -10.668   7.258  -2.879
  145    HE   ARG  13           HE       ARG  13 -12.538   5.551  -2.621
  146   1HH1  ARG  13          1HH2      ARG  13 -10.936   6.545   0.357
  147   2HH1  ARG  13          2HH2      ARG  13 -11.958   5.418   1.259
  148   1HH2  ARG  13          1HH1      ARG  13 -13.584   4.107  -1.281
  149   2HH2  ARG  13          2HH1      ARG  13 -13.313   4.187   0.405
  150    H    CYS  14           H        CYS  14  -5.944   4.814  -5.455
  151    HA   CYS  14           HA       CYS  14  -3.640   5.551  -3.671
  152   1HB   CYS  14          2HB       CYS  14  -4.172   2.901  -4.994
  153   2HB   CYS  14          3HB       CYS  14  -2.908   3.259  -3.826
  154    H    LEU  15           H        LEU  15  -4.552   4.393  -6.970
  155    HA   LEU  15           HA       LEU  15  -1.992   4.541  -8.070
  156   1HB   LEU  15          2HB       LEU  15  -4.028   3.396  -9.035
  157   2HB   LEU  15          3HB       LEU  15  -4.618   4.984  -9.530
  158    HG   LEU  15           HG       LEU  15  -2.476   5.238 -10.903
  159   1HD1  LEU  15          1HD1      LEU  15  -2.229   2.218 -10.595
  160   2HD1  LEU  15          2HD1      LEU  15  -1.161   3.330 -11.469
  161   3HD1  LEU  15          3HD1      LEU  15  -1.216   3.356  -9.703
  162   1HD2  LEU  15          1HD2      LEU  15  -4.621   4.585 -11.919
  163   2HD2  LEU  15          2HD2      LEU  15  -3.206   3.892 -12.744
  164   3HD2  LEU  15          3HD2      LEU  15  -4.177   2.870 -11.643
  165    H    GLN  16           H        GLN  16  -4.043   7.189  -7.264
  166    HA   GLN  16           HA       GLN  16  -2.930   9.279  -8.849
  167   1HB   GLN  16          2HB       GLN  16  -3.640  10.763  -7.039
  168   2HB   GLN  16          3HB       GLN  16  -4.903   9.616  -7.480
  169   1HG   GLN  16          2HG       GLN  16  -4.480   8.277  -5.477
  170   2HG   GLN  16          3HG       GLN  16  -3.049   9.236  -5.084
  171   1HE2  GLN  16          2HE2      GLN  16  -3.309  11.271  -3.966
  172   2HE2  GLN  16          1HE2      GLN  16  -4.981  11.777  -3.588
  173    H    CYS  17           H        CYS  17  -1.383   7.400  -6.386
  174    HA   CYS  17           HA       CYS  17   0.988   9.229  -6.458
  175   1HB   CYS  17          2HB       CYS  17  -0.159   7.688  -4.118
  176   2HB   CYS  17          3HB       CYS  17   1.470   8.339  -4.145
  177    H    HIS  18           H        HIS  18  -0.137   5.864  -6.085
  178    HA   HIS  18           HA       HIS  18   2.633   4.800  -6.399
  179   1HB   HIS  18          1HB       HIS  18  -0.074   3.635  -5.622
  180   2HB   HIS  18          2HB       HIS  18   1.279   2.593  -6.027
  181    HD1  HIS  18           HD1      HIS  18   3.516   2.804  -4.466
  182    HD2  HIS  18           HD2      HIS  18   0.005   4.761  -3.200
  183    HE1  HIS  18           HE1      HIS  18   3.861   3.422  -2.014
  184    H    THR  19           H        THR  19   2.855   2.817  -7.710
  185    HA   THR  19           HA       THR  19   0.824   2.449  -9.833
  186    HB   THR  19           HB       THR  19   2.470   1.499 -11.345
  187    HG1  THR  19           1HG      THR  19   4.598   2.881 -10.504
  188   1HG2  THR  19          1HG2      THR  19   2.992   4.428 -10.691
  189   2HG2  THR  19          2HG2      THR  19   3.305   3.617 -12.239
  190   3HG2  THR  19          3HG2      THR  19   1.640   3.810 -11.662
  191    H    VAL  20           H        VAL  20   1.088   0.052 -10.606
  192    HA   VAL  20           HA       VAL  20   1.941  -1.840  -8.585
  193    HB   VAL  20           HB       VAL  20  -0.256  -1.097  -7.651
  194   1HG1  VAL  20          1HG1      VAL  20  -1.530  -2.577  -9.985
  195   2HG1  VAL  20          2HG1      VAL  20  -2.335  -1.825  -8.611
  196   3HG1  VAL  20          3HG1      VAL  20  -1.514  -0.803  -9.798
  197   1HG2  VAL  20          1HG2      VAL  20   0.682  -3.272  -7.060
  198   2HG2  VAL  20          2HG2      VAL  20  -1.078  -3.343  -7.160
  199   3HG2  VAL  20          3HG2      VAL  20  -0.094  -4.018  -8.469
  200    H    GLU  21           H        GLU  21   0.156  -1.196 -11.569
  201    HA   GLU  21           HA       GLU  21   0.334  -3.793 -12.664
  202   1HB   GLU  21          2HB       GLU  21   0.174  -1.199 -14.191
  203   2HB   GLU  21          3HB       GLU  21  -0.377  -2.780 -14.729
  204   1HG   GLU  21          2HG       GLU  21  -2.164  -2.831 -13.067
  205   2HG   GLU  21          3HG       GLU  21  -1.585  -1.352 -12.307
  206    H    LYS  22           H        LYS  22   1.497  -4.366 -14.638
  207    HA   LYS  22           HA       LYS  22   4.131  -4.548 -13.532
  208   1HB   LYS  22          2HB       LYS  22   2.511  -6.374 -14.252
  209   2HB   LYS  22          3HB       LYS  22   3.058  -6.093 -15.914
  210   1HG   LYS  22          2HG       LYS  22   5.393  -6.621 -15.211
  211   2HG   LYS  22          3HG       LYS  22   4.855  -6.784 -13.531
  212   1HD   LYS  22          2HD       LYS  22   3.236  -8.604 -14.329
  213   2HD   LYS  22          3HD       LYS  22   3.995  -8.448 -15.915
  214   1HE   LYS  22          2HE       LYS  22   5.390 -10.112 -15.131
  215   2HE   LYS  22          3HE       LYS  22   6.225  -8.763 -14.349
  216   1HZ   LYS  22          1HZ       LYS  22   4.148 -10.488 -13.099
  217   2HZ   LYS  22          2HZ       LYS  22   5.745 -10.459 -12.701
  218   3HZ   LYS  22          3HZ       LYS  22   4.769  -9.178 -12.376
  219    H    GLY  23           H        GLY  23   4.725  -2.411 -14.099
  220   1HA   GLY  23          1HA       GLY  23   6.905  -1.900 -15.595
  221   2HA   GLY  23          2HA       GLY  23   5.678  -1.856 -16.862
  222    H    GLY  24           H        GLY  24   3.938  -0.745 -14.338
  223   1HA   GLY  24          1HA       GLY  24   3.964   2.018 -14.829
  224   2HA   GLY  24          2HA       GLY  24   3.476   1.243 -13.323
  225    HA   PRO  25           HA       PRO  25   8.013   2.901 -13.035
  226   1HB   PRO  25          2HB       PRO  25   8.107   5.626 -13.306
  227   2HB   PRO  25          3HB       PRO  25   8.202   4.511 -14.701
  228   1HG   PRO  25          2HG       PRO  25   5.740   5.931 -13.622
  229   2HG   PRO  25          3HG       PRO  25   6.337   5.895 -15.315
  230   1HD   PRO  25          2HD       PRO  25   4.402   4.194 -14.447
  231   2HD   PRO  25          3HD       PRO  25   5.659   3.641 -15.597
  232    H    HIS  26           H        HIS  26   8.979   4.236 -11.292
  233    HA   HIS  26           HA       HIS  26   7.507   4.480  -8.827
  234   1HB   HIS  26          2HB       HIS  26  10.143   5.702  -9.758
  235   2HB   HIS  26          3HB       HIS  26   9.560   5.725  -8.100
  236    HD1  HIS  26           HD1      HIS  26   8.583   2.420  -8.832
  237    HD2  HIS  26           HD2      HIS  26  12.300   4.345  -8.378
  238    HE1  HIS  26           HE1      HIS  26  10.257   0.627  -8.126
  239    H    LYS  27           H        LYS  27   6.039   5.987  -8.280
  240    HA   LYS  27           HA       LYS  27   6.199   8.727  -9.400
  241   1HB   LYS  27          2HB       LYS  27   3.931   6.746  -9.120
  242   2HB   LYS  27          3HB       LYS  27   3.540   8.430  -8.890
  243   1HG   LYS  27          2HG       LYS  27   5.021   7.467 -11.361
  244   2HG   LYS  27          3HG       LYS  27   3.256   7.541 -11.242
  245   1HD   LYS  27          2HD       LYS  27   3.341   9.949 -10.737
  246   2HD   LYS  27          3HD       LYS  27   5.115   9.931 -10.838
  247   1HE   LYS  27          2HE       LYS  27   5.002   9.241 -13.195
  248   2HE   LYS  27          3HE       LYS  27   3.232   9.197 -13.117
  249   1HZ   LYS  27          1HZ       LYS  27   4.896  11.617 -12.679
  250   2HZ   LYS  27          2HZ       LYS  27   4.023  11.303 -14.037
  251   3HZ   LYS  27          3HZ       LYS  27   3.256  11.570 -12.608
  252    H    VAL  28           H        VAL  28   3.943   9.280  -7.366
  253    HA   VAL  28           HA       VAL  28   5.625  10.394  -5.304
  254    HB   VAL  28           HB       VAL  28   2.645   9.954  -5.111
  255   1HG1  VAL  28          1HG1      VAL  28   4.461  12.127  -3.982
  256   2HG1  VAL  28          2HG1      VAL  28   2.692  12.069  -3.812
  257   3HG1  VAL  28          3HG1      VAL  28   3.681  10.833  -3.048
  258   1HG2  VAL  28          1HG2      VAL  28   2.954  11.036  -7.264
  259   2HG2  VAL  28          2HG2      VAL  28   2.380  12.232  -6.116
  260   3HG2  VAL  28          3HG2      VAL  28   4.103  12.199  -6.551
  261    H    GLY  29           H        GLY  29   4.152   7.294  -5.681
  262   1HA   GLY  29          1HA       GLY  29   5.905   6.385  -3.501
  263   2HA   GLY  29          2HA       GLY  29   4.266   5.725  -3.547
  264    HA   PRO  30           HA       PRO  30   7.365   3.489  -6.400
  265   1HB   PRO  30          2HB       PRO  30   7.543   1.027  -5.107
  266   2HB   PRO  30          3HB       PRO  30   8.588   2.435  -4.785
  267   1HG   PRO  30          2HG       PRO  30   6.099   1.581  -3.290
  268   2HG   PRO  30          3HG       PRO  30   7.703   2.052  -2.625
  269   1HD   PRO  30          2HD       PRO  30   5.680   3.834  -2.722
  270   2HD   PRO  30          3HD       PRO  30   7.333   4.325  -3.089
  271    H    ASN  31           H        ASN  31   7.172   1.137  -7.292
  272    HA   ASN  31           HA       ASN  31   4.424   0.625  -8.260
  273   1HB   ASN  31          2HB       ASN  31   6.402   0.478  -9.877
  274   2HB   ASN  31          3HB       ASN  31   6.923  -0.949  -8.982
  275   1HD2  ASN  31          2HD2      ASN  31   5.634  -0.497 -11.787
  276   2HD2  ASN  31          1HD2      ASN  31   4.300  -1.674 -11.752
  277    H    LEU  32           H        LEU  32   3.245  -0.284  -6.754
  278    HA   LEU  32           HA       LEU  32   4.202  -1.751  -4.504
  279   1HB   LEU  32          2HB       LEU  32   1.439  -1.475  -5.754
  280   2HB   LEU  32          3HB       LEU  32   1.724  -2.265  -4.207
  281    HG   LEU  32           HG       LEU  32   2.466   0.637  -4.770
  282   1HD1  LEU  32          1HD1      LEU  32   0.020  -0.527  -3.398
  283   2HD1  LEU  32          2HD1      LEU  32   0.454   1.194  -3.430
  284   3HD1  LEU  32          3HD1      LEU  32   0.061   0.356  -4.945
  285   1HD2  LEU  32          1HD2      LEU  32   3.740  -0.303  -2.910
  286   2HD2  LEU  32          2HD2      LEU  32   2.492   0.767  -2.267
  287   3HD2  LEU  32          3HD2      LEU  32   2.261  -0.989  -2.199
  288    H    HIS  33           H        HIS  33   3.328  -2.940  -7.670
  289    HA   HIS  33           HA       HIS  33   2.213  -5.175  -7.978
  290   1HB   HIS  33          2HB       HIS  33   4.201  -4.357  -9.326
  291   2HB   HIS  33          3HB       HIS  33   5.194  -5.429  -8.367
  292    HD1  HIS  33           HD1      HIS  33   1.639  -6.296  -9.788
  293    HD2  HIS  33           HD2      HIS  33   5.743  -7.036 -10.412
  294    HE1  HIS  33           HE1      HIS  33   1.758  -8.100 -11.525
  295    H    GLY  34           H        GLY  34   5.140  -6.319  -6.709
  296   1HA   GLY  34          1HA       GLY  34   3.638  -8.279  -5.008
  297   2HA   GLY  34          2HA       GLY  34   5.262  -8.527  -5.631
  298    H    ILE  35           H        ILE  35   3.924  -5.761  -3.692
  299    HA   ILE  35           HA       ILE  35   6.041  -5.818  -1.806
  300    HB   ILE  35           HB       ILE  35   4.342  -4.740  -0.179
  301   1HG1  ILE  35          2HG1      ILE  35   2.477  -3.581  -1.022
  302   2HG1  ILE  35          3HG1      ILE  35   2.743  -4.095  -2.667
  303   1HG2  ILE  35          1HG2      ILE  35   5.194  -3.397  -2.761
  304   2HG2  ILE  35          2HG2      ILE  35   4.704  -2.564  -1.265
  305   3HG2  ILE  35          3HG2      ILE  35   6.151  -3.575  -1.274
  306   1HD1  ILE  35          1HD1      ILE  35   1.906  -5.949  -0.411
  307   2HD1  ILE  35          2HD1      ILE  35   0.830  -5.219  -1.625
  308   3HD1  ILE  35          3HD1      ILE  35   2.047  -6.366  -2.148
  309    H    PHE  36           H        PHE  36   3.195  -7.885  -1.826
  310    HA   PHE  36           HA       PHE  36   3.177  -8.618   0.883
  311   1HB   PHE  36          2HB       PHE  36   2.197 -10.048  -1.599
  312   2HB   PHE  36          3HB       PHE  36   1.976 -10.697   0.022
  313    HD1  PHE  36           HD1      PHE  36   0.389  -8.722  -2.442
  314    HD2  PHE  36           HD2      PHE  36   1.005  -8.978   1.825
  315    HE1  PHE  36           HE1      PHE  36  -1.617  -7.329  -2.059
  316    HE2  PHE  36           HE2      PHE  36  -0.980  -7.549   2.195
  317    HZ   PHE  36           HZ       PHE  36  -2.298  -6.720   0.283
  318    H    GLY  37           H        GLY  37   4.546  -9.556   2.055
  319   1HA   GLY  37          1HA       GLY  37   6.036 -11.281   2.802
  320   2HA   GLY  37          2HA       GLY  37   6.313 -11.783   1.140
  321    H    ARG  38           H        ARG  38   6.675  -8.584   0.753
  322    HA   ARG  38           HA       ARG  38   9.568  -8.608   1.375
  323   1HB   ARG  38          2HB       ARG  38   8.233  -7.650  -0.840
  324   2HB   ARG  38          3HB       ARG  38   8.221  -6.203   0.146
  325   1HG   ARG  38          2HG       ARG  38  10.156  -6.043  -1.219
  326   2HG   ARG  38          3HG       ARG  38  10.767  -6.512   0.370
  327   1HD   ARG  38          2HD       ARG  38  10.622  -8.958  -0.501
  328   2HD   ARG  38          3HD       ARG  38  10.358  -8.240  -2.095
  329    HE   ARG  38           HE       ARG  38  12.740  -7.476  -0.446
  330   1HH1  ARG  38          1HH2      ARG  38  11.646  -9.158  -3.317
  331   2HH1  ARG  38          2HH2      ARG  38  13.258  -9.336  -3.950
  332   1HH2  ARG  38          1HH1      ARG  38  14.727  -7.603  -1.355
  333   2HH2  ARG  38          2HH1      ARG  38  14.981  -8.404  -2.881
  334    H    HIS  39           H        HIS  39  10.266  -6.225   2.082
  335    HA   HIS  39           HA       HIS  39   8.780  -5.730   4.602
  336   1HB   HIS  39          2HB       HIS  39  11.751  -5.916   4.187
  337   2HB   HIS  39          3HB       HIS  39  11.015  -5.179   5.602
  338    HD1  HIS  39           HD1      HIS  39  10.696  -8.703   3.867
  339    HD2  HIS  39           HD2      HIS  39  10.571  -6.718   7.568
  340    HE1  HIS  39           HE1      HIS  39  10.428 -10.506   5.635
  341    H    SER  40           H        SER  40   8.401  -3.640   5.180
  342    HA   SER  40           HA       SER  40   8.232  -1.684   3.319
  343   1HB   SER  40          2HB       SER  40   7.717  -0.077   4.988
  344   2HB   SER  40          3HB       SER  40   7.120  -1.643   5.530
  345    HG   SER  40           HG       SER  40   9.284  -0.107   6.483
  346    H    GLY  41           H        GLY  41   9.411  -0.364   2.273
  347   1HA   GLY  41          1HA       GLY  41  11.235   1.088   1.767
  348   2HA   GLY  41          2HA       GLY  41  11.982   0.683   3.296
  349    H    GLN  42           H        GLN  42  11.223  -1.937   1.033
  350    HA   GLN  42           HA       GLN  42  14.163  -2.316   0.652
  351   1HB   GLN  42          2HB       GLN  42  11.801  -4.200   0.509
  352   2HB   GLN  42          3HB       GLN  42  13.339  -4.607  -0.244
  353   1HG   GLN  42          2HG       GLN  42  14.484  -4.034   1.970
  354   2HG   GLN  42          3HG       GLN  42  12.869  -4.039   2.692
  355   1HE2  GLN  42          2HE2      GLN  42  14.378  -5.799   3.884
  356   2HE2  GLN  42          1HE2      GLN  42  14.157  -7.416   3.220
  357    H    ALA  43           H        ALA  43  11.856  -0.884  -1.377
  358    HA   ALA  43           HA       ALA  43  13.106  -1.912  -3.851
  359   1HB   ALA  43          1HB       ALA  43  11.178   0.416  -3.468
  360   2HB   ALA  43          2HB       ALA  43  11.712  -0.277  -5.003
  361   3HB   ALA  43          3HB       ALA  43  10.731  -1.252  -3.888
  362    H    GLU  44           H        GLU  44  15.331  -1.506  -3.290
  363    HA   GLU  44           HA       GLU  44  16.525   0.758  -2.355
  364   1HB   GLU  44          2HB       GLU  44  17.603  -1.423  -2.810
  365   2HB   GLU  44          3HB       GLU  44  17.634  -1.045  -4.537
  366   1HG   GLU  44          2HG       GLU  44  19.116   0.892  -4.099
  367   2HG   GLU  44          3HG       GLU  44  19.023   0.583  -2.358
  368    H    GLY  45           H        GLY  45  15.592   0.387  -5.758
  369   1HA   GLY  45          1HA       GLY  45  16.826   2.830  -6.707
  370   2HA   GLY  45          2HA       GLY  45  15.592   1.890  -7.545
  371    H    TYR  46           H        TYR  46  14.403   2.677  -4.482
  372    HA   TYR  46           HA       TYR  46  13.132   5.211  -5.376
  373   1HB   TYR  46          2HB       TYR  46  11.654   3.205  -5.606
  374   2HB   TYR  46          3HB       TYR  46  11.734   2.939  -3.898
  375    HD1  TYR  46           HD1      TYR  46   9.798   4.235  -6.376
  376    HD2  TYR  46           HD2      TYR  46  11.187   5.337  -2.469
  377    HE1  TYR  46           HE1      TYR  46   8.123   6.104  -6.324
  378    HE2  TYR  46           HE2      TYR  46   9.565   7.224  -2.457
  379    HH   TYR  46           HH       TYR  46   7.556   8.013  -5.249
  380    H    SER  47           H        SER  47  14.082   6.727  -4.110
  381    HA   SER  47           HA       SER  47  15.211   6.208  -1.559
  382   1HB   SER  47          2HB       SER  47  14.501   8.887  -2.786
  383   2HB   SER  47          3HB       SER  47  15.668   8.576  -1.477
  384    HG   SER  47           HG       SER  47  16.754   8.667  -3.493
  385    H    TYR  48           H        TYR  48  13.475   5.199  -0.424
  386    HA   TYR  48           HA       TYR  48  11.146   6.358   0.617
  387   1HB   TYR  48          2HB       TYR  48  13.094   4.362   1.817
  388   2HB   TYR  48          3HB       TYR  48  11.564   4.742   2.570
  389    HD1  TYR  48           HD1      TYR  48   9.456   3.959   1.692
  390    HD2  TYR  48           HD2      TYR  48  13.196   2.986  -0.235
  391    HE1  TYR  48           HE1      TYR  48   8.327   2.161   0.404
  392    HE2  TYR  48           HE2      TYR  48  12.022   1.297  -1.609
  393    HH   TYR  48           HH       TYR  48   8.886   0.037  -0.823
  394    H    THR  49           H        THR  49  10.724   6.841   2.943
  395    HA   THR  49           HA       THR  49  12.508   8.813   4.207
  396    HB   THR  49           HB       THR  49  10.888   8.709   6.097
  397    HG1  THR  49           1HG      THR  49   9.404   6.993   4.384
  398   1HG2  THR  49          1HG2      THR  49   9.509   9.133   3.438
  399   2HG2  THR  49          2HG2      THR  49   9.059   9.818   5.014
  400   3HG2  THR  49          3HG2      THR  49  10.571  10.315   4.249
  401    H    ASP  50           H        ASP  50  13.653   8.568   6.030
  402    HA   ASP  50           HA       ASP  50  14.811   6.287   7.094
  403   1HB   ASP  50          2HB       ASP  50  15.478   8.492   7.797
  404   2HB   ASP  50          3HB       ASP  50  13.859   8.866   8.404
  405    H    ALA  51           H        ALA  51  11.672   7.679   8.129
  406    HA   ALA  51           HA       ALA  51  11.101   5.824  10.147
  407   1HB   ALA  51          1HB       ALA  51   9.161   7.361   8.372
  408   2HB   ALA  51          2HB       ALA  51   8.818   6.695   9.990
  409   3HB   ALA  51          3HB       ALA  51   9.986   8.010   9.812
  410    H    ASN  52           H        ASN  52  10.129   5.631   6.655
  411    HA   ASN  52           HA       ASN  52   8.592   3.199   7.039
  412   1HB   ASN  52          2HB       ASN  52   8.350   4.865   5.139
  413   2HB   ASN  52          3HB       ASN  52   9.842   4.215   4.450
  414   1HD2  ASN  52          2HD2      ASN  52   9.701   2.128   3.370
  415   2HD2  ASN  52          1HD2      ASN  52   8.128   1.409   3.079
  416    H    ILE  53           H        ILE  53  11.965   3.860   6.311
  417    HA   ILE  53           HA       ILE  53  12.723   1.093   5.836
  418    HB   ILE  53           HB       ILE  53  14.359   3.540   6.514
  419   1HG1  ILE  53          2HG1      ILE  53  14.195   2.222   3.769
  420   2HG1  ILE  53          3HG1      ILE  53  13.093   3.503   4.252
  421   1HG2  ILE  53          1HG2      ILE  53  15.290   0.788   5.539
  422   2HG2  ILE  53          2HG2      ILE  53  16.346   2.208   5.619
  423   3HG2  ILE  53          3HG2      ILE  53  15.685   1.544   7.098
  424   1HD1  ILE  53          1HD1      ILE  53  16.126   3.770   4.089
  425   2HD1  ILE  53          2HD1      ILE  53  14.939   4.488   3.008
  426   3HD1  ILE  53          3HD1      ILE  53  15.021   5.025   4.692
  427    H    LYS  54           H        LYS  54  13.526   3.233   8.609
  428    HA   LYS  54           HA       LYS  54  14.649   1.061  10.148
  429   1HB   LYS  54          2HB       LYS  54  13.729   3.858  10.948
  430   2HB   LYS  54          3HB       LYS  54  14.384   2.693  12.095
  431   1HG   LYS  54          2HG       LYS  54  16.312   2.493  10.221
  432   2HG   LYS  54          3HG       LYS  54  15.819   4.146   9.878
  433   1HD   LYS  54          2HD       LYS  54  16.427   3.259  12.738
  434   2HD   LYS  54          3HD       LYS  54  17.735   3.525  11.611
  435   1HE   LYS  54          2HE       LYS  54  17.319   5.471  13.067
  436   2HE   LYS  54          3HE       LYS  54  17.262   5.824  11.336
  437   1HZ   LYS  54          1HZ       LYS  54  14.753   5.399  12.861
  438   2HZ   LYS  54          2HZ       LYS  54  15.456   6.887  12.592
  439   3HZ   LYS  54          3HZ       LYS  54  14.994   6.064  11.360
  440    H    LYS  55           H        LYS  55  11.572   1.333   9.334
  441    HA   LYS  55           HA       LYS  55  10.585  -0.072  11.801
  442   1HB   LYS  55          2HB       LYS  55   9.323   1.929  10.762
  443   2HB   LYS  55          3HB       LYS  55   8.727   0.789   9.564
  444   1HG   LYS  55          2HG       LYS  55   8.519   0.137  12.526
  445   2HG   LYS  55          3HG       LYS  55   7.468   1.379  11.890
  446   1HD   LYS  55          2HD       LYS  55   6.107  -0.051  10.799
  447   2HD   LYS  55          3HD       LYS  55   7.409  -1.116  10.282
  448   1HE   LYS  55          2HE       LYS  55   6.456  -0.957  13.167
  449   2HE   LYS  55          3HE       LYS  55   5.676  -2.020  11.990
  450   1HZ   LYS  55          1HZ       LYS  55   8.596  -2.119  12.426
  451   2HZ   LYS  55          2HZ       LYS  55   7.563  -3.059  13.324
  452   3HZ   LYS  55          3HZ       LYS  55   7.712  -3.203  11.680
  453    H    ASN  56           H        ASN  56  11.622  -0.740   8.639
  454    HA   ASN  56           HA       ASN  56  10.889  -2.347   7.058
  455   1HB   ASN  56          2HB       ASN  56  12.816  -3.527   9.079
  456   2HB   ASN  56          3HB       ASN  56  12.375  -4.369   7.606
  457   1HD2  ASN  56          2HD2      ASN  56  12.402  -1.882   5.772
  458   2HD2  ASN  56          1HD2      ASN  56  14.138  -1.633   5.767
  459    H    VAL  57           H        VAL  57   8.624  -2.484   7.482
  460    HA   VAL  57           HA       VAL  57   7.728  -4.774   9.112
  461    HB   VAL  57           HB       VAL  57   6.583  -2.287   8.578
  462   1HG1  VAL  57          1HG1      VAL  57   4.805  -4.326   7.193
  463   2HG1  VAL  57          2HG1      VAL  57   4.367  -2.677   7.666
  464   3HG1  VAL  57          3HG1      VAL  57   5.592  -2.935   6.432
  465   1HG2  VAL  57          1HG2      VAL  57   6.390  -3.773  10.536
  466   2HG2  VAL  57          2HG2      VAL  57   4.828  -3.176   9.985
  467   3HG2  VAL  57          3HG2      VAL  57   5.346  -4.855   9.627
  468    H    LEU  58           H        LEU  58   7.406  -6.719   8.472
  469    HA   LEU  58           HA       LEU  58   7.455  -7.505   5.719
  470   1HB   LEU  58          2HB       LEU  58   7.897  -8.901   7.836
  471   2HB   LEU  58          3HB       LEU  58   6.153  -9.104   7.945
  472    HG   LEU  58           HG       LEU  58   7.775  -9.782   5.431
  473   1HD1  LEU  58          1HD1      LEU  58   6.921 -11.650   7.683
  474   2HD1  LEU  58          2HD1      LEU  58   7.758 -12.108   6.182
  475   3HD1  LEU  58          3HD1      LEU  58   8.584 -11.101   7.383
  476   1HD2  LEU  58          1HD2      LEU  58   5.422  -9.640   4.913
  477   2HD2  LEU  58          2HD2      LEU  58   5.814 -11.349   5.054
  478   3HD2  LEU  58          3HD2      LEU  58   4.977 -10.534   6.386
  479    H    TRP  59           H        TRP  59   6.066  -6.822   4.340
  480    HA   TRP  59           HA       TRP  59   3.401  -5.899   4.891
  481   1HB   TRP  59          2HB       TRP  59   4.862  -6.522   2.335
  482   2HB   TRP  59          3HB       TRP  59   3.221  -5.878   2.356
  483    HD1  TRP  59           HD1      TRP  59   6.416  -4.608   1.668
  484    HE1  TRP  59           HE1      TRP  59   6.685  -2.116   2.251
  485    HE3  TRP  59           HE3      TRP  59   2.380  -4.032   4.773
  486    HZ2  TRP  59           HZ2      TRP  59   5.568  -0.263   4.106
  487    HZ3  TRP  59           HZ3      TRP  59   2.034  -1.958   6.001
  488    HH2  TRP  59           HH2      TRP  59   3.625  -0.020   5.710
  489    H    ASP  60           H        ASP  60   1.914  -7.177   5.590
  490    HA   ASP  60           HA       ASP  60   1.335  -9.804   4.301
  491   1HB   ASP  60          2HB       ASP  60   2.138 -10.364   6.402
  492   2HB   ASP  60          3HB       ASP  60   1.526  -8.891   7.143
  493    H    GLU  61           H        GLU  61  -0.870 -10.462   4.717
  494    HA   GLU  61           HA       GLU  61  -2.734  -8.631   3.348
  495   1HB   GLU  61          2HB       GLU  61  -2.972 -11.519   4.262
  496   2HB   GLU  61          3HB       GLU  61  -4.312 -10.604   3.548
  497   1HG   GLU  61          2HG       GLU  61  -2.915 -10.129   1.540
  498   2HG   GLU  61          3HG       GLU  61  -1.624 -11.122   2.214
  499    H    ASN  62           H        ASN  62  -2.061  -9.268   6.704
  500    HA   ASN  62           HA       ASN  62  -4.429  -7.572   7.367
  501   1HB   ASN  62          2HB       ASN  62  -3.123  -9.907   8.764
  502   2HB   ASN  62          3HB       ASN  62  -3.777  -8.596   9.731
  503   1HD2  ASN  62          2HD2      ASN  62  -5.185  -9.574   6.613
  504   2HD2  ASN  62          1HD2      ASN  62  -6.650 -10.228   7.326
  505    H    ASN  63           H        ASN  63  -0.902  -8.000   8.029
  506    HA   ASN  63           HA       ASN  63  -0.803  -5.600   9.597
  507   1HB   ASN  63          2HB       ASN  63   0.843  -7.483   9.648
  508   2HB   ASN  63          3HB       ASN  63   1.490  -6.905   8.101
  509   1HD2  ASN  63          2HD2      ASN  63   3.141  -5.468   8.259
  510   2HD2  ASN  63          1HD2      ASN  63   3.348  -4.401   9.661
  511    H    MET  64           H        MET  64  -0.749  -5.886   6.051
  512    HA   MET  64           HA       MET  64  -0.029  -3.054   5.738
  513   1HB   MET  64          2HB       MET  64   0.039  -4.900   3.855
  514   2HB   MET  64          3HB       MET  64  -1.684  -4.588   3.771
  515   1HG   MET  64          2HG       MET  64  -0.815  -2.023   3.705
  516   2HG   MET  64          3HG       MET  64   0.612  -2.806   3.052
  517   1HE   MET  64          1HE       MET  64  -0.289  -5.132   1.382
  518   2HE   MET  64          2HE       MET  64  -0.706  -4.449  -0.204
  519   3HE   MET  64          3HE       MET  64   0.740  -3.875   0.669
  520    H    SER  65           H        SER  65  -3.048  -4.837   6.369
  521    HA   SER  65           HA       SER  65  -4.896  -2.717   5.830
  522   1HB   SER  65          2HB       SER  65  -5.368  -5.216   6.331
  523   2HB   SER  65          3HB       SER  65  -5.359  -4.731   8.037
  524    HG   SER  65           HG       SER  65  -7.421  -4.628   6.681
  525    H    GLU  66           H        GLU  66  -3.004  -3.475   8.757
  526    HA   GLU  66           HA       GLU  66  -3.915  -1.295  10.422
  527   1HB   GLU  66          2HB       GLU  66  -2.665  -3.009  11.425
  528   2HB   GLU  66          3HB       GLU  66  -1.416  -2.953  10.198
  529   1HG   GLU  66          2HG       GLU  66  -0.475  -2.149  12.152
  530   2HG   GLU  66          3HG       GLU  66  -0.621  -0.781  11.059
  531    H    TYR  67           H        TYR  67  -1.070  -1.335   8.166
  532    HA   TYR  67           HA       TYR  67  -0.537   1.446   8.364
  533   1HB   TYR  67          2HB       TYR  67   0.960  -0.281   7.358
  534   2HB   TYR  67          3HB       TYR  67  -0.088  -0.347   5.955
  535    HD1  TYR  67           HD1      TYR  67   1.035   0.590   4.088
  536    HD2  TYR  67           HD2      TYR  67   1.402   2.453   7.931
  537    HE1  TYR  67           HE1      TYR  67   2.551   2.301   3.126
  538    HE2  TYR  67           HE2      TYR  67   2.855   4.240   6.942
  539    HH   TYR  67           HH       TYR  67   4.246   3.852   3.794
  540    H    LEU  68           H        LEU  68  -2.842  -0.219   6.156
  541    HA   LEU  68           HA       LEU  68  -3.670   2.261   4.862
  542   1HB   LEU  68          2HB       LEU  68  -5.023  -0.464   5.008
  543   2HB   LEU  68          3HB       LEU  68  -5.536   0.879   4.000
  544    HG   LEU  68           HG       LEU  68  -2.998  -0.760   3.699
  545   1HD1  LEU  68          1HD1      LEU  68  -5.344  -0.259   1.833
  546   2HD1  LEU  68          2HD1      LEU  68  -3.967  -1.349   1.557
  547   3HD1  LEU  68          3HD1      LEU  68  -5.133  -1.710   2.842
  548   1HD2  LEU  68          1HD2      LEU  68  -2.355   1.535   3.196
  549   2HD2  LEU  68          2HD2      LEU  68  -2.484   0.595   1.717
  550   3HD2  LEU  68          3HD2      LEU  68  -3.781   1.738   2.152
  551    H    THR  69           H        THR  69  -4.473   0.888   7.924
  552    HA   THR  69           HA       THR  69  -7.027   2.245   8.303
  553    HB   THR  69           HB       THR  69  -5.161   1.216  10.396
  554    HG1  THR  69           1HG      THR  69  -5.915  -0.405   9.023
  555   1HG2  THR  69          1HG2      THR  69  -8.103   1.963  10.513
  556   2HG2  THR  69          2HG2      THR  69  -7.209   1.107  11.788
  557   3HG2  THR  69          3HG2      THR  69  -6.774   2.774  11.381
  558    H    ASN  70           H        ASN  70  -3.752   2.895   9.592
  559    HA   ASN  70           HA       ASN  70  -4.162   5.772   9.196
  560   1HB   ASN  70          2HB       ASN  70  -5.109   5.376  11.447
  561   2HB   ASN  70          3HB       ASN  70  -3.529   4.797  11.995
  562   1HD2  ASN  70          2HD2      ASN  70  -5.170   7.198  12.829
  563   2HD2  ASN  70          1HD2      ASN  70  -4.067   8.550  12.543
  564    HA   PRO  71           HA       PRO  71  -0.055   4.124   8.102
  565   1HB   PRO  71          2HB       PRO  71   0.615   5.968   6.143
  566   2HB   PRO  71          3HB       PRO  71  -0.434   4.553   5.860
  567   1HG   PRO  71          2HG       PRO  71  -1.270   7.404   6.468
  568   2HG   PRO  71          3HG       PRO  71  -1.903   6.314   5.203
  569   1HD   PRO  71          2HD       PRO  71  -3.198   6.648   7.552
  570   2HD   PRO  71          3HD       PRO  71  -3.127   5.035   6.781
  571    H    LYS  72           H        LYS  72  -0.880   7.439   8.802
  572    HA   LYS  72           HA       LYS  72   1.818   8.404   9.287
  573   1HB   LYS  72          2HB       LYS  72  -0.689   9.531   8.784
  574   2HB   LYS  72          3HB       LYS  72  -0.435   9.954  10.468
  575   1HG   LYS  72          2HG       LYS  72   1.579  11.151   9.984
  576   2HG   LYS  72          3HG       LYS  72   1.736  10.436   8.373
  577   1HD   LYS  72          2HD       LYS  72  -0.569  12.259   9.158
  578   2HD   LYS  72          3HD       LYS  72   0.933  12.834   8.406
  579   1HE   LYS  72          2HE       LYS  72   0.568  11.434   6.430
  580   2HE   LYS  72          3HE       LYS  72  -0.834  10.674   7.169
  581   1HZ   LYS  72          1HZ       LYS  72  -0.687  13.499   6.333
  582   2HZ   LYS  72          2HZ       LYS  72  -1.599  12.288   5.693
  583   3HZ   LYS  72          3HZ       LYS  72  -1.942  12.826   7.187
  584    H    LYS  73           H        LYS  73  -0.587   6.960  11.317
  585    HA   LYS  73           HA       LYS  73   0.915   7.299  13.837
  586   1HB   LYS  73          2HB       LYS  73  -1.452   7.056  13.999
  587   2HB   LYS  73          3HB       LYS  73  -1.484   5.658  12.940
  588   1HG   LYS  73          2HG       LYS  73   0.099   5.261  15.444
  589   2HG   LYS  73          3HG       LYS  73  -1.617   5.573  15.677
  590   1HD   LYS  73          2HD       LYS  73  -2.254   3.746  14.204
  591   2HD   LYS  73          3HD       LYS  73  -0.566   3.401  13.806
  592   1HE   LYS  73          2HE       LYS  73  -0.075   2.737  16.078
  593   2HE   LYS  73          3HE       LYS  73  -1.660   3.297  16.638
  594   1HZ   LYS  73          1HZ       LYS  73  -1.207   0.993  14.775
  595   2HZ   LYS  73          2HZ       LYS  73  -1.700   0.884  16.302
  596   3HZ   LYS  73          3HZ       LYS  73  -2.649   1.547  15.132
  597    H    TYR  74           H        TYR  74   0.455   4.624  11.485
  598    HA   TYR  74           HA       TYR  74   1.991   2.776  13.049
  599   1HB   TYR  74          2HB       TYR  74   0.203   2.315  11.292
  600   2HB   TYR  74          3HB       TYR  74   1.416   2.640  10.077
  601    HD1  TYR  74           HD1      TYR  74   2.442   0.700   9.164
  602    HD2  TYR  74           HD2      TYR  74   1.116   0.644  13.274
  603    HE1  TYR  74           HE1      TYR  74   3.154  -1.662   9.377
  604    HE2  TYR  74           HE2      TYR  74   1.881  -1.696  13.493
  605    HH   TYR  74           HH       TYR  74   2.265  -3.743  11.512
  606    H    ILE  75           H        ILE  75   2.847   4.797  10.340
  607    HA   ILE  75           HA       ILE  75   5.756   4.367  10.946
  608    HB   ILE  75           HB       ILE  75   4.612   5.218   8.290
  609   1HG1  ILE  75          2HG1      ILE  75   4.072   2.846   8.647
  610   2HG1  ILE  75          3HG1      ILE  75   5.202   3.115   7.331
  611   1HG2  ILE  75          1HG2      ILE  75   7.446   4.547   9.215
  612   2HG2  ILE  75          2HG2      ILE  75   6.973   4.821   7.522
  613   3HG2  ILE  75          3HG2      ILE  75   6.843   6.129   8.697
  614   1HD1  ILE  75          1HD1      ILE  75   6.017   2.179  10.103
  615   2HD1  ILE  75          2HD1      ILE  75   5.737   1.124   8.699
  616   3HD1  ILE  75          3HD1      ILE  75   7.062   2.295   8.667
  617    HA   PRO  76           HA       PRO  76   4.498   8.620  12.202
  618   1HB   PRO  76          2HB       PRO  76   5.990   8.866  14.460
  619   2HB   PRO  76          3HB       PRO  76   4.475   7.913  14.392
  620   1HG   PRO  76          2HG       PRO  76   7.323   6.882  14.133
  621   2HG   PRO  76          3HG       PRO  76   6.014   6.267  15.196
  622   1HD   PRO  76          2HD       PRO  76   6.573   5.149  12.773
  623   2HD   PRO  76          3HD       PRO  76   4.900   5.253  13.388
  624    H    GLY  77           H        GLY  77   5.516   9.056  10.194
  625   1HA   GLY  77          1HA       GLY  77   7.254  11.059   9.792
  626   2HA   GLY  77          2HA       GLY  77   8.410   9.794  10.158
  627    H    THR  78           H        THR  78   5.787   8.394   8.457
  628    HA   THR  78           HA       THR  78   7.257   7.933   6.040
  629    HB   THR  78           HB       THR  78   5.470   6.463   6.781
  630    HG1  THR  78           1HG      THR  78   4.684   6.058   4.843
  631   1HG2  THR  78          1HG2      THR  78   3.461   8.608   5.988
  632   2HG2  THR  78          2HG2      THR  78   3.115   6.967   6.565
  633   3HG2  THR  78          3HG2      THR  78   3.830   8.158   7.661
  634    H    LYS  79           H        LYS  79   6.997   8.731   3.989
  635    HA   LYS  79           HA       LYS  79   6.015  11.500   3.570
  636   1HB   LYS  79          2HB       LYS  79   8.131  10.898   2.640
  637   2HB   LYS  79          3HB       LYS  79   7.478   9.487   1.853
  638   1HG   LYS  79          2HG       LYS  79   6.109  11.201   0.417
  639   2HG   LYS  79          3HG       LYS  79   7.212  12.405   1.066
  640   1HD   LYS  79          2HD       LYS  79   7.981   9.891  -0.515
  641   2HD   LYS  79          3HD       LYS  79   7.737  11.483  -1.199
  642   1HE   LYS  79          2HE       LYS  79  10.034  11.266  -1.087
  643   2HE   LYS  79          3HE       LYS  79   9.637  12.341   0.263
  644   1HZ   LYS  79          1HZ       LYS  79   9.995   9.400   0.569
  645   2HZ   LYS  79          2HZ       LYS  79  11.257  10.430   0.736
  646   3HZ   LYS  79          3HZ       LYS  79   9.938  10.472   1.749
  647    H    MET  80           H        MET  80   4.452   8.503   3.641
  648    HA   MET  80           HA       MET  80   2.479   8.903   1.586
  649   1HB   MET  80          2HB       MET  80   3.008   6.729   2.574
  650   2HB   MET  80          3HB       MET  80   2.386   7.255   4.135
  651   1HG   MET  80          2HG       MET  80   0.226   7.168   3.485
  652   2HG   MET  80          3HG       MET  80   0.549   7.589   1.810
  653   1HE   MET  80          1HE       MET  80  -1.631   5.776   1.729
  654   2HE   MET  80          2HE       MET  80  -1.416   4.037   2.058
  655   3HE   MET  80          3HE       MET  80  -1.355   5.201   3.390
  656    H    ALA  81           H        ALA  81   2.125  11.152   1.807
  657    HA   ALA  81           HA       ALA  81   1.062  12.425   4.018
  658   1HB   ALA  81          1HB       ALA  81   0.650  13.145   1.079
  659   2HB   ALA  81          2HB       ALA  81   0.544  14.270   2.448
  660   3HB   ALA  81          3HB       ALA  81   2.102  13.528   2.034
  661    H    PHE  82           H        PHE  82  -0.503  10.199   2.544
  662    HA   PHE  82           HA       PHE  82  -3.268  10.869   2.214
  663   1HB   PHE  82          2HB       PHE  82  -2.095   8.881   1.292
  664   2HB   PHE  82          3HB       PHE  82  -1.904   8.243   2.917
  665    HD1  PHE  82           HD1      PHE  82  -3.370   6.515   3.479
  666    HD2  PHE  82           HD2      PHE  82  -4.692   9.525   0.686
  667    HE1  PHE  82           HE1      PHE  82  -5.510   5.313   3.199
  668    HE2  PHE  82           HE2      PHE  82  -6.851   8.339   0.444
  669    HZ   PHE  82           HZ       PHE  82  -7.270   6.233   1.713
  670    H    GLY  83           H        GLY  83  -5.029   9.822   3.543
  671   1HA   GLY  83          1HA       GLY  83  -4.795  10.714   6.380
  672   2HA   GLY  83          2HA       GLY  83  -6.283  10.456   5.475
  673    H    GLY  84           H        GLY  84  -6.402   8.008   4.648
  674   1HA   GLY  84          1HA       GLY  84  -5.602   5.683   5.607
  675   2HA   GLY  84          2HA       GLY  84  -6.351   6.323   7.073
  676    H    LEU  85           H        LEU  85  -7.153   4.018   5.409
  677    HA   LEU  85           HA       LEU  85  -9.800   4.765   4.292
  678   1HB   LEU  85          2HB       LEU  85  -8.269   2.169   4.490
  679   2HB   LEU  85          3HB       LEU  85  -9.914   2.278   3.861
  680    HG   LEU  85           HG       LEU  85  -7.391   3.476   2.641
  681   1HD1  LEU  85          1HD1      LEU  85  -9.354   1.349   1.653
  682   2HD1  LEU  85          2HD1      LEU  85  -7.952   1.968   0.763
  683   3HD1  LEU  85          3HD1      LEU  85  -7.708   1.057   2.261
  684   1HD2  LEU  85          1HD2      LEU  85  -9.245   5.046   2.228
  685   2HD2  LEU  85          2HD2      LEU  85  -8.831   4.172   0.747
  686   3HD2  LEU  85          3HD2      LEU  85 -10.269   3.692   1.669
  687    H    LYS  86           H        LYS  86 -10.525   5.626   6.194
  688    HA   LYS  86           HA       LYS  86 -10.779   4.473   8.692
  689   1HB   LYS  86          2HB       LYS  86 -11.767   6.824   7.325
  690   2HB   LYS  86          3HB       LYS  86 -13.064   6.215   8.309
  691   1HG   LYS  86          2HG       LYS  86 -10.240   6.870   9.227
  692   2HG   LYS  86          3HG       LYS  86 -11.647   7.889   9.481
  693   1HD   LYS  86          2HD       LYS  86 -11.412   5.096  10.705
  694   2HD   LYS  86          3HD       LYS  86 -10.745   6.532  11.444
  695   1HE   LYS  86          2HE       LYS  86 -12.801   6.051  12.503
  696   2HE   LYS  86          3HE       LYS  86 -12.973   7.567  11.617
  697   1HZ   LYS  86          1HZ       LYS  86 -13.825   5.022  10.389
  698   2HZ   LYS  86          2HZ       LYS  86 -14.824   5.803  11.452
  699   3HZ   LYS  86          3HZ       LYS  86 -14.354   6.548  10.071
  700    H    LYS  87           H        LYS  87 -12.176   2.774   6.375
  701    HA   LYS  87           HA       LYS  87 -14.268   1.629   8.159
  702   1HB   LYS  87          2HB       LYS  87 -14.503   2.080   5.148
  703   2HB   LYS  87          3HB       LYS  87 -15.537   0.999   6.075
  704   1HG   LYS  87          2HG       LYS  87 -16.364   2.976   7.393
  705   2HG   LYS  87          3HG       LYS  87 -15.391   4.029   6.339
  706   1HD   LYS  87          2HD       LYS  87 -16.607   3.070   4.347
  707   2HD   LYS  87          3HD       LYS  87 -17.637   2.152   5.462
  708   1HE   LYS  87          2HE       LYS  87 -18.410   4.307   6.476
  709   2HE   LYS  87          3HE       LYS  87 -17.390   5.189   5.326
  710   1HZ   LYS  87          1HZ       LYS  87 -19.705   3.459   4.639
  711   2HZ   LYS  87          2HZ       LYS  87 -19.635   5.086   4.486
  712   3HZ   LYS  87          3HZ       LYS  87 -18.701   4.131   3.525
  713    H    GLU  88           H        GLU  88 -13.893  -0.549   8.423
  714    HA   GLU  88           HA       GLU  88 -11.570  -1.739   7.341
  715   1HB   GLU  88          2HB       GLU  88 -12.785  -2.425   9.405
  716   2HB   GLU  88          3HB       GLU  88 -13.984  -3.245   8.405
  717   1HG   GLU  88          2HG       GLU  88 -12.576  -4.988   7.936
  718   2HG   GLU  88          3HG       GLU  88 -11.193  -3.932   7.647
  719    H    LYS  89           H        LYS  89 -14.965  -2.447   6.257
  720    HA   LYS  89           HA       LYS  89 -14.235  -4.240   4.252
  721   1HB   LYS  89          2HB       LYS  89 -16.611  -2.372   4.112
  722   2HB   LYS  89          3HB       LYS  89 -16.403  -3.949   3.352
  723   1HG   LYS  89          2HG       LYS  89 -15.921  -4.494   6.024
  724   2HG   LYS  89          3HG       LYS  89 -17.179  -3.275   6.127
  725   1HD   LYS  89          2HD       LYS  89 -17.344  -5.889   4.539
  726   2HD   LYS  89          3HD       LYS  89 -18.016  -5.628   6.154
  727   1HE   LYS  89          2HE       LYS  89 -19.479  -3.822   5.253
  728   2HE   LYS  89          3HE       LYS  89 -18.854  -4.132   3.627
  729   1HZ   LYS  89          1HZ       LYS  89 -20.351  -6.078   5.309
  730   2HZ   LYS  89          2HZ       LYS  89 -20.959  -5.285   4.011
  731   3HZ   LYS  89          3HZ       LYS  89 -19.772  -6.399   3.804
  732    H    ASP  90           H        ASP  90 -14.022  -0.908   4.133
  733    HA   ASP  90           HA       ASP  90 -13.611  -0.450   1.241
  734   1HB   ASP  90          2HB       ASP  90 -14.276   1.267   3.023
  735   2HB   ASP  90          3HB       ASP  90 -12.586   1.280   3.526
  736    H    ARG  91           H        ARG  91 -11.405  -0.833   4.060
  737    HA   ARG  91           HA       ARG  91  -8.959  -1.166   2.531
  738   1HB   ARG  91          2HB       ARG  91  -9.672  -2.400   5.237
  739   2HB   ARG  91          3HB       ARG  91  -8.088  -2.416   4.476
  740   1HG   ARG  91          2HG       ARG  91  -8.046   0.042   4.496
  741   2HG   ARG  91          3HG       ARG  91  -9.583   0.071   5.396
  742   1HD   ARG  91          2HD       ARG  91  -6.960  -1.219   6.266
  743   2HD   ARG  91          3HD       ARG  91  -7.579   0.310   6.863
  744    HE   ARG  91           HE       ARG  91  -8.345  -2.368   7.685
  745   1HH1  ARG  91          1HH2      ARG  91  -9.480   0.952   7.692
  746   2HH1  ARG  91          2HH2      ARG  91  -9.986   0.795   9.365
  747   1HH2  ARG  91          1HH1      ARG  91  -9.548  -2.548   9.651
  748   2HH2  ARG  91          2HH1      ARG  91 -10.052  -1.087  10.391
  749    H    ASN  92           H        ASN  92 -11.249  -3.584   3.787
  750    HA   ASN  92           HA       ASN  92  -9.816  -5.819   2.880
  751   1HB   ASN  92          2HB       ASN  92 -12.833  -5.636   3.190
  752   2HB   ASN  92          3HB       ASN  92 -11.877  -7.118   3.116
  753   1HD2  ASN  92          2HD2      ASN  92 -13.298  -7.144   5.200
  754   2HD2  ASN  92          1HD2      ASN  92 -12.433  -6.551   6.654
  755    H    ASP  93           H        ASP  93 -12.367  -4.041   1.076
  756    HA   ASP  93           HA       ASP  93 -12.174  -5.524  -1.391
  757   1HB   ASP  93          2HB       ASP  93 -12.928  -2.677  -0.684
  758   2HB   ASP  93          3HB       ASP  93 -12.648  -3.124  -2.361
  759    H    LEU  94           H        LEU  94 -10.395  -2.562  -0.379
  760    HA   LEU  94           HA       LEU  94  -8.737  -2.278  -2.617
  761   1HB   LEU  94          2HB       LEU  94  -9.088  -0.918  -0.298
  762   2HB   LEU  94          3HB       LEU  94  -7.622  -1.747   0.146
  763    HG   LEU  94           HG       LEU  94  -7.044   0.393  -0.639
  764   1HD1  LEU  94          1HD1      LEU  94  -6.459  -1.394  -3.016
  765   2HD1  LEU  94          2HD1      LEU  94  -5.573   0.046  -2.475
  766   3HD1  LEU  94          3HD1      LEU  94  -5.570  -1.411  -1.473
  767   1HD2  LEU  94          1HD2      LEU  94  -9.142   0.880  -1.801
  768   2HD2  LEU  94          2HD2      LEU  94  -7.734   1.348  -2.758
  769   3HD2  LEU  94          3HD2      LEU  94  -8.629  -0.132  -3.175
  770    H    ILE  95           H        ILE  95  -8.035  -4.084   0.334
  771    HA   ILE  95           HA       ILE  95  -5.569  -5.309  -0.424
  772    HB   ILE  95           HB       ILE  95  -7.728  -6.144   1.538
  773   1HG1  ILE  95          2HG1      ILE  95  -4.912  -5.079   2.068
  774   2HG1  ILE  95          3HG1      ILE  95  -6.278  -3.997   1.850
  775   1HG2  ILE  95          1HG2      ILE  95  -4.954  -7.382   1.161
  776   2HG2  ILE  95          2HG2      ILE  95  -6.042  -7.722   2.515
  777   3HG2  ILE  95          3HG2      ILE  95  -6.505  -8.203   0.895
  778   1HD1  ILE  95          1HD1      ILE  95  -5.995  -6.057   4.060
  779   2HD1  ILE  95          2HD1      ILE  95  -5.950  -4.289   4.183
  780   3HD1  ILE  95          3HD1      ILE  95  -7.465  -5.101   3.749
  781    H    THR  96           H        THR  96  -8.945  -6.540  -0.819
  782    HA   THR  96           HA       THR  96  -8.151  -8.966  -2.090
  783    HB   THR  96           HB       THR  96 -10.712  -7.563  -2.885
  784    HG1  THR  96           1HG      THR  96 -10.482  -7.617  -0.557
  785   1HG2  THR  96          1HG2      THR  96  -9.956 -10.492  -2.413
  786   2HG2  THR  96          2HG2      THR  96 -11.553  -9.912  -2.897
  787   3HG2  THR  96          3HG2      THR  96 -10.183  -9.743  -4.006
  788    H    TYR  97           H        TYR  97  -8.494  -5.711  -3.508
  789    HA   TYR  97           HA       TYR  97  -7.960  -6.651  -6.248
  790   1HB   TYR  97          2HB       TYR  97  -8.951  -4.565  -6.089
  791   2HB   TYR  97          3HB       TYR  97  -7.777  -3.929  -4.945
  792    HD1  TYR  97           HD1      TYR  97  -8.140  -5.153  -8.478
  793    HD2  TYR  97           HD2      TYR  97  -5.770  -2.870  -5.699
  794    HE1  TYR  97           HE1      TYR  97  -6.769  -4.299 -10.362
  795    HE2  TYR  97           HE2      TYR  97  -4.345  -2.082  -7.578
  796    HH   TYR  97           HH       TYR  97  -4.894  -3.036 -10.962
  797    H    LEU  98           H        LEU  98  -5.833  -5.093  -3.772
  798    HA   LEU  98           HA       LEU  98  -3.512  -5.277  -5.364
  799   1HB   LEU  98          2HB       LEU  98  -4.280  -4.460  -2.694
  800   2HB   LEU  98          3HB       LEU  98  -2.826  -5.399  -2.567
  801    HG   LEU  98           HG       LEU  98  -3.146  -3.111  -4.564
  802   1HD1  LEU  98          1HD1      LEU  98  -1.971  -2.981  -1.758
  803   2HD1  LEU  98          2HD1      LEU  98  -2.004  -1.672  -2.954
  804   3HD1  LEU  98          3HD1      LEU  98  -3.520  -2.276  -2.272
  805   1HD2  LEU  98          1HD2      LEU  98  -1.243  -4.672  -4.999
  806   2HD2  LEU  98          2HD2      LEU  98  -0.686  -3.059  -4.538
  807   3HD2  LEU  98          3HD2      LEU  98  -0.648  -4.389  -3.357
  808    H    LYS  99           H        LYS  99  -4.857  -7.614  -3.140
  809    HA   LYS  99           HA       LYS  99  -3.044  -9.761  -3.106
  810   1HB   LYS  99          2HB       LYS  99  -5.037  -9.671  -1.741
  811   2HB   LYS  99          3HB       LYS  99  -6.055  -9.474  -3.155
  812   1HG   LYS  99          2HG       LYS  99  -6.562 -11.549  -2.373
  813   2HG   LYS  99          3HG       LYS  99  -5.596 -11.869  -3.798
  814   1HD   LYS  99          2HD       LYS  99  -4.523 -11.906  -0.935
  815   2HD   LYS  99          3HD       LYS  99  -5.185 -13.320  -1.754
  816   1HE   LYS  99          2HE       LYS  99  -3.476 -12.957  -3.604
  817   2HE   LYS  99          3HE       LYS  99  -2.714 -11.741  -2.567
  818   1HZ   LYS  99          1HZ       LYS  99  -3.155 -14.552  -1.826
  819   2HZ   LYS  99          2HZ       LYS  99  -1.763 -13.967  -2.403
  820   3HZ   LYS  99          3HZ       LYS  99  -2.382 -13.449  -0.891
  821    H    LYS 100           H        LYS 100  -5.092  -8.685  -5.775
  822    HA   LYS 100           HA       LYS 100  -4.147 -10.943  -7.488
  823   1HB   LYS 100          2HB       LYS 100  -6.745 -10.368  -6.721
  824   2HB   LYS 100          3HB       LYS 100  -6.655  -9.592  -8.287
  825   1HG   LYS 100          2HG       LYS 100  -7.363 -11.780  -8.822
  826   2HG   LYS 100          3HG       LYS 100  -5.640 -11.781  -9.192
  827   1HD   LYS 100          2HD       LYS 100  -5.383 -12.748  -6.721
  828   2HD   LYS 100          3HD       LYS 100  -7.114 -13.057  -6.867
  829   1HE   LYS 100          2HE       LYS 100  -6.313 -15.076  -7.670
  830   2HE   LYS 100          3HE       LYS 100  -6.376 -14.165  -9.196
  831   1HZ   LYS 100          1HZ       LYS 100  -3.988 -14.673  -7.491
  832   2HZ   LYS 100          2HZ       LYS 100  -4.159 -15.081  -9.081
  833   3HZ   LYS 100          3HZ       LYS 100  -3.994 -13.558  -8.688
  834    H    ALA 101           H        ALA 101  -3.545  -7.989  -6.991
  835    HA   ALA 101           HA       ALA 101  -3.007  -7.097  -9.792
  836   1HB   ALA 101          1HB       ALA 101  -2.233  -5.706  -7.203
  837   2HB   ALA 101          2HB       ALA 101  -2.285  -5.012  -8.835
  838   3HB   ALA 101          3HB       ALA 101  -3.793  -5.474  -8.033
  839    H    THR 102           H        THR 102  -1.527  -9.048  -7.559
  840    HA   THR 102           HA       THR 102   1.240  -8.676  -8.632
  841    HB   THR 102           HB       THR 102   0.890  -8.294  -6.224
  842    HG1  THR 102           1HG      THR 102   2.512 -10.433  -7.101
  843   1HG2  THR 102          1HG2      THR 102   0.613 -11.280  -5.898
  844   2HG2  THR 102          2HG2      THR 102   0.684 -10.040  -4.639
  845   3HG2  THR 102          3HG2      THR 102  -0.728 -10.116  -5.704
  846    H    GLU 103           H        GLU 103  -1.420 -10.982  -8.370
  847    HA   GLU 103           HA       GLU 103   0.020 -13.268  -9.533
  848   1HB   GLU 103          2HB       GLU 103  -0.900 -14.780  -7.797
  849   2HB   GLU 103          3HB       GLU 103   0.310 -13.695  -7.134
  850   1HG   GLU 103          2HG       GLU 103  -1.206 -12.554  -5.815
  851   2HG   GLU 103          3HG       GLU 103  -2.543 -12.804  -6.923
  852    HHA  HEC 104           HHA      HEC 104   5.296   3.281   1.182
  853    HHB  HEC 104           HHB      HEC 104  -0.327   0.329  -0.057
  854    HHC  HEC 104           HHC      HEC 104  -3.000   6.087  -1.398
  855    HHD  HEC 104           HHD      HEC 104   2.775   8.827  -1.017
  856   1HMA  HEC 104          1HMA      HEC 104   1.860  -1.159   1.803
  857   2HMA  HEC 104          2HMA      HEC 104   1.225  -1.215   0.143
  858   3HMA  HEC 104          3HMA      HEC 104   2.944  -1.461   0.428
  859   1HAA  HEC 104          1HAA      HEC 104   4.582  -0.443   1.677
  860   2HAA  HEC 104          2HAA      HEC 104   5.186   1.133   2.179
  861   1HBA  HEC 104          1HBA      HEC 104   6.130   1.458  -0.109
  862   2HBA  HEC 104          2HBA      HEC 104   5.502  -0.115  -0.587
  863   1HMB  HEC 104          1HMB      HEC 104  -3.919   0.729  -0.535
  864   2HMB  HEC 104          2HMB      HEC 104  -3.117   0.648  -2.116
  865   3HMB  HEC 104          3HMB      HEC 104  -2.347  -0.043  -0.688
  866    HAB  HEC 104           HAB      HEC 104  -4.456   4.707  -1.503
  867   1HBB  HEC 104          1HBB      HEC 104  -4.821   3.942   0.788
  868   2HBB  HEC 104          2HBB      HEC 104  -6.246   3.790  -0.260
  869   3HBB  HEC 104          3HBB      HEC 104  -5.302   2.350   0.162
  870   1HMC  HEC 104          1HMC      HEC 104  -3.236   8.477  -1.195
  871   2HMC  HEC 104          2HMC      HEC 104  -2.386   9.740  -2.082
  872   3HMC  HEC 104          3HMC      HEC 104  -2.784   8.214  -2.890
  873    HAC  HEC 104           HAC      HEC 104   1.547   9.935  -2.277
  874   1HBC  HEC 104          1HBC      HEC 104   0.599  11.004  -0.317
  875   2HBC  HEC 104          2HBC      HEC 104   0.515  12.046  -1.753
  876   3HBC  HEC 104          3HBC      HEC 104  -0.945  11.228  -1.165
  877   1HMD  HEC 104          1HMD      HEC 104   5.963   8.628   0.693
  878   2HMD  HEC 104          2HMD      HEC 104   6.145   8.251  -1.018
  879   3HMD  HEC 104          3HMD      HEC 104   4.788   9.248  -0.455
  880   1HAD  HEC 104          1HAD      HEC 104   6.487   4.995   2.025
  881   2HAD  HEC 104          2HAD      HEC 104   6.287   6.725   2.243
  882   1HBD  HEC 104          1HBD      HEC 104   7.560   6.779  -0.147
  883   2HBD  HEC 104          2HBD      HEC 104   8.149   5.241   0.415
  Start of MODEL   16
    1   1H    THR  -5          H1        THR  -5 -13.298  -5.786  11.597
    2   2H    THR  -5          H2        THR  -5 -14.647  -6.379  12.305
    3   3H    THR  -5          H3        THR  -5 -14.054  -7.075  10.929
    4    HA   THR  -5           HA       THR  -5 -12.731  -7.090  13.553
    5    HB   THR  -5           HB       THR  -5 -12.981  -9.614  13.276
    6    HG1  THR  -5           1HG      THR  -5 -14.501 -10.317  11.916
    7   1HG2  THR  -5          1HG2      THR  -5 -15.565  -8.012  13.592
    8   2HG2  THR  -5          2HG2      THR  -5 -15.258  -9.659  14.172
    9   3HG2  THR  -5          3HG2      THR  -5 -14.364  -8.306  14.877
   10    H    GLU  -4           H        GLU  -4 -12.483  -9.169  10.654
   11    HA   GLU  -4           HA       GLU  -4  -9.699  -8.181  10.195
   12   1HB   GLU  -4          2HB       GLU  -4 -10.725 -11.041  10.286
   13   2HB   GLU  -4          3HB       GLU  -4  -9.121 -10.569   9.715
   14   1HG   GLU  -4          2HG       GLU  -4  -8.448  -9.850  11.911
   15   2HG   GLU  -4          3HG       GLU  -4 -10.095  -9.988  12.543
   16    H    PHE  -3           H        PHE  -3 -11.411 -10.795   8.517
   17    HA   PHE  -3           HA       PHE  -3 -11.690  -9.154   6.047
   18   1HB   PHE  -3          2HB       PHE  -3  -9.394 -10.239   6.386
   19   2HB   PHE  -3          3HB       PHE  -3 -10.191 -11.798   6.337
   20    HD1  PHE  -3           HD1      PHE  -3  -9.764  -8.631   4.367
   21    HD2  PHE  -3           HD2      PHE  -3 -10.279 -12.905   4.249
   22    HE1  PHE  -3           HE1      PHE  -3  -9.334  -8.619   1.920
   23    HE2  PHE  -3           HE2      PHE  -3  -9.843 -12.886   1.797
   24    HZ   PHE  -3           HZ       PHE  -3  -9.363 -10.735   0.639
   25    H    LYS  -2           H        LYS  -2 -13.003 -10.213   4.413
   26    HA   LYS  -2           HA       LYS  -2 -14.206 -12.833   5.055
   27   1HB   LYS  -2          2HB       LYS  -2 -15.674 -10.697   5.867
   28   2HB   LYS  -2          3HB       LYS  -2 -16.169 -10.724   4.177
   29   1HG   LYS  -2          2HG       LYS  -2 -17.771 -12.042   5.334
   30   2HG   LYS  -2          3HG       LYS  -2 -16.731 -13.219   4.533
   31   1HD   LYS  -2          2HD       LYS  -2 -15.409 -13.244   6.820
   32   2HD   LYS  -2          3HD       LYS  -2 -16.844 -12.472   7.479
   33   1HE   LYS  -2          2HE       LYS  -2 -16.655 -15.159   6.039
   34   2HE   LYS  -2          3HE       LYS  -2 -16.880 -14.926   7.775
   35   1HZ   LYS  -2          1HZ       LYS  -2 -18.809 -14.129   5.668
   36   2HZ   LYS  -2          2HZ       LYS  -2 -18.978 -15.412   6.676
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.031 -13.885   7.281
   38    H    ALA  -1           H        ALA  -1 -12.573 -11.325   3.004
   39    HA   ALA  -1           HA       ALA  -1 -12.026 -11.266   0.847
   40   1HB   ALA  -1          1HB       ALA  -1 -14.370 -13.061   0.154
   41   2HB   ALA  -1          2HB       ALA  -1 -13.004 -12.622  -0.880
   42   3HB   ALA  -1          3HB       ALA  -1 -12.731 -13.628   0.558
   43    H    GLY   1           H        GLY   1 -12.465 -10.006  -0.900
   44   1HA   GLY   1          1HA       GLY   1 -15.004  -8.422  -0.987
   45   2HA   GLY   1          2HA       GLY   1 -13.405  -7.701  -1.252
   46    H    SER   2           H        SER   2 -13.692  -7.165  -3.444
   47    HA   SER   2           HA       SER   2 -13.261  -9.555  -5.184
   48   1HB   SER   2          2HB       SER   2 -15.659  -8.885  -5.509
   49   2HB   SER   2          3HB       SER   2 -15.059  -7.319  -6.107
   50    HG   SER   2           HG       SER   2 -15.059  -9.786  -7.309
   51    H    ALA   3           H        ALA   3 -11.815  -9.296  -6.829
   52    HA   ALA   3           HA       ALA   3  -9.806  -7.379  -6.531
   53   1HB   ALA   3          1HB       ALA   3 -10.511  -9.011  -9.009
   54   2HB   ALA   3          2HB       ALA   3  -8.944  -8.239  -8.669
   55   3HB   ALA   3          3HB       ALA   3  -9.519  -9.555  -7.632
   56    H    LYS   4           H        LYS   4 -12.639  -7.197  -8.688
   57    HA   LYS   4           HA       LYS   4 -11.716  -4.702  -9.888
   58   1HB   LYS   4          2HB       LYS   4 -13.124  -6.312 -11.139
   59   2HB   LYS   4          3HB       LYS   4 -14.478  -5.974 -10.047
   60   1HG   LYS   4          2HG       LYS   4 -14.590  -3.664 -10.785
   61   2HG   LYS   4          3HG       LYS   4 -13.091  -3.814 -11.708
   62   1HD   LYS   4          2HD       LYS   4 -15.654  -5.348 -12.328
   63   2HD   LYS   4          3HD       LYS   4 -15.210  -3.791 -13.046
   64   1HE   LYS   4          2HE       LYS   4 -13.069  -4.816 -13.873
   65   2HE   LYS   4          3HE       LYS   4 -13.632  -6.390 -13.288
   66   1HZ   LYS   4          1HZ       LYS   4 -15.000  -4.722 -15.324
   67   2HZ   LYS   4          2HZ       LYS   4 -14.151  -6.091 -15.635
   68   3HZ   LYS   4          3HZ       LYS   4 -15.551  -6.167 -14.776
   69    H    LYS   5           H        LYS   5 -13.417  -5.365  -7.135
   70    HA   LYS   5           HA       LYS   5 -14.771  -2.719  -6.794
   71   1HB   LYS   5          2HB       LYS   5 -14.383  -5.056  -4.881
   72   2HB   LYS   5          3HB       LYS   5 -15.156  -3.535  -4.411
   73   1HG   LYS   5          2HG       LYS   5 -16.950  -3.838  -6.000
   74   2HG   LYS   5          3HG       LYS   5 -16.100  -5.152  -6.799
   75   1HD   LYS   5          2HD       LYS   5 -17.704  -6.283  -5.689
   76   2HD   LYS   5          3HD       LYS   5 -16.350  -6.486  -4.595
   77   1HE   LYS   5          2HE       LYS   5 -18.320  -4.235  -4.115
   78   2HE   LYS   5          3HE       LYS   5 -18.795  -5.908  -3.789
   79   1HZ   LYS   5          1HZ       LYS   5 -16.770  -4.336  -2.356
   80   2HZ   LYS   5          2HZ       LYS   5 -17.816  -5.442  -1.775
   81   3HZ   LYS   5          3HZ       LYS   5 -16.401  -5.816  -2.560
   82    H    GLY   6           H        GLY   6 -12.086  -4.371  -5.087
   83   1HA   GLY   6          1HA       GLY   6 -10.946  -2.031  -3.923
   84   2HA   GLY   6          2HA       GLY   6 -10.068  -3.503  -4.309
   85    H    ALA   7           H        ALA   7 -10.348  -3.459  -7.191
   86    HA   ALA   7           HA       ALA   7  -8.312  -1.706  -7.985
   87   1HB   ALA   7          1HB       ALA   7 -10.511  -2.857  -9.759
   88   2HB   ALA   7          2HB       ALA   7  -8.968  -2.183 -10.300
   89   3HB   ALA   7          3HB       ALA   7  -8.978  -3.664  -9.351
   90    H    THR   8           H        THR   8 -11.882  -1.223  -8.481
   91    HA   THR   8           HA       THR   8 -11.411   1.341  -9.724
   92    HB   THR   8           HB       THR   8 -13.427  -0.181 -10.050
   93    HG1  THR   8           1HG      THR   8 -13.635   2.606  -9.663
   94   1HG2  THR   8          1HG2      THR   8 -14.547   1.431  -7.711
   95   2HG2  THR   8          2HG2      THR   8 -15.446   0.385  -8.822
   96   3HG2  THR   8          3HG2      THR   8 -14.261  -0.326  -7.718
   97    H    LEU   9           H        LEU   9 -11.580   0.431  -6.408
   98    HA   LEU   9           HA       LEU   9 -11.928   3.132  -5.338
   99   1HB   LEU   9          2HB       LEU   9 -10.935   0.497  -4.209
  100   2HB   LEU   9          3HB       LEU   9 -10.810   1.988  -3.285
  101    HG   LEU   9           HG       LEU   9 -13.446   1.154  -4.484
  102   1HD1  LEU   9          1HD1      LEU   9 -12.290   0.233  -1.807
  103   2HD1  LEU   9          2HD1      LEU   9 -13.980   0.030  -2.310
  104   3HD1  LEU   9          3HD1      LEU   9 -12.701  -0.803  -3.195
  105   1HD2  LEU   9          1HD2      LEU   9 -13.217   3.442  -3.503
  106   2HD2  LEU   9          2HD2      LEU   9 -14.374   2.438  -2.620
  107   3HD2  LEU   9          3HD2      LEU   9 -12.754   2.694  -1.946
  108    H    PHE  10           H        PHE  10  -9.132   0.909  -5.433
  109    HA   PHE  10           HA       PHE  10  -7.059   2.652  -4.882
  110   1HB   PHE  10          2HB       PHE  10  -6.663   0.299  -5.006
  111   2HB   PHE  10          3HB       PHE  10  -7.147   0.225  -6.697
  112    HD1  PHE  10           HD1      PHE  10  -5.685   0.998  -8.504
  113    HD2  PHE  10           HD2      PHE  10  -4.388   1.081  -4.392
  114    HE1  PHE  10           HE1      PHE  10  -3.384   1.570  -9.235
  115    HE2  PHE  10           HE2      PHE  10  -2.086   1.677  -5.147
  116    HZ   PHE  10           HZ       PHE  10  -1.610   2.001  -7.551
  117    H    LYS  11           H        LYS  11  -8.420   2.071  -8.110
  118    HA   LYS  11           HA       LYS  11  -6.514   3.635  -9.591
  119   1HB   LYS  11          2HB       LYS  11  -7.949   1.786 -10.448
  120   2HB   LYS  11          3HB       LYS  11  -9.345   2.847 -10.361
  121   1HG   LYS  11          2HG       LYS  11  -8.885   3.751 -12.352
  122   2HG   LYS  11          3HG       LYS  11  -7.231   4.120 -11.935
  123   1HD   LYS  11          2HD       LYS  11  -8.160   1.374 -12.888
  124   2HD   LYS  11          3HD       LYS  11  -7.538   2.650 -13.946
  125   1HE   LYS  11          2HE       LYS  11  -5.394   2.651 -12.622
  126   2HE   LYS  11          3HE       LYS  11  -5.989   1.263 -11.713
  127   1HZ   LYS  11          1HZ       LYS  11  -5.411   1.325 -14.637
  128   2HZ   LYS  11          2HZ       LYS  11  -4.549   0.556 -13.517
  129   3HZ   LYS  11          3HZ       LYS  11  -6.018   0.014 -13.851
  130    H    THR  12           H        THR  12  -9.088   4.752  -7.603
  131    HA   THR  12           HA       THR  12  -8.386   7.537  -8.400
  132    HB   THR  12           HB       THR  12 -10.595   6.866  -9.368
  133    HG1  THR  12           1HG      THR  12 -10.365   8.945  -7.485
  134   1HG2  THR  12          1HG2      THR  12 -11.604   7.049  -6.497
  135   2HG2  THR  12          2HG2      THR  12 -12.558   6.820  -7.973
  136   3HG2  THR  12          3HG2      THR  12 -11.464   5.540  -7.423
  137    H    ARG  13           H        ARG  13  -7.935   5.500  -6.038
  138    HA   ARG  13           HA       ARG  13  -8.240   7.556  -3.864
  139   1HB   ARG  13          2HB       ARG  13  -8.124   4.514  -3.716
  140   2HB   ARG  13          3HB       ARG  13  -8.125   5.547  -2.303
  141   1HG   ARG  13          2HG       ARG  13 -10.396   5.749  -4.315
  142   2HG   ARG  13          3HG       ARG  13 -10.346   4.431  -3.156
  143   1HD   ARG  13          2HD       ARG  13  -9.868   6.992  -1.834
  144   2HD   ARG  13          3HD       ARG  13 -11.343   7.041  -2.801
  145    HE   ARG  13           HE       ARG  13 -11.383   4.602  -1.327
  146   1HH1  ARG  13          1HH2      ARG  13 -11.575   8.000  -0.649
  147   2HH1  ARG  13          2HH2      ARG  13 -12.206   7.767   0.953
  148   1HH2  ARG  13          1HH1      ARG  13 -12.498   4.321   0.714
  149   2HH2  ARG  13          2HH1      ARG  13 -12.655   5.730   1.677
  150    H    CYS  14           H        CYS  14  -6.002   5.438  -5.464
  151    HA   CYS  14           HA       CYS  14  -3.731   6.366  -3.730
  152   1HB   CYS  14          2HB       CYS  14  -4.009   3.674  -4.992
  153   2HB   CYS  14          3HB       CYS  14  -2.915   4.123  -3.697
  154    H    LEU  15           H        LEU  15  -4.697   5.185  -7.009
  155    HA   LEU  15           HA       LEU  15  -2.210   5.135  -8.241
  156   1HB   LEU  15          2HB       LEU  15  -4.448   4.335  -9.103
  157   2HB   LEU  15          3HB       LEU  15  -4.822   6.016  -9.495
  158    HG   LEU  15           HG       LEU  15  -2.566   5.894 -10.912
  159   1HD1  LEU  15          1HD1      LEU  15  -3.370   2.965 -10.998
  160   2HD1  LEU  15          2HD1      LEU  15  -1.983   3.750 -11.774
  161   3HD1  LEU  15          3HD1      LEU  15  -2.011   3.554 -10.016
  162   1HD2  LEU  15          1HD2      LEU  15  -4.796   6.212 -11.853
  163   2HD2  LEU  15          2HD2      LEU  15  -3.842   5.087 -12.841
  164   3HD2  LEU  15          3HD2      LEU  15  -5.097   4.473 -11.734
  165    H    GLN  16           H        GLN  16  -4.067   8.011  -7.435
  166    HA   GLN  16           HA       GLN  16  -2.711  10.011  -8.867
  167   1HB   GLN  16          2HB       GLN  16  -3.296  11.490  -6.984
  168   2HB   GLN  16          3HB       GLN  16  -4.637  10.492  -7.542
  169   1HG   GLN  16          2HG       GLN  16  -4.269   8.943  -5.595
  170   2HG   GLN  16          3HG       GLN  16  -2.969  10.003  -5.033
  171   1HE2  GLN  16          2HE2      GLN  16  -3.818  11.098  -3.179
  172   2HE2  GLN  16          1HE2      GLN  16  -5.428  11.846  -3.279
  173    H    CYS  17           H        CYS  17  -1.377   7.989  -6.351
  174    HA   CYS  17           HA       CYS  17   1.232   9.435  -6.631
  175   1HB   CYS  17          2HB       CYS  17   0.170   7.923  -4.236
  176   2HB   CYS  17          3HB       CYS  17   1.762   8.630  -4.354
  177    H    HIS  18           H        HIS  18  -0.330   6.330  -6.939
  178    HA   HIS  18           HA       HIS  18   2.295   4.858  -6.850
  179   1HB   HIS  18          1HB       HIS  18  -0.474   4.262  -5.746
  180   2HB   HIS  18          2HB       HIS  18   0.593   2.938  -6.143
  181    HD1  HIS  18           HD1      HIS  18   3.214   3.271  -4.985
  182    HD2  HIS  18           HD2      HIS  18  -0.264   4.897  -3.254
  183    HE1  HIS  18           HE1      HIS  18   3.704   3.575  -2.492
  184    H    THR  19           H        THR  19   2.345   2.761  -7.844
  185    HA   THR  19           HA       THR  19   0.229   2.096  -9.806
  186    HB   THR  19           HB       THR  19   1.858   1.276 -11.408
  187    HG1  THR  19           1HG      THR  19   3.779   1.073 -10.722
  188   1HG2  THR  19          1HG2      THR  19   2.338   4.227 -10.804
  189   2HG2  THR  19          2HG2      THR  19   2.604   3.419 -12.345
  190   3HG2  THR  19          3HG2      THR  19   0.954   3.578 -11.713
  191    H    VAL  20           H        VAL  20   0.416  -0.231 -10.392
  192    HA   VAL  20           HA       VAL  20   1.705  -2.001  -8.412
  193    HB   VAL  20           HB       VAL  20  -1.214  -2.542  -9.040
  194   1HG1  VAL  20          1HG1      VAL  20   0.533  -3.335  -6.674
  195   2HG1  VAL  20          2HG1      VAL  20  -1.106  -3.870  -7.000
  196   3HG1  VAL  20          3HG1      VAL  20   0.193  -4.361  -8.094
  197   1HG2  VAL  20          1HG2      VAL  20  -1.386  -0.416  -7.968
  198   2HG2  VAL  20          2HG2      VAL  20  -1.853  -1.664  -6.802
  199   3HG2  VAL  20          3HG2      VAL  20  -0.255  -0.895  -6.684
  200    H    GLU  21           H        GLU  21  -0.413  -1.686 -11.216
  201    HA   GLU  21           HA       GLU  21   0.046  -4.107 -12.504
  202   1HB   GLU  21          2HB       GLU  21  -0.343  -1.552 -13.998
  203   2HB   GLU  21          3HB       GLU  21  -0.959  -3.120 -14.405
  204   1HG   GLU  21          2HG       GLU  21  -2.755  -3.049 -12.920
  205   2HG   GLU  21          3HG       GLU  21  -2.043  -1.883 -11.848
  206    H    LYS  22           H        LYS  22   1.322  -4.665 -14.188
  207    HA   LYS  22           HA       LYS  22   3.974  -4.255 -13.225
  208   1HB   LYS  22          2HB       LYS  22   2.777  -6.424 -13.769
  209   2HB   LYS  22          3HB       LYS  22   3.158  -6.128 -15.473
  210   1HG   LYS  22          2HG       LYS  22   5.605  -6.015 -14.826
  211   2HG   LYS  22          3HG       LYS  22   5.142  -6.379 -13.152
  212   1HD   LYS  22          2HD       LYS  22   4.035  -8.510 -14.011
  213   2HD   LYS  22          3HD       LYS  22   4.637  -8.078 -15.613
  214   1HE   LYS  22          2HE       LYS  22   6.363  -9.503 -14.877
  215   2HE   LYS  22          3HE       LYS  22   6.982  -7.921 -14.374
  216   1HZ   LYS  22          1HZ       LYS  22   5.659  -9.956 -12.673
  217   2HZ   LYS  22          2HZ       LYS  22   7.166  -9.324 -12.478
  218   3HZ   LYS  22          3HZ       LYS  22   5.805  -8.438 -12.168
  219    H    GLY  23           H        GLY  23   4.589  -2.228 -13.847
  220   1HA   GLY  23          1HA       GLY  23   6.618  -1.682 -15.424
  221   2HA   GLY  23          2HA       GLY  23   5.409  -1.788 -16.702
  222    H    GLY  24           H        GLY  24   3.730  -0.505 -14.122
  223   1HA   GLY  24          1HA       GLY  24   3.696   2.226 -14.994
  224   2HA   GLY  24          2HA       GLY  24   3.173   1.589 -13.429
  225    HA   PRO  25           HA       PRO  25   7.826   2.969 -13.283
  226   1HB   PRO  25          2HB       PRO  25   8.087   5.683 -13.740
  227   2HB   PRO  25          3HB       PRO  25   8.284   4.426 -14.998
  228   1HG   PRO  25          2HG       PRO  25   5.816   6.073 -14.372
  229   2HG   PRO  25          3HG       PRO  25   6.556   5.749 -15.974
  230   1HD   PRO  25          2HD       PRO  25   4.431   4.317 -15.083
  231   2HD   PRO  25          3HD       PRO  25   5.750   3.518 -15.994
  232    H    HIS  26           H        HIS  26   8.721   3.708 -11.418
  233    HA   HIS  26           HA       HIS  26   7.223   4.271  -9.089
  234   1HB   HIS  26          2HB       HIS  26  10.126   4.845  -9.827
  235   2HB   HIS  26          3HB       HIS  26   9.439   5.127  -8.233
  236    HD1  HIS  26           HD1      HIS  26   7.921   1.948  -9.080
  237    HD2  HIS  26           HD2      HIS  26  11.748   3.316  -8.037
  238    HE1  HIS  26           HE1      HIS  26   9.090   0.062  -7.690
  239    H    LYS  27           H        LYS  27   6.370   6.012  -8.228
  240    HA   LYS  27           HA       LYS  27   6.704   8.653  -9.565
  241   1HB   LYS  27          2HB       LYS  27   4.591   6.912  -9.995
  242   2HB   LYS  27          3HB       LYS  27   3.959   7.818  -8.655
  243   1HG   LYS  27          2HG       LYS  27   3.217   8.969 -10.558
  244   2HG   LYS  27          3HG       LYS  27   4.590   9.949 -10.019
  245   1HD   LYS  27          2HD       LYS  27   6.048   8.730 -11.688
  246   2HD   LYS  27          3HD       LYS  27   4.640   7.823 -12.233
  247   1HE   LYS  27          2HE       LYS  27   4.975  10.858 -12.341
  248   2HE   LYS  27          3HE       LYS  27   5.229   9.756 -13.700
  249   1HZ   LYS  27          1HZ       LYS  27   2.646  10.097 -12.275
  250   2HZ   LYS  27          2HZ       LYS  27   3.010  10.768 -13.731
  251   3HZ   LYS  27          3HZ       LYS  27   2.894   9.140 -13.584
  252    H    VAL  28           H        VAL  28   4.375   9.378  -7.605
  253    HA   VAL  28           HA       VAL  28   5.974  10.540  -5.494
  254    HB   VAL  28           HB       VAL  28   2.994  10.028  -5.459
  255   1HG1  VAL  28          1HG1      VAL  28   4.690  12.094  -3.999
  256   2HG1  VAL  28          2HG1      VAL  28   2.911  12.021  -3.983
  257   3HG1  VAL  28          3HG1      VAL  28   3.836  10.721  -3.252
  258   1HG2  VAL  28          1HG2      VAL  28   3.508  11.299  -7.484
  259   2HG2  VAL  28          2HG2      VAL  28   2.748  12.349  -6.298
  260   3HG2  VAL  28          3HG2      VAL  28   4.508  12.430  -6.541
  261    H    GLY  29           H        GLY  29   4.475   7.385  -5.841
  262   1HA   GLY  29          1HA       GLY  29   6.280   6.479  -3.700
  263   2HA   GLY  29          2HA       GLY  29   4.615   5.882  -3.678
  264    HA   PRO  30           HA       PRO  30   7.466   3.359  -6.504
  265   1HB   PRO  30          2HB       PRO  30   7.662   1.004  -5.122
  266   2HB   PRO  30          3HB       PRO  30   8.652   2.447  -4.748
  267   1HG   PRO  30          2HG       PRO  30   6.061   1.575  -3.417
  268   2HG   PRO  30          3HG       PRO  30   7.613   2.006  -2.630
  269   1HD   PRO  30          2HD       PRO  30   5.630   3.823  -2.884
  270   2HD   PRO  30          3HD       PRO  30   7.320   4.301  -3.094
  271    H    ASN  31           H        ASN  31   7.155   1.147  -7.473
  272    HA   ASN  31           HA       ASN  31   4.335   0.668  -8.267
  273   1HB   ASN  31          2HB       ASN  31   6.015   0.825 -10.076
  274   2HB   ASN  31          3HB       ASN  31   6.924  -0.522  -9.371
  275   1HD2  ASN  31          2HD2      ASN  31   6.051  -2.652  -9.530
  276   2HD2  ASN  31          1HD2      ASN  31   4.542  -2.928 -10.454
  277    H    LEU  32           H        LEU  32   3.263  -0.522  -6.835
  278    HA   LEU  32           HA       LEU  32   4.609  -1.794  -4.697
  279   1HB   LEU  32          2HB       LEU  32   1.683  -1.761  -5.537
  280   2HB   LEU  32          3HB       LEU  32   2.239  -2.351  -3.978
  281    HG   LEU  32           HG       LEU  32   2.623   0.517  -4.970
  282   1HD1  LEU  32          1HD1      LEU  32   0.542  -0.654  -3.085
  283   2HD1  LEU  32          2HD1      LEU  32   0.821   1.078  -3.345
  284   3HD1  LEU  32          3HD1      LEU  32   0.249   0.077  -4.682
  285   1HD2  LEU  32          1HD2      LEU  32   4.259  -0.128  -3.236
  286   2HD2  LEU  32          2HD2      LEU  32   3.075   1.011  -2.582
  287   3HD2  LEU  32          3HD2      LEU  32   2.936  -0.713  -2.202
  288    H    HIS  33           H        HIS  33   2.480  -3.274  -7.081
  289    HA   HIS  33           HA       HIS  33   2.045  -5.628  -7.524
  290   1HB   HIS  33          2HB       HIS  33   3.863  -4.528  -8.966
  291   2HB   HIS  33          3HB       HIS  33   5.042  -5.382  -8.014
  292    HD1  HIS  33           HD1      HIS  33   1.761  -7.080  -9.315
  293    HD2  HIS  33           HD2      HIS  33   5.864  -6.654 -10.182
  294    HE1  HIS  33           HE1      HIS  33   2.238  -8.636 -11.237
  295    H    GLY  34           H        GLY  34   5.093  -6.630  -6.687
  296   1HA   GLY  34          1HA       GLY  34   4.082  -8.547  -4.663
  297   2HA   GLY  34          2HA       GLY  34   5.692  -8.554  -5.375
  298    H    ILE  35           H        ILE  35   3.895  -6.042  -3.465
  299    HA   ILE  35           HA       ILE  35   6.119  -5.760  -1.596
  300    HB   ILE  35           HB       ILE  35   4.788  -4.391  -0.235
  301   1HG1  ILE  35          2HG1      ILE  35   2.641  -5.397  -0.089
  302   2HG1  ILE  35          3HG1      ILE  35   2.483  -3.742  -0.626
  303   1HG2  ILE  35          1HG2      ILE  35   4.153  -3.585  -3.055
  304   2HG2  ILE  35          2HG2      ILE  35   4.395  -2.542  -1.642
  305   3HG2  ILE  35          3HG2      ILE  35   5.758  -3.449  -2.314
  306   1HD1  ILE  35          1HD1      ILE  35   2.143  -6.212  -2.364
  307   2HD1  ILE  35          2HD1      ILE  35   0.889  -5.116  -1.786
  308   3HD1  ILE  35          3HD1      ILE  35   2.076  -4.537  -2.964
  309    H    PHE  36           H        PHE  36   3.319  -7.856  -1.755
  310    HA   PHE  36           HA       PHE  36   3.095  -8.476   0.979
  311   1HB   PHE  36          2HB       PHE  36   2.220  -9.946  -1.518
  312   2HB   PHE  36          3HB       PHE  36   1.930 -10.585   0.100
  313    HD1  PHE  36           HD1      PHE  36   0.870  -8.957   1.868
  314    HD2  PHE  36           HD2      PHE  36   0.578  -8.410  -2.408
  315    HE1  PHE  36           HE1      PHE  36  -0.968  -7.362   2.199
  316    HE2  PHE  36           HE2      PHE  36  -1.324  -6.869  -2.066
  317    HZ   PHE  36           HZ       PHE  36  -2.106  -6.341   0.252
  318    H    GLY  37           H        GLY  37   4.250  -9.434   2.287
  319   1HA   GLY  37          1HA       GLY  37   5.757 -10.969   3.269
  320   2HA   GLY  37          2HA       GLY  37   6.023 -11.726   1.700
  321    H    ARG  38           H        ARG  38   6.462  -8.462   1.179
  322    HA   ARG  38           HA       ARG  38   9.401  -8.597   1.526
  323   1HB   ARG  38          2HB       ARG  38   8.148  -7.697  -0.583
  324   2HB   ARG  38          3HB       ARG  38   7.841  -6.265   0.392
  325   1HG   ARG  38          2HG       ARG  38   9.698  -5.889  -1.029
  326   2HG   ARG  38          3HG       ARG  38  10.287  -5.911   0.624
  327   1HD   ARG  38          2HD       ARG  38  11.019  -8.256   0.328
  328   2HD   ARG  38          3HD       ARG  38  10.421  -8.264  -1.334
  329    HE   ARG  38           HE       ARG  38  12.867  -6.976  -0.298
  330   1HH1  ARG  38          1HH2      ARG  38  10.561  -6.824  -2.893
  331   2HH1  ARG  38          2HH2      ARG  38  11.598  -5.815  -3.883
  332   1HH2  ARG  38          1HH1      ARG  38  14.177  -5.898  -1.602
  333   2HH2  ARG  38          2HH1      ARG  38  13.510  -5.130  -3.013
  334    H    HIS  39           H        HIS  39  10.424  -6.713   2.369
  335    HA   HIS  39           HA       HIS  39   9.203  -5.801   4.936
  336   1HB   HIS  39          2HB       HIS  39  12.099  -5.832   3.997
  337   2HB   HIS  39          3HB       HIS  39  11.519  -5.152   5.525
  338    HD1  HIS  39           HD1      HIS  39  12.258  -8.546   3.950
  339    HD2  HIS  39           HD2      HIS  39  10.397  -6.846   7.321
  340    HE1  HIS  39           HE1      HIS  39  11.766 -10.481   5.556
  341    H    SER  40           H        SER  40   8.587  -3.769   5.177
  342    HA   SER  40           HA       SER  40   8.229  -1.980   3.138
  343   1HB   SER  40          2HB       SER  40   7.383  -0.482   4.701
  344   2HB   SER  40          3HB       SER  40   7.080  -2.079   5.394
  345    HG   SER  40           HG       SER  40   8.910  -0.078   6.096
  346    H    GLY  41           H        GLY  41   9.225  -0.377   2.187
  347   1HA   GLY  41          1HA       GLY  41  10.969   1.158   1.791
  348   2HA   GLY  41          2HA       GLY  41  11.851   0.594   3.177
  349    H    GLN  42           H        GLN  42  10.771  -1.503   0.478
  350    HA   GLN  42           HA       GLN  42  13.614  -1.787  -0.403
  351   1HB   GLN  42          2HB       GLN  42  11.764  -4.079   0.280
  352   2HB   GLN  42          3HB       GLN  42  13.315  -4.186  -0.550
  353   1HG   GLN  42          2HG       GLN  42  14.383  -3.035   1.420
  354   2HG   GLN  42          3HG       GLN  42  12.906  -3.404   2.303
  355   1HE2  GLN  42          2HE2      GLN  42  14.965  -4.663   3.480
  356   2HE2  GLN  42          1HE2      GLN  42  15.179  -6.302   2.877
  357    H    ALA  43           H        ALA  43  11.267  -0.470  -1.870
  358    HA   ALA  43           HA       ALA  43  10.952  -2.019  -4.288
  359   1HB   ALA  43          1HB       ALA  43  10.682   0.961  -3.778
  360   2HB   ALA  43          2HB       ALA  43  10.214   0.143  -5.280
  361   3HB   ALA  43          3HB       ALA  43   9.391  -0.272  -3.791
  362    H    GLU  44           H        GLU  44  11.630  -0.589  -6.414
  363    HA   GLU  44           HA       GLU  44  14.210  -1.695  -6.867
  364   1HB   GLU  44          2HB       GLU  44  12.008  -1.608  -8.238
  365   2HB   GLU  44          3HB       GLU  44  12.585  -0.067  -8.848
  366   1HG   GLU  44          2HG       GLU  44  14.497  -1.110  -9.879
  367   2HG   GLU  44          3HG       GLU  44  14.242  -2.617  -8.986
  368    H    GLY  45           H        GLY  45  15.494  -0.378  -5.440
  369   1HA   GLY  45          1HA       GLY  45  17.320   1.112  -5.260
  370   2HA   GLY  45          2HA       GLY  45  16.950   1.729  -6.869
  371    H    TYR  46           H        TYR  46  14.133   1.968  -5.325
  372    HA   TYR  46           HA       TYR  46  14.218   4.821  -5.103
  373   1HB   TYR  46          2HB       TYR  46  12.467   3.404  -6.082
  374   2HB   TYR  46          3HB       TYR  46  11.984   2.802  -4.543
  375    HD1  TYR  46           HD1      TYR  46  11.517   5.345  -7.013
  376    HD2  TYR  46           HD2      TYR  46  11.314   4.693  -2.764
  377    HE1  TYR  46           HE1      TYR  46   9.771   7.120  -6.837
  378    HE2  TYR  46           HE2      TYR  46   9.543   6.463  -2.597
  379    HH   TYR  46           HH       TYR  46   8.222   8.085  -5.489
  380    H    SER  47           H        SER  47  14.595   6.085  -3.420
  381    HA   SER  47           HA       SER  47  15.108   4.945  -0.775
  382   1HB   SER  47          2HB       SER  47  16.063   7.174  -0.302
  383   2HB   SER  47          3HB       SER  47  16.769   6.397  -1.732
  384    HG   SER  47           HG       SER  47  14.623   8.238  -1.828
  385    H    TYR  48           H        TYR  48  13.446   4.663   0.474
  386    HA   TYR  48           HA       TYR  48  11.087   6.307   0.787
  387   1HB   TYR  48          2HB       TYR  48  12.344   4.035   2.403
  388   2HB   TYR  48          3HB       TYR  48  10.735   4.677   2.680
  389    HD1  TYR  48           HD1      TYR  48   8.898   3.846   1.576
  390    HD2  TYR  48           HD2      TYR  48  12.827   2.929   0.050
  391    HE1  TYR  48           HE1      TYR  48   7.938   2.052   0.172
  392    HE2  TYR  48           HE2      TYR  48  11.862   1.251  -1.441
  393    HH   TYR  48           HH       TYR  48   8.647  -0.043  -0.935
  394    H    THR  49           H        THR  49  10.456   6.848   3.167
  395    HA   THR  49           HA       THR  49  12.356   8.613   4.468
  396    HB   THR  49           HB       THR  49  10.884   8.534   6.435
  397    HG1  THR  49           1HG      THR  49   9.290   6.700   4.930
  398   1HG2  THR  49          1HG2      THR  49   9.283   8.845   3.893
  399   2HG2  THR  49          2HG2      THR  49   8.965   9.597   5.479
  400   3HG2  THR  49          3HG2      THR  49  10.395  10.067   4.546
  401    H    ASP  50           H        ASP  50  13.691   8.383   6.229
  402    HA   ASP  50           HA       ASP  50  14.791   5.912   7.082
  403   1HB   ASP  50          2HB       ASP  50  15.879   8.039   7.570
  404   2HB   ASP  50          3HB       ASP  50  14.537   8.533   8.607
  405    H    ALA  51           H        ALA  51  12.020   7.755   8.456
  406    HA   ALA  51           HA       ALA  51  11.364   6.063  10.574
  407   1HB   ALA  51          1HB       ALA  51   9.464   7.550   8.707
  408   2HB   ALA  51          2HB       ALA  51   9.082   6.963  10.344
  409   3HB   ALA  51          3HB       ALA  51  10.288   8.239  10.126
  410    H    ASN  52           H        ASN  52  10.805   5.431   7.132
  411    HA   ASN  52           HA       ASN  52   9.256   2.974   7.634
  412   1HB   ASN  52          2HB       ASN  52   8.742   4.611   5.852
  413   2HB   ASN  52          3HB       ASN  52  10.270   4.211   5.054
  414   1HD2  ASN  52          2HD2      ASN  52   8.019   4.042   3.707
  415   2HD2  ASN  52          1HD2      ASN  52   7.672   2.300   3.368
  416    H    ILE  53           H        ILE  53  12.534   3.818   6.451
  417    HA   ILE  53           HA       ILE  53  13.450   1.111   6.053
  418    HB   ILE  53           HB       ILE  53  14.873   3.643   6.863
  419   1HG1  ILE  53          2HG1      ILE  53  14.861   2.266   4.126
  420   2HG1  ILE  53          3HG1      ILE  53  13.676   3.486   4.551
  421   1HG2  ILE  53          1HG2      ILE  53  16.081   1.003   5.916
  422   2HG2  ILE  53          2HG2      ILE  53  16.990   2.522   6.082
  423   3HG2  ILE  53          3HG2      ILE  53  16.307   1.761   7.510
  424   1HD1  ILE  53          1HD1      ILE  53  16.668   3.954   4.369
  425   2HD1  ILE  53          2HD1      ILE  53  15.403   4.537   3.274
  426   3HD1  ILE  53          3HD1      ILE  53  15.478   5.151   4.936
  427    H    LYS  54           H        LYS  54  13.579   3.214   8.917
  428    HA   LYS  54           HA       LYS  54  14.281   1.045  10.757
  429   1HB   LYS  54          2HB       LYS  54  13.360   3.905  11.294
  430   2HB   LYS  54          3HB       LYS  54  14.034   2.783  12.477
  431   1HG   LYS  54          2HG       LYS  54  16.126   2.666  10.908
  432   2HG   LYS  54          3HG       LYS  54  15.423   4.046  10.078
  433   1HD   LYS  54          2HD       LYS  54  16.706   5.221  11.513
  434   2HD   LYS  54          3HD       LYS  54  15.332   5.049  12.588
  435   1HE   LYS  54          2HE       LYS  54  17.914   3.429  12.465
  436   2HE   LYS  54          3HE       LYS  54  17.437   4.562  13.735
  437   1HZ   LYS  54          1HZ       LYS  54  16.088   2.001  13.112
  438   2HZ   LYS  54          2HZ       LYS  54  17.055   2.264  14.417
  439   3HZ   LYS  54          3HZ       LYS  54  15.605   3.045  14.279
  440    H    LYS  55           H        LYS  55  11.556   1.496   9.124
  441    HA   LYS  55           HA       LYS  55   9.786   0.392  11.284
  442   1HB   LYS  55          2HB       LYS  55   8.774   2.004   9.573
  443   2HB   LYS  55          3HB       LYS  55   9.014   0.755   8.369
  444   1HG   LYS  55          2HG       LYS  55   6.857   0.442   8.871
  445   2HG   LYS  55          3HG       LYS  55   7.601  -0.774   9.894
  446   1HD   LYS  55          2HD       LYS  55   7.071   1.990  11.004
  447   2HD   LYS  55          3HD       LYS  55   5.705   0.899  10.753
  448   1HE   LYS  55          2HE       LYS  55   6.516  -0.685  12.301
  449   2HE   LYS  55          3HE       LYS  55   8.118   0.071  12.393
  450   1HZ   LYS  55          1HZ       LYS  55   5.673   1.566  13.105
  451   2HZ   LYS  55          2HZ       LYS  55   6.475   0.648  14.239
  452   3HZ   LYS  55          3HZ       LYS  55   7.202   1.937  13.492
  453    H    ASN  56           H        ASN  56  11.010  -0.516   8.087
  454    HA   ASN  56           HA       ASN  56  10.872  -2.452   6.914
  455   1HB   ASN  56          2HB       ASN  56  13.058  -2.327   8.676
  456   2HB   ASN  56          3HB       ASN  56  12.518  -3.988   8.795
  457   1HD2  ASN  56          2HD2      ASN  56  12.561  -1.703   5.895
  458   2HD2  ASN  56          1HD2      ASN  56  13.663  -2.783   5.065
  459    H    VAL  57           H        VAL  57   8.554  -2.279   7.749
  460    HA   VAL  57           HA       VAL  57   7.548  -4.602   9.247
  461    HB   VAL  57           HB       VAL  57   6.433  -2.117   8.102
  462   1HG1  VAL  57          1HG1      VAL  57   4.693  -4.605   8.068
  463   2HG1  VAL  57          2HG1      VAL  57   4.086  -2.934   8.058
  464   3HG1  VAL  57          3HG1      VAL  57   5.067  -3.519   6.716
  465   1HG2  VAL  57          1HG2      VAL  57   6.826  -2.769  10.546
  466   2HG2  VAL  57          2HG2      VAL  57   5.215  -2.135  10.159
  467   3HG2  VAL  57          3HG2      VAL  57   5.457  -3.877  10.377
  468    H    LEU  58           H        LEU  58   7.342  -6.506   8.565
  469    HA   LEU  58           HA       LEU  58   7.462  -7.328   5.801
  470   1HB   LEU  58          2HB       LEU  58   8.108  -8.660   7.833
  471   2HB   LEU  58          3HB       LEU  58   6.395  -8.869   8.203
  472    HG   LEU  58           HG       LEU  58   7.622  -9.673   5.521
  473   1HD1  LEU  58          1HD1      LEU  58   7.271 -11.389   8.006
  474   2HD1  LEU  58          2HD1      LEU  58   7.842 -11.939   6.414
  475   3HD1  LEU  58          3HD1      LEU  58   8.824 -10.805   7.355
  476   1HD2  LEU  58          1HD2      LEU  58   5.180  -9.673   5.429
  477   2HD2  LEU  58          2HD2      LEU  58   5.712 -11.347   5.557
  478   3HD2  LEU  58          3HD2      LEU  58   5.072 -10.513   6.983
  479    H    TRP  59           H        TRP  59   5.914  -6.623   4.467
  480    HA   TRP  59           HA       TRP  59   3.217  -5.970   5.196
  481   1HB   TRP  59          2HB       TRP  59   4.423  -6.593   2.508
  482   2HB   TRP  59          3HB       TRP  59   2.835  -5.874   2.735
  483    HD1  TRP  59           HD1      TRP  59   6.070  -4.793   1.750
  484    HE1  TRP  59           HE1      TRP  59   6.442  -2.244   2.196
  485    HE3  TRP  59           HE3      TRP  59   2.387  -4.024   5.192
  486    HZ2  TRP  59           HZ2      TRP  59   5.368  -0.249   3.895
  487    HZ3  TRP  59           HZ3      TRP  59   2.083  -1.818   6.246
  488    HH2  TRP  59           HH2      TRP  59   3.606   0.092   5.641
  489    H    ASP  60           H        ASP  60   2.589  -7.762   6.427
  490    HA   ASP  60           HA       ASP  60   1.293 -10.040   5.067
  491   1HB   ASP  60          2HB       ASP  60   0.373  -8.793   7.670
  492   2HB   ASP  60          3HB       ASP  60   0.199 -10.445   7.137
  493    H    GLU  61           H        GLU  61  -1.153 -10.146   4.703
  494    HA   GLU  61           HA       GLU  61  -2.423  -7.824   3.722
  495   1HB   GLU  61          2HB       GLU  61  -3.694 -10.305   4.958
  496   2HB   GLU  61          3HB       GLU  61  -4.555  -9.038   4.100
  497   1HG   GLU  61          2HG       GLU  61  -4.358 -10.480   2.393
  498   2HG   GLU  61          3HG       GLU  61  -2.888  -9.558   2.120
  499    H    ASN  62           H        ASN  62  -2.673  -9.136   7.031
  500    HA   ASN  62           HA       ASN  62  -4.369  -7.086   8.103
  501   1HB   ASN  62          2HB       ASN  62  -3.605  -8.053  10.268
  502   2HB   ASN  62          3HB       ASN  62  -4.230  -9.246   9.138
  503   1HD2  ASN  62          2HD2      ASN  62  -2.834 -11.052   8.590
  504   2HD2  ASN  62          1HD2      ASN  62  -1.134 -10.975   9.068
  505    H    ASN  63           H        ASN  63  -0.806  -7.447   8.344
  506    HA   ASN  63           HA       ASN  63  -0.215  -5.109   9.728
  507   1HB   ASN  63          2HB       ASN  63   1.036  -7.264   9.241
  508   2HB   ASN  63          3HB       ASN  63   1.520  -6.564   7.679
  509   1HD2  ASN  63          2HD2      ASN  63   3.253  -7.536   9.440
  510   2HD2  ASN  63          1HD2      ASN  63   4.236  -6.221  10.110
  511    H    MET  64           H        MET  64  -0.319  -5.550   6.156
  512    HA   MET  64           HA       MET  64   0.338  -2.803   5.531
  513   1HB   MET  64          2HB       MET  64   0.309  -4.872   3.927
  514   2HB   MET  64          3HB       MET  64  -1.422  -4.585   3.875
  515   1HG   MET  64          2HG       MET  64  -0.898  -2.193   3.141
  516   2HG   MET  64          3HG       MET  64   0.802  -2.662   3.104
  517   1HE   MET  64          1HE       MET  64  -2.707  -2.925   1.568
  518   2HE   MET  64          2HE       MET  64  -2.522  -4.076   0.222
  519   3HE   MET  64          3HE       MET  64  -2.459  -4.654   1.904
  520    H    SER  65           H        SER  65  -2.739  -4.390   6.380
  521    HA   SER  65           HA       SER  65  -4.246  -1.961   5.781
  522   1HB   SER  65          2HB       SER  65  -6.185  -3.121   6.895
  523   2HB   SER  65          3HB       SER  65  -5.585  -3.673   5.335
  524    HG   SER  65           HG       SER  65  -4.545  -5.403   6.409
  525    H    GLU  66           H        GLU  66  -2.711  -3.143   8.740
  526    HA   GLU  66           HA       GLU  66  -3.794  -1.104  10.480
  527   1HB   GLU  66          2HB       GLU  66  -2.458  -2.986  11.324
  528   2HB   GLU  66          3HB       GLU  66  -1.043  -2.399  10.454
  529   1HG   GLU  66          2HG       GLU  66  -0.777  -1.800  12.739
  530   2HG   GLU  66          3HG       GLU  66  -1.057  -0.312  11.852
  531    H    TYR  67           H        TYR  67  -0.840  -1.074   8.447
  532    HA   TYR  67           HA       TYR  67  -0.193   1.668   8.774
  533   1HB   TYR  67          2HB       TYR  67   1.289   0.010   7.700
  534   2HB   TYR  67          3HB       TYR  67   0.190  -0.114   6.343
  535    HD1  TYR  67           HD1      TYR  67   1.130   0.834   4.406
  536    HD2  TYR  67           HD2      TYR  67   1.656   2.778   8.201
  537    HE1  TYR  67           HE1      TYR  67   2.446   2.626   3.302
  538    HE2  TYR  67           HE2      TYR  67   2.937   4.619   7.093
  539    HH   TYR  67           HH       TYR  67   3.771   4.364   3.647
  540    H    LEU  68           H        LEU  68  -2.460   0.200   6.414
  541    HA   LEU  68           HA       LEU  68  -3.263   2.776   5.315
  542   1HB   LEU  68          2HB       LEU  68  -4.562   0.039   5.285
  543   2HB   LEU  68          3HB       LEU  68  -5.242   1.418   4.452
  544    HG   LEU  68           HG       LEU  68  -2.392   0.491   3.882
  545   1HD1  LEU  68          1HD1      LEU  68  -4.972  -0.320   2.475
  546   2HD1  LEU  68          2HD1      LEU  68  -3.319  -0.649   1.900
  547   3HD1  LEU  68          3HD1      LEU  68  -3.893  -1.388   3.403
  548   1HD2  LEU  68          1HD2      LEU  68  -3.027   2.788   3.135
  549   2HD2  LEU  68          2HD2      LEU  68  -2.738   1.694   1.786
  550   3HD2  LEU  68          3HD2      LEU  68  -4.405   2.100   2.251
  551    H    THR  69           H        THR  69  -4.029   1.349   8.360
  552    HA   THR  69           HA       THR  69  -6.562   2.817   8.700
  553    HB   THR  69           HB       THR  69  -5.008   1.238  10.700
  554    HG1  THR  69           1HG      THR  69  -5.772  -0.088   9.157
  555   1HG2  THR  69          1HG2      THR  69  -7.854   2.323  10.753
  556   2HG2  THR  69          2HG2      THR  69  -7.154   1.184  11.936
  557   3HG2  THR  69          3HG2      THR  69  -6.515   2.823  11.819
  558    H    ASN  70           H        ASN  70  -3.231   3.012  10.053
  559    HA   ASN  70           HA       ASN  70  -3.635   5.949  10.333
  560   1HB   ASN  70          2HB       ASN  70  -4.230   4.797  12.493
  561   2HB   ASN  70          3HB       ASN  70  -2.537   4.312  12.639
  562   1HD2  ASN  70          2HD2      ASN  70  -3.873   5.936  14.542
  563   2HD2  ASN  70          1HD2      ASN  70  -3.174   7.567  14.418
  564    HA   PRO  71           HA       PRO  71   0.328   4.628   8.366
  565   1HB   PRO  71          2HB       PRO  71   0.493   6.634   6.435
  566   2HB   PRO  71          3HB       PRO  71  -0.350   5.078   6.226
  567   1HG   PRO  71          2HG       PRO  71  -1.522   7.757   6.988
  568   2HG   PRO  71          3HG       PRO  71  -2.168   6.545   5.840
  569   1HD   PRO  71          2HD       PRO  71  -3.117   6.786   8.378
  570   2HD   PRO  71          3HD       PRO  71  -2.984   5.189   7.591
  571    H    LYS  72           H        LYS  72  -0.620   7.899   9.154
  572    HA   LYS  72           HA       LYS  72   2.064   8.952   9.535
  573   1HB   LYS  72          2HB       LYS  72  -0.619  10.028   9.375
  574   2HB   LYS  72          3HB       LYS  72   0.052  10.542  10.903
  575   1HG   LYS  72          2HG       LYS  72   0.524  12.221   9.241
  576   2HG   LYS  72          3HG       LYS  72   2.033  11.486   9.767
  577   1HD   LYS  72          2HD       LYS  72   2.037  11.882   7.333
  578   2HD   LYS  72          3HD       LYS  72   2.177  10.178   7.702
  579   1HE   LYS  72          2HE       LYS  72   0.678  10.325   5.888
  580   2HE   LYS  72          3HE       LYS  72  -0.292   9.906   7.282
  581   1HZ   LYS  72          1HZ       LYS  72  -0.100  12.579   6.007
  582   2HZ   LYS  72          2HZ       LYS  72  -1.367  11.564   5.998
  583   3HZ   LYS  72          3HZ       LYS  72  -0.931  12.292   7.411
  584    H    LYS  73           H        LYS  73   0.175   7.030  11.654
  585    HA   LYS  73           HA       LYS  73   2.040   7.805  13.866
  586   1HB   LYS  73          2HB       LYS  73  -0.474   7.869  14.296
  587   2HB   LYS  73          3HB       LYS  73  -0.460   6.110  14.125
  588   1HG   LYS  73          2HG       LYS  73  -0.424   6.695  16.461
  589   2HG   LYS  73          3HG       LYS  73   1.119   5.943  16.047
  590   1HD   LYS  73          2HD       LYS  73   2.210   8.160  15.976
  591   2HD   LYS  73          3HD       LYS  73   0.643   8.956  16.252
  592   1HE   LYS  73          2HE       LYS  73   0.468   7.822  18.453
  593   2HE   LYS  73          3HE       LYS  73   2.011   7.004  18.157
  594   1HZ   LYS  73          1HZ       LYS  73   1.667   9.947  18.349
  595   2HZ   LYS  73          2HZ       LYS  73   2.301   8.989  19.525
  596   3HZ   LYS  73          3HZ       LYS  73   3.090   9.172  18.097
  597    H    TYR  74           H        TYR  74   0.906   4.945  12.038
  598    HA   TYR  74           HA       TYR  74   2.565   3.045  13.344
  599   1HB   TYR  74          2HB       TYR  74   0.577   2.729  11.756
  600   2HB   TYR  74          3HB       TYR  74   1.684   3.017  10.434
  601    HD1  TYR  74           HD1      TYR  74   2.659   1.066   9.441
  602    HD2  TYR  74           HD2      TYR  74   1.305   0.922  13.542
  603    HE1  TYR  74           HE1      TYR  74   3.127  -1.379   9.525
  604    HE2  TYR  74           HE2      TYR  74   1.868  -1.503  13.630
  605    HH   TYR  74           HH       TYR  74   2.738  -3.393  10.853
  606    H    ILE  75           H        ILE  75   3.166   5.130  10.568
  607    HA   ILE  75           HA       ILE  75   6.115   4.793  10.955
  608    HB   ILE  75           HB       ILE  75   4.787   5.470   8.325
  609   1HG1  ILE  75          2HG1      ILE  75   6.018   2.887   9.307
  610   2HG1  ILE  75          3HG1      ILE  75   4.359   3.134   8.780
  611   1HG2  ILE  75          1HG2      ILE  75   7.686   4.875   9.101
  612   2HG2  ILE  75          2HG2      ILE  75   7.130   5.311   7.477
  613   3HG2  ILE  75          3HG2      ILE  75   7.057   6.499   8.758
  614   1HD1  ILE  75          1HD1      ILE  75   6.871   3.012   7.093
  615   2HD1  ILE  75          2HD1      ILE  75   5.430   1.990   7.010
  616   3HD1  ILE  75          3HD1      ILE  75   5.353   3.679   6.460
  617    HA   PRO  76           HA       PRO  76   4.637   8.906  12.317
  618   1HB   PRO  76          2HB       PRO  76   6.661   9.561  14.045
  619   2HB   PRO  76          3HB       PRO  76   5.323   8.440  14.442
  620   1HG   PRO  76          2HG       PRO  76   8.111   7.741  13.469
  621   2HG   PRO  76          3HG       PRO  76   7.214   7.039  14.854
  622   1HD   PRO  76          2HD       PRO  76   7.292   5.822  12.430
  623   2HD   PRO  76          3HD       PRO  76   5.795   5.799  13.413
  624    H    GLY  77           H        GLY  77   4.752  10.093  10.505
  625   1HA   GLY  77          1HA       GLY  77   5.716  12.021   9.392
  626   2HA   GLY  77          2HA       GLY  77   7.322  11.485   9.846
  627    H    THR  78           H        THR  78   5.396   8.920   8.464
  628    HA   THR  78           HA       THR  78   7.005   8.490   6.222
  629    HB   THR  78           HB       THR  78   5.469   6.823   6.857
  630    HG1  THR  78           1HG      THR  78   4.706   6.245   4.889
  631   1HG2  THR  78          1HG2      THR  78   3.170   8.591   5.941
  632   2HG2  THR  78          2HG2      THR  78   3.052   6.898   6.447
  633   3HG2  THR  78          3HG2      THR  78   3.526   8.128   7.622
  634    H    LYS  79           H        LYS  79   7.197   9.139   4.198
  635    HA   LYS  79           HA       LYS  79   6.077  11.614   3.200
  636   1HB   LYS  79          2HB       LYS  79   7.967   9.507   2.257
  637   2HB   LYS  79          3HB       LYS  79   7.099  10.260   0.970
  638   1HG   LYS  79          2HG       LYS  79   8.148  12.257   2.883
  639   2HG   LYS  79          3HG       LYS  79   9.390  11.223   2.198
  640   1HD   LYS  79          2HD       LYS  79   9.138  13.232   0.889
  641   2HD   LYS  79          3HD       LYS  79   8.764  11.819  -0.081
  642   1HE   LYS  79          2HE       LYS  79   6.553  13.425   1.263
  643   2HE   LYS  79          3HE       LYS  79   7.316  14.013  -0.213
  644   1HZ   LYS  79          1HZ       LYS  79   5.753  11.523   0.093
  645   2HZ   LYS  79          2HZ       LYS  79   5.442  12.782  -0.881
  646   3HZ   LYS  79          3HZ       LYS  79   6.706  11.788  -1.223
  647    H    MET  80           H        MET  80   4.645   8.562   3.407
  648    HA   MET  80           HA       MET  80   2.735   8.830   1.221
  649   1HB   MET  80          2HB       MET  80   3.245   6.653   2.210
  650   2HB   MET  80          3HB       MET  80   2.688   7.205   3.791
  651   1HG   MET  80          2HG       MET  80   0.487   7.189   3.220
  652   2HG   MET  80          3HG       MET  80   0.784   7.520   1.525
  653   1HE   MET  80          1HE       MET  80  -1.470   5.646   1.750
  654   2HE   MET  80          2HE       MET  80  -1.175   3.947   2.182
  655   3HE   MET  80          3HE       MET  80  -1.030   5.211   3.423
  656    H    ALA  81           H        ALA  81   2.145  11.059   1.389
  657    HA   ALA  81           HA       ALA  81   1.241  12.200   3.774
  658   1HB   ALA  81          1HB       ALA  81   0.465  13.047   0.953
  659   2HB   ALA  81          2HB       ALA  81   0.443  14.068   2.398
  660   3HB   ALA  81          3HB       ALA  81   1.993  13.482   1.766
  661    H    PHE  82           H        PHE  82  -0.300   9.891   2.386
  662    HA   PHE  82           HA       PHE  82  -3.103  10.411   2.270
  663   1HB   PHE  82          2HB       PHE  82  -1.938   8.427   1.307
  664   2HB   PHE  82          3HB       PHE  82  -1.673   7.816   2.936
  665    HD1  PHE  82           HD1      PHE  82  -3.123   6.094   3.634
  666    HD2  PHE  82           HD2      PHE  82  -4.556   9.008   0.787
  667    HE1  PHE  82           HE1      PHE  82  -5.248   4.856   3.434
  668    HE2  PHE  82           HE2      PHE  82  -6.717   7.804   0.665
  669    HZ   PHE  82           HZ       PHE  82  -7.075   5.733   2.007
  670    H    GLY  83           H        GLY  83  -4.797   9.541   3.652
  671   1HA   GLY  83          1HA       GLY  83  -4.323  10.290   6.510
  672   2HA   GLY  83          2HA       GLY  83  -5.845  10.404   5.642
  673    H    GLY  84           H        GLY  84  -5.946   7.732   4.577
  674   1HA   GLY  84          1HA       GLY  84  -5.548   5.486   5.568
  675   2HA   GLY  84          2HA       GLY  84  -6.258   6.080   7.055
  676    H    LEU  85           H        LEU  85  -7.145   3.818   5.870
  677    HA   LEU  85           HA       LEU  85  -9.922   4.378   4.962
  678   1HB   LEU  85          2HB       LEU  85  -8.165   1.896   4.788
  679   2HB   LEU  85          3HB       LEU  85  -9.870   1.941   4.363
  680    HG   LEU  85           HG       LEU  85  -7.610   3.402   2.941
  681   1HD1  LEU  85          1HD1      LEU  85  -9.495   1.173   2.042
  682   2HD1  LEU  85          2HD1      LEU  85  -8.227   1.927   1.069
  683   3HD1  LEU  85          3HD1      LEU  85  -7.783   0.968   2.492
  684   1HD2  LEU  85          1HD2      LEU  85  -9.584   4.839   2.813
  685   2HD2  LEU  85          2HD2      LEU  85  -9.357   4.020   1.262
  686   3HD2  LEU  85          3HD2      LEU  85 -10.605   3.432   2.373
  687    H    LYS  86           H        LYS  86 -11.419   4.151   6.404
  688    HA   LYS  86           HA       LYS  86 -10.971   2.590   8.943
  689   1HB   LYS  86          2HB       LYS  86 -12.501   5.188   8.545
  690   2HB   LYS  86          3HB       LYS  86 -12.342   4.303  10.068
  691   1HG   LYS  86          2HG       LYS  86  -9.878   4.604  10.007
  692   2HG   LYS  86          3HG       LYS  86 -10.024   5.527   8.498
  693   1HD   LYS  86          2HD       LYS  86 -11.434   7.206   9.651
  694   2HD   LYS  86          3HD       LYS  86 -11.253   6.308  11.176
  695   1HE   LYS  86          2HE       LYS  86  -8.792   6.597  11.062
  696   2HE   LYS  86          3HE       LYS  86  -8.942   7.440   9.521
  697   1HZ   LYS  86          1HZ       LYS  86 -10.068   8.404  12.099
  698   2HZ   LYS  86          2HZ       LYS  86  -8.728   9.004  11.365
  699   3HZ   LYS  86          3HZ       LYS  86 -10.198   9.189  10.663
  700    H    LYS  87           H        LYS  87 -12.726   2.309   6.269
  701    HA   LYS  87           HA       LYS  87 -15.124   1.056   7.557
  702   1HB   LYS  87          2HB       LYS  87 -14.360   1.691   4.683
  703   2HB   LYS  87          3HB       LYS  87 -15.690   0.593   5.074
  704   1HG   LYS  87          2HG       LYS  87 -16.868   2.419   6.239
  705   2HG   LYS  87          3HG       LYS  87 -15.519   3.527   5.891
  706   1HD   LYS  87          2HD       LYS  87 -15.847   3.175   3.453
  707   2HD   LYS  87          3HD       LYS  87 -17.188   2.066   3.792
  708   1HE   LYS  87          2HE       LYS  87 -18.414   3.914   4.935
  709   2HE   LYS  87          3HE       LYS  87 -17.082   5.015   4.554
  710   1HZ   LYS  87          1HZ       LYS  87 -18.783   3.609   2.564
  711   2HZ   LYS  87          2HZ       LYS  87 -18.826   5.218   2.901
  712   3HZ   LYS  87          3HZ       LYS  87 -17.501   4.549   2.179
  713    H    GLU  88           H        GLU  88 -15.115  -1.054   7.892
  714    HA   GLU  88           HA       GLU  88 -12.976  -2.807   7.517
  715   1HB   GLU  88          2HB       GLU  88 -15.925  -3.567   7.649
  716   2HB   GLU  88          3HB       GLU  88 -14.554  -4.586   8.093
  717   1HG   GLU  88          2HG       GLU  88 -15.395  -2.012   9.524
  718   2HG   GLU  88          3HG       GLU  88 -15.770  -3.651  10.033
  719    H    LYS  89           H        LYS  89 -15.979  -2.828   5.584
  720    HA   LYS  89           HA       LYS  89 -15.280  -4.828   3.762
  721   1HB   LYS  89          2HB       LYS  89 -17.135  -2.496   3.179
  722   2HB   LYS  89          3HB       LYS  89 -17.150  -4.123   2.495
  723   1HG   LYS  89          2HG       LYS  89 -17.416  -4.882   4.971
  724   2HG   LYS  89          3HG       LYS  89 -17.954  -3.233   5.277
  725   1HD   LYS  89          2HD       LYS  89 -19.761  -3.480   3.605
  726   2HD   LYS  89          3HD       LYS  89 -19.228  -5.139   3.259
  727   1HE   LYS  89          2HE       LYS  89 -19.690  -5.808   5.585
  728   2HE   LYS  89          3HE       LYS  89 -20.160  -4.157   5.999
  729   1HZ   LYS  89          1HZ       LYS  89 -21.582  -5.884   4.035
  730   2HZ   LYS  89          2HZ       LYS  89 -22.103  -5.554   5.550
  731   3HZ   LYS  89          3HZ       LYS  89 -22.022  -4.353   4.446
  732    H    ASP  90           H        ASP  90 -14.899  -1.467   3.495
  733    HA   ASP  90           HA       ASP  90 -13.846  -1.098   0.835
  734   1HB   ASP  90          2HB       ASP  90 -14.669   0.703   2.419
  735   2HB   ASP  90          3HB       ASP  90 -13.161   0.523   3.309
  736    H    ARG  91           H        ARG  91 -11.983  -1.309   3.932
  737    HA   ARG  91           HA       ARG  91  -9.406  -1.675   2.770
  738   1HB   ARG  91          2HB       ARG  91 -10.508  -2.891   5.351
  739   2HB   ARG  91          3HB       ARG  91  -8.833  -2.984   4.824
  740   1HG   ARG  91          2HG       ARG  91  -8.795  -0.410   4.910
  741   2HG   ARG  91          3HG       ARG  91 -10.320  -0.542   5.812
  742   1HD   ARG  91          2HD       ARG  91  -8.892  -2.438   7.134
  743   2HD   ARG  91          3HD       ARG  91  -7.543  -1.495   6.515
  744    HE   ARG  91           HE       ARG  91  -7.880  -0.049   8.255
  745   1HH1  ARG  91          1HH2      ARG  91 -11.051  -1.294   7.677
  746   2HH1  ARG  91          2HH2      ARG  91 -11.491  -1.327   9.357
  747   1HH2  ARG  91          1HH1      ARG  91  -8.415   0.077  10.273
  748   2HH2  ARG  91          2HH1      ARG  91 -10.049  -0.339  10.818
  749    H    ASN  92           H        ASN  92 -11.895  -4.173   3.503
  750    HA   ASN  92           HA       ASN  92 -10.206  -6.392   2.848
  751   1HB   ASN  92          2HB       ASN  92 -11.815  -6.838   4.391
  752   2HB   ASN  92          3HB       ASN  92 -13.008  -5.781   3.673
  753   1HD2  ASN  92          2HD2      ASN  92 -14.002  -6.434   1.622
  754   2HD2  ASN  92          1HD2      ASN  92 -14.350  -8.177   1.547
  755    H    ASP  93           H        ASP  93 -12.489  -4.459   0.859
  756    HA   ASP  93           HA       ASP  93 -12.100  -5.975  -1.599
  757   1HB   ASP  93          2HB       ASP  93 -12.998  -3.152  -0.947
  758   2HB   ASP  93          3HB       ASP  93 -12.682  -3.649  -2.601
  759    H    LEU  94           H        LEU  94 -10.532  -3.028  -0.297
  760    HA   LEU  94           HA       LEU  94  -8.715  -2.584  -2.399
  761   1HB   LEU  94          2HB       LEU  94  -9.288  -1.351   0.020
  762   2HB   LEU  94          3HB       LEU  94  -7.710  -2.006   0.358
  763    HG   LEU  94           HG       LEU  94  -7.412   0.215  -0.360
  764   1HD1  LEU  94          1HD1      LEU  94  -6.817  -1.408  -2.857
  765   2HD1  LEU  94          2HD1      LEU  94  -6.087   0.133  -2.377
  766   3HD1  LEU  94          3HD1      LEU  94  -5.789  -1.327  -1.408
  767   1HD2  LEU  94          1HD2      LEU  94  -9.621   0.556  -1.369
  768   2HD2  LEU  94          2HD2      LEU  94  -8.328   1.167  -2.419
  769   3HD2  LEU  94          3HD2      LEU  94  -9.131  -0.377  -2.797
  770    H    ILE  95           H        ILE  95  -8.195  -4.481   0.577
  771    HA   ILE  95           HA       ILE  95  -5.652  -5.632   0.019
  772    HB   ILE  95           HB       ILE  95  -8.069  -6.666   1.537
  773   1HG1  ILE  95          2HG1      ILE  95  -5.390  -5.732   2.664
  774   2HG1  ILE  95          3HG1      ILE  95  -6.712  -4.617   2.380
  775   1HG2  ILE  95          1HG2      ILE  95  -5.273  -7.893   1.455
  776   2HG2  ILE  95          2HG2      ILE  95  -6.563  -8.374   2.571
  777   3HG2  ILE  95          3HG2      ILE  95  -6.761  -8.652   0.856
  778   1HD1  ILE  95          1HD1      ILE  95  -6.699  -6.967   4.312
  779   2HD1  ILE  95          2HD1      ILE  95  -6.890  -5.248   4.667
  780   3HD1  ILE  95          3HD1      ILE  95  -8.187  -6.110   3.847
  781    H    THR  96           H        THR  96  -8.931  -6.941  -0.764
  782    HA   THR  96           HA       THR  96  -8.009  -9.235  -2.137
  783    HB   THR  96           HB       THR  96 -10.562  -7.707  -2.782
  784    HG1  THR  96           1HG      THR  96 -10.528  -8.275  -0.625
  785   1HG2  THR  96          1HG2      THR  96  -9.769 -10.632  -3.173
  786   2HG2  THR  96          2HG2      THR  96 -11.395  -9.975  -3.416
  787   3HG2  THR  96          3HG2      THR  96 -10.071  -9.454  -4.469
  788    H    TYR  97           H        TYR  97  -8.584  -5.985  -3.498
  789    HA   TYR  97           HA       TYR  97  -7.780  -6.600  -6.213
  790   1HB   TYR  97          2HB       TYR  97  -8.854  -4.575  -5.950
  791   2HB   TYR  97          3HB       TYR  97  -7.918  -4.104  -4.537
  792    HD1  TYR  97           HD1      TYR  97  -6.087  -2.660  -4.727
  793    HD2  TYR  97           HD2      TYR  97  -7.418  -4.835  -8.201
  794    HE1  TYR  97           HE1      TYR  97  -4.393  -1.486  -6.112
  795    HE2  TYR  97           HE2      TYR  97  -5.766  -3.570  -9.608
  796    HH   TYR  97           HH       TYR  97  -3.639  -1.110  -8.187
  797    H    LEU  98           H        LEU  98  -5.847  -5.115  -3.542
  798    HA   LEU  98           HA       LEU  98  -3.573  -5.022  -5.242
  799   1HB   LEU  98          2HB       LEU  98  -4.306  -4.107  -2.642
  800   2HB   LEU  98          3HB       LEU  98  -2.828  -4.985  -2.406
  801    HG   LEU  98           HG       LEU  98  -3.054  -2.944  -4.662
  802   1HD1  LEU  98          1HD1      LEU  98  -2.294  -2.350  -1.783
  803   2HD1  LEU  98          2HD1      LEU  98  -2.117  -1.246  -3.169
  804   3HD1  LEU  98          3HD1      LEU  98  -3.731  -1.757  -2.652
  805   1HD2  LEU  98          1HD2      LEU  98  -1.046  -4.455  -4.581
  806   2HD2  LEU  98          2HD2      LEU  98  -0.644  -2.739  -4.398
  807   3HD2  LEU  98          3HD2      LEU  98  -0.667  -3.805  -2.977
  808    H    LYS  99           H        LYS  99  -4.571  -7.442  -2.949
  809    HA   LYS  99           HA       LYS  99  -2.279  -9.155  -3.385
  810   1HB   LYS  99          2HB       LYS  99  -3.755  -9.615  -1.504
  811   2HB   LYS  99          3HB       LYS  99  -5.100 -10.018  -2.611
  812   1HG   LYS  99          2HG       LYS  99  -3.875 -11.816  -3.585
  813   2HG   LYS  99          3HG       LYS  99  -2.357 -11.289  -2.843
  814   1HD   LYS  99          2HD       LYS  99  -3.143 -12.139  -0.637
  815   2HD   LYS  99          3HD       LYS  99  -4.644 -12.733  -1.450
  816   1HE   LYS  99          2HE       LYS  99  -3.150 -13.646  -3.257
  817   2HE   LYS  99          3HE       LYS  99  -1.736 -13.293  -2.285
  818   1HZ   LYS  99          1HZ       LYS  99  -3.848 -15.266  -1.740
  819   2HZ   LYS  99          2HZ       LYS  99  -2.349 -15.539  -2.297
  820   3HZ   LYS  99          3HZ       LYS  99  -2.539 -14.982  -0.727
  821    H    LYS 100           H        LYS 100  -5.371  -8.972  -5.249
  822    HA   LYS 100           HA       LYS 100  -4.524 -11.069  -7.074
  823   1HB   LYS 100          2HB       LYS 100  -6.927  -9.766  -6.589
  824   2HB   LYS 100          3HB       LYS 100  -6.501  -9.123  -8.149
  825   1HG   LYS 100          2HG       LYS 100  -6.269 -12.119  -7.820
  826   2HG   LYS 100          3HG       LYS 100  -7.857 -11.457  -7.573
  827   1HD   LYS 100          2HD       LYS 100  -7.810 -12.159  -9.803
  828   2HD   LYS 100          3HD       LYS 100  -7.820 -10.399  -9.822
  829   1HE   LYS 100          2HE       LYS 100  -6.334 -11.338 -11.555
  830   2HE   LYS 100          3HE       LYS 100  -5.462 -10.342 -10.401
  831   1HZ   LYS 100          1HZ       LYS 100  -5.440 -13.329 -10.450
  832   2HZ   LYS 100          2HZ       LYS 100  -4.147 -12.318 -10.636
  833   3HZ   LYS 100          3HZ       LYS 100  -4.782 -12.445  -9.254
  834    H    ALA 101           H        ALA 101  -3.549  -7.877  -6.752
  835    HA   ALA 101           HA       ALA 101  -2.498  -7.637  -9.503
  836   1HB   ALA 101          1HB       ALA 101  -2.374  -5.726  -7.156
  837   2HB   ALA 101          2HB       ALA 101  -1.923  -5.379  -8.847
  838   3HB   ALA 101          3HB       ALA 101  -3.610  -5.716  -8.432
  839    H    THR 102           H        THR 102  -1.442  -9.253  -6.767
  840    HA   THR 102           HA       THR 102   1.295  -9.208  -7.949
  841    HB   THR 102           HB       THR 102   1.396  -8.494  -5.623
  842    HG1  THR 102           1HG      THR 102   2.553 -10.877  -6.548
  843   1HG2  THR 102          1HG2      THR 102   0.584 -11.352  -4.942
  844   2HG2  THR 102          2HG2      THR 102   1.352 -10.201  -3.841
  845   3HG2  THR 102          3HG2      THR 102  -0.263  -9.857  -4.476
  846    H    GLU 103           H        GLU 103  -1.495 -11.187  -7.044
  847    HA   GLU 103           HA       GLU 103  -0.466 -13.364  -8.760
  848   1HB   GLU 103          2HB       GLU 103  -1.575 -15.062  -7.333
  849   2HB   GLU 103          3HB       GLU 103  -0.103 -14.378  -6.661
  850   1HG   GLU 103          2HG       GLU 103  -1.267 -13.189  -4.972
  851   2HG   GLU 103          3HG       GLU 103  -2.810 -13.337  -5.768
  852    HHA  HEC 104           HHA      HEC 104   5.180   3.128   0.841
  853    HHB  HEC 104           HHB      HEC 104  -0.629   0.516  -0.231
  854    HHC  HEC 104           HHC      HEC 104  -3.016   6.432  -1.407
  855    HHD  HEC 104           HHD      HEC 104   2.972   8.794  -1.334
  856   1HMA  HEC 104          1HMA      HEC 104   1.381  -1.081   1.493
  857   2HMA  HEC 104          2HMA      HEC 104   0.952  -1.114  -0.237
  858   3HMA  HEC 104          3HMA      HEC 104   2.609  -1.456   0.264
  859   1HAA  HEC 104          1HAA      HEC 104   4.267  -0.500   1.544
  860   2HAA  HEC 104          2HAA      HEC 104   4.960   1.066   1.953
  861   1HBA  HEC 104          1HBA      HEC 104   5.794   1.265  -0.414
  862   2HBA  HEC 104          2HBA      HEC 104   5.159  -0.347  -0.733
  863   1HMB  HEC 104          1HMB      HEC 104  -3.573   0.705  -0.201
  864   2HMB  HEC 104          2HMB      HEC 104  -4.010   1.213  -1.845
  865   3HMB  HEC 104          3HMB      HEC 104  -2.470   0.411  -1.564
  866    HAB  HEC 104           HAB      HEC 104  -4.588   5.129  -1.274
  867   1HBB  HEC 104          1HBB      HEC 104  -5.025   3.890   0.786
  868   2HBB  HEC 104          2HBB      HEC 104  -6.418   3.956  -0.308
  869   3HBB  HEC 104          3HBB      HEC 104  -5.471   2.463  -0.173
  870   1HMC  HEC 104          1HMC      HEC 104  -3.065   8.893  -1.209
  871   2HMC  HEC 104          2HMC      HEC 104  -2.179  10.039  -2.218
  872   3HMC  HEC 104          3HMC      HEC 104  -2.733   8.510  -2.911
  873    HAC  HEC 104           HAC      HEC 104   1.746  10.082  -2.343
  874   1HBC  HEC 104          1HBC      HEC 104   0.801  11.121  -0.389
  875   2HBC  HEC 104          2HBC      HEC 104   0.772  12.203  -1.793
  876   3HBC  HEC 104          3HBC      HEC 104  -0.726  11.423  -1.243
  877   1HMD  HEC 104          1HMD      HEC 104   6.120   8.432   0.358
  878   2HMD  HEC 104          2HMD      HEC 104   6.434   7.977  -1.312
  879   3HMD  HEC 104          3HMD      HEC 104   5.078   9.068  -0.914
  880   1HAD  HEC 104          1HAD      HEC 104   7.342   6.102   0.063
  881   2HAD  HEC 104          2HAD      HEC 104   6.889   4.522   0.684
  882   1HBD  HEC 104          1HBD      HEC 104   6.202   5.399   2.789
  883   2HBD  HEC 104          2HBD      HEC 104   6.133   7.053   2.187
  Start of MODEL   17
    1   1H    THR  -5          H1        THR  -5  -9.450  -9.262  14.609
    2   2H    THR  -5          H2        THR  -5  -8.350  -9.055  13.473
    3   3H    THR  -5          H3        THR  -5  -8.214 -10.361  14.483
    4    HA   THR  -5           HA       THR  -5  -9.046 -11.025  12.289
    5    HB   THR  -5           HB       THR  -5  -9.554 -12.357  14.184
    6    HG1  THR  -5           1HG      THR  -5 -11.875 -11.956  12.659
    7   1HG2  THR  -5          1HG2      THR  -5 -12.054 -10.692  14.697
    8   2HG2  THR  -5          2HG2      THR  -5 -11.634 -12.229  15.463
    9   3HG2  THR  -5          3HG2      THR  -5 -10.633 -10.805  15.753
   10    H    GLU  -4           H        GLU  -4  -9.270  -8.332  11.766
   11    HA   GLU  -4           HA       GLU  -4 -12.083  -7.673  11.320
   12   1HB   GLU  -4          2HB       GLU  -4  -9.516  -6.050  11.019
   13   2HB   GLU  -4          3HB       GLU  -4 -11.156  -5.429  10.970
   14   1HG   GLU  -4          2HG       GLU  -4 -10.130  -4.897  13.100
   15   2HG   GLU  -4          3HG       GLU  -4 -11.498  -5.988  13.329
   16    H    PHE  -3           H        PHE  -3  -9.101  -7.983   9.407
   17    HA   PHE  -3           HA       PHE  -3 -10.506  -7.758   6.819
   18   1HB   PHE  -3          2HB       PHE  -3  -8.101  -7.176   7.006
   19   2HB   PHE  -3          3HB       PHE  -3  -7.741  -8.811   7.546
   20    HD1  PHE  -3           HD1      PHE  -3  -8.923  -6.765   4.651
   21    HD2  PHE  -3           HD2      PHE  -3  -7.551 -10.640   5.972
   22    HE1  PHE  -3           HE1      PHE  -3  -8.683  -7.505   2.279
   23    HE2  PHE  -3           HE2      PHE  -3  -7.290 -11.344   3.605
   24    HZ   PHE  -3           HZ       PHE  -3  -7.847  -9.775   1.769
   25    H    LYS  -2           H        LYS  -2 -11.308  -9.475   5.706
   26    HA   LYS  -2           HA       LYS  -2 -10.957 -12.247   6.733
   27   1HB   LYS  -2          2HB       LYS  -2 -13.129 -10.903   7.595
   28   2HB   LYS  -2          3HB       LYS  -2 -13.748 -11.369   6.004
   29   1HG   LYS  -2          2HG       LYS  -2 -13.073 -13.778   6.611
   30   2HG   LYS  -2          3HG       LYS  -2 -12.705 -13.181   8.233
   31   1HD   LYS  -2          2HD       LYS  -2 -15.065 -12.392   8.449
   32   2HD   LYS  -2          3HD       LYS  -2 -15.425 -13.038   6.840
   33   1HE   LYS  -2          2HE       LYS  -2 -14.456 -14.636   9.256
   34   2HE   LYS  -2          3HE       LYS  -2 -16.126 -14.575   8.674
   35   1HZ   LYS  -2          1HZ       LYS  -2 -13.827 -15.597   7.104
   36   2HZ   LYS  -2          2HZ       LYS  -2 -14.942 -16.548   7.857
   37   3HZ   LYS  -2          3HZ       LYS  -2 -15.381 -15.579   6.596
   38    H    ALA  -1           H        ALA  -1 -10.426 -10.485   4.341
   39    HA   ALA  -1           HA       ALA  -1 -10.284 -10.376   2.134
   40   1HB   ALA  -1          1HB       ALA  -1 -11.207 -13.258   1.970
   41   2HB   ALA  -1          2HB       ALA  -1 -10.467 -12.298   0.677
   42   3HB   ALA  -1          3HB       ALA  -1  -9.521 -12.701   2.121
   43    H    GLY   1           H        GLY   1 -11.387  -9.956   0.305
   44   1HA   GLY   1          1HA       GLY   1 -14.364 -10.043   0.292
   45   2HA   GLY   1          2HA       GLY   1 -13.462  -8.666  -0.379
   46    H    SER   2           H        SER   2 -13.887  -8.958  -2.534
   47    HA   SER   2           HA       SER   2 -12.160 -10.791  -3.892
   48   1HB   SER   2          2HB       SER   2 -14.177 -12.345  -3.336
   49   2HB   SER   2          3HB       SER   2 -15.021 -11.435  -4.592
   50    HG   SER   2           HG       SER   2 -12.666 -12.995  -4.786
   51    H    ALA   3           H        ALA   3 -14.559  -8.203  -4.065
   52    HA   ALA   3           HA       ALA   3 -14.937  -8.632  -6.902
   53   1HB   ALA   3          1HB       ALA   3 -15.833  -6.200  -5.366
   54   2HB   ALA   3          2HB       ALA   3 -16.531  -6.874  -6.838
   55   3HB   ALA   3          3HB       ALA   3 -16.689  -7.757  -5.303
   56    H    LYS   4           H        LYS   4 -14.229  -7.646  -8.598
   57    HA   LYS   4           HA       LYS   4 -11.894  -6.005  -8.737
   58   1HB   LYS   4          2HB       LYS   4 -14.085  -6.483 -10.801
   59   2HB   LYS   4          3HB       LYS   4 -12.524  -5.717 -11.137
   60   1HG   LYS   4          2HG       LYS   4 -11.325  -7.751 -10.420
   61   2HG   LYS   4          3HG       LYS   4 -12.857  -8.548 -10.033
   62   1HD   LYS   4          2HD       LYS   4 -13.551  -8.384 -12.409
   63   2HD   LYS   4          3HD       LYS   4 -11.976  -7.651 -12.803
   64   1HE   LYS   4          2HE       LYS   4 -10.815  -9.666 -11.947
   65   2HE   LYS   4          3HE       LYS   4 -12.363 -10.386 -11.488
   66   1HZ   LYS   4          1HZ       LYS   4 -11.556  -9.734 -14.267
   67   2HZ   LYS   4          2HZ       LYS   4 -11.580 -11.241 -13.615
   68   3HZ   LYS   4          3HZ       LYS   4 -12.983 -10.421 -13.832
   69    H    LYS   5           H        LYS   5 -14.682  -5.023  -7.492
   70    HA   LYS   5           HA       LYS   5 -14.788  -2.165  -8.097
   71   1HB   LYS   5          2HB       LYS   5 -15.460  -3.744  -5.562
   72   2HB   LYS   5          3HB       LYS   5 -15.716  -2.005  -5.775
   73   1HG   LYS   5          2HG       LYS   5 -17.131  -2.523  -7.795
   74   2HG   LYS   5          3HG       LYS   5 -17.053  -4.233  -7.378
   75   1HD   LYS   5          2HD       LYS   5 -18.155  -2.087  -5.492
   76   2HD   LYS   5          3HD       LYS   5 -19.117  -2.920  -6.698
   77   1HE   LYS   5          2HE       LYS   5 -19.619  -4.185  -4.889
   78   2HE   LYS   5          3HE       LYS   5 -18.312  -5.135  -5.596
   79   1HZ   LYS   5          1HZ       LYS   5 -17.934  -3.212  -3.350
   80   2HZ   LYS   5          2HZ       LYS   5 -18.100  -4.838  -3.174
   81   3HZ   LYS   5          3HZ       LYS   5 -16.813  -4.301  -3.898
   82    H    GLY   6           H        GLY   6 -12.744  -4.215  -5.981
   83   1HA   GLY   6          1HA       GLY   6 -11.227  -2.249  -4.676
   84   2HA   GLY   6          2HA       GLY   6 -10.620  -3.798  -5.216
   85    H    ALA   7           H        ALA   7 -11.023  -3.191  -8.127
   86    HA   ALA   7           HA       ALA   7  -8.545  -1.821  -8.658
   87   1HB   ALA   7          1HB       ALA   7 -10.739  -2.551 -10.643
   88   2HB   ALA   7          2HB       ALA   7  -9.019  -2.284 -10.968
   89   3HB   ALA   7          3HB       ALA   7  -9.536  -3.706 -10.040
   90    H    THR   8           H        THR   8 -12.002  -0.872  -9.273
   91    HA   THR   8           HA       THR   8 -11.262   1.778 -10.239
   92    HB   THR   8           HB       THR   8 -13.704   2.285  -9.940
   93    HG1  THR   8           1HG      THR   8 -15.044   0.617  -9.461
   94   1HG2  THR   8          1HG2      THR   8 -13.105  -0.268 -11.492
   95   2HG2  THR   8          2HG2      THR   8 -14.461   0.842 -11.763
   96   3HG2  THR   8          3HG2      THR   8 -12.806   1.382 -12.081
   97    H    LEU   9           H        LEU   9 -11.867   0.422  -7.089
   98    HA   LEU   9           HA       LEU   9 -12.013   2.901  -5.621
   99   1HB   LEU   9          2HB       LEU   9 -11.237   0.094  -4.795
  100   2HB   LEU   9          3HB       LEU   9 -11.267   1.464  -3.679
  101    HG   LEU   9           HG       LEU   9 -13.674   0.828  -5.340
  102   1HD1  LEU   9          1HD1      LEU   9 -13.038  -0.314  -2.564
  103   2HD1  LEU   9          2HD1      LEU   9 -14.576  -0.498  -3.429
  104   3HD1  LEU   9          3HD1      LEU   9 -13.112  -1.262  -4.057
  105   1HD2  LEU   9          1HD2      LEU   9 -13.647   2.979  -4.131
  106   2HD2  LEU   9          2HD2      LEU   9 -14.890   1.889  -3.491
  107   3HD2  LEU   9          3HD2      LEU   9 -13.371   2.097  -2.604
  108    H    PHE  10           H        PHE  10  -9.301   0.542  -6.013
  109    HA   PHE  10           HA       PHE  10  -7.195   2.148  -5.082
  110   1HB   PHE  10          2HB       PHE  10  -7.001  -0.232  -5.618
  111   2HB   PHE  10          3HB       PHE  10  -7.144   0.116  -7.336
  112    HD1  PHE  10           HD1      PHE  10  -5.222   0.876  -8.612
  113    HD2  PHE  10           HD2      PHE  10  -4.971   0.444  -4.335
  114    HE1  PHE  10           HE1      PHE  10  -2.744   1.182  -8.719
  115    HE2  PHE  10           HE2      PHE  10  -2.525   0.783  -4.442
  116    HZ   PHE  10           HZ       PHE  10  -1.404   1.160  -6.637
  117    H    LYS  11           H        LYS  11  -8.536   2.115  -8.376
  118    HA   LYS  11           HA       LYS  11  -6.739   3.967  -9.603
  119   1HB   LYS  11          2HB       LYS  11  -8.939   2.550 -10.501
  120   2HB   LYS  11          3HB       LYS  11  -9.589   4.170 -10.449
  121   1HG   LYS  11          2HG       LYS  11  -8.747   4.110 -12.604
  122   2HG   LYS  11          3HG       LYS  11  -7.344   4.778 -11.762
  123   1HD   LYS  11          2HD       LYS  11  -6.544   2.318 -11.535
  124   2HD   LYS  11          3HD       LYS  11  -7.823   1.898 -12.669
  125   1HE   LYS  11          2HE       LYS  11  -6.865   3.262 -14.421
  126   2HE   LYS  11          3HE       LYS  11  -5.735   4.023 -13.303
  127   1HZ   LYS  11          1HZ       LYS  11  -5.643   1.139 -14.037
  128   2HZ   LYS  11          2HZ       LYS  11  -4.652   2.297 -14.644
  129   3HZ   LYS  11          3HZ       LYS  11  -4.568   1.899 -13.072
  130    H    THR  12           H        THR  12  -9.352   4.632  -7.394
  131    HA   THR  12           HA       THR  12  -9.003   7.597  -7.704
  132    HB   THR  12           HB       THR  12 -11.286   7.812  -6.828
  133    HG1  THR  12           1HG      THR  12 -11.610   5.038  -7.188
  134   1HG2  THR  12          1HG2      THR  12 -11.239   5.893  -9.199
  135   2HG2  THR  12          2HG2      THR  12 -12.547   7.000  -8.739
  136   3HG2  THR  12          3HG2      THR  12 -10.993   7.650  -9.287
  137    H    ARG  13           H        ARG  13  -8.207   5.177  -5.626
  138    HA   ARG  13           HA       ARG  13  -8.221   6.998  -3.255
  139   1HB   ARG  13          2HB       ARG  13  -7.837   3.984  -3.472
  140   2HB   ARG  13          3HB       ARG  13  -7.817   4.871  -1.959
  141   1HG   ARG  13          2HG       ARG  13 -10.284   4.882  -3.756
  142   2HG   ARG  13          3HG       ARG  13  -9.928   3.561  -2.645
  143   1HD   ARG  13          2HD       ARG  13  -9.809   5.383  -0.832
  144   2HD   ARG  13          3HD       ARG  13 -10.564   6.454  -2.001
  145    HE   ARG  13           HE       ARG  13 -11.817   4.087  -0.648
  146   1HH1  ARG  13          1HH2      ARG  13 -12.267   6.296  -3.329
  147   2HH1  ARG  13          2HH2      ARG  13 -13.977   5.995  -3.362
  148   1HH2  ARG  13          1HH1      ARG  13 -13.820   3.688  -0.782
  149   2HH2  ARG  13          2HH1      ARG  13 -14.884   4.509  -1.879
  150    H    CYS  14           H        CYS  14  -6.023   4.873  -5.081
  151    HA   CYS  14           HA       CYS  14  -3.717   5.846  -3.441
  152   1HB   CYS  14          2HB       CYS  14  -3.931   3.256  -4.939
  153   2HB   CYS  14          3HB       CYS  14  -2.806   3.655  -3.648
  154    H    LEU  15           H        LEU  15  -4.726   4.935  -6.754
  155    HA   LEU  15           HA       LEU  15  -2.212   4.989  -7.879
  156   1HB   LEU  15          2HB       LEU  15  -4.657   4.251  -8.665
  157   2HB   LEU  15          3HB       LEU  15  -4.518   5.699  -9.653
  158    HG   LEU  15           HG       LEU  15  -2.393   3.481  -9.574
  159   1HD1  LEU  15          1HD1      LEU  15  -4.744   3.813 -11.431
  160   2HD1  LEU  15          2HD1      LEU  15  -3.456   2.564 -11.558
  161   3HD1  LEU  15          3HD1      LEU  15  -4.574   2.541 -10.187
  162   1HD2  LEU  15          1HD2      LEU  15  -1.562   5.484 -10.703
  163   2HD2  LEU  15          2HD2      LEU  15  -1.903   4.268 -11.910
  164   3HD2  LEU  15          3HD2      LEU  15  -3.045   5.626 -11.666
  165    H    GLN  16           H        GLN  16  -4.077   7.793  -7.085
  166    HA   GLN  16           HA       GLN  16  -2.756   9.812  -8.574
  167   1HB   GLN  16          2HB       GLN  16  -3.333  11.274  -6.686
  168   2HB   GLN  16          3HB       GLN  16  -4.668  10.273  -7.224
  169   1HG   GLN  16          2HG       GLN  16  -4.187   8.705  -5.265
  170   2HG   GLN  16          3HG       GLN  16  -3.019   9.911  -4.695
  171   1HE2  GLN  16          2HE2      GLN  16  -5.597   8.961  -3.301
  172   2HE2  GLN  16          1HE2      GLN  16  -6.509  10.487  -3.255
  173    H    CYS  17           H        CYS  17  -1.457   7.814  -5.981
  174    HA   CYS  17           HA       CYS  17   1.144   9.284  -6.117
  175   1HB   CYS  17          2HB       CYS  17  -0.203   7.871  -3.816
  176   2HB   CYS  17          3HB       CYS  17   1.442   8.482  -3.773
  177    H    HIS  18           H        HIS  18  -0.298   6.267  -6.782
  178    HA   HIS  18           HA       HIS  18   2.334   4.837  -6.653
  179   1HB   HIS  18          1HB       HIS  18  -0.369   3.990  -5.528
  180   2HB   HIS  18          2HB       HIS  18   0.915   2.840  -5.860
  181    HD1  HIS  18           HD1      HIS  18   3.431   3.907  -4.650
  182    HD2  HIS  18           HD2      HIS  18  -0.390   4.465  -2.983
  183    HE1  HIS  18           HE1      HIS  18   3.781   4.281  -2.157
  184    H    THR  19           H        THR  19   2.435   2.875  -7.793
  185    HA   THR  19           HA       THR  19   0.462   2.329  -9.961
  186    HB   THR  19           HB       THR  19   2.337   1.467 -11.281
  187    HG1  THR  19           1HG      THR  19   4.204   1.400 -10.370
  188   1HG2  THR  19          1HG2      THR  19   2.605   4.430 -10.635
  189   2HG2  THR  19          2HG2      THR  19   3.175   3.618 -12.101
  190   3HG2  THR  19          3HG2      THR  19   1.432   3.719 -11.770
  191    H    VAL  20           H        VAL  20   0.436   0.044 -10.527
  192    HA   VAL  20           HA       VAL  20   1.313  -1.816  -8.334
  193    HB   VAL  20           HB       VAL  20  -1.031  -0.909  -8.094
  194   1HG1  VAL  20          1HG1      VAL  20  -1.684  -2.794 -10.389
  195   2HG1  VAL  20          2HG1      VAL  20  -2.822  -1.890  -9.372
  196   3HG1  VAL  20          3HG1      VAL  20  -1.740  -1.015 -10.455
  197   1HG2  VAL  20          1HG2      VAL  20  -0.231  -2.905  -6.920
  198   2HG2  VAL  20          2HG2      VAL  20  -1.956  -3.011  -7.331
  199   3HG2  VAL  20          3HG2      VAL  20  -0.755  -3.920  -8.268
  200    H    GLU  21           H        GLU  21   1.154  -1.195 -11.583
  201    HA   GLU  21           HA       GLU  21   1.182  -3.903 -12.611
  202   1HB   GLU  21          2HB       GLU  21   1.883  -1.310 -13.995
  203   2HB   GLU  21          3HB       GLU  21   1.421  -2.821 -14.728
  204   1HG   GLU  21          2HG       GLU  21  -0.496  -1.528 -14.963
  205   2HG   GLU  21          3HG       GLU  21  -0.863  -2.637 -13.661
  206    H    LYS  22           H        LYS  22   3.061  -4.563 -14.110
  207    HA   LYS  22           HA       LYS  22   5.218  -4.752 -12.179
  208   1HB   LYS  22          2HB       LYS  22   3.849  -6.604 -13.244
  209   2HB   LYS  22          3HB       LYS  22   4.772  -6.361 -14.734
  210   1HG   LYS  22          2HG       LYS  22   6.850  -6.992 -13.586
  211   2HG   LYS  22          3HG       LYS  22   6.027  -7.004 -12.025
  212   1HD   LYS  22          2HD       LYS  22   4.419  -8.761 -13.091
  213   2HD   LYS  22          3HD       LYS  22   5.588  -8.841 -14.393
  214   1HE   LYS  22          2HE       LYS  22   5.883  -9.516 -11.422
  215   2HE   LYS  22          3HE       LYS  22   5.972 -10.654 -12.766
  216   1HZ   LYS  22          1HZ       LYS  22   7.960  -8.527 -12.168
  217   2HZ   LYS  22          2HZ       LYS  22   8.175 -10.132 -11.901
  218   3HZ   LYS  22          3HZ       LYS  22   8.056  -9.559 -13.442
  219    H    GLY  23           H        GLY  23   5.835  -2.581 -12.725
  220   1HA   GLY  23          1HA       GLY  23   8.365  -2.008 -13.329
  221   2HA   GLY  23          2HA       GLY  23   7.800  -2.296 -14.974
  222    H    GLY  24           H        GLY  24   5.424  -0.843 -12.869
  223   1HA   GLY  24          1HA       GLY  24   5.285   1.529 -14.485
  224   2HA   GLY  24          2HA       GLY  24   4.428   1.248 -12.966
  225    HA   PRO  25           HA       PRO  25   8.185   4.210 -12.470
  226   1HB   PRO  25          2HB       PRO  25   7.158   6.704 -12.952
  227   2HB   PRO  25          3HB       PRO  25   7.815   5.656 -14.246
  228   1HG   PRO  25          2HG       PRO  25   4.909   5.986 -13.422
  229   2HG   PRO  25          3HG       PRO  25   5.607   6.077 -15.072
  230   1HD   PRO  25          2HD       PRO  25   4.471   3.795 -14.123
  231   2HD   PRO  25          3HD       PRO  25   5.926   3.738 -15.165
  232    H    HIS  26           H        HIS  26   8.584   4.986 -10.478
  233    HA   HIS  26           HA       HIS  26   6.708   4.696  -8.365
  234   1HB   HIS  26          2HB       HIS  26   9.409   6.063  -8.341
  235   2HB   HIS  26          3HB       HIS  26   8.562   5.357  -6.960
  236    HD1  HIS  26           HD1      HIS  26   7.858   2.482  -8.256
  237    HD2  HIS  26           HD2      HIS  26  11.486   4.556  -8.731
  238    HE1  HIS  26           HE1      HIS  26   9.692   0.718  -8.580
  239    H    LYS  27           H        LYS  27   5.090   5.999  -9.044
  240    HA   LYS  27           HA       LYS  27   5.062   8.489 -10.044
  241   1HB   LYS  27          2HB       LYS  27   3.257   6.592  -9.743
  242   2HB   LYS  27          3HB       LYS  27   2.678   7.554  -8.409
  243   1HG   LYS  27          2HG       LYS  27   2.871   8.441 -11.330
  244   2HG   LYS  27          3HG       LYS  27   1.441   7.818 -10.524
  245   1HD   LYS  27          2HD       LYS  27   0.886   9.961 -10.178
  246   2HD   LYS  27          3HD       LYS  27   2.009   9.866  -8.834
  247   1HE   LYS  27          2HE       LYS  27   3.743  10.462 -10.880
  248   2HE   LYS  27          3HE       LYS  27   2.265  11.192 -11.526
  249   1HZ   LYS  27          1HZ       LYS  27   3.642  11.753  -8.981
  250   2HZ   LYS  27          2HZ       LYS  27   3.426  12.814 -10.214
  251   3HZ   LYS  27          3HZ       LYS  27   2.130  12.353  -9.290
  252    H    VAL  28           H        VAL  28   4.535   7.915  -6.643
  253    HA   VAL  28           HA       VAL  28   5.696  10.501  -5.860
  254    HB   VAL  28           HB       VAL  28   2.960   9.717  -4.805
  255   1HG1  VAL  28          1HG1      VAL  28   4.764  12.046  -4.027
  256   2HG1  VAL  28          2HG1      VAL  28   3.074  11.847  -3.507
  257   3HG1  VAL  28          3HG1      VAL  28   4.283  10.686  -2.987
  258   1HG2  VAL  28          1HG2      VAL  28   2.705  10.848  -6.950
  259   2HG2  VAL  28          2HG2      VAL  28   2.202  11.929  -5.664
  260   3HG2  VAL  28          3HG2      VAL  28   3.797  12.155  -6.422
  261    H    GLY  29           H        GLY  29   4.234   7.416  -4.952
  262   1HA   GLY  29          1HA       GLY  29   6.606   6.794  -3.266
  263   2HA   GLY  29          2HA       GLY  29   4.990   6.161  -2.907
  264    HA   PRO  30           HA       PRO  30   7.542   3.543  -5.815
  265   1HB   PRO  30          2HB       PRO  30   7.818   1.213  -4.364
  266   2HB   PRO  30          3HB       PRO  30   8.803   2.674  -4.055
  267   1HG   PRO  30          2HG       PRO  30   6.232   1.816  -2.658
  268   2HG   PRO  30          3HG       PRO  30   7.792   2.272  -1.900
  269   1HD   PRO  30          2HD       PRO  30   5.814   4.072  -2.152
  270   2HD   PRO  30          3HD       PRO  30   7.502   4.548  -2.430
  271    H    ASN  31           H        ASN  31   7.317   1.261  -6.662
  272    HA   ASN  31           HA       ASN  31   4.604   1.027  -7.747
  273   1HB   ASN  31          2HB       ASN  31   6.634   1.107  -9.181
  274   2HB   ASN  31          3HB       ASN  31   7.228  -0.391  -8.432
  275   1HD2  ASN  31          2HD2      ASN  31   5.901  -2.390  -8.790
  276   2HD2  ASN  31          1HD2      ASN  31   4.831  -2.324 -10.243
  277    H    LEU  32           H        LEU  32   3.185  -0.115  -6.569
  278    HA   LEU  32           HA       LEU  32   3.922  -1.862  -4.418
  279   1HB   LEU  32          2HB       LEU  32   1.209  -1.215  -5.629
  280   2HB   LEU  32          3HB       LEU  32   1.467  -1.991  -4.074
  281    HG   LEU  32           HG       LEU  32   2.222   0.875  -4.792
  282   1HD1  LEU  32          1HD1      LEU  32   0.143  -0.230  -2.863
  283   2HD1  LEU  32          2HD1      LEU  32   0.464   1.480  -3.207
  284   3HD1  LEU  32          3HD1      LEU  32  -0.199   0.436  -4.476
  285   1HD2  LEU  32          1HD2      LEU  32   3.846   0.049  -3.163
  286   2HD2  LEU  32          2HD2      LEU  32   2.709   1.129  -2.351
  287   3HD2  LEU  32          3HD2      LEU  32   2.543  -0.627  -2.153
  288    H    HIS  33           H        HIS  33   3.979  -2.672  -7.524
  289    HA   HIS  33           HA       HIS  33   2.861  -5.376  -7.518
  290   1HB   HIS  33          2HB       HIS  33   3.513  -3.953  -9.552
  291   2HB   HIS  33          3HB       HIS  33   5.161  -4.496  -9.262
  292    HD1  HIS  33           HD1      HIS  33   1.698  -5.851 -10.124
  293    HD2  HIS  33           HD2      HIS  33   5.657  -7.147  -9.550
  294    HE1  HIS  33           HE1      HIS  33   1.802  -8.269 -10.987
  295    H    GLY  34           H        GLY  34   3.533  -6.138  -5.464
  296   1HA   GLY  34          1HA       GLY  34   4.798  -8.026  -4.631
  297   2HA   GLY  34          2HA       GLY  34   6.172  -7.554  -5.613
  298    H    ILE  35           H        ILE  35   4.500  -5.263  -3.400
  299    HA   ILE  35           HA       ILE  35   6.748  -5.304  -1.522
  300    HB   ILE  35           HB       ILE  35   5.584  -3.834  -0.157
  301   1HG1  ILE  35          2HG1      ILE  35   3.314  -4.688  -0.117
  302   2HG1  ILE  35          3HG1      ILE  35   3.385  -2.970  -0.421
  303   1HG2  ILE  35          1HG2      ILE  35   5.270  -2.974  -3.037
  304   2HG2  ILE  35          2HG2      ILE  35   5.205  -1.901  -1.624
  305   3HG2  ILE  35          3HG2      ILE  35   6.685  -2.798  -1.988
  306   1HD1  ILE  35          1HD1      ILE  35   2.788  -5.072  -2.526
  307   2HD1  ILE  35          2HD1      ILE  35   1.647  -3.939  -1.792
  308   3HD1  ILE  35          3HD1      ILE  35   2.943  -3.315  -2.802
  309    H    PHE  36           H        PHE  36   3.647  -6.921  -1.908
  310    HA   PHE  36           HA       PHE  36   3.175  -7.877   0.654
  311   1HB   PHE  36          2HB       PHE  36   2.317  -8.768  -2.104
  312   2HB   PHE  36          3HB       PHE  36   1.913  -9.727  -0.698
  313    HD1  PHE  36           HD1      PHE  36   0.785  -6.991  -2.701
  314    HD2  PHE  36           HD2      PHE  36   0.716  -8.594   1.298
  315    HE1  PHE  36           HE1      PHE  36  -1.265  -5.698  -2.216
  316    HE2  PHE  36           HE2      PHE  36  -1.309  -7.251   1.794
  317    HZ   PHE  36           HZ       PHE  36  -2.302  -5.798   0.043
  318    H    GLY  37           H        GLY  37   3.744  -9.522   1.748
  319   1HA   GLY  37          1HA       GLY  37   4.871 -11.465   2.522
  320   2HA   GLY  37          2HA       GLY  37   5.200 -11.901   0.843
  321    H    ARG  38           H        ARG  38   6.231  -8.785   1.338
  322    HA   ARG  38           HA       ARG  38   9.059  -9.464   1.984
  323   1HB   ARG  38          2HB       ARG  38   8.717  -9.349  -0.399
  324   2HB   ARG  38          3HB       ARG  38   8.024  -7.736  -0.321
  325   1HG   ARG  38          2HG       ARG  38  10.063  -6.737   0.303
  326   2HG   ARG  38          3HG       ARG  38  10.789  -8.328   0.656
  327   1HD   ARG  38          2HD       ARG  38  11.654  -7.630  -1.358
  328   2HD   ARG  38          3HD       ARG  38  10.539  -8.940  -1.745
  329    HE   ARG  38           HE       ARG  38   8.923  -6.915  -2.370
  330   1HH1  ARG  38          1HH2      ARG  38  12.314  -7.274  -3.257
  331   2HH1  ARG  38          2HH2      ARG  38  12.013  -6.326  -4.699
  332   1HH2  ARG  38          1HH1      ARG  38   8.843  -5.520  -4.136
  333   2HH2  ARG  38          2HH1      ARG  38  10.394  -5.087  -4.888
  334    H    HIS  39           H        HIS  39  10.267  -7.299   2.444
  335    HA   HIS  39           HA       HIS  39   8.720  -6.167   4.711
  336   1HB   HIS  39          2HB       HIS  39  11.690  -6.215   4.132
  337   2HB   HIS  39          3HB       HIS  39  10.954  -5.444   5.539
  338    HD1  HIS  39           HD1      HIS  39  12.049  -8.866   4.372
  339    HD2  HIS  39           HD2      HIS  39   9.491  -7.102   7.203
  340    HE1  HIS  39           HE1      HIS  39  11.417 -10.711   6.028
  341    H    SER  40           H        SER  40   8.509  -3.959   5.122
  342    HA   SER  40           HA       SER  40   8.369  -2.165   2.992
  343   1HB   SER  40          2HB       SER  40   7.998  -0.414   4.591
  344   2HB   SER  40          3HB       SER  40   7.292  -1.900   5.224
  345    HG   SER  40           HG       SER  40   9.559  -0.461   6.035
  346    H    GLY  41           H        GLY  41   9.385  -0.382   2.381
  347   1HA   GLY  41          1HA       GLY  41  11.258   0.985   1.832
  348   2HA   GLY  41          2HA       GLY  41  12.124   0.282   3.183
  349    H    GLN  42           H        GLN  42  10.851  -1.441   0.274
  350    HA   GLN  42           HA       GLN  42  13.681  -2.178  -0.386
  351   1HB   GLN  42          2HB       GLN  42  11.320  -4.063  -0.098
  352   2HB   GLN  42          3HB       GLN  42  12.884  -4.506  -0.792
  353   1HG   GLN  42          2HG       GLN  42  13.973  -3.660   1.343
  354   2HG   GLN  42          3HG       GLN  42  12.365  -3.591   2.059
  355   1HE2  GLN  42          2HE2      GLN  42  14.341  -5.134   3.204
  356   2HE2  GLN  42          1HE2      GLN  42  13.999  -6.845   2.882
  357    H    ALA  43           H        ALA  43  11.183  -0.629  -1.950
  358    HA   ALA  43           HA       ALA  43  11.154  -1.822  -4.493
  359   1HB   ALA  43          1HB       ALA  43  10.999   1.121  -3.753
  360   2HB   ALA  43          2HB       ALA  43  10.547   0.422  -5.320
  361   3HB   ALA  43          3HB       ALA  43   9.652  -0.044  -3.858
  362    H    GLU  44           H        GLU  44  12.675  -2.399  -5.639
  363    HA   GLU  44           HA       GLU  44  15.356  -2.041  -5.315
  364   1HB   GLU  44          2HB       GLU  44  13.903  -3.245  -7.708
  365   2HB   GLU  44          3HB       GLU  44  15.589  -3.520  -7.253
  366   1HG   GLU  44          2HG       GLU  44  14.777  -5.337  -6.256
  367   2HG   GLU  44          3HG       GLU  44  14.497  -4.246  -4.917
  368    H    GLY  45           H        GLY  45  14.965   0.470  -5.644
  369   1HA   GLY  45          1HA       GLY  45  17.008   1.529  -7.195
  370   2HA   GLY  45          2HA       GLY  45  15.646   1.502  -8.311
  371    H    TYR  46           H        TYR  46  14.528   2.103  -5.088
  372    HA   TYR  46           HA       TYR  46  14.335   5.023  -5.675
  373   1HB   TYR  46          2HB       TYR  46  12.442   3.746  -6.502
  374   2HB   TYR  46          3HB       TYR  46  12.144   3.099  -4.903
  375    HD1  TYR  46           HD1      TYR  46  11.707   5.983  -7.127
  376    HD2  TYR  46           HD2      TYR  46  11.657   4.715  -3.038
  377    HE1  TYR  46           HE1      TYR  46  10.144   7.838  -6.601
  378    HE2  TYR  46           HE2      TYR  46  10.109   6.617  -2.459
  379    HH   TYR  46           HH       TYR  46   8.685   8.577  -5.071
  380    H    SER  47           H        SER  47  14.689   6.364  -4.129
  381    HA   SER  47           HA       SER  47  15.554   5.557  -1.502
  382   1HB   SER  47          2HB       SER  47  15.027   8.327  -2.638
  383   2HB   SER  47          3HB       SER  47  15.912   7.946  -1.144
  384    HG   SER  47           HG       SER  47  17.393   8.176  -2.794
  385    H    TYR  48           H        TYR  48  14.205   5.008   0.042
  386    HA   TYR  48           HA       TYR  48  11.534   6.186   0.461
  387   1HB   TYR  48          2HB       TYR  48  13.253   4.143   1.919
  388   2HB   TYR  48          3HB       TYR  48  11.710   4.688   2.552
  389    HD1  TYR  48           HD1      TYR  48   9.649   3.875   1.748
  390    HD2  TYR  48           HD2      TYR  48  13.303   2.923  -0.349
  391    HE1  TYR  48           HE1      TYR  48   8.471   2.099   0.490
  392    HE2  TYR  48           HE2      TYR  48  12.117   1.196  -1.630
  393    HH   TYR  48           HH       TYR  48   8.898   0.028  -0.664
  394    H    THR  49           H        THR  49  10.928   6.963   2.578
  395    HA   THR  49           HA       THR  49  12.762   8.757   4.012
  396    HB   THR  49           HB       THR  49  10.938   8.777   5.750
  397    HG1  THR  49           1HG      THR  49   9.535   7.296   3.761
  398   1HG2  THR  49          1HG2      THR  49  10.032   9.445   2.931
  399   2HG2  THR  49          2HG2      THR  49   9.416  10.132   4.463
  400   3HG2  THR  49          3HG2      THR  49  11.075  10.467   3.948
  401    H    ASP  50           H        ASP  50  13.986   8.310   5.713
  402    HA   ASP  50           HA       ASP  50  14.922   5.893   6.560
  403   1HB   ASP  50          2HB       ASP  50  15.885   8.054   7.152
  404   2HB   ASP  50          3HB       ASP  50  14.503   8.423   8.192
  405    H    ALA  51           H        ALA  51  12.121   7.520   8.074
  406    HA   ALA  51           HA       ALA  51  11.589   5.598  10.064
  407   1HB   ALA  51          1HB       ALA  51   9.624   7.422   8.605
  408   2HB   ALA  51          2HB       ALA  51   9.395   6.678  10.207
  409   3HB   ALA  51          3HB       ALA  51  10.655   7.895   9.976
  410    H    ASN  52           H        ASN  52  10.588   5.524   6.618
  411    HA   ASN  52           HA       ASN  52   8.834   3.203   6.998
  412   1HB   ASN  52          2HB       ASN  52   8.532   5.028   5.247
  413   2HB   ASN  52          3HB       ASN  52   9.922   4.361   4.400
  414   1HD2  ASN  52          2HD2      ASN  52   9.661   1.894   3.796
  415   2HD2  ASN  52          1HD2      ASN  52   8.026   1.437   3.341
  416    H    ILE  53           H        ILE  53  12.202   3.756   6.273
  417    HA   ILE  53           HA       ILE  53  12.826   0.996   5.534
  418    HB   ILE  53           HB       ILE  53  14.613   3.230   6.492
  419   1HG1  ILE  53          2HG1      ILE  53  14.275   2.178   3.640
  420   2HG1  ILE  53          3HG1      ILE  53  13.386   3.559   4.260
  421   1HG2  ILE  53          1HG2      ILE  53  15.381   0.581   5.174
  422   2HG2  ILE  53          2HG2      ILE  53  16.508   1.885   5.603
  423   3HG2  ILE  53          3HG2      ILE  53  15.678   1.008   6.873
  424   1HD1  ILE  53          1HD1      ILE  53  16.407   3.403   3.953
  425   2HD1  ILE  53          2HD1      ILE  53  15.278   4.381   3.012
  426   3HD1  ILE  53          3HD1      ILE  53  15.533   4.748   4.724
  427    H    LYS  54           H        LYS  54  13.551   2.923   8.506
  428    HA   LYS  54           HA       LYS  54  14.288   0.653  10.104
  429   1HB   LYS  54          2HB       LYS  54  13.221   3.382  10.965
  430   2HB   LYS  54          3HB       LYS  54  13.907   2.160  12.038
  431   1HG   LYS  54          2HG       LYS  54  15.971   2.297  10.329
  432   2HG   LYS  54          3HG       LYS  54  15.298   3.906  10.029
  433   1HD   LYS  54          2HD       LYS  54  15.361   4.266  12.578
  434   2HD   LYS  54          3HD       LYS  54  16.195   2.707  12.691
  435   1HE   LYS  54          2HE       LYS  54  18.013   4.164  12.640
  436   2HE   LYS  54          3HE       LYS  54  17.847   3.714  10.933
  437   1HZ   LYS  54          1HZ       LYS  54  17.283   6.310  12.176
  438   2HZ   LYS  54          2HZ       LYS  54  17.737   5.964  10.601
  439   3HZ   LYS  54          3HZ       LYS  54  16.253   5.825  11.010
  440    H    LYS  55           H        LYS  55  11.313   1.145   8.839
  441    HA   LYS  55           HA       LYS  55   9.881  -0.131  11.138
  442   1HB   LYS  55          2HB       LYS  55   8.816   1.629   9.432
  443   2HB   LYS  55          3HB       LYS  55   8.557   0.192   8.449
  444   1HG   LYS  55          2HG       LYS  55   6.572   0.468   9.729
  445   2HG   LYS  55          3HG       LYS  55   7.434  -0.845  10.532
  446   1HD   LYS  55          2HD       LYS  55   8.373   0.970  12.145
  447   2HD   LYS  55          3HD       LYS  55   7.214   2.072  11.395
  448   1HE   LYS  55          2HE       LYS  55   5.411   0.350  11.972
  449   2HE   LYS  55          3HE       LYS  55   6.637  -0.518  12.906
  450   1HZ   LYS  55          1HZ       LYS  55   5.659   2.247  13.326
  451   2HZ   LYS  55          2HZ       LYS  55   5.371   0.976  14.313
  452   3HZ   LYS  55          3HZ       LYS  55   6.902   1.593  14.196
  453    H    ASN  56           H        ASN  56  11.380  -1.090   8.157
  454    HA   ASN  56           HA       ASN  56  10.852  -2.921   6.756
  455   1HB   ASN  56          2HB       ASN  56  12.454  -3.905   9.138
  456   2HB   ASN  56          3HB       ASN  56  12.254  -4.829   7.653
  457   1HD2  ASN  56          2HD2      ASN  56  12.538  -2.667   5.637
  458   2HD2  ASN  56          1HD2      ASN  56  14.187  -2.138   5.942
  459    H    VAL  57           H        VAL  57   8.466  -2.655   7.382
  460    HA   VAL  57           HA       VAL  57   7.459  -4.885   9.010
  461    HB   VAL  57           HB       VAL  57   6.516  -2.404   8.798
  462   1HG1  VAL  57          1HG1      VAL  57   4.824  -3.820   6.722
  463   2HG1  VAL  57          2HG1      VAL  57   4.372  -2.343   7.609
  464   3HG1  VAL  57          3HG1      VAL  57   5.780  -2.352   6.559
  465   1HG2  VAL  57          1HG2      VAL  57   5.842  -3.970  10.460
  466   2HG2  VAL  57          2HG2      VAL  57   4.384  -3.325   9.705
  467   3HG2  VAL  57          3HG2      VAL  57   4.949  -4.958   9.289
  468    H    LEU  58           H        LEU  58   6.819  -6.840   8.364
  469    HA   LEU  58           HA       LEU  58   7.077  -7.574   5.575
  470   1HB   LEU  58          2HB       LEU  58   7.552  -9.042   7.564
  471   2HB   LEU  58          3HB       LEU  58   5.820  -9.227   7.803
  472    HG   LEU  58           HG       LEU  58   7.167  -9.853   5.131
  473   1HD1  LEU  58          1HD1      LEU  58   6.730 -11.790   7.439
  474   2HD1  LEU  58          2HD1      LEU  58   7.361 -12.182   5.818
  475   3HD1  LEU  58          3HD1      LEU  58   8.301 -11.147   6.901
  476   1HD2  LEU  58          1HD2      LEU  58   4.723  -9.810   4.979
  477   2HD2  LEU  58          2HD2      LEU  58   5.267 -11.479   4.926
  478   3HD2  LEU  58          3HD2      LEU  58   4.573 -10.826   6.427
  479    H    TRP  59           H        TRP  59   5.686  -6.710   4.195
  480    HA   TRP  59           HA       TRP  59   3.011  -5.922   4.817
  481   1HB   TRP  59          2HB       TRP  59   4.356  -6.403   2.163
  482   2HB   TRP  59          3HB       TRP  59   2.795  -5.622   2.348
  483    HD1  TRP  59           HD1      TRP  59   6.236  -4.700   1.842
  484    HE1  TRP  59           HE1      TRP  59   6.640  -2.207   2.473
  485    HE3  TRP  59           HE3      TRP  59   2.119  -3.896   4.763
  486    HZ2  TRP  59           HZ2      TRP  59   5.580  -0.332   4.309
  487    HZ3  TRP  59           HZ3      TRP  59   1.868  -1.831   6.019
  488    HH2  TRP  59           HH2      TRP  59   3.545   0.037   5.777
  489    H    ASP  60           H        ASP  60   1.686  -7.543   5.644
  490    HA   ASP  60           HA       ASP  60   0.708  -9.439   3.551
  491   1HB   ASP  60          2HB       ASP  60   0.214 -11.037   5.021
  492   2HB   ASP  60          3HB       ASP  60   1.559 -10.338   5.902
  493    H    GLU  61           H        GLU  61  -1.767  -9.926   4.274
  494    HA   GLU  61           HA       GLU  61  -3.205  -7.557   3.378
  495   1HB   GLU  61          2HB       GLU  61  -4.229 -10.228   4.422
  496   2HB   GLU  61          3HB       GLU  61  -5.236  -8.937   3.742
  497   1HG   GLU  61          2HG       GLU  61  -3.945  -9.069   1.613
  498   2HG   GLU  61          3HG       GLU  61  -3.014 -10.410   2.269
  499    H    ASN  62           H        ASN  62  -2.901  -9.153   6.616
  500    HA   ASN  62           HA       ASN  62  -4.766  -7.252   7.772
  501   1HB   ASN  62          2HB       ASN  62  -4.765  -8.547   9.591
  502   2HB   ASN  62          3HB       ASN  62  -4.413  -9.750   8.373
  503   1HD2  ASN  62          2HD2      ASN  62  -2.063 -10.556   8.376
  504   2HD2  ASN  62          1HD2      ASN  62  -1.258 -10.366   9.904
  505    H    ASN  63           H        ASN  63  -1.164  -7.660   8.040
  506    HA   ASN  63           HA       ASN  63  -0.787  -5.318   9.622
  507   1HB   ASN  63          2HB       ASN  63   0.990  -6.905   9.412
  508   2HB   ASN  63          3HB       ASN  63   0.959  -6.821   7.643
  509   1HD2  ASN  63          2HD2      ASN  63   3.012  -6.085   7.225
  510   2HD2  ASN  63          1HD2      ASN  63   3.496  -4.461   7.738
  511    H    MET  64           H        MET  64  -0.818  -5.566   5.978
  512    HA   MET  64           HA       MET  64  -0.221  -2.761   5.640
  513   1HB   MET  64          2HB       MET  64  -0.013  -4.487   3.835
  514   2HB   MET  64          3HB       MET  64  -1.767  -4.559   3.770
  515   1HG   MET  64          2HG       MET  64  -1.813  -2.108   3.218
  516   2HG   MET  64          3HG       MET  64  -0.051  -2.119   3.200
  517   1HE   MET  64          1HE       MET  64   0.519  -4.976   1.732
  518   2HE   MET  64          2HE       MET  64   0.689  -4.395   0.077
  519   3HE   MET  64          3HE       MET  64   1.390  -3.456   1.418
  520    H    SER  65           H        SER  65  -3.278  -4.503   6.225
  521    HA   SER  65           HA       SER  65  -5.086  -2.345   5.761
  522   1HB   SER  65          2HB       SER  65  -5.280  -4.476   7.940
  523   2HB   SER  65          3HB       SER  65  -6.558  -3.378   7.450
  524    HG   SER  65           HG       SER  65  -5.325  -5.372   5.826
  525    H    GLU  66           H        GLU  66  -2.993  -3.026   8.611
  526    HA   GLU  66           HA       GLU  66  -4.224  -0.789   9.980
  527   1HB   GLU  66          2HB       GLU  66  -3.518  -3.053  11.018
  528   2HB   GLU  66          3HB       GLU  66  -1.918  -2.326  11.099
  529   1HG   GLU  66          2HG       GLU  66  -3.057  -2.019  13.212
  530   2HG   GLU  66          3HG       GLU  66  -2.833  -0.455  12.451
  531    H    TYR  67           H        TYR  67  -1.364  -1.166   8.078
  532    HA   TYR  67           HA       TYR  67  -0.315   1.508   8.688
  533   1HB   TYR  67          2HB       TYR  67   0.985  -0.194   7.433
  534   2HB   TYR  67          3HB       TYR  67  -0.170  -0.118   6.114
  535    HD1  TYR  67           HD1      TYR  67   0.863   0.885   4.231
  536    HD2  TYR  67           HD2      TYR  67   1.574   2.476   8.138
  537    HE1  TYR  67           HE1      TYR  67   2.369   2.594   3.257
  538    HE2  TYR  67           HE2      TYR  67   3.066   4.258   7.154
  539    HH   TYR  67           HH       TYR  67   4.293   3.958   3.990
  540    H    LEU  68           H        LEU  68  -2.655   0.208   6.296
  541    HA   LEU  68           HA       LEU  68  -3.572   2.790   5.388
  542   1HB   LEU  68          2HB       LEU  68  -4.870   0.047   5.284
  543   2HB   LEU  68          3HB       LEU  68  -5.459   1.462   4.419
  544    HG   LEU  68           HG       LEU  68  -2.714   0.202   3.970
  545   1HD1  LEU  68          1HD1      LEU  68  -5.249   0.040   2.298
  546   2HD1  LEU  68          2HD1      LEU  68  -3.661  -0.661   1.901
  547   3HD1  LEU  68          3HD1      LEU  68  -4.564  -1.271   3.288
  548   1HD2  LEU  68          1HD2      LEU  68  -2.697   2.562   3.394
  549   2HD2  LEU  68          2HD2      LEU  68  -2.669   1.568   1.947
  550   3HD2  LEU  68          3HD2      LEU  68  -4.186   2.367   2.434
  551    H    THR  69           H        THR  69  -4.103   1.361   8.395
  552    HA   THR  69           HA       THR  69  -6.661   2.633   9.029
  553    HB   THR  69           HB       THR  69  -4.692   1.023  10.441
  554    HG1  THR  69           1HG      THR  69  -6.373   0.034  11.029
  555   1HG2  THR  69          1HG2      THR  69  -5.923   3.265  12.048
  556   2HG2  THR  69          2HG2      THR  69  -5.396   1.726  12.743
  557   3HG2  THR  69          3HG2      THR  69  -4.223   2.747  11.944
  558    H    ASN  70           H        ASN  70  -3.253   3.516   9.520
  559    HA   ASN  70           HA       ASN  70  -3.741   6.349   9.464
  560   1HB   ASN  70          2HB       ASN  70  -4.647   5.792  11.757
  561   2HB   ASN  70          3HB       ASN  70  -3.035   5.249  12.220
  562   1HD2  ASN  70          2HD2      ASN  70  -5.005   7.735  12.732
  563   2HD2  ASN  70          1HD2      ASN  70  -3.832   9.062  12.616
  564    HA   PRO  71           HA       PRO  71   0.348   4.533   8.427
  565   1HB   PRO  71          2HB       PRO  71   1.073   6.189   6.338
  566   2HB   PRO  71          3HB       PRO  71  -0.040   4.793   6.180
  567   1HG   PRO  71          2HG       PRO  71  -0.758   7.713   6.536
  568   2HG   PRO  71          3HG       PRO  71  -1.437   6.524   5.380
  569   1HD   PRO  71          2HD       PRO  71  -2.683   7.138   7.704
  570   2HD   PRO  71          3HD       PRO  71  -2.724   5.473   7.050
  571    H    LYS  72           H        LYS  72  -0.408   7.852   9.156
  572    HA   LYS  72           HA       LYS  72   2.314   8.770   9.665
  573   1HB   LYS  72          2HB       LYS  72  -0.441   9.882  10.313
  574   2HB   LYS  72          3HB       LYS  72   1.056  10.718  10.757
  575   1HG   LYS  72          2HG       LYS  72   1.729  11.016   8.489
  576   2HG   LYS  72          3HG       LYS  72   0.518   9.872   7.881
  577   1HD   LYS  72          2HD       LYS  72  -1.300  11.332   8.573
  578   2HD   LYS  72          3HD       LYS  72  -0.151  12.526   9.229
  579   1HE   LYS  72          2HE       LYS  72   0.652  13.120   7.090
  580   2HE   LYS  72          3HE       LYS  72   0.147  11.577   6.380
  581   1HZ   LYS  72          1HZ       LYS  72  -1.776  13.662   7.243
  582   2HZ   LYS  72          2HZ       LYS  72  -1.352  13.301   5.668
  583   3HZ   LYS  72          3HZ       LYS  72  -2.098  12.186   6.538
  584    H    LYS  73           H        LYS  73  -0.178   7.395  11.753
  585    HA   LYS  73           HA       LYS  73   1.653   7.618  14.105
  586   1HB   LYS  73          2HB       LYS  73  -1.095   6.358  13.750
  587   2HB   LYS  73          3HB       LYS  73  -0.049   5.911  15.101
  588   1HG   LYS  73          2HG       LYS  73   0.236   8.455  15.523
  589   2HG   LYS  73          3HG       LYS  73  -1.188   8.659  14.489
  590   1HD   LYS  73          2HD       LYS  73  -2.529   7.302  16.031
  591   2HD   LYS  73          3HD       LYS  73  -1.073   6.850  16.950
  592   1HE   LYS  73          2HE       LYS  73  -0.686   9.290  17.441
  593   2HE   LYS  73          3HE       LYS  73  -2.247   9.654  16.696
  594   1HZ   LYS  73          1HZ       LYS  73  -1.806   7.920  19.071
  595   2HZ   LYS  73          2HZ       LYS  73  -2.451   9.427  19.094
  596   3HZ   LYS  73          3HZ       LYS  73  -3.275   8.194  18.382
  597    H    TYR  74           H        TYR  74   0.790   5.081  11.724
  598    HA   TYR  74           HA       TYR  74   2.342   3.051  12.973
  599   1HB   TYR  74          2HB       TYR  74   0.663   3.061  10.915
  600   2HB   TYR  74          3HB       TYR  74   2.133   3.292   9.989
  601    HD1  TYR  74           HD1      TYR  74  -0.055   0.939  11.586
  602    HD2  TYR  74           HD2      TYR  74   4.064   1.502  10.387
  603    HE1  TYR  74           HE1      TYR  74   0.368  -1.507  11.822
  604    HE2  TYR  74           HE2      TYR  74   4.443  -0.961  10.620
  605    HH   TYR  74           HH       TYR  74   2.198  -3.235  10.815
  606    H    ILE  75           H        ILE  75   3.272   5.558  10.610
  607    HA   ILE  75           HA       ILE  75   6.164   5.130  11.170
  608    HB   ILE  75           HB       ILE  75   4.955   5.557   8.427
  609   1HG1  ILE  75          2HG1      ILE  75   5.986   3.013   9.717
  610   2HG1  ILE  75          3HG1      ILE  75   4.364   3.345   9.103
  611   1HG2  ILE  75          1HG2      ILE  75   7.789   4.901   9.368
  612   2HG2  ILE  75          2HG2      ILE  75   7.295   5.150   7.677
  613   3HG2  ILE  75          3HG2      ILE  75   7.261   6.497   8.799
  614   1HD1  ILE  75          1HD1      ILE  75   6.852   2.811   7.505
  615   2HD1  ILE  75          2HD1      ILE  75   5.313   1.953   7.495
  616   3HD1  ILE  75          3HD1      ILE  75   5.421   3.579   6.784
  617    HA   PRO  76           HA       PRO  76   4.922   9.552  11.841
  618   1HB   PRO  76          2HB       PRO  76   6.536  10.044  14.001
  619   2HB   PRO  76          3HB       PRO  76   4.914   9.292  14.118
  620   1HG   PRO  76          2HG       PRO  76   7.608   7.907  14.061
  621   2HG   PRO  76          3HG       PRO  76   6.235   7.619  15.178
  622   1HD   PRO  76          2HD       PRO  76   6.671   6.054  13.005
  623   2HD   PRO  76          3HD       PRO  76   5.008   6.470  13.517
  624    H    GLY  77           H        GLY  77   5.757  10.619  10.232
  625   1HA   GLY  77          1HA       GLY  77   7.583  12.055   9.371
  626   2HA   GLY  77          2HA       GLY  77   8.727  10.791   9.796
  627    H    THR  78           H        THR  78   6.111   9.116   8.569
  628    HA   THR  78           HA       THR  78   7.313   8.406   6.123
  629    HB   THR  78           HB       THR  78   5.606   7.066   7.187
  630    HG1  THR  78           1HG      THR  78   4.715   6.380   5.324
  631   1HG2  THR  78          1HG2      THR  78   3.488   8.946   6.071
  632   2HG2  THR  78          2HG2      THR  78   3.239   7.445   6.982
  633   3HG2  THR  78          3HG2      THR  78   3.919   8.872   7.786
  634    H    LYS  79           H        LYS  79   7.277   9.080   4.132
  635    HA   LYS  79           HA       LYS  79   6.078  11.618   3.312
  636   1HB   LYS  79          2HB       LYS  79   8.234  10.893   2.598
  637   2HB   LYS  79          3HB       LYS  79   7.589   9.441   1.842
  638   1HG   LYS  79          2HG       LYS  79   6.615  10.799   0.048
  639   2HG   LYS  79          3HG       LYS  79   6.985  12.288   0.921
  640   1HD   LYS  79          2HD       LYS  79   9.178  12.276   0.340
  641   2HD   LYS  79          3HD       LYS  79   9.369  10.549   0.562
  642   1HE   LYS  79          2HE       LYS  79   8.102  11.789  -1.914
  643   2HE   LYS  79          3HE       LYS  79   9.810  11.345  -1.734
  644   1HZ   LYS  79          1HZ       LYS  79   7.514   9.545  -1.939
  645   2HZ   LYS  79          2HZ       LYS  79   8.968   9.419  -2.652
  646   3HZ   LYS  79          3HZ       LYS  79   8.811   9.053  -1.059
  647    H    MET  80           H        MET  80   4.649   8.548   3.744
  648    HA   MET  80           HA       MET  80   2.560   8.878   1.750
  649   1HB   MET  80          2HB       MET  80   3.154   6.666   2.653
  650   2HB   MET  80          3HB       MET  80   2.646   7.159   4.264
  651   1HG   MET  80          2HG       MET  80   0.447   7.126   3.765
  652   2HG   MET  80          3HG       MET  80   0.666   7.605   2.088
  653   1HE   MET  80          1HE       MET  80  -1.556   5.893   1.903
  654   2HE   MET  80          2HE       MET  80  -1.425   4.150   2.223
  655   3HE   MET  80          3HE       MET  80  -1.323   5.298   3.567
  656    H    ALA  81           H        ALA  81   2.275  11.126   2.116
  657    HA   ALA  81           HA       ALA  81   1.224  12.329   4.399
  658   1HB   ALA  81          1HB       ALA  81   0.771  13.077   1.474
  659   2HB   ALA  81          2HB       ALA  81   0.604  14.173   2.859
  660   3HB   ALA  81          3HB       ALA  81   2.194  13.505   2.452
  661    H    PHE  82           H        PHE  82  -0.282   9.931   3.264
  662    HA   PHE  82           HA       PHE  82  -3.021  10.520   2.702
  663   1HB   PHE  82          2HB       PHE  82  -1.600   8.516   2.080
  664   2HB   PHE  82          3HB       PHE  82  -1.732   7.971   3.740
  665    HD1  PHE  82           HD1      PHE  82  -3.493   6.434   4.255
  666    HD2  PHE  82           HD2      PHE  82  -3.795   8.972   0.776
  667    HE1  PHE  82           HE1      PHE  82  -5.478   5.165   3.498
  668    HE2  PHE  82           HE2      PHE  82  -5.771   7.685   0.014
  669    HZ   PHE  82           HZ       PHE  82  -6.606   5.785   1.359
  670    H    GLY  83           H        GLY  83  -4.740   9.200   4.046
  671   1HA   GLY  83          1HA       GLY  83  -4.763  10.360   6.823
  672   2HA   GLY  83          2HA       GLY  83  -6.180  10.109   5.813
  673    H    GLY  84           H        GLY  84  -6.594   7.760   5.209
  674   1HA   GLY  84          1HA       GLY  84  -5.871   5.416   6.180
  675   2HA   GLY  84          2HA       GLY  84  -6.485   6.123   7.680
  676    H    LEU  85           H        LEU  85  -7.382   4.104   5.250
  677    HA   LEU  85           HA       LEU  85 -10.151   5.100   4.858
  678   1HB   LEU  85          2HB       LEU  85  -8.595   2.758   3.708
  679   2HB   LEU  85          3HB       LEU  85 -10.307   3.019   3.403
  680    HG   LEU  85           HG       LEU  85  -8.156   5.054   2.725
  681   1HD1  LEU  85          1HD1      LEU  85  -9.618   3.093   0.902
  682   2HD1  LEU  85          2HD1      LEU  85  -8.401   4.298   0.417
  683   3HD1  LEU  85          3HD1      LEU  85  -7.934   2.933   1.437
  684   1HD2  LEU  85          1HD2      LEU  85 -10.399   6.080   2.968
  685   2HD2  LEU  85          2HD2      LEU  85  -9.899   6.067   1.288
  686   3HD2  LEU  85          3HD2      LEU  85 -11.083   4.865   1.861
  687    H    LYS  86           H        LYS  86 -10.488   4.997   7.141
  688    HA   LYS  86           HA       LYS  86 -11.019   2.442   8.486
  689   1HB   LYS  86          2HB       LYS  86 -11.768   5.321   9.107
  690   2HB   LYS  86          3HB       LYS  86 -12.248   3.971  10.128
  691   1HG   LYS  86          2HG       LYS  86  -9.346   4.678   9.510
  692   2HG   LYS  86          3HG       LYS  86 -10.253   5.152  10.950
  693   1HD   LYS  86          2HD       LYS  86 -10.683   2.627  11.336
  694   2HD   LYS  86          3HD       LYS  86  -9.405   2.352  10.128
  695   1HE   LYS  86          2HE       LYS  86  -7.858   3.747  11.486
  696   2HE   LYS  86          3HE       LYS  86  -9.132   3.984  12.692
  697   1HZ   LYS  86          1HZ       LYS  86  -7.866   1.402  11.958
  698   2HZ   LYS  86          2HZ       LYS  86  -7.642   2.164  13.356
  699   3HZ   LYS  86          3HZ       LYS  86  -9.121   1.511  13.007
  700    H    LYS  87           H        LYS  87 -12.094   2.033   6.184
  701    HA   LYS  87           HA       LYS  87 -14.853   1.388   7.020
  702   1HB   LYS  87          2HB       LYS  87 -14.072   2.411   4.254
  703   2HB   LYS  87          3HB       LYS  87 -15.502   1.417   4.562
  704   1HG   LYS  87          2HG       LYS  87 -16.246   3.143   6.269
  705   2HG   LYS  87          3HG       LYS  87 -14.925   4.183   5.693
  706   1HD   LYS  87          2HD       LYS  87 -15.876   4.097   3.394
  707   2HD   LYS  87          3HD       LYS  87 -17.181   3.039   3.981
  708   1HE   LYS  87          2HE       LYS  87 -17.845   4.836   5.608
  709   2HE   LYS  87          3HE       LYS  87 -16.621   5.895   4.896
  710   1HZ   LYS  87          1HZ       LYS  87 -18.968   4.748   3.482
  711   2HZ   LYS  87          2HZ       LYS  87 -18.760   6.322   3.891
  712   3HZ   LYS  87          3HZ       LYS  87 -17.792   5.632   2.751
  713    H    GLU  88           H        GLU  88 -14.416  -0.554   7.622
  714    HA   GLU  88           HA       GLU  88 -12.486  -2.340   6.738
  715   1HB   GLU  88          2HB       GLU  88 -15.211  -2.850   8.008
  716   2HB   GLU  88          3HB       GLU  88 -13.977  -4.090   7.822
  717   1HG   GLU  88          2HG       GLU  88 -14.040  -3.106  10.109
  718   2HG   GLU  88          3HG       GLU  88 -12.469  -2.999   9.321
  719    H    LYS  89           H        LYS  89 -15.825  -2.080   5.529
  720    HA   LYS  89           HA       LYS  89 -15.882  -4.226   3.650
  721   1HB   LYS  89          2HB       LYS  89 -17.203  -1.508   3.424
  722   2HB   LYS  89          3HB       LYS  89 -17.736  -3.002   2.687
  723   1HG   LYS  89          2HG       LYS  89 -17.728  -2.433   5.690
  724   2HG   LYS  89          3HG       LYS  89 -19.084  -2.221   4.605
  725   1HD   LYS  89          2HD       LYS  89 -19.103  -4.647   4.096
  726   2HD   LYS  89          3HD       LYS  89 -17.695  -4.886   5.157
  727   1HE   LYS  89          2HE       LYS  89 -18.976  -4.048   7.093
  728   2HE   LYS  89          3HE       LYS  89 -20.370  -3.718   6.058
  729   1HZ   LYS  89          1HZ       LYS  89 -19.225  -6.394   6.641
  730   2HZ   LYS  89          2HZ       LYS  89 -20.654  -5.817   7.194
  731   3HZ   LYS  89          3HZ       LYS  89 -20.466  -6.136   5.596
  732    H    ASP  90           H        ASP  90 -15.086  -0.872   3.189
  733    HA   ASP  90           HA       ASP  90 -14.364  -0.828   0.432
  734   1HB   ASP  90          2HB       ASP  90 -14.683   1.043   2.378
  735   2HB   ASP  90          3HB       ASP  90 -12.933   1.008   2.340
  736    H    ARG  91           H        ARG  91 -12.235  -1.089   3.323
  737    HA   ARG  91           HA       ARG  91  -9.822  -1.673   1.918
  738   1HB   ARG  91          2HB       ARG  91 -10.626  -2.483   4.747
  739   2HB   ARG  91          3HB       ARG  91  -9.014  -2.706   4.055
  740   1HG   ARG  91          2HG       ARG  91  -9.077  -0.150   3.570
  741   2HG   ARG  91          3HG       ARG  91 -10.413  -0.112   4.711
  742   1HD   ARG  91          2HD       ARG  91  -7.538  -1.014   5.195
  743   2HD   ARG  91          3HD       ARG  91  -8.291   0.436   5.834
  744    HE   ARG  91           HE       ARG  91  -8.232  -2.089   7.085
  745   1HH1  ARG  91          1HH2      ARG  91 -10.516   0.534   6.714
  746   2HH1  ARG  91          2HH2      ARG  91 -11.366   0.031   8.218
  747   1HH2  ARG  91          1HH1      ARG  91  -9.358  -2.443   9.081
  748   2HH2  ARG  91          2HH1      ARG  91 -10.789  -1.451   9.338
  749    H    ASN  92           H        ASN  92 -12.269  -4.025   3.043
  750    HA   ASN  92           HA       ASN  92 -10.593  -6.316   2.539
  751   1HB   ASN  92          2HB       ASN  92 -13.578  -5.996   2.830
  752   2HB   ASN  92          3HB       ASN  92 -12.910  -7.518   2.248
  753   1HD2  ASN  92          2HD2      ASN  92 -13.067  -5.394   5.094
  754   2HD2  ASN  92          1HD2      ASN  92 -12.536  -6.708   6.170
  755    H    ASP  93           H        ASP  93 -12.931  -4.753   0.254
  756    HA   ASP  93           HA       ASP  93 -12.101  -6.473  -1.959
  757   1HB   ASP  93          2HB       ASP  93 -13.818  -4.033  -1.625
  758   2HB   ASP  93          3HB       ASP  93 -13.111  -4.300  -3.207
  759    H    LEU  94           H        LEU  94 -11.113  -3.188  -0.907
  760    HA   LEU  94           HA       LEU  94  -9.440  -2.500  -3.078
  761   1HB   LEU  94          2HB       LEU  94 -10.152  -1.100  -1.038
  762   2HB   LEU  94          3HB       LEU  94  -8.877  -1.887  -0.146
  763    HG   LEU  94           HG       LEU  94  -8.077   0.217  -0.681
  764   1HD1  LEU  94          1HD1      LEU  94  -6.849  -1.310  -2.987
  765   2HD1  LEU  94          2HD1      LEU  94  -6.171   0.057  -2.076
  766   3HD1  LEU  94          3HD1      LEU  94  -6.361  -1.516  -1.282
  767   1HD2  LEU  94          1HD2      LEU  94  -9.729   0.904  -2.239
  768   2HD2  LEU  94          2HD2      LEU  94  -8.135   1.230  -2.932
  769   3HD2  LEU  94          3HD2      LEU  94  -9.072  -0.169  -3.511
  770    H    ILE  95           H        ILE  95  -8.513  -4.123  -0.055
  771    HA   ILE  95           HA       ILE  95  -5.805  -4.706  -0.896
  772    HB   ILE  95           HB       ILE  95  -7.493  -5.727   1.408
  773   1HG1  ILE  95          2HG1      ILE  95  -5.196  -3.699   1.271
  774   2HG1  ILE  95          3HG1      ILE  95  -6.903  -3.269   1.353
  775   1HG2  ILE  95          1HG2      ILE  95  -4.515  -6.147   0.866
  776   2HG2  ILE  95          2HG2      ILE  95  -5.361  -6.575   2.374
  777   3HG2  ILE  95          3HG2      ILE  95  -5.762  -7.414   0.890
  778   1HD1  ILE  95          1HD1      ILE  95  -5.274  -4.613   3.510
  779   2HD1  ILE  95          2HD1      ILE  95  -6.084  -3.040   3.547
  780   3HD1  ILE  95          3HD1      ILE  95  -7.057  -4.520   3.538
  781    H    THR  96           H        THR  96  -8.853  -6.744  -0.872
  782    HA   THR  96           HA       THR  96  -7.459  -9.051  -1.822
  783    HB   THR  96           HB       THR  96 -10.315  -8.367  -2.606
  784    HG1  THR  96           1HG      THR  96 -10.140  -8.359  -0.398
  785   1HG2  THR  96          1HG2      THR  96  -8.707 -10.960  -2.411
  786   2HG2  THR  96          2HG2      THR  96 -10.465 -10.914  -2.535
  787   3HG2  THR  96          3HG2      THR  96  -9.477 -10.286  -3.870
  788    H    TYR  97           H        TYR  97  -8.794  -6.304  -3.672
  789    HA   TYR  97           HA       TYR  97  -7.988  -7.246  -6.287
  790   1HB   TYR  97          2HB       TYR  97  -9.429  -5.413  -6.340
  791   2HB   TYR  97          3HB       TYR  97  -8.547  -4.539  -5.096
  792    HD1  TYR  97           HD1      TYR  97  -8.176  -5.740  -8.639
  793    HD2  TYR  97           HD2      TYR  97  -6.879  -2.973  -5.606
  794    HE1  TYR  97           HE1      TYR  97  -6.815  -4.517 -10.336
  795    HE2  TYR  97           HE2      TYR  97  -5.457  -1.806  -7.298
  796    HH   TYR  97           HH       TYR  97  -5.270  -2.847 -10.662
  797    H    LEU  98           H        LEU  98  -6.301  -5.028  -4.021
  798    HA   LEU  98           HA       LEU  98  -4.035  -4.700  -5.677
  799   1HB   LEU  98          2HB       LEU  98  -4.874  -3.647  -3.258
  800   2HB   LEU  98          3HB       LEU  98  -3.514  -4.595  -2.720
  801    HG   LEU  98           HG       LEU  98  -3.444  -2.453  -4.899
  802   1HD1  LEU  98          1HD1      LEU  98  -2.432  -2.431  -2.019
  803   2HD1  LEU  98          2HD1      LEU  98  -2.240  -1.126  -3.203
  804   3HD1  LEU  98          3HD1      LEU  98  -3.858  -1.573  -2.632
  805   1HD2  LEU  98          1HD2      LEU  98  -1.605  -4.111  -5.209
  806   2HD2  LEU  98          2HD2      LEU  98  -1.005  -2.530  -4.702
  807   3HD2  LEU  98          3HD2      LEU  98  -1.101  -3.863  -3.531
  808    H    LYS  99           H        LYS  99  -4.558  -6.958  -3.087
  809    HA   LYS  99           HA       LYS  99  -2.119  -8.471  -3.225
  810   1HB   LYS  99          2HB       LYS  99  -3.789  -8.490  -1.397
  811   2HB   LYS  99          3HB       LYS  99  -4.917  -9.382  -2.409
  812   1HG   LYS  99          2HG       LYS  99  -2.125 -10.468  -1.877
  813   2HG   LYS  99          3HG       LYS  99  -3.350 -10.526  -0.625
  814   1HD   LYS  99          2HD       LYS  99  -4.861 -11.673  -2.482
  815   2HD   LYS  99          3HD       LYS  99  -3.304 -11.976  -3.269
  816   1HE   LYS  99          2HE       LYS  99  -3.516 -13.891  -1.925
  817   2HE   LYS  99          3HE       LYS  99  -2.545 -12.830  -0.914
  818   1HZ   LYS  99          1HZ       LYS  99  -5.443 -13.379  -0.607
  819   2HZ   LYS  99          2HZ       LYS  99  -4.243 -13.496   0.539
  820   3HZ   LYS  99          3HZ       LYS  99  -4.784 -12.080   0.065
  821    H    LYS 100           H        LYS 100  -5.167  -8.845  -5.084
  822    HA   LYS 100           HA       LYS 100  -4.150 -11.101  -6.653
  823   1HB   LYS 100          2HB       LYS 100  -6.545 -10.499  -6.142
  824   2HB   LYS 100          3HB       LYS 100  -6.452  -9.215  -7.315
  825   1HG   LYS 100          2HG       LYS 100  -7.600 -11.205  -8.162
  826   2HG   LYS 100          3HG       LYS 100  -6.218 -10.787  -9.152
  827   1HD   LYS 100          2HD       LYS 100  -5.794 -12.831  -6.976
  828   2HD   LYS 100          3HD       LYS 100  -6.792 -13.311  -8.356
  829   1HE   LYS 100          2HE       LYS 100  -4.993 -12.817  -9.942
  830   2HE   LYS 100          3HE       LYS 100  -4.020 -12.112  -8.642
  831   1HZ   LYS 100          1HZ       LYS 100  -4.639 -14.999  -8.773
  832   2HZ   LYS 100          2HZ       LYS 100  -3.157 -14.205  -8.925
  833   3HZ   LYS 100          3HZ       LYS 100  -3.841 -14.135  -7.568
  834    H    ALA 101           H        ALA 101  -3.691  -7.810  -6.893
  835    HA   ALA 101           HA       ALA 101  -2.652  -7.861  -9.683
  836   1HB   ALA 101          1HB       ALA 101  -2.330  -5.651  -7.630
  837   2HB   ALA 101          2HB       ALA 101  -2.068  -5.554  -9.380
  838   3HB   ALA 101          3HB       ALA 101  -3.707  -5.804  -8.743
  839    H    THR 102           H        THR 102  -1.396  -8.657  -6.553
  840    HA   THR 102           HA       THR 102   1.410  -8.737  -7.597
  841    HB   THR 102           HB       THR 102   2.137  -8.898  -5.307
  842    HG1  THR 102           1HG      THR 102  -0.052  -9.734  -4.566
  843   1HG2  THR 102          1HG2      THR 102   0.216  -6.556  -5.519
  844   2HG2  THR 102          2HG2      THR 102   1.781  -6.632  -4.688
  845   3HG2  THR 102          3HG2      THR 102   1.701  -6.680  -6.464
  846    H    GLU 103           H        GLU 103  -1.173 -10.773  -6.304
  847    HA   GLU 103           HA       GLU 103   0.400 -13.286  -6.610
  848   1HB   GLU 103          2HB       GLU 103  -1.459 -12.510  -4.325
  849   2HB   GLU 103          3HB       GLU 103  -0.827 -14.125  -4.612
  850   1HG   GLU 103          2HG       GLU 103   1.487 -13.224  -4.208
  851   2HG   GLU 103          3HG       GLU 103   0.748 -11.684  -3.741
  852    HHA  HEC 104           HHA      HEC 104   5.210   3.449   1.276
  853    HHB  HEC 104           HHB      HEC 104  -0.370   0.416   0.111
  854    HHC  HEC 104           HHC      HEC 104  -3.149   6.139  -1.225
  855    HHD  HEC 104           HHD      HEC 104   2.641   8.928  -0.911
  856   1HMA  HEC 104          1HMA      HEC 104   1.417  -0.906   1.888
  857   2HMA  HEC 104          2HMA      HEC 104   1.396  -1.120   0.123
  858   3HMA  HEC 104          3HMA      HEC 104   2.899  -1.335   1.020
  859   1HAA  HEC 104          1HAA      HEC 104   4.506  -0.238   1.969
  860   2HAA  HEC 104          2HAA      HEC 104   5.089   1.360   2.403
  861   1HBA  HEC 104          1HBA      HEC 104   6.132   1.570   0.160
  862   2HBA  HEC 104          2HBA      HEC 104   5.472   0.002  -0.295
  863   1HMB  HEC 104          1HMB      HEC 104  -3.761   0.649  -0.086
  864   2HMB  HEC 104          2HMB      HEC 104  -3.487   0.774  -1.834
  865   3HMB  HEC 104          3HMB      HEC 104  -2.277   0.023  -0.804
  866    HAB  HEC 104           HAB      HEC 104  -4.582   4.722  -1.349
  867   1HBB  HEC 104          1HBB      HEC 104  -5.106   3.747   0.807
  868   2HBB  HEC 104          2HBB      HEC 104  -6.400   3.568  -0.388
  869   3HBB  HEC 104          3HBB      HEC 104  -5.400   2.174   0.030
  870   1HMC  HEC 104          1HMC      HEC 104  -3.463   8.393  -1.392
  871   2HMC  HEC 104          2HMC      HEC 104  -2.575   9.759  -2.059
  872   3HMC  HEC 104          3HMC      HEC 104  -2.698   8.246  -2.974
  873    HAC  HEC 104           HAC      HEC 104   1.346  10.194  -1.832
  874   1HBC  HEC 104          1HBC      HEC 104   0.090  11.112   0.025
  875   2HBC  HEC 104          2HBC      HEC 104   0.129  12.199  -1.377
  876   3HBC  HEC 104          3HBC      HEC 104  -1.342  11.281  -1.007
  877   1HMD  HEC 104          1HMD      HEC 104   6.159   8.596   0.272
  878   2HMD  HEC 104          2HMD      HEC 104   5.800   8.209  -1.410
  879   3HMD  HEC 104          3HMD      HEC 104   4.747   9.314  -0.514
  880   1HAD  HEC 104          1HAD      HEC 104   6.372   5.202   2.092
  881   2HAD  HEC 104          2HAD      HEC 104   6.420   6.944   2.008
  882   1HBD  HEC 104          1HBD      HEC 104   7.332   6.171  -0.527
  883   2HBD  HEC 104          2HBD      HEC 104   8.011   4.945   0.535
  Start of MODEL   18
    1   1H    THR  -5          H1        THR  -5 -10.539 -16.462  13.199
    2   2H    THR  -5          H2        THR  -5 -10.448 -16.767  11.608
    3   3H    THR  -5          H3        THR  -5 -11.802 -17.209  12.440
    4    HA   THR  -5           HA       THR  -5 -12.205 -15.210  11.121
    5    HB   THR  -5           HB       THR  -5 -12.885 -13.708  13.094
    6    HG1  THR  -5           1HG      THR  -5 -11.482 -14.372  14.625
    7   1HG2  THR  -5          1HG2      THR  -5 -13.807 -16.620  13.142
    8   2HG2  THR  -5          2HG2      THR  -5 -14.661 -15.223  13.816
    9   3HG2  THR  -5          3HG2      THR  -5 -14.436 -15.345  12.064
   10    H    GLU  -4           H        GLU  -4 -10.382 -14.549  10.034
   11    HA   GLU  -4           HA       GLU  -4  -8.467 -12.706  11.293
   12   1HB   GLU  -4          2HB       GLU  -4  -8.426 -14.301   8.684
   13   2HB   GLU  -4          3HB       GLU  -4  -7.090 -13.400   9.377
   14   1HG   GLU  -4          2HG       GLU  -4  -6.727 -15.747   9.718
   15   2HG   GLU  -4          3HG       GLU  -4  -6.982 -14.954  11.274
   16    H    PHE  -3           H        PHE  -3 -10.413 -13.021   8.324
   17    HA   PHE  -3           HA       PHE  -3 -10.332 -10.158   7.675
   18   1HB   PHE  -3          2HB       PHE  -3  -8.183 -11.030   6.861
   19   2HB   PHE  -3          3HB       PHE  -3  -8.977 -12.402   6.114
   20    HD1  PHE  -3           HD1      PHE  -3  -9.114  -8.623   5.970
   21    HD2  PHE  -3           HD2      PHE  -3  -9.033 -12.347   3.805
   22    HE1  PHE  -3           HE1      PHE  -3  -9.095  -7.390   3.806
   23    HE2  PHE  -3           HE2      PHE  -3  -9.037 -11.119   1.674
   24    HZ   PHE  -3           HZ       PHE  -3  -9.125  -8.630   1.649
   25    H    LYS  -2           H        LYS  -2 -11.559  -9.944   5.472
   26    HA   LYS  -2           HA       LYS  -2 -13.265 -12.206   4.731
   27   1HB   LYS  -2          2HB       LYS  -2 -14.608 -10.914   6.419
   28   2HB   LYS  -2          3HB       LYS  -2 -14.618  -9.540   5.325
   29   1HG   LYS  -2          2HG       LYS  -2 -15.869 -12.296   4.887
   30   2HG   LYS  -2          3HG       LYS  -2 -16.717 -10.774   5.181
   31   1HD   LYS  -2          2HD       LYS  -2 -15.756  -9.914   2.990
   32   2HD   LYS  -2          3HD       LYS  -2 -15.146 -11.565   2.728
   33   1HE   LYS  -2          2HE       LYS  -2 -17.383 -12.471   2.706
   34   2HE   LYS  -2          3HE       LYS  -2 -18.071 -10.853   2.955
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.246 -11.475   0.694
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.885 -11.606   0.536
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.154 -10.160   0.852
   38    H    ALA  -1           H        ALA  -1 -12.239 -12.357   2.845
   39    HA   ALA  -1           HA       ALA  -1 -11.369 -10.373   1.123
   40   1HB   ALA  -1          1HB       ALA  -1 -12.511 -13.097   0.369
   41   2HB   ALA  -1          2HB       ALA  -1 -11.444 -12.100  -0.636
   42   3HB   ALA  -1          3HB       ALA  -1 -10.841 -12.775   0.892
   43    H    GLY   1           H        GLY   1 -12.189  -8.923  -0.174
   44   1HA   GLY   1          1HA       GLY   1 -15.098  -8.590  -0.587
   45   2HA   GLY   1          2HA       GLY   1 -13.791  -7.527  -1.111
   46    H    SER   2           H        SER   2 -14.258  -7.377  -3.255
   47    HA   SER   2           HA       SER   2 -13.656  -9.872  -4.833
   48   1HB   SER   2          2HB       SER   2 -16.093  -9.308  -5.060
   49   2HB   SER   2          3HB       SER   2 -15.596  -7.788  -5.834
   50    HG   SER   2           HG       SER   2 -15.509 -10.390  -6.768
   51    H    ALA   3           H        ALA   3 -11.946  -9.681  -6.133
   52    HA   ALA   3           HA       ALA   3 -10.249  -7.500  -5.904
   53   1HB   ALA   3          1HB       ALA   3 -10.334  -9.583  -8.130
   54   2HB   ALA   3          2HB       ALA   3  -8.953  -8.536  -7.746
   55   3HB   ALA   3          3HB       ALA   3  -9.504  -9.731  -6.562
   56    H    LYS   4           H        LYS   4 -12.824  -7.832  -8.344
   57    HA   LYS   4           HA       LYS   4 -11.772  -5.524  -9.814
   58   1HB   LYS   4          2HB       LYS   4 -13.014  -7.452 -10.889
   59   2HB   LYS   4          3HB       LYS   4 -14.512  -6.758 -10.247
   60   1HG   LYS   4          2HG       LYS   4 -14.210  -4.739 -11.565
   61   2HG   LYS   4          3HG       LYS   4 -12.538  -5.175 -11.960
   62   1HD   LYS   4          2HD       LYS   4 -13.359  -7.141 -13.240
   63   2HD   LYS   4          3HD       LYS   4 -15.028  -6.648 -12.935
   64   1HE   LYS   4          2HE       LYS   4 -12.918  -4.939 -14.347
   65   2HE   LYS   4          3HE       LYS   4 -14.064  -5.985 -15.188
   66   1HZ   LYS   4          1HZ       LYS   4 -14.804  -3.681 -13.470
   67   2HZ   LYS   4          2HZ       LYS   4 -14.882  -3.722 -15.114
   68   3HZ   LYS   4          3HZ       LYS   4 -15.873  -4.677 -14.224
   69    H    LYS   5           H        LYS   5 -13.674  -5.766  -7.139
   70    HA   LYS   5           HA       LYS   5 -14.945  -3.066  -7.277
   71   1HB   LYS   5          2HB       LYS   5 -15.812  -5.099  -5.913
   72   2HB   LYS   5          3HB       LYS   5 -14.556  -4.720  -4.753
   73   1HG   LYS   5          2HG       LYS   5 -16.818  -2.860  -5.639
   74   2HG   LYS   5          3HG       LYS   5 -16.796  -3.854  -4.186
   75   1HD   LYS   5          2HD       LYS   5 -14.703  -2.523  -3.493
   76   2HD   LYS   5          3HD       LYS   5 -15.141  -1.375  -4.758
   77   1HE   LYS   5          2HE       LYS   5 -16.851  -0.498  -3.523
   78   2HE   LYS   5          3HE       LYS   5 -17.453  -2.112  -3.116
   79   1HZ   LYS   5          1HZ       LYS   5 -15.356  -0.632  -1.604
   80   2HZ   LYS   5          2HZ       LYS   5 -16.818  -1.084  -1.097
   81   3HZ   LYS   5          3HZ       LYS   5 -15.720  -2.252  -1.414
   82    H    GLY   6           H        GLY   6 -12.350  -4.615  -5.359
   83   1HA   GLY   6          1HA       GLY   6 -11.035  -2.341  -4.345
   84   2HA   GLY   6          2HA       GLY   6 -10.248  -3.841  -4.738
   85    H    ALA   7           H        ALA   7 -10.532  -3.818  -7.589
   86    HA   ALA   7           HA       ALA   7  -8.565  -2.072  -8.546
   87   1HB   ALA   7          1HB       ALA   7 -10.903  -3.199 -10.152
   88   2HB   ALA   7          2HB       ALA   7  -9.322  -2.688 -10.770
   89   3HB   ALA   7          3HB       ALA   7  -9.441  -4.106  -9.719
   90    H    THR   8           H        THR   8 -12.148  -1.536  -8.798
   91    HA   THR   8           HA       THR   8 -11.887   1.089  -9.971
   92    HB   THR   8           HB       THR   8 -14.184   1.517  -9.314
   93    HG1  THR   8           1HG      THR   8 -13.790  -0.639  -7.599
   94   1HG2  THR   8          1HG2      THR   8 -13.854  -1.311 -10.378
   95   2HG2  THR   8          2HG2      THR   8 -15.281  -0.273 -10.541
   96   3HG2  THR   8          3HG2      THR   8 -13.764   0.185 -11.341
   97    H    LEU   9           H        LEU   9 -11.687   0.014  -6.643
   98    HA   LEU   9           HA       LEU   9 -12.032   2.607  -5.449
   99   1HB   LEU   9          2HB       LEU   9 -10.839   0.035  -4.397
  100   2HB   LEU   9          3HB       LEU   9 -10.901   1.517  -3.449
  101    HG   LEU   9           HG       LEU   9 -13.361   0.362  -4.752
  102   1HD1  LEU   9          1HD1      LEU   9 -12.077  -0.169  -2.014
  103   2HD1  LEU   9          2HD1      LEU   9 -13.755  -0.531  -2.355
  104   3HD1  LEU   9          3HD1      LEU   9 -12.498  -1.372  -3.252
  105   1HD2  LEU   9          1HD2      LEU   9 -13.579   2.695  -4.016
  106   2HD2  LEU   9          2HD2      LEU   9 -14.546   1.618  -3.012
  107   3HD2  LEU   9          3HD2      LEU   9 -12.994   2.214  -2.398
  108    H    PHE  10           H        PHE  10  -9.165   0.510  -5.878
  109    HA   PHE  10           HA       PHE  10  -7.104   2.191  -5.130
  110   1HB   PHE  10          2HB       PHE  10  -6.867  -0.178  -5.732
  111   2HB   PHE  10          3HB       PHE  10  -7.213   0.186  -7.413
  112    HD1  PHE  10           HD1      PHE  10  -5.464   0.832  -8.903
  113    HD2  PHE  10           HD2      PHE  10  -4.756   0.756  -4.651
  114    HE1  PHE  10           HE1      PHE  10  -3.033   1.207  -9.282
  115    HE2  PHE  10           HE2      PHE  10  -2.344   1.202  -5.056
  116    HZ   PHE  10           HZ       PHE  10  -1.486   1.437  -7.368
  117    H    LYS  11           H        LYS  11  -8.779   2.163  -8.225
  118    HA   LYS  11           HA       LYS  11  -7.089   3.967  -9.665
  119   1HB   LYS  11          2HB       LYS  11  -8.993   2.364 -10.467
  120   2HB   LYS  11          3HB       LYS  11 -10.069   3.739 -10.184
  121   1HG   LYS  11          2HG       LYS  11  -8.686   5.098 -11.773
  122   2HG   LYS  11          3HG       LYS  11  -7.591   3.716 -11.965
  123   1HD   LYS  11          2HD       LYS  11  -9.529   2.367 -12.863
  124   2HD   LYS  11          3HD       LYS  11 -10.502   3.843 -12.799
  125   1HE   LYS  11          2HE       LYS  11  -9.737   3.646 -15.050
  126   2HE   LYS  11          3HE       LYS  11  -8.831   4.966 -14.309
  127   1HZ   LYS  11          1HZ       LYS  11  -7.821   2.197 -14.733
  128   2HZ   LYS  11          2HZ       LYS  11  -7.370   3.516 -15.593
  129   3HZ   LYS  11          3HZ       LYS  11  -6.966   3.391 -14.006
  130    H    THR  12           H        THR  12  -9.632   4.645  -7.377
  131    HA   THR  12           HA       THR  12  -8.992   7.552  -7.452
  132    HB   THR  12           HB       THR  12 -11.072   7.209  -8.625
  133    HG1  THR  12           1HG      THR  12 -12.214   8.732  -7.424
  134   1HG2  THR  12          1HG2      THR  12 -12.303   6.266  -6.012
  135   2HG2  THR  12          2HG2      THR  12 -13.135   6.589  -7.543
  136   3HG2  THR  12          3HG2      THR  12 -12.006   5.233  -7.424
  137    H    ARG  13           H        ARG  13  -7.722   5.744  -5.938
  138    HA   ARG  13           HA       ARG  13  -8.111   6.960  -3.235
  139   1HB   ARG  13          2HB       ARG  13  -7.642   3.983  -3.747
  140   2HB   ARG  13          3HB       ARG  13  -7.450   4.754  -2.177
  141   1HG   ARG  13          2HG       ARG  13 -10.082   4.645  -3.692
  142   2HG   ARG  13          3HG       ARG  13  -9.546   3.456  -2.508
  143   1HD   ARG  13          2HD       ARG  13  -9.438   5.261  -0.819
  144   2HD   ARG  13          3HD       ARG  13 -10.039   6.418  -2.011
  145    HE   ARG  13           HE       ARG  13 -11.599   4.256  -0.693
  146   1HH1  ARG  13          1HH2      ARG  13 -11.603   6.441  -3.466
  147   2HH1  ARG  13          2HH2      ARG  13 -13.329   6.300  -3.625
  148   1HH2  ARG  13          1HH1      ARG  13 -13.684   3.981  -1.049
  149   2HH2  ARG  13          2HH1      ARG  13 -14.460   4.825  -2.360
  150    H    CYS  14           H        CYS  14  -5.977   4.669  -4.907
  151    HA   CYS  14           HA       CYS  14  -3.656   5.879  -3.483
  152   1HB   CYS  14          2HB       CYS  14  -3.867   3.146  -4.661
  153   2HB   CYS  14          3HB       CYS  14  -2.796   3.665  -3.376
  154    H    LEU  15           H        LEU  15  -4.796   4.669  -6.644
  155    HA   LEU  15           HA       LEU  15  -2.452   4.568  -8.079
  156   1HB   LEU  15          2HB       LEU  15  -4.641   3.743  -8.812
  157   2HB   LEU  15          3HB       LEU  15  -5.212   5.404  -8.988
  158    HG   LEU  15           HG       LEU  15  -3.507   5.776 -10.767
  159   1HD1  LEU  15          1HD1      LEU  15  -3.063   2.774 -10.741
  160   2HD1  LEU  15          2HD1      LEU  15  -2.347   3.960 -11.837
  161   3HD1  LEU  15          3HD1      LEU  15  -1.878   3.958 -10.136
  162   1HD2  LEU  15          1HD2      LEU  15  -5.800   5.152 -11.322
  163   2HD2  LEU  15          2HD2      LEU  15  -4.647   4.495 -12.500
  164   3HD2  LEU  15          3HD2      LEU  15  -5.347   3.420 -11.265
  165    H    GLN  16           H        GLN  16  -4.019   7.498  -7.000
  166    HA   GLN  16           HA       GLN  16  -2.793   9.411  -8.702
  167   1HB   GLN  16          2HB       GLN  16  -3.094  10.997  -6.906
  168   2HB   GLN  16          3HB       GLN  16  -4.535  10.034  -7.192
  169   1HG   GLN  16          2HG       GLN  16  -3.991   8.649  -5.171
  170   2HG   GLN  16          3HG       GLN  16  -2.600   9.699  -4.865
  171   1HE2  GLN  16          2HE2      GLN  16  -5.337   9.225  -3.323
  172   2HE2  GLN  16          1HE2      GLN  16  -5.814  10.937  -3.161
  173    H    CYS  17           H        CYS  17  -1.419   7.700  -5.861
  174    HA   CYS  17           HA       CYS  17   1.182   9.115  -6.249
  175   1HB   CYS  17          2HB       CYS  17   0.008   7.679  -3.863
  176   2HB   CYS  17          3HB       CYS  17   1.636   8.340  -3.932
  177    H    HIS  18           H        HIS  18  -0.211   6.006  -6.712
  178    HA   HIS  18           HA       HIS  18   2.439   4.611  -6.524
  179   1HB   HIS  18          1HB       HIS  18  -0.359   3.894  -5.574
  180   2HB   HIS  18          2HB       HIS  18   0.797   2.637  -5.922
  181    HD1  HIS  18           HD1      HIS  18   3.181   2.776  -4.487
  182    HD2  HIS  18           HD2      HIS  18  -0.199   4.899  -3.143
  183    HE1  HIS  18           HE1      HIS  18   3.560   3.263  -2.015
  184    H    THR  19           H        THR  19   2.476   2.481  -7.656
  185    HA   THR  19           HA       THR  19   0.583   2.141  -9.928
  186    HB   THR  19           HB       THR  19   2.411   1.367 -11.344
  187    HG1  THR  19           1HG      THR  19   4.416   2.754 -10.486
  188   1HG2  THR  19          1HG2      THR  19   2.733   4.283 -10.536
  189   2HG2  THR  19          2HG2      THR  19   3.118   3.552 -12.105
  190   3HG2  THR  19          3HG2      THR  19   1.430   3.658 -11.574
  191    H    VAL  20           H        VAL  20   0.577  -0.106 -10.769
  192    HA   VAL  20           HA       VAL  20   0.819  -2.117  -8.568
  193    HB   VAL  20           HB       VAL  20  -1.239  -0.807  -8.429
  194   1HG1  VAL  20          1HG1      VAL  20  -2.034  -2.065 -11.081
  195   2HG1  VAL  20          2HG1      VAL  20  -3.061  -1.066 -10.047
  196   3HG1  VAL  20          3HG1      VAL  20  -1.651  -0.350 -10.833
  197   1HG2  VAL  20          1HG2      VAL  20  -1.143  -3.210  -7.662
  198   2HG2  VAL  20          2HG2      VAL  20  -2.745  -2.487  -7.914
  199   3HG2  VAL  20          3HG2      VAL  20  -2.078  -3.574  -9.136
  200    H    GLU  21           H        GLU  21   1.253  -1.519 -11.688
  201    HA   GLU  21           HA       GLU  21   1.246  -4.397 -12.527
  202   1HB   GLU  21          2HB       GLU  21   1.571  -2.277 -14.585
  203   2HB   GLU  21          3HB       GLU  21   0.849  -3.859 -14.732
  204   1HG   GLU  21          2HG       GLU  21  -1.260  -3.088 -13.796
  205   2HG   GLU  21          3HG       GLU  21  -0.561  -1.525 -13.351
  206    H    LYS  22           H        LYS  22   3.337  -5.083 -13.560
  207    HA   LYS  22           HA       LYS  22   5.508  -3.617 -12.437
  208   1HB   LYS  22          2HB       LYS  22   5.021  -6.252 -13.048
  209   2HB   LYS  22          3HB       LYS  22   6.130  -5.804 -14.360
  210   1HG   LYS  22          2HG       LYS  22   7.681  -4.818 -12.701
  211   2HG   LYS  22          3HG       LYS  22   6.559  -5.194 -11.381
  212   1HD   LYS  22          2HD       LYS  22   6.752  -7.632 -11.992
  213   2HD   LYS  22          3HD       LYS  22   7.907  -7.159 -13.221
  214   1HE   LYS  22          2HE       LYS  22   8.023  -6.812 -10.174
  215   2HE   LYS  22          3HE       LYS  22   9.068  -7.886 -11.111
  216   1HZ   LYS  22          1HZ       LYS  22   9.162  -4.873 -11.156
  217   2HZ   LYS  22          2HZ       LYS  22  10.241  -5.749 -10.437
  218   3HZ   LYS  22          3HZ       LYS  22  10.143  -5.834 -12.051
  219    H    GLY  23           H        GLY  23   4.013  -2.943 -15.307
  220   1HA   GLY  23          1HA       GLY  23   6.419  -1.727 -16.574
  221   2HA   GLY  23          2HA       GLY  23   4.745  -1.554 -17.110
  222    H    GLY  24           H        GLY  24   4.403  -1.059 -13.918
  223   1HA   GLY  24          1HA       GLY  24   3.849   1.683 -14.080
  224   2HA   GLY  24          2HA       GLY  24   3.944   0.694 -12.632
  225    HA   PRO  25           HA       PRO  25   8.085   3.132 -12.908
  226   1HB   PRO  25          2HB       PRO  25   7.666   5.803 -13.331
  227   2HB   PRO  25          3HB       PRO  25   8.035   4.666 -14.663
  228   1HG   PRO  25          2HG       PRO  25   5.310   5.648 -13.754
  229   2HG   PRO  25          3HG       PRO  25   5.970   5.610 -15.422
  230   1HD   PRO  25          2HD       PRO  25   4.341   3.657 -14.473
  231   2HD   PRO  25          3HD       PRO  25   5.702   3.270 -15.571
  232    H    HIS  26           H        HIS  26   8.681   4.554 -11.129
  233    HA   HIS  26           HA       HIS  26   6.771   4.609  -8.907
  234   1HB   HIS  26          2HB       HIS  26   9.579   5.753  -9.148
  235   2HB   HIS  26          3HB       HIS  26   8.638   5.586  -7.664
  236    HD1  HIS  26           HD1      HIS  26   7.710   2.457  -8.677
  237    HD2  HIS  26           HD2      HIS  26  11.532   4.121  -8.185
  238    HE1  HIS  26           HE1      HIS  26   9.309   0.517  -8.124
  239    H    LYS  27           H        LYS  27   6.465   6.606  -7.705
  240    HA   LYS  27           HA       LYS  27   5.889   9.047  -9.296
  241   1HB   LYS  27          2HB       LYS  27   4.078   6.971  -8.020
  242   2HB   LYS  27          3HB       LYS  27   3.587   8.638  -7.869
  243   1HG   LYS  27          2HG       LYS  27   3.721   8.891 -10.353
  244   2HG   LYS  27          3HG       LYS  27   3.994   7.135 -10.472
  245   1HD   LYS  27          2HD       LYS  27   1.848   6.654  -9.455
  246   2HD   LYS  27          3HD       LYS  27   1.678   8.321  -8.892
  247   1HE   LYS  27          2HE       LYS  27   1.726   8.967 -11.409
  248   2HE   LYS  27          3HE       LYS  27   1.328   7.259 -11.693
  249   1HZ   LYS  27          1HZ       LYS  27  -0.192   9.083  -9.893
  250   2HZ   LYS  27          2HZ       LYS  27  -0.678   8.686 -11.424
  251   3HZ   LYS  27          3HZ       LYS  27  -0.607   7.554 -10.223
  252    H    VAL  28           H        VAL  28   4.371  10.159  -7.221
  253    HA   VAL  28           HA       VAL  28   5.851  11.193  -5.072
  254    HB   VAL  28           HB       VAL  28   3.001  10.117  -4.951
  255   1HG1  VAL  28          1HG1      VAL  28   4.408  12.278  -3.319
  256   2HG1  VAL  28          2HG1      VAL  28   2.677  11.887  -3.232
  257   3HG1  VAL  28          3HG1      VAL  28   3.872  10.696  -2.718
  258   1HG2  VAL  28          1HG2      VAL  28   3.158  11.688  -6.829
  259   2HG2  VAL  28          2HG2      VAL  28   2.283  12.426  -5.491
  260   3HG2  VAL  28          3HG2      VAL  28   3.974  12.876  -5.785
  261    H    GLY  29           H        GLY  29   4.355   7.942  -5.367
  262   1HA   GLY  29          1HA       GLY  29   6.209   6.933  -3.296
  263   2HA   GLY  29          2HA       GLY  29   4.513   6.425  -3.348
  264    HA   PRO  30           HA       PRO  30   7.389   3.762  -5.930
  265   1HB   PRO  30          2HB       PRO  30   7.252   1.397  -4.556
  266   2HB   PRO  30          3HB       PRO  30   8.269   2.780  -4.060
  267   1HG   PRO  30          2HG       PRO  30   5.490   2.075  -3.056
  268   2HG   PRO  30          3HG       PRO  30   6.976   2.382  -2.089
  269   1HD   PRO  30          2HD       PRO  30   5.209   4.381  -2.533
  270   2HD   PRO  30          3HD       PRO  30   6.952   4.685  -2.595
  271    H    ASN  31           H        ASN  31   7.009   1.327  -6.661
  272    HA   ASN  31           HA       ASN  31   4.293   0.938  -7.800
  273   1HB   ASN  31          2HB       ASN  31   6.499   0.508  -9.099
  274   2HB   ASN  31          3HB       ASN  31   6.723  -0.886  -8.038
  275   1HD2  ASN  31          2HD2      ASN  31   6.016  -0.336 -11.095
  276   2HD2  ASN  31          1HD2      ASN  31   4.695  -1.488 -11.302
  277    H    LEU  32           H        LEU  32   3.199  -1.093  -7.183
  278    HA   LEU  32           HA       LEU  32   3.893  -2.154  -4.466
  279   1HB   LEU  32          2HB       LEU  32   1.167  -1.620  -5.701
  280   2HB   LEU  32          3HB       LEU  32   1.450  -2.408  -4.157
  281    HG   LEU  32           HG       LEU  32   2.203   0.472  -4.812
  282   1HD1  LEU  32          1HD1      LEU  32  -0.012  -0.630  -3.045
  283   2HD1  LEU  32          2HD1      LEU  32   0.362   1.084  -3.311
  284   3HD1  LEU  32          3HD1      LEU  32  -0.238   0.087  -4.653
  285   1HD2  LEU  32          1HD2      LEU  32   3.702  -0.406  -3.087
  286   2HD2  LEU  32          2HD2      LEU  32   2.533   0.675  -2.332
  287   3HD2  LEU  32          3HD2      LEU  32   2.327  -1.081  -2.186
  288    H    HIS  33           H        HIS  33   3.463  -3.046  -7.758
  289    HA   HIS  33           HA       HIS  33   2.480  -5.762  -7.522
  290   1HB   HIS  33          2HB       HIS  33   2.551  -4.378  -9.589
  291   2HB   HIS  33          3HB       HIS  33   4.302  -4.405  -9.560
  292    HD1  HIS  33           HD1      HIS  33   1.327  -6.792 -10.194
  293    HD2  HIS  33           HD2      HIS  33   5.523  -6.711 -10.200
  294    HE1  HIS  33           HE1      HIS  33   2.114  -8.832 -11.526
  295    H    GLY  34           H        GLY  34   3.484  -6.799  -5.859
  296   1HA   GLY  34          1HA       GLY  34   5.174  -8.643  -5.653
  297   2HA   GLY  34          2HA       GLY  34   6.398  -7.510  -6.180
  298    H    ILE  35           H        ILE  35   4.470  -5.734  -4.048
  299    HA   ILE  35           HA       ILE  35   6.575  -5.820  -2.073
  300    HB   ILE  35           HB       ILE  35   5.270  -4.247  -0.759
  301   1HG1  ILE  35          2HG1      ILE  35   3.138  -3.346  -2.145
  302   2HG1  ILE  35          3HG1      ILE  35   3.010  -5.045  -2.578
  303   1HG2  ILE  35          1HG2      ILE  35   5.422  -3.607  -3.727
  304   2HG2  ILE  35          2HG2      ILE  35   5.299  -2.428  -2.395
  305   3HG2  ILE  35          3HG2      ILE  35   6.712  -3.459  -2.518
  306   1HD1  ILE  35          1HD1      ILE  35   3.013  -3.879   0.231
  307   2HD1  ILE  35          2HD1      ILE  35   1.652  -4.601  -0.665
  308   3HD1  ILE  35          3HD1      ILE  35   2.978  -5.613  -0.117
  309    H    PHE  36           H        PHE  36   3.595  -7.637  -2.237
  310    HA   PHE  36           HA       PHE  36   3.289  -8.131   0.545
  311   1HB   PHE  36          2HB       PHE  36   2.248  -9.574  -1.901
  312   2HB   PHE  36          3HB       PHE  36   1.917 -10.130  -0.267
  313    HD1  PHE  36           HD1      PHE  36   1.086  -7.554  -2.765
  314    HD2  PHE  36           HD2      PHE  36   0.690  -8.720   1.373
  315    HE1  PHE  36           HE1      PHE  36  -0.742  -5.922  -2.480
  316    HE2  PHE  36           HE2      PHE  36  -1.137  -7.073   1.660
  317    HZ   PHE  36           HZ       PHE  36  -1.874  -5.684  -0.257
  318    H    GLY  37           H        GLY  37   4.492  -9.149   1.835
  319   1HA   GLY  37          1HA       GLY  37   5.900 -10.844   2.750
  320   2HA   GLY  37          2HA       GLY  37   6.140 -11.529   1.143
  321    H    ARG  38           H        ARG  38   6.715  -8.344   0.616
  322    HA   ARG  38           HA       ARG  38   9.598  -8.456   1.290
  323   1HB   ARG  38          2HB       ARG  38   8.380  -7.430  -0.934
  324   2HB   ARG  38          3HB       ARG  38   8.314  -6.001   0.073
  325   1HG   ARG  38          2HG       ARG  38  10.297  -5.816  -1.209
  326   2HG   ARG  38          3HG       ARG  38  10.848  -6.277   0.402
  327   1HD   ARG  38          2HD       ARG  38  10.697  -8.737  -0.535
  328   2HD   ARG  38          3HD       ARG  38  10.661  -7.922  -2.108
  329    HE   ARG  38           HE       ARG  38  12.837  -6.856  -0.565
  330   1HH1  ARG  38          1HH2      ARG  38  12.101  -9.883  -2.105
  331   2HH1  ARG  38          2HH2      ARG  38  13.786 -10.279  -2.315
  332   1HH2  ARG  38          1HH1      ARG  38  14.831  -7.391  -0.702
  333   2HH2  ARG  38          2HH1      ARG  38  15.371  -8.888  -1.456
  334    H    HIS  39           H        HIS  39  10.343  -6.152   2.101
  335    HA   HIS  39           HA       HIS  39   8.929  -5.702   4.681
  336   1HB   HIS  39          2HB       HIS  39  11.902  -5.706   4.071
  337   2HB   HIS  39          3HB       HIS  39  11.186  -5.180   5.591
  338    HD1  HIS  39           HD1      HIS  39  11.863  -8.427   3.637
  339    HD2  HIS  39           HD2      HIS  39  10.252  -7.031   7.261
  340    HE1  HIS  39           HE1      HIS  39  11.528 -10.481   5.124
  341    H    SER  40           H        SER  40   8.360  -3.600   5.088
  342    HA   SER  40           HA       SER  40   8.119  -1.674   3.249
  343   1HB   SER  40          2HB       SER  40   8.848  -0.692   5.990
  344   2HB   SER  40          3HB       SER  40   7.617  -0.086   4.887
  345    HG   SER  40           HG       SER  40   6.368  -1.922   5.383
  346    H    GLY  41           H        GLY  41   9.240  -0.415   2.058
  347   1HA   GLY  41          1HA       GLY  41  11.025   1.250   1.737
  348   2HA   GLY  41          2HA       GLY  41  12.062   0.357   2.823
  349    H    GLN  42           H        GLN  42  10.504  -1.673   0.486
  350    HA   GLN  42           HA       GLN  42  13.079  -1.816  -1.049
  351   1HB   GLN  42          2HB       GLN  42  11.409  -4.043   0.136
  352   2HB   GLN  42          3HB       GLN  42  12.688  -4.306  -1.070
  353   1HG   GLN  42          2HG       GLN  42  14.275  -3.054   0.454
  354   2HG   GLN  42          3HG       GLN  42  13.021  -3.100   1.693
  355   1HE2  GLN  42          2HE2      GLN  42  13.941  -4.495   3.165
  356   2HE2  GLN  42          1HE2      GLN  42  14.514  -6.109   2.762
  357    H    ALA  43           H        ALA  43  10.919  -0.326  -2.034
  358    HA   ALA  43           HA       ALA  43  10.150  -1.566  -4.547
  359   1HB   ALA  43          1HB       ALA  43  10.634   1.349  -3.795
  360   2HB   ALA  43          2HB       ALA  43   9.844   0.780  -5.279
  361   3HB   ALA  43          3HB       ALA  43   9.095   0.460  -3.704
  362    H    GLU  44           H        GLU  44  11.087  -0.516  -6.616
  363    HA   GLU  44           HA       GLU  44  13.615  -1.861  -6.789
  364   1HB   GLU  44          2HB       GLU  44  11.755  -0.714  -8.911
  365   2HB   GLU  44          3HB       GLU  44  13.172  -1.735  -9.232
  366   1HG   GLU  44          2HG       GLU  44  12.201  -3.489  -7.729
  367   2HG   GLU  44          3HG       GLU  44  10.745  -2.522  -7.537
  368    H    GLY  45           H        GLY  45  14.741  -0.213  -5.483
  369   1HA   GLY  45          1HA       GLY  45  16.843   0.935  -5.708
  370   2HA   GLY  45          2HA       GLY  45  16.403   1.439  -7.334
  371    H    TYR  46           H        TYR  46  14.071   1.955  -4.828
  372    HA   TYR  46           HA       TYR  46  14.373   4.910  -5.177
  373   1HB   TYR  46          2HB       TYR  46  12.554   3.824  -6.244
  374   2HB   TYR  46          3HB       TYR  46  11.993   3.112  -4.756
  375    HD1  TYR  46           HD1      TYR  46  11.716   5.962  -6.958
  376    HD2  TYR  46           HD2      TYR  46  11.377   4.730  -2.870
  377    HE1  TYR  46           HE1      TYR  46   9.994   7.728  -6.597
  378    HE2  TYR  46           HE2      TYR  46   9.612   6.506  -2.486
  379    HH   TYR  46           HH       TYR  46   8.323   8.493  -5.136
  380    H    SER  47           H        SER  47  14.540   6.313  -3.595
  381    HA   SER  47           HA       SER  47  15.097   5.347  -0.897
  382   1HB   SER  47          2HB       SER  47  15.438   8.053  -2.211
  383   2HB   SER  47          3HB       SER  47  15.886   7.690  -0.528
  384    HG   SER  47           HG       SER  47  17.642   7.356  -2.030
  385    H    TYR  48           H        TYR  48  13.428   5.002   0.359
  386    HA   TYR  48           HA       TYR  48  11.006   6.505   0.589
  387   1HB   TYR  48          2HB       TYR  48  12.363   4.373   2.279
  388   2HB   TYR  48          3HB       TYR  48  10.780   5.030   2.666
  389    HD1  TYR  48           HD1      TYR  48   8.921   3.946   2.038
  390    HD2  TYR  48           HD2      TYR  48  12.525   3.369  -0.289
  391    HE1  TYR  48           HE1      TYR  48   7.814   2.172   0.739
  392    HE2  TYR  48           HE2      TYR  48  11.390   1.641  -1.606
  393    HH   TYR  48           HH       TYR  48   8.411   0.285  -0.464
  394    H    THR  49           H        THR  49  11.794   6.052   3.744
  395    HA   THR  49           HA       THR  49  12.958   8.690   4.399
  396    HB   THR  49           HB       THR  49  11.202   8.889   6.200
  397    HG1  THR  49           1HG      THR  49   9.607   7.154   4.643
  398   1HG2  THR  49          1HG2      THR  49  10.133   8.966   3.359
  399   2HG2  THR  49          2HG2      THR  49   9.414   9.754   4.771
  400   3HG2  THR  49          3HG2      THR  49  11.012  10.267   4.200
  401    H    ASP  50           H        ASP  50  13.724   8.763   6.632
  402    HA   ASP  50           HA       ASP  50  15.127   6.498   7.546
  403   1HB   ASP  50          2HB       ASP  50  15.645   8.818   8.128
  404   2HB   ASP  50          3HB       ASP  50  14.128   8.968   9.032
  405    H    ALA  51           H        ALA  51  12.092   7.817   8.879
  406    HA   ALA  51           HA       ALA  51  11.607   5.923  10.857
  407   1HB   ALA  51          1HB       ALA  51   9.628   7.540   9.191
  408   2HB   ALA  51          2HB       ALA  51   9.280   6.786  10.762
  409   3HB   ALA  51          3HB       ALA  51  10.470   8.093  10.655
  410    H    ASN  52           H        ASN  52  10.880   5.599   7.411
  411    HA   ASN  52           HA       ASN  52   9.238   3.198   7.680
  412   1HB   ASN  52          2HB       ASN  52   8.881   4.773   5.851
  413   2HB   ASN  52          3HB       ASN  52  10.554   4.606   5.311
  414   1HD2  ASN  52          2HD2      ASN  52  11.143   2.748   4.055
  415   2HD2  ASN  52          1HD2      ASN  52   9.863   1.633   3.569
  416    H    ILE  53           H        ILE  53  12.617   3.855   6.775
  417    HA   ILE  53           HA       ILE  53  13.403   1.125   6.205
  418    HB   ILE  53           HB       ILE  53  14.931   3.538   7.163
  419   1HG1  ILE  53          2HG1      ILE  53  14.903   2.320   4.350
  420   2HG1  ILE  53          3HG1      ILE  53  13.777   3.579   4.823
  421   1HG2  ILE  53          1HG2      ILE  53  16.018   0.895   6.070
  422   2HG2  ILE  53          2HG2      ILE  53  17.003   2.345   6.360
  423   3HG2  ILE  53          3HG2      ILE  53  16.244   1.524   7.715
  424   1HD1  ILE  53          1HD1      ILE  53  16.799   3.870   4.710
  425   2HD1  ILE  53          2HD1      ILE  53  15.588   4.614   3.653
  426   3HD1  ILE  53          3HD1      ILE  53  15.684   5.099   5.357
  427    H    LYS  54           H        LYS  54  13.665   3.154   9.175
  428    HA   LYS  54           HA       LYS  54  14.379   1.002  10.957
  429   1HB   LYS  54          2HB       LYS  54  13.081   3.718  11.439
  430   2HB   LYS  54          3HB       LYS  54  13.693   2.649  12.716
  431   1HG   LYS  54          2HG       LYS  54  15.953   2.705  11.692
  432   2HG   LYS  54          3HG       LYS  54  15.377   3.828  10.458
  433   1HD   LYS  54          2HD       LYS  54  14.753   5.462  12.174
  434   2HD   LYS  54          3HD       LYS  54  15.362   4.391  13.457
  435   1HE   LYS  54          2HE       LYS  54  17.622   4.607  12.745
  436   2HE   LYS  54          3HE       LYS  54  17.132   5.130  11.118
  437   1HZ   LYS  54          1HZ       LYS  54  16.717   6.841  13.498
  438   2HZ   LYS  54          2HZ       LYS  54  17.917   7.021  12.329
  439   3HZ   LYS  54          3HZ       LYS  54  16.372   7.147  11.923
  440    H    LYS  55           H        LYS  55  11.676   1.103   9.256
  441    HA   LYS  55           HA       LYS  55   9.967  -0.130  11.391
  442   1HB   LYS  55          2HB       LYS  55   9.145   1.745   9.536
  443   2HB   LYS  55          3HB       LYS  55   8.743   0.258   8.689
  444   1HG   LYS  55          2HG       LYS  55   6.810   0.763   9.962
  445   2HG   LYS  55          3HG       LYS  55   7.623  -0.494  10.908
  446   1HD   LYS  55          2HD       LYS  55   8.773   1.521  12.167
  447   2HD   LYS  55          3HD       LYS  55   7.536   2.513  11.387
  448   1HE   LYS  55          2HE       LYS  55   5.798   0.946  12.387
  449   2HE   LYS  55          3HE       LYS  55   7.119   0.147  13.267
  450   1HZ   LYS  55          1HZ       LYS  55   6.222   2.954  13.460
  451   2HZ   LYS  55          2HZ       LYS  55   6.127   1.834  14.648
  452   3HZ   LYS  55          3HZ       LYS  55   7.609   2.423  14.197
  453    H    ASN  56           H        ASN  56  10.990  -0.767   8.071
  454    HA   ASN  56           HA       ASN  56  10.693  -2.678   6.768
  455   1HB   ASN  56          2HB       ASN  56  12.478  -3.511   9.082
  456   2HB   ASN  56          3HB       ASN  56  12.217  -4.542   7.692
  457   1HD2  ASN  56          2HD2      ASN  56  12.232  -1.868   5.822
  458   2HD2  ASN  56          1HD2      ASN  56  13.984  -1.726   5.852
  459    H    VAL  57           H        VAL  57   8.276  -2.486   7.675
  460    HA   VAL  57           HA       VAL  57   7.379  -4.878   9.111
  461    HB   VAL  57           HB       VAL  57   6.198  -2.373   8.315
  462   1HG1  VAL  57          1HG1      VAL  57   4.481  -4.749   7.495
  463   2HG1  VAL  57          2HG1      VAL  57   3.957  -3.049   7.642
  464   3HG1  VAL  57          3HG1      VAL  57   5.119  -3.500   6.412
  465   1HG2  VAL  57          1HG2      VAL  57   6.209  -3.330  10.538
  466   2HG2  VAL  57          2HG2      VAL  57   4.550  -3.006   9.976
  467   3HG2  VAL  57          3HG2      VAL  57   5.178  -4.672   9.999
  468    H    LEU  58           H        LEU  58   7.157  -6.786   8.372
  469    HA   LEU  58           HA       LEU  58   7.472  -7.471   5.561
  470   1HB   LEU  58          2HB       LEU  58   8.079  -9.010   7.385
  471   2HB   LEU  58          3HB       LEU  58   6.387  -9.184   7.836
  472    HG   LEU  58           HG       LEU  58   7.247  -9.736   4.967
  473   1HD1  LEU  58          1HD1      LEU  58   7.489 -11.720   7.263
  474   2HD1  LEU  58          2HD1      LEU  58   7.733 -12.063   5.531
  475   3HD1  LEU  58          3HD1      LEU  58   8.837 -10.973   6.379
  476   1HD2  LEU  58          1HD2      LEU  58   4.823  -9.879   5.406
  477   2HD2  LEU  58          2HD2      LEU  58   5.465 -11.490   5.119
  478   3HD2  LEU  58          3HD2      LEU  58   5.109 -10.965   6.777
  479    H    TRP  59           H        TRP  59   6.026  -6.779   4.185
  480    HA   TRP  59           HA       TRP  59   3.336  -6.065   4.810
  481   1HB   TRP  59          2HB       TRP  59   4.664  -6.574   2.145
  482   2HB   TRP  59          3HB       TRP  59   3.051  -5.885   2.324
  483    HD1  TRP  59           HD1      TRP  59   6.378  -4.708   1.690
  484    HE1  TRP  59           HE1      TRP  59   6.682  -2.276   2.319
  485    HE3  TRP  59           HE3      TRP  59   2.243  -4.141   4.662
  486    HZ2  TRP  59           HZ2      TRP  59   5.440  -0.351   4.017
  487    HZ3  TRP  59           HZ3      TRP  59   1.831  -2.008   5.813
  488    HH2  TRP  59           HH2      TRP  59   3.399  -0.063   5.501
  489    H    ASP  60           H        ASP  60   2.639  -7.834   5.911
  490    HA   ASP  60           HA       ASP  60   1.269 -10.018   4.454
  491   1HB   ASP  60          2HB       ASP  60   1.993 -10.630   6.619
  492   2HB   ASP  60          3HB       ASP  60   1.529  -9.074   7.307
  493    H    GLU  61           H        GLU  61  -1.114 -10.173   4.885
  494    HA   GLU  61           HA       GLU  61  -2.321  -7.888   3.505
  495   1HB   GLU  61          2HB       GLU  61  -4.324  -9.214   3.316
  496   2HB   GLU  61          3HB       GLU  61  -2.882 -10.059   2.777
  497   1HG   GLU  61          2HG       GLU  61  -2.875 -11.400   4.872
  498   2HG   GLU  61          3HG       GLU  61  -4.379 -10.601   5.359
  499    H    ASN  62           H        ASN  62  -2.582  -9.145   6.805
  500    HA   ASN  62           HA       ASN  62  -4.430  -6.905   7.509
  501   1HB   ASN  62          2HB       ASN  62  -3.726  -9.522   8.749
  502   2HB   ASN  62          3HB       ASN  62  -3.923  -8.183   9.884
  503   1HD2  ASN  62          2HD2      ASN  62  -5.588 -10.626   9.200
  504   2HD2  ASN  62          1HD2      ASN  62  -7.206  -9.896   9.163
  505    H    ASN  63           H        ASN  63  -1.052  -7.810   7.969
  506    HA   ASN  63           HA       ASN  63  -0.376  -5.616   9.707
  507   1HB   ASN  63          2HB       ASN  63   1.072  -7.569   9.009
  508   2HB   ASN  63          3HB       ASN  63   1.350  -6.745   7.470
  509   1HD2  ASN  63          2HD2      ASN  63   1.477  -3.958   8.872
  510   2HD2  ASN  63          1HD2      ASN  63   3.140  -4.150   9.469
  511    H    MET  64           H        MET  64  -0.823  -5.731   6.162
  512    HA   MET  64           HA       MET  64  -0.436  -2.883   5.744
  513   1HB   MET  64          2HB       MET  64  -0.275  -4.413   3.885
  514   2HB   MET  64          3HB       MET  64  -1.913  -4.986   4.158
  515   1HG   MET  64          2HG       MET  64  -2.834  -2.774   3.629
  516   2HG   MET  64          3HG       MET  64  -1.204  -2.116   3.448
  517   1HE   MET  64          1HE       MET  64   0.108  -4.706   1.526
  518   2HE   MET  64          2HE       MET  64   0.050  -3.528   0.186
  519   3HE   MET  64          3HE       MET  64   0.454  -3.001   1.837
  520    H    SER  65           H        SER  65  -3.339  -4.824   6.716
  521    HA   SER  65           HA       SER  65  -5.169  -2.675   6.229
  522   1HB   SER  65          2HB       SER  65  -6.849  -3.961   7.183
  523   2HB   SER  65          3HB       SER  65  -5.723  -5.161   6.528
  524    HG   SER  65           HG       SER  65  -6.156  -5.873   8.569
  525    H    GLU  66           H        GLU  66  -3.365  -3.503   9.153
  526    HA   GLU  66           HA       GLU  66  -4.308  -1.367  10.815
  527   1HB   GLU  66          2HB       GLU  66  -2.808  -3.510  11.260
  528   2HB   GLU  66          3HB       GLU  66  -1.469  -2.396  11.049
  529   1HG   GLU  66          2HG       GLU  66  -3.754  -1.690  12.932
  530   2HG   GLU  66          3HG       GLU  66  -2.611  -2.934  13.403
  531    H    TYR  67           H        TYR  67  -1.353  -1.517   8.780
  532    HA   TYR  67           HA       TYR  67  -0.548   1.182   8.932
  533   1HB   TYR  67          2HB       TYR  67   0.784  -0.600   7.919
  534   2HB   TYR  67          3HB       TYR  67  -0.381  -0.778   6.623
  535    HD1  TYR  67           HD1      TYR  67   0.001   0.333   4.576
  536    HD2  TYR  67           HD2      TYR  67   1.841   1.761   8.178
  537    HE1  TYR  67           HE1      TYR  67   1.353   1.955   3.236
  538    HE2  TYR  67           HE2      TYR  67   3.140   3.458   6.852
  539    HH   TYR  67           HH       TYR  67   3.841   3.991   4.686
  540    H    LEU  68           H        LEU  68  -3.028  -0.213   6.723
  541    HA   LEU  68           HA       LEU  68  -3.695   2.419   5.630
  542   1HB   LEU  68          2HB       LEU  68  -5.060  -0.279   5.373
  543   2HB   LEU  68          3HB       LEU  68  -5.521   1.187   4.504
  544    HG   LEU  68           HG       LEU  68  -2.867  -0.252   4.185
  545   1HD1  LEU  68          1HD1      LEU  68  -5.285  -0.012   2.351
  546   2HD1  LEU  68          2HD1      LEU  68  -3.770  -0.874   2.000
  547   3HD1  LEU  68          3HD1      LEU  68  -4.826  -1.459   3.283
  548   1HD2  LEU  68          1HD2      LEU  68  -2.546   2.128   3.761
  549   2HD2  LEU  68          2HD2      LEU  68  -2.557   1.241   2.244
  550   3HD2  LEU  68          3HD2      LEU  68  -3.999   2.167   2.719
  551    H    THR  69           H        THR  69  -4.478   1.013   8.596
  552    HA   THR  69           HA       THR  69  -7.021   2.430   9.015
  553    HB   THR  69           HB       THR  69  -5.085   1.578  11.122
  554    HG1  THR  69           1HG      THR  69  -5.867  -0.174   9.768
  555   1HG2  THR  69          1HG2      THR  69  -8.062   2.169  11.203
  556   2HG2  THR  69          2HG2      THR  69  -7.101   1.524  12.542
  557   3HG2  THR  69          3HG2      THR  69  -6.767   3.153  11.933
  558    H    ASN  70           H        ASN  70  -3.597   2.948   9.947
  559    HA   ASN  70           HA       ASN  70  -3.841   5.801   9.413
  560   1HB   ASN  70          2HB       ASN  70  -4.775   5.519  11.710
  561   2HB   ASN  70          3HB       ASN  70  -3.197   4.968  12.249
  562   1HD2  ASN  70          2HD2      ASN  70  -4.709   7.400  13.081
  563   2HD2  ASN  70          1HD2      ASN  70  -3.642   8.723  12.609
  564    HA   PRO  71           HA       PRO  71   0.240   3.982   8.350
  565   1HB   PRO  71          2HB       PRO  71   0.866   5.613   6.226
  566   2HB   PRO  71          3HB       PRO  71  -0.282   4.248   6.104
  567   1HG   PRO  71          2HG       PRO  71  -0.919   7.181   6.548
  568   2HG   PRO  71          3HG       PRO  71  -1.674   6.062   5.379
  569   1HD   PRO  71          2HD       PRO  71  -2.806   6.596   7.784
  570   2HD   PRO  71          3HD       PRO  71  -2.898   4.956   7.068
  571    H    LYS  72           H        LYS  72  -0.531   7.371   8.810
  572    HA   LYS  72           HA       LYS  72   2.151   8.364   9.329
  573   1HB   LYS  72          2HB       LYS  72  -0.619   9.482   9.961
  574   2HB   LYS  72          3HB       LYS  72   0.890  10.366  10.228
  575   1HG   LYS  72          2HG       LYS  72   1.423  10.362   7.866
  576   2HG   LYS  72          3HG       LYS  72   0.049   9.306   7.491
  577   1HD   LYS  72          2HD       LYS  72  -1.543  11.020   8.190
  578   2HD   LYS  72          3HD       LYS  72  -0.219  12.097   8.691
  579   1HE   LYS  72          2HE       LYS  72   0.600  12.276   6.418
  580   2HE   LYS  72          3HE       LYS  72  -0.503  11.017   5.857
  581   1HZ   LYS  72          1HZ       LYS  72  -1.443  13.628   6.932
  582   2HZ   LYS  72          2HZ       LYS  72  -1.322  13.246   5.324
  583   3HZ   LYS  72          3HZ       LYS  72  -2.360  12.433   6.213
  584    H    LYS  73           H        LYS  73  -0.380   7.117  11.429
  585    HA   LYS  73           HA       LYS  73   1.082   7.415  13.956
  586   1HB   LYS  73          2HB       LYS  73  -1.232   7.007  14.131
  587   2HB   LYS  73          3HB       LYS  73  -1.208   5.699  12.970
  588   1HG   LYS  73          2HG       LYS  73   0.151   5.351  15.653
  589   2HG   LYS  73          3HG       LYS  73  -1.595   5.193  15.469
  590   1HD   LYS  73          2HD       LYS  73  -1.167   3.471  13.620
  591   2HD   LYS  73          3HD       LYS  73   0.523   3.457  14.150
  592   1HE   LYS  73          2HE       LYS  73  -0.205   2.830  16.440
  593   2HE   LYS  73          3HE       LYS  73  -1.882   2.791  15.871
  594   1HZ   LYS  73          1HZ       LYS  73   0.286   1.020  14.821
  595   2HZ   LYS  73          2HZ       LYS  73  -0.955   0.534  15.746
  596   3HZ   LYS  73          3HZ       LYS  73  -1.208   1.031  14.258
  597    H    TYR  74           H        TYR  74   0.893   4.843  11.506
  598    HA   TYR  74           HA       TYR  74   2.630   3.053  12.886
  599   1HB   TYR  74          2HB       TYR  74   0.976   2.776  10.799
  600   2HB   TYR  74          3HB       TYR  74   2.461   3.002   9.888
  601    HD1  TYR  74           HD1      TYR  74   4.391   1.373  10.269
  602    HD2  TYR  74           HD2      TYR  74   0.482   0.789  12.011
  603    HE1  TYR  74           HE1      TYR  74   5.048  -0.917  11.011
  604    HE2  TYR  74           HE2      TYR  74   1.166  -1.491  12.764
  605    HH   TYR  74           HH       TYR  74   4.299  -2.884  11.948
  606    H    ILE  75           H        ILE  75   3.348   5.490  10.405
  607    HA   ILE  75           HA       ILE  75   6.264   5.308  11.023
  608    HB   ILE  75           HB       ILE  75   5.042   5.674   8.286
  609   1HG1  ILE  75          2HG1      ILE  75   6.285   3.191   9.519
  610   2HG1  ILE  75          3HG1      ILE  75   4.618   3.394   8.977
  611   1HG2  ILE  75          1HG2      ILE  75   7.914   5.135   9.200
  612   2HG2  ILE  75          2HG2      ILE  75   7.394   5.492   7.539
  613   3HG2  ILE  75          3HG2      ILE  75   7.318   6.747   8.758
  614   1HD1  ILE  75          1HD1      ILE  75   7.068   3.224   7.230
  615   2HD1  ILE  75          2HD1      ILE  75   5.702   2.109   7.318
  616   3HD1  ILE  75          3HD1      ILE  75   5.475   3.733   6.627
  617    HA   PRO  76           HA       PRO  76   4.853   9.680  11.633
  618   1HB   PRO  76          2HB       PRO  76   6.188  10.176  13.961
  619   2HB   PRO  76          3HB       PRO  76   4.594   9.363  13.901
  620   1HG   PRO  76          2HG       PRO  76   7.328   8.074  14.123
  621   2HG   PRO  76          3HG       PRO  76   5.859   7.730  15.087
  622   1HD   PRO  76          2HD       PRO  76   6.597   6.222  12.932
  623   2HD   PRO  76          3HD       PRO  76   4.876   6.520  13.327
  624    H    GLY  77           H        GLY  77   5.952  10.316   9.870
  625   1HA   GLY  77          1HA       GLY  77   8.072  11.758   9.350
  626   2HA   GLY  77          2HA       GLY  77   8.937  10.278   9.755
  627    H    THR  78           H        THR  78   6.259   9.055   8.343
  628    HA   THR  78           HA       THR  78   7.371   8.339   5.840
  629    HB   THR  78           HB       THR  78   5.582   7.144   6.992
  630    HG1  THR  78           1HG      THR  78   5.787   7.117   4.528
  631   1HG2  THR  78          1HG2      THR  78   3.595   9.209   5.967
  632   2HG2  THR  78          2HG2      THR  78   3.268   7.768   6.946
  633   3HG2  THR  78          3HG2      THR  78   4.129   9.147   7.652
  634    H    LYS  79           H        LYS  79   6.922   8.875   3.782
  635    HA   LYS  79           HA       LYS  79   5.981  11.618   3.084
  636   1HB   LYS  79          2HB       LYS  79   7.094   9.289   1.516
  637   2HB   LYS  79          3HB       LYS  79   6.507  10.759   0.734
  638   1HG   LYS  79          2HG       LYS  79   8.291  12.059   1.505
  639   2HG   LYS  79          3HG       LYS  79   8.747  10.894   2.755
  640   1HD   LYS  79          2HD       LYS  79   9.422   9.250   1.069
  641   2HD   LYS  79          3HD       LYS  79   8.845  10.298  -0.242
  642   1HE   LYS  79          2HE       LYS  79  10.540  11.972   0.288
  643   2HE   LYS  79          3HE       LYS  79  11.078  11.033   1.694
  644   1HZ   LYS  79          1HZ       LYS  79  11.180   9.912  -1.051
  645   2HZ   LYS  79          2HZ       LYS  79  12.455  10.696  -0.361
  646   3HZ   LYS  79          3HZ       LYS  79  11.893   9.327   0.296
  647    H    MET  80           H        MET  80   4.501   8.501   3.595
  648    HA   MET  80           HA       MET  80   2.419   8.749   1.647
  649   1HB   MET  80          2HB       MET  80   3.069   6.628   2.645
  650   2HB   MET  80          3HB       MET  80   2.499   7.162   4.230
  651   1HG   MET  80          2HG       MET  80   0.332   6.977   3.697
  652   2HG   MET  80          3HG       MET  80   0.533   7.438   2.016
  653   1HE   MET  80          1HE       MET  80  -1.565   5.574   1.958
  654   2HE   MET  80          2HE       MET  80  -1.297   3.839   2.265
  655   3HE   MET  80          3HE       MET  80  -1.229   4.987   3.606
  656    H    ALA  81           H        ALA  81   2.136  11.000   1.868
  657    HA   ALA  81           HA       ALA  81   1.085  12.311   4.065
  658   1HB   ALA  81          1HB       ALA  81   0.834  13.053   1.122
  659   2HB   ALA  81          2HB       ALA  81   0.751  14.177   2.491
  660   3HB   ALA  81          3HB       ALA  81   2.268  13.330   2.135
  661    H    PHE  82           H        PHE  82  -0.544  10.071   2.736
  662    HA   PHE  82           HA       PHE  82  -3.293  10.987   2.500
  663   1HB   PHE  82          2HB       PHE  82  -2.430   9.024   1.326
  664   2HB   PHE  82          3HB       PHE  82  -2.062   8.223   2.839
  665    HD1  PHE  82           HD1      PHE  82  -5.172  10.054   1.642
  666    HD2  PHE  82           HD2      PHE  82  -3.435   6.310   2.916
  667    HE1  PHE  82           HE1      PHE  82  -7.398   8.993   1.586
  668    HE2  PHE  82           HE2      PHE  82  -5.670   5.259   2.846
  669    HZ   PHE  82           HZ       PHE  82  -7.656   6.594   2.201
  670    H    GLY  83           H        GLY  83  -2.921   8.321   4.759
  671   1HA   GLY  83          1HA       GLY  83  -3.029   9.094   7.298
  672   2HA   GLY  83          2HA       GLY  83  -4.446   9.982   6.759
  673    H    GLY  84           H        GLY  84  -4.605   7.225   4.979
  674   1HA   GLY  84          1HA       GLY  84  -5.231   5.016   5.329
  675   2HA   GLY  84          2HA       GLY  84  -5.380   5.305   7.059
  676    H    LEU  85           H        LEU  85  -7.183   3.875   5.504
  677    HA   LEU  85           HA       LEU  85  -9.527   5.571   4.858
  678   1HB   LEU  85          2HB       LEU  85  -8.766   2.663   4.493
  679   2HB   LEU  85          3HB       LEU  85 -10.445   3.155   4.282
  680    HG   LEU  85           HG       LEU  85  -8.135   4.401   2.733
  681   1HD1  LEU  85          1HD1      LEU  85 -10.048   2.195   1.863
  682   2HD1  LEU  85          2HD1      LEU  85  -8.846   3.012   0.840
  683   3HD1  LEU  85          3HD1      LEU  85  -8.308   2.007   2.190
  684   1HD2  LEU  85          1HD2      LEU  85 -10.179   5.810   2.826
  685   2HD2  LEU  85          2HD2      LEU  85  -9.975   5.129   1.227
  686   3HD2  LEU  85          3HD2      LEU  85 -11.172   4.416   2.316
  687    H    LYS  86           H        LYS  86 -11.406   5.547   5.894
  688    HA   LYS  86           HA       LYS  86 -11.587   4.245   8.593
  689   1HB   LYS  86          2HB       LYS  86 -12.792   6.873   7.699
  690   2HB   LYS  86          3HB       LYS  86 -12.802   6.201   9.327
  691   1HG   LYS  86          2HG       LYS  86 -10.319   7.125   7.800
  692   2HG   LYS  86          3HG       LYS  86 -11.155   8.015   9.062
  693   1HD   LYS  86          2HD       LYS  86 -10.607   6.287  10.719
  694   2HD   LYS  86          3HD       LYS  86  -9.767   5.324   9.501
  695   1HE   LYS  86          2HE       LYS  86  -8.990   8.198  10.160
  696   2HE   LYS  86          3HE       LYS  86  -8.338   6.804  11.032
  697   1HZ   LYS  86          1HZ       LYS  86  -8.054   7.143   8.084
  698   2HZ   LYS  86          2HZ       LYS  86  -6.880   7.488   9.153
  699   3HZ   LYS  86          3HZ       LYS  86  -7.383   5.968   9.023
  700    H    LYS  87           H        LYS  87 -12.532   3.188   5.965
  701    HA   LYS  87           HA       LYS  87 -14.981   2.054   7.132
  702   1HB   LYS  87          2HB       LYS  87 -14.774   3.042   4.246
  703   2HB   LYS  87          3HB       LYS  87 -15.817   1.714   4.722
  704   1HG   LYS  87          2HG       LYS  87 -17.355   3.326   4.923
  705   2HG   LYS  87          3HG       LYS  87 -16.702   3.419   6.558
  706   1HD   LYS  87          2HD       LYS  87 -15.248   5.348   5.780
  707   2HD   LYS  87          3HD       LYS  87 -16.047   5.235   4.194
  708   1HE   LYS  87          2HE       LYS  87 -18.270   5.530   5.370
  709   2HE   LYS  87          3HE       LYS  87 -17.394   5.767   6.886
  710   1HZ   LYS  87          1HZ       LYS  87 -17.146   7.482   4.478
  711   2HZ   LYS  87          2HZ       LYS  87 -17.964   7.874   5.848
  712   3HZ   LYS  87          3HZ       LYS  87 -16.332   7.710   5.886
  713    H    GLU  88           H        GLU  88 -14.250   0.056   7.647
  714    HA   GLU  88           HA       GLU  88 -11.961  -1.046   6.320
  715   1HB   GLU  88          2HB       GLU  88 -13.704  -1.742   8.631
  716   2HB   GLU  88          3HB       GLU  88 -12.798  -3.094   7.900
  717   1HG   GLU  88          2HG       GLU  88 -10.723  -2.069   8.149
  718   2HG   GLU  88          3HG       GLU  88 -11.418  -0.451   8.303
  719    H    LYS  89           H        LYS  89 -15.396  -1.886   5.816
  720    HA   LYS  89           HA       LYS  89 -14.858  -4.141   4.187
  721   1HB   LYS  89          2HB       LYS  89 -17.192  -2.235   3.923
  722   2HB   LYS  89          3HB       LYS  89 -17.095  -3.941   3.466
  723   1HG   LYS  89          2HG       LYS  89 -16.340  -4.102   6.079
  724   2HG   LYS  89          3HG       LYS  89 -17.397  -2.699   6.181
  725   1HD   LYS  89          2HD       LYS  89 -19.273  -4.047   5.286
  726   2HD   LYS  89          3HD       LYS  89 -18.182  -5.445   5.105
  727   1HE   LYS  89          2HE       LYS  89 -17.682  -5.334   7.566
  728   2HE   LYS  89          3HE       LYS  89 -18.835  -4.008   7.727
  729   1HZ   LYS  89          1HZ       LYS  89 -19.493  -6.768   6.861
  730   2HZ   LYS  89          2HZ       LYS  89 -19.866  -6.105   8.318
  731   3HZ   LYS  89          3HZ       LYS  89 -20.578  -5.532   6.958
  732    H    ASP  90           H        ASP  90 -14.687  -0.833   3.508
  733    HA   ASP  90           HA       ASP  90 -14.156  -1.043   0.622
  734   1HB   ASP  90          2HB       ASP  90 -14.877   1.056   2.207
  735   2HB   ASP  90          3HB       ASP  90 -13.141   1.336   2.149
  736    H    ARG  91           H        ARG  91 -12.072  -0.882   3.557
  737    HA   ARG  91           HA       ARG  91  -9.575  -1.178   2.070
  738   1HB   ARG  91          2HB       ARG  91 -10.084  -2.154   4.924
  739   2HB   ARG  91          3HB       ARG  91  -8.541  -1.967   4.109
  740   1HG   ARG  91          2HG       ARG  91  -9.209   0.554   3.925
  741   2HG   ARG  91          3HG       ARG  91 -10.364   0.176   5.205
  742   1HD   ARG  91          2HD       ARG  91  -8.017  -0.999   6.140
  743   2HD   ARG  91          3HD       ARG  91  -7.388   0.387   5.272
  744    HE   ARG  91           HE       ARG  91  -8.720   1.859   6.812
  745   1HH1  ARG  91          1HH2      ARG  91  -7.735  -1.228   8.189
  746   2HH1  ARG  91          2HH2      ARG  91  -8.815  -0.951   9.547
  747   1HH2  ARG  91          1HH1      ARG  91  -9.719   2.152   8.794
  748   2HH2  ARG  91          2HH1      ARG  91  -9.770   0.704   9.862
  749    H    ASN  92           H        ASN  92 -11.949  -3.509   3.248
  750    HA   ASN  92           HA       ASN  92 -10.361  -5.852   2.837
  751   1HB   ASN  92          2HB       ASN  92 -13.397  -5.594   2.762
  752   2HB   ASN  92          3HB       ASN  92 -12.506  -7.087   2.843
  753   1HD2  ASN  92          2HD2      ASN  92 -10.543  -6.544   4.903
  754   2HD2  ASN  92          1HD2      ASN  92 -11.510  -6.075   6.315
  755    H    ASP  93           H        ASP  93 -12.760  -4.351   0.597
  756    HA   ASP  93           HA       ASP  93 -12.223  -6.053  -1.650
  757   1HB   ASP  93          2HB       ASP  93 -13.075  -3.145  -1.405
  758   2HB   ASP  93          3HB       ASP  93 -12.876  -3.955  -2.954
  759    H    LEU  94           H        LEU  94 -10.660  -2.989  -0.666
  760    HA   LEU  94           HA       LEU  94  -8.871  -2.776  -2.852
  761   1HB   LEU  94          2HB       LEU  94  -9.521  -1.021  -1.102
  762   2HB   LEU  94          3HB       LEU  94  -8.386  -1.814  -0.014
  763    HG   LEU  94           HG       LEU  94  -6.574  -1.397  -1.819
  764   1HD1  LEU  94          1HD1      LEU  94  -8.725   0.533  -2.816
  765   2HD1  LEU  94          2HD1      LEU  94  -7.034   0.484  -3.351
  766   3HD1  LEU  94          3HD1      LEU  94  -8.111  -0.873  -3.718
  767   1HD2  LEU  94          1HD2      LEU  94  -6.707  -0.099   0.242
  768   2HD2  LEU  94          2HD2      LEU  94  -6.331   0.964  -1.117
  769   3HD2  LEU  94          3HD2      LEU  94  -7.981   0.938  -0.448
  770    H    ILE  95           H        ILE  95  -8.372  -4.353   0.297
  771    HA   ILE  95           HA       ILE  95  -5.698  -5.330  -0.150
  772    HB   ILE  95           HB       ILE  95  -7.939  -6.216   1.697
  773   1HG1  ILE  95          2HG1      ILE  95  -5.246  -4.964   2.409
  774   2HG1  ILE  95          3HG1      ILE  95  -6.631  -3.966   1.996
  775   1HG2  ILE  95          1HG2      ILE  95  -5.072  -7.282   1.587
  776   2HG2  ILE  95          2HG2      ILE  95  -6.219  -7.606   2.893
  777   3HG2  ILE  95          3HG2      ILE  95  -6.549  -8.222   1.286
  778   1HD1  ILE  95          1HD1      ILE  95  -6.481  -5.901   4.338
  779   2HD1  ILE  95          2HD1      ILE  95  -6.499  -4.131   4.387
  780   3HD1  ILE  95          3HD1      ILE  95  -7.943  -5.010   3.850
  781    H    THR  96           H        THR  96  -8.913  -7.035  -0.573
  782    HA   THR  96           HA       THR  96  -7.770  -9.343  -1.736
  783    HB   THR  96           HB       THR  96 -10.483  -8.071  -2.250
  784    HG1  THR  96           1HG      THR  96  -9.376 -10.036  -0.552
  785   1HG2  THR  96          1HG2      THR  96  -9.513 -10.893  -2.926
  786   2HG2  THR  96          2HG2      THR  96 -11.207 -10.344  -2.932
  787   3HG2  THR  96          3HG2      THR  96 -10.059  -9.663  -4.088
  788    H    TYR  97           H        TYR  97  -8.593  -6.278  -3.376
  789    HA   TYR  97           HA       TYR  97  -7.824  -7.141  -6.025
  790   1HB   TYR  97          2HB       TYR  97  -9.070  -5.167  -5.850
  791   2HB   TYR  97          3HB       TYR  97  -7.971  -4.438  -4.687
  792    HD1  TYR  97           HD1      TYR  97  -7.946  -5.791  -8.209
  793    HD2  TYR  97           HD2      TYR  97  -6.408  -2.859  -5.446
  794    HE1  TYR  97           HE1      TYR  97  -6.730  -4.686 -10.069
  795    HE2  TYR  97           HE2      TYR  97  -5.163  -1.775  -7.322
  796    HH   TYR  97           HH       TYR  97  -5.065  -3.109 -10.565
  797    H    LEU  98           H        LEU  98  -5.877  -5.249  -3.625
  798    HA   LEU  98           HA       LEU  98  -3.626  -5.213  -5.353
  799   1HB   LEU  98          2HB       LEU  98  -4.410  -4.124  -2.802
  800   2HB   LEU  98          3HB       LEU  98  -2.857  -4.849  -2.561
  801    HG   LEU  98           HG       LEU  98  -3.420  -2.953  -4.888
  802   1HD1  LEU  98          1HD1      LEU  98  -2.377  -2.255  -2.111
  803   2HD1  LEU  98          2HD1      LEU  98  -2.453  -1.154  -3.509
  804   3HD1  LEU  98          3HD1      LEU  98  -3.947  -1.779  -2.797
  805   1HD2  LEU  98          1HD2      LEU  98  -1.329  -4.350  -5.000
  806   2HD2  LEU  98          2HD2      LEU  98  -1.005  -2.620  -4.875
  807   3HD2  LEU  98          3HD2      LEU  98  -0.820  -3.664  -3.446
  808    H    LYS  99           H        LYS  99  -4.490  -7.446  -2.824
  809    HA   LYS  99           HA       LYS  99  -2.195  -9.178  -2.953
  810   1HB   LYS  99          2HB       LYS  99  -4.035  -9.262  -1.265
  811   2HB   LYS  99          3HB       LYS  99  -5.107  -9.961  -2.488
  812   1HG   LYS  99          2HG       LYS  99  -3.723 -11.920  -2.661
  813   2HG   LYS  99          3HG       LYS  99  -2.429 -11.185  -1.699
  814   1HD   LYS  99          2HD       LYS  99  -3.956 -11.122   0.275
  815   2HD   LYS  99          3HD       LYS  99  -5.193 -11.982  -0.648
  816   1HE   LYS  99          2HE       LYS  99  -2.365 -13.044  -0.249
  817   2HE   LYS  99          3HE       LYS  99  -3.631 -13.330   0.939
  818   1HZ   LYS  99          1HZ       LYS  99  -4.212 -14.065  -1.849
  819   2HZ   LYS  99          2HZ       LYS  99  -3.140 -14.930  -1.162
  820   3HZ   LYS  99          3HZ       LYS  99  -4.642 -14.849  -0.439
  821    H    LYS 100           H        LYS 100  -5.201  -9.233  -4.909
  822    HA   LYS 100           HA       LYS 100  -4.351 -11.331  -6.694
  823   1HB   LYS 100          2HB       LYS 100  -6.682 -10.579  -6.107
  824   2HB   LYS 100          3HB       LYS 100  -6.484  -9.231  -7.200
  825   1HG   LYS 100          2HG       LYS 100  -7.777 -11.051  -8.193
  826   2HG   LYS 100          3HG       LYS 100  -6.337 -10.719  -9.130
  827   1HD   LYS 100          2HD       LYS 100  -6.059 -12.871  -7.065
  828   2HD   LYS 100          3HD       LYS 100  -7.210 -13.220  -8.359
  829   1HE   LYS 100          2HE       LYS 100  -5.527 -12.966 -10.082
  830   2HE   LYS 100          3HE       LYS 100  -4.388 -12.265  -8.924
  831   1HZ   LYS 100          1HZ       LYS 100  -5.229 -15.109  -8.818
  832   2HZ   LYS 100          2HZ       LYS 100  -3.705 -14.459  -9.151
  833   3HZ   LYS 100          3HZ       LYS 100  -4.262 -14.249  -7.752
  834    H    ALA 101           H        ALA 101  -3.617  -8.111  -6.675
  835    HA   ALA 101           HA       ALA 101  -2.647  -7.853  -9.470
  836   1HB   ALA 101          1HB       ALA 101  -2.127  -6.010  -7.090
  837   2HB   ALA 101          2HB       ALA 101  -1.780  -5.673  -8.780
  838   3HB   ALA 101          3HB       ALA 101  -3.466  -5.840  -8.247
  839    H    THR 102           H        THR 102  -1.493  -9.412  -6.760
  840    HA   THR 102           HA       THR 102   1.391  -9.250  -7.510
  841    HB   THR 102           HB       THR 102   0.244  -9.598  -4.712
  842    HG1  THR 102           1HG      THR 102  -0.205  -7.561  -5.292
  843   1HG2  THR 102          1HG2      THR 102   3.026  -9.136  -5.825
  844   2HG2  THR 102          2HG2      THR 102   2.613  -8.875  -4.113
  845   3HG2  THR 102          3HG2      THR 102   2.475 -10.492  -4.827
  846    H    GLU 103           H        GLU 103  -1.293 -11.286  -6.296
  847    HA   GLU 103           HA       GLU 103   0.073 -13.766  -7.204
  848   1HB   GLU 103          2HB       GLU 103  -0.829 -15.002  -5.287
  849   2HB   GLU 103          3HB       GLU 103   0.342 -13.788  -4.798
  850   1HG   GLU 103          2HG       GLU 103  -1.098 -12.878  -3.366
  851   2HG   GLU 103          3HG       GLU 103  -2.249 -12.543  -4.618
  852    HHA  HEC 104           HHA      HEC 104   5.313   2.969   0.863
  853    HHB  HEC 104           HHB      HEC 104  -0.505   0.322   0.141
  854    HHC  HEC 104           HHC      HEC 104  -3.028   6.161  -1.130
  855    HHD  HEC 104           HHD      HEC 104   2.852   8.704  -0.877
  856   1HMA  HEC 104          1HMA      HEC 104   1.780  -1.278   1.764
  857   2HMA  HEC 104          2HMA      HEC 104   1.007  -1.271   0.153
  858   3HMA  HEC 104          3HMA      HEC 104   2.736  -1.570   0.295
  859   1HAA  HEC 104          1HAA      HEC 104   4.414  -0.641   1.639
  860   2HAA  HEC 104          2HAA      HEC 104   5.250   0.880   1.914
  861   1HBA  HEC 104          1HBA      HEC 104   5.993   0.924  -0.415
  862   2HBA  HEC 104          2HBA      HEC 104   5.054  -0.511  -0.783
  863   1HMB  HEC 104          1HMB      HEC 104  -3.844   0.713   0.177
  864   2HMB  HEC 104          2HMB      HEC 104  -3.725   0.809  -1.588
  865   3HMB  HEC 104          3HMB      HEC 104  -2.466   0.009  -0.673
  866    HAB  HEC 104           HAB      HEC 104  -4.527   4.825  -1.169
  867   1HBB  HEC 104          1HBB      HEC 104  -4.998   3.996   1.034
  868   2HBB  HEC 104          2HBB      HEC 104  -6.376   3.774  -0.064
  869   3HBB  HEC 104          3HBB      HEC 104  -5.360   2.391   0.392
  870   1HMC  HEC 104          1HMC      HEC 104  -3.187   8.581  -0.986
  871   2HMC  HEC 104          2HMC      HEC 104  -2.301   9.771  -1.944
  872   3HMC  HEC 104          3HMC      HEC 104  -2.754   8.222  -2.670
  873    HAC  HEC 104           HAC      HEC 104   1.629   9.921  -1.987
  874   1HBC  HEC 104          1HBC      HEC 104   0.582  10.974  -0.075
  875   2HBC  HEC 104          2HBC      HEC 104   0.601  12.028  -1.502
  876   3HBC  HEC 104          3HBC      HEC 104  -0.906  11.233  -1.006
  877   1HMD  HEC 104          1HMD      HEC 104   5.584   8.828   0.009
  878   2HMD  HEC 104          2HMD      HEC 104   6.452   7.757  -1.139
  879   3HMD  HEC 104          3HMD      HEC 104   4.896   8.450  -1.557
  880   1HAD  HEC 104          1HAD      HEC 104   7.125   4.939  -0.243
  881   2HAD  HEC 104          2HAD      HEC 104   6.754   4.600   1.438
  882   1HBD  HEC 104          1HBD      HEC 104   7.607   7.386   0.586
  883   2HBD  HEC 104          2HBD      HEC 104   8.742   6.112   0.846
  Start of MODEL   19
    1   1H    THR  -5          H1        THR  -5 -12.716  -6.809  13.098
    2   2H    THR  -5          H2        THR  -5 -12.752  -6.597  11.439
    3   3H    THR  -5          H3        THR  -5 -13.396  -5.457  12.380
    4    HA   THR  -5           HA       THR  -5 -11.388  -4.583  11.728
    5    HB   THR  -5           HB       THR  -5 -10.065  -4.577  13.899
    6    HG1  THR  -5           1HG      THR  -5 -10.363  -6.506  14.724
    7   1HG2  THR  -5          1HG2      THR  -5 -13.076  -4.267  14.280
    8   2HG2  THR  -5          2HG2      THR  -5 -11.788  -3.569  15.273
    9   3HG2  THR  -5          3HG2      THR  -5 -11.986  -3.034  13.595
   10    H    GLU  -4           H        GLU  -4 -11.221  -6.763  10.142
   11    HA   GLU  -4           HA       GLU  -4  -8.424  -7.424  10.206
   12   1HB   GLU  -4          2HB       GLU  -4  -9.242  -9.086  11.893
   13   2HB   GLU  -4          3HB       GLU  -4 -10.367  -9.728  10.706
   14   1HG   GLU  -4          2HG       GLU  -4  -8.262 -10.153   9.221
   15   2HG   GLU  -4          3HG       GLU  -4  -7.321  -9.791  10.664
   16    H    PHE  -3           H        PHE  -3 -11.118  -9.402   9.007
   17    HA   PHE  -3           HA       PHE  -3 -11.102  -8.272   6.310
   18   1HB   PHE  -3          2HB       PHE  -3  -9.191  -9.999   6.581
   19   2HB   PHE  -3          3HB       PHE  -3 -10.439 -11.210   6.810
   20    HD1  PHE  -3           HD1      PHE  -3 -11.378 -12.267   4.869
   21    HD2  PHE  -3           HD2      PHE  -3  -9.179  -8.587   4.469
   22    HE1  PHE  -3           HE1      PHE  -3 -11.464 -12.485   2.391
   23    HE2  PHE  -3           HE2      PHE  -3  -9.313  -8.782   1.979
   24    HZ   PHE  -3           HZ       PHE  -3 -10.435 -10.706   0.954
   25    H    LYS  -2           H        LYS  -2 -12.852  -9.225   5.000
   26    HA   LYS  -2           HA       LYS  -2 -14.805 -11.013   6.239
   27   1HB   LYS  -2          2HB       LYS  -2 -15.130  -8.413   6.973
   28   2HB   LYS  -2          3HB       LYS  -2 -16.049  -8.384   5.463
   29   1HG   LYS  -2          2HG       LYS  -2 -17.393 -10.335   6.289
   30   2HG   LYS  -2          3HG       LYS  -2 -16.398 -10.384   7.755
   31   1HD   LYS  -2          2HD       LYS  -2 -17.179  -8.099   8.350
   32   2HD   LYS  -2          3HD       LYS  -2 -18.229  -8.105   6.905
   33   1HE   LYS  -2          2HE       LYS  -2 -19.333 -10.179   7.743
   34   2HE   LYS  -2          3HE       LYS  -2 -18.291 -10.157   9.172
   35   1HZ   LYS  -2          1HZ       LYS  -2 -20.278  -8.069   8.471
   36   2HZ   LYS  -2          2HZ       LYS  -2 -20.447  -9.196   9.650
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.297  -8.033   9.793
   38    H    ALA  -1           H        ALA  -1 -13.217 -10.546   3.726
   39    HA   ALA  -1           HA       ALA  -1 -13.190 -10.833   1.547
   40   1HB   ALA  -1          1HB       ALA  -1 -15.982 -12.001   1.707
   41   2HB   ALA  -1          2HB       ALA  -1 -14.827 -12.179   0.373
   42   3HB   ALA  -1          3HB       ALA  -1 -14.470 -12.904   1.952
   43    H    GLY   1           H        GLY   1 -14.030 -10.177  -0.535
   44   1HA   GLY   1          1HA       GLY   1 -15.845  -8.005  -0.902
   45   2HA   GLY   1          2HA       GLY   1 -14.138  -7.487  -0.885
   46    H    SER   2           H        SER   2 -14.284  -7.096  -3.179
   47    HA   SER   2           HA       SER   2 -13.714  -9.613  -4.700
   48   1HB   SER   2          2HB       SER   2 -16.122  -9.024  -5.159
   49   2HB   SER   2          3HB       SER   2 -15.516  -7.569  -5.984
   50    HG   SER   2           HG       SER   2 -15.292 -10.270  -6.672
   51    H    ALA   3           H        ALA   3 -12.164  -9.545  -6.222
   52    HA   ALA   3           HA       ALA   3 -10.218  -7.559  -5.970
   53   1HB   ALA   3          1HB       ALA   3 -10.594  -9.574  -8.230
   54   2HB   ALA   3          2HB       ALA   3  -9.097  -8.690  -7.859
   55   3HB   ALA   3          3HB       ALA   3  -9.744  -9.848  -6.689
   56    H    LYS   4           H        LYS   4 -12.803  -7.706  -8.414
   57    HA   LYS   4           HA       LYS   4 -11.791  -5.322  -9.804
   58   1HB   LYS   4          2HB       LYS   4 -14.320  -6.976 -10.052
   59   2HB   LYS   4          3HB       LYS   4 -14.269  -5.349 -10.741
   60   1HG   LYS   4          2HG       LYS   4 -12.198  -5.949 -12.001
   61   2HG   LYS   4          3HG       LYS   4 -12.371  -7.625 -11.445
   62   1HD   LYS   4          2HD       LYS   4 -14.531  -7.820 -12.594
   63   2HD   LYS   4          3HD       LYS   4 -14.509  -6.088 -12.998
   64   1HE   LYS   4          2HE       LYS   4 -12.424  -6.434 -14.322
   65   2HE   LYS   4          3HE       LYS   4 -12.509  -8.170 -13.993
   66   1HZ   LYS   4          1HZ       LYS   4 -14.583  -6.604 -15.431
   67   2HZ   LYS   4          2HZ       LYS   4 -13.481  -7.588 -16.148
   68   3HZ   LYS   4          3HZ       LYS   4 -14.634  -8.226 -15.171
   69    H    LYS   5           H        LYS   5 -13.501  -5.677  -7.022
   70    HA   LYS   5           HA       LYS   5 -14.775  -2.960  -7.012
   71   1HB   LYS   5          2HB       LYS   5 -14.862  -5.335  -5.135
   72   2HB   LYS   5          3HB       LYS   5 -15.157  -3.718  -4.503
   73   1HG   LYS   5          2HG       LYS   5 -17.048  -3.370  -5.865
   74   2HG   LYS   5          3HG       LYS   5 -16.644  -4.689  -6.960
   75   1HD   LYS   5          2HD       LYS   5 -18.606  -5.039  -5.332
   76   2HD   LYS   5          3HD       LYS   5 -17.448  -6.337  -5.551
   77   1HE   LYS   5          2HE       LYS   5 -18.087  -6.084  -3.176
   78   2HE   LYS   5          3HE       LYS   5 -16.361  -5.886  -3.462
   79   1HZ   LYS   5          1HZ       LYS   5 -18.273  -3.705  -2.864
   80   2HZ   LYS   5          2HZ       LYS   5 -16.893  -4.171  -2.046
   81   3HZ   LYS   5          3HZ       LYS   5 -16.738  -3.461  -3.436
   82    H    GLY   6           H        GLY   6 -12.261  -4.688  -5.094
   83   1HA   GLY   6          1HA       GLY   6 -11.194  -2.343  -3.867
   84   2HA   GLY   6          2HA       GLY   6 -10.273  -3.806  -4.211
   85    H    ALA   7           H        ALA   7 -10.452  -3.752  -7.066
   86    HA   ALA   7           HA       ALA   7  -8.398  -2.074  -7.906
   87   1HB   ALA   7          1HB       ALA   7 -10.659  -3.238  -9.591
   88   2HB   ALA   7          2HB       ALA   7  -9.106  -2.638 -10.195
   89   3HB   ALA   7          3HB       ALA   7  -9.148  -4.066  -9.160
   90    H    THR   8           H        THR   8 -11.953  -1.449  -8.518
   91    HA   THR   8           HA       THR   8 -11.411   1.080  -9.813
   92    HB   THR   8           HB       THR   8 -13.852   1.537  -9.440
   93    HG1  THR   8           1HG      THR   8 -14.959  -0.499  -8.834
   94   1HG2  THR   8          1HG2      THR   8 -13.226  -1.200 -10.628
   95   2HG2  THR   8          2HG2      THR   8 -14.651  -0.192 -10.967
   96   3HG2  THR   8          3HG2      THR   8 -13.044   0.357 -11.468
   97    H    LEU   9           H        LEU   9 -12.061   0.216  -6.431
   98    HA   LEU   9           HA       LEU   9 -12.309   2.875  -5.503
   99   1HB   LEU   9          2HB       LEU   9 -13.023   0.628  -4.424
  100   2HB   LEU   9          3HB       LEU   9 -11.367   0.492  -3.843
  101    HG   LEU   9           HG       LEU   9 -12.456   3.174  -3.392
  102   1HD1  LEU   9          1HD1      LEU   9 -13.990   0.913  -2.086
  103   2HD1  LEU   9          2HD1      LEU   9 -14.155   2.644  -1.706
  104   3HD1  LEU   9          3HD1      LEU   9 -14.618   2.040  -3.309
  105   1HD2  LEU   9          1HD2      LEU   9 -10.513   2.310  -2.184
  106   2HD2  LEU   9          2HD2      LEU   9 -11.800   2.802  -1.061
  107   3HD2  LEU   9          3HD2      LEU   9 -11.541   1.081  -1.405
  108    H    PHE  10           H        PHE  10  -9.487   0.634  -5.452
  109    HA   PHE  10           HA       PHE  10  -7.467   2.424  -4.633
  110   1HB   PHE  10          2HB       PHE  10  -7.015   0.077  -4.887
  111   2HB   PHE  10          3HB       PHE  10  -7.475   0.094  -6.581
  112    HD1  PHE  10           HD1      PHE  10  -6.005   0.976  -8.321
  113    HD2  PHE  10           HD2      PHE  10  -4.786   0.886  -4.188
  114    HE1  PHE  10           HE1      PHE  10  -3.696   1.610  -8.976
  115    HE2  PHE  10           HE2      PHE  10  -2.479   1.557  -4.874
  116    HZ   PHE  10           HZ       PHE  10  -1.962   1.988  -7.244
  117    H    LYS  11           H        LYS  11  -8.842   1.976  -7.886
  118    HA   LYS  11           HA       LYS  11  -7.068   3.690  -9.297
  119   1HB   LYS  11          2HB       LYS  11  -8.889   1.953 -10.113
  120   2HB   LYS  11          3HB       LYS  11  -9.940   3.370 -10.197
  121   1HG   LYS  11          2HG       LYS  11  -8.178   4.437 -11.688
  122   2HG   LYS  11          3HG       LYS  11  -7.259   2.922 -11.559
  123   1HD   LYS  11          2HD       LYS  11  -9.285   1.734 -12.537
  124   2HD   LYS  11          3HD       LYS  11  -9.948   3.333 -12.905
  125   1HE   LYS  11          2HE       LYS  11  -7.311   2.127 -13.885
  126   2HE   LYS  11          3HE       LYS  11  -8.762   2.377 -14.855
  127   1HZ   LYS  11          1HZ       LYS  11  -7.142   4.537 -13.621
  128   2HZ   LYS  11          2HZ       LYS  11  -7.101   4.127 -15.205
  129   3HZ   LYS  11          3HZ       LYS  11  -8.472   4.774 -14.554
  130    H    THR  12           H        THR  12  -9.598   4.656  -7.207
  131    HA   THR  12           HA       THR  12  -9.288   7.516  -8.051
  132    HB   THR  12           HB       THR  12 -11.440   6.388  -8.687
  133    HG1  THR  12           1HG      THR  12 -12.614   8.246  -8.007
  134   1HG2  THR  12          1HG2      THR  12 -12.141   6.706  -5.745
  135   2HG2  THR  12          2HG2      THR  12 -13.216   6.209  -7.065
  136   3HG2  THR  12          3HG2      THR  12 -11.887   5.150  -6.572
  137    H    ARG  13           H        ARG  13  -8.058   5.717  -5.887
  138    HA   ARG  13           HA       ARG  13  -8.224   7.752  -3.676
  139   1HB   ARG  13          2HB       ARG  13  -8.101   4.725  -3.373
  140   2HB   ARG  13          3HB       ARG  13  -7.976   5.867  -2.044
  141   1HG   ARG  13          2HG       ARG  13 -10.456   5.630  -3.812
  142   2HG   ARG  13          3HG       ARG  13 -10.175   4.708  -2.337
  143   1HD   ARG  13          2HD       ARG  13  -9.923   7.016  -1.194
  144   2HD   ARG  13          3HD       ARG  13 -10.646   7.670  -2.686
  145    HE   ARG  13           HE       ARG  13 -12.083   5.385  -1.562
  146   1HH1  ARG  13          1HH2      ARG  13 -12.018   8.851  -1.519
  147   2HH1  ARG  13          2HH2      ARG  13 -13.566   8.988  -0.749
  148   1HH2  ARG  13          1HH1      ARG  13 -14.013   5.563  -0.481
  149   2HH2  ARG  13          2HH1      ARG  13 -14.676   7.153  -0.206
  150    H    CYS  14           H        CYS  14  -6.238   5.077  -4.996
  151    HA   CYS  14           HA       CYS  14  -3.866   6.101  -3.495
  152   1HB   CYS  14          2HB       CYS  14  -4.430   3.469  -4.785
  153   2HB   CYS  14          3HB       CYS  14  -3.144   3.778  -3.624
  154    H    LEU  15           H        LEU  15  -5.003   5.055  -6.712
  155    HA   LEU  15           HA       LEU  15  -2.571   4.776  -7.999
  156   1HB   LEU  15          2HB       LEU  15  -4.760   4.026  -8.851
  157   2HB   LEU  15          3HB       LEU  15  -5.208   5.705  -9.164
  158    HG   LEU  15           HG       LEU  15  -3.339   5.867 -10.815
  159   1HD1  LEU  15          1HD1      LEU  15  -3.109   2.835 -10.651
  160   2HD1  LEU  15          2HD1      LEU  15  -2.196   3.947 -11.676
  161   3HD1  LEU  15          3HD1      LEU  15  -1.924   3.948  -9.938
  162   1HD2  LEU  15          1HD2      LEU  15  -5.670   5.296 -11.463
  163   2HD2  LEU  15          2HD2      LEU  15  -4.421   4.680 -12.574
  164   3HD2  LEU  15          3HD2      LEU  15  -5.193   3.570 -11.423
  165    H    GLN  16           H        GLN  16  -3.981   7.798  -7.041
  166    HA   GLN  16           HA       GLN  16  -2.562   9.583  -8.756
  167   1HB   GLN  16          2HB       GLN  16  -2.957  11.248  -7.026
  168   2HB   GLN  16          3HB       GLN  16  -4.404  10.311  -7.383
  169   1HG   GLN  16          2HG       GLN  16  -3.980   8.935  -5.311
  170   2HG   GLN  16          3HG       GLN  16  -2.610   9.988  -4.941
  171   1HE2  GLN  16          2HE2      GLN  16  -5.306   9.507  -3.497
  172   2HE2  GLN  16          1HE2      GLN  16  -5.800  11.197  -3.277
  173    H    CYS  17           H        CYS  17  -1.328   7.615  -6.097
  174    HA   CYS  17           HA       CYS  17   1.275   9.102  -6.211
  175   1HB   CYS  17          2HB       CYS  17  -0.028   7.627  -3.923
  176   2HB   CYS  17          3HB       CYS  17   1.629   8.207  -3.920
  177    H    HIS  18           H        HIS  18  -0.170   6.005  -6.732
  178    HA   HIS  18           HA       HIS  18   2.492   4.601  -6.751
  179   1HB   HIS  18          1HB       HIS  18  -0.278   3.759  -5.786
  180   2HB   HIS  18          2HB       HIS  18   0.996   2.600  -6.105
  181    HD1  HIS  18           HD1      HIS  18   3.366   3.082  -4.636
  182    HD2  HIS  18           HD2      HIS  18  -0.304   4.671  -3.319
  183    HE1  HIS  18           HE1      HIS  18   3.660   3.640  -2.173
  184    H    THR  19           H        THR  19   2.417   2.501  -7.981
  185    HA   THR  19           HA       THR  19   0.257   2.192  -9.974
  186    HB   THR  19           HB       THR  19   1.770   1.337 -11.669
  187    HG1  THR  19           1HG      THR  19   3.953   2.737 -10.822
  188   1HG2  THR  19          1HG2      THR  19   2.377   4.239 -10.976
  189   2HG2  THR  19          2HG2      THR  19   2.541   3.464 -12.567
  190   3HG2  THR  19          3HG2      THR  19   0.936   3.657 -11.838
  191    H    VAL  20           H        VAL  20   0.061  -0.140 -10.645
  192    HA   VAL  20           HA       VAL  20   1.154  -2.045  -8.606
  193    HB   VAL  20           HB       VAL  20  -1.715  -2.321  -9.486
  194   1HG1  VAL  20          1HG1      VAL  20  -0.223  -3.081  -6.921
  195   2HG1  VAL  20          2HG1      VAL  20  -1.929  -3.427  -7.277
  196   3HG1  VAL  20          3HG1      VAL  20  -0.655  -4.198  -8.217
  197   1HG2  VAL  20          1HG2      VAL  20  -1.715  -0.081  -8.587
  198   2HG2  VAL  20          2HG2      VAL  20  -2.443  -1.166  -7.402
  199   3HG2  VAL  20          3HG2      VAL  20  -0.775  -0.598  -7.168
  200    H    GLU  21           H        GLU  21   1.642  -1.385 -11.477
  201    HA   GLU  21           HA       GLU  21   0.872  -3.933 -12.824
  202   1HB   GLU  21          2HB       GLU  21   1.580  -1.338 -14.162
  203   2HB   GLU  21          3HB       GLU  21   0.787  -2.730 -14.874
  204   1HG   GLU  21          2HG       GLU  21  -1.237  -2.375 -13.545
  205   2HG   GLU  21          3HG       GLU  21  -0.496  -1.044 -12.660
  206    H    LYS  22           H        LYS  22   2.322  -4.713 -14.434
  207    HA   LYS  22           HA       LYS  22   4.777  -5.228 -13.004
  208   1HB   LYS  22          2HB       LYS  22   3.262  -6.933 -14.006
  209   2HB   LYS  22          3HB       LYS  22   3.848  -6.473 -15.615
  210   1HG   LYS  22          2HG       LYS  22   6.153  -7.089 -14.949
  211   2HG   LYS  22          3HG       LYS  22   5.606  -7.461 -13.306
  212   1HD   LYS  22          2HD       LYS  22   4.163  -9.252 -14.139
  213   2HD   LYS  22          3HD       LYS  22   4.577  -8.860 -15.814
  214   1HE   LYS  22          2HE       LYS  22   6.519  -9.797 -13.646
  215   2HE   LYS  22          3HE       LYS  22   5.843 -10.832 -14.910
  216   1HZ   LYS  22          1HZ       LYS  22   7.548  -8.453 -15.402
  217   2HZ   LYS  22          2HZ       LYS  22   8.070 -10.011 -15.495
  218   3HZ   LYS  22          3HZ       LYS  22   6.957  -9.442 -16.566
  219    H    GLY  23           H        GLY  23   5.713  -3.167 -13.243
  220   1HA   GLY  23          1HA       GLY  23   7.953  -2.394 -14.184
  221   2HA   GLY  23          2HA       GLY  23   7.270  -2.678 -15.784
  222    H    GLY  24           H        GLY  24   4.859  -1.448 -13.692
  223   1HA   GLY  24          1HA       GLY  24   4.588   1.033 -15.059
  224   2HA   GLY  24          2HA       GLY  24   3.817   0.602 -13.526
  225    HA   PRO  25           HA       PRO  25   7.685   3.448 -13.110
  226   1HB   PRO  25          2HB       PRO  25   6.740   6.023 -13.328
  227   2HB   PRO  25          3HB       PRO  25   7.270   5.045 -14.729
  228   1HG   PRO  25          2HG       PRO  25   4.439   5.413 -13.686
  229   2HG   PRO  25          3HG       PRO  25   5.030   5.612 -15.370
  230   1HD   PRO  25          2HD       PRO  25   3.872   3.298 -14.560
  231   2HD   PRO  25          3HD       PRO  25   5.296   3.267 -15.644
  232    H    HIS  26           H        HIS  26   8.267   4.670 -11.295
  233    HA   HIS  26           HA       HIS  26   6.546   4.674  -8.896
  234   1HB   HIS  26          2HB       HIS  26   9.294   5.846  -9.534
  235   2HB   HIS  26          3HB       HIS  26   8.470   6.070  -7.998
  236    HD1  HIS  26           HD1      HIS  26   8.865   2.659  -9.860
  237    HD2  HIS  26           HD2      HIS  26   9.835   4.719  -6.324
  238    HE1  HIS  26           HE1      HIS  26  10.083   0.990  -8.317
  239    H    LYS  27           H        LYS  27   6.127   6.767  -7.793
  240    HA   LYS  27           HA       LYS  27   6.043   9.178  -9.488
  241   1HB   LYS  27          2HB       LYS  27   3.860   7.563  -9.624
  242   2HB   LYS  27          3HB       LYS  27   3.385   8.455  -8.219
  243   1HG   LYS  27          2HG       LYS  27   2.449   9.588 -10.054
  244   2HG   LYS  27          3HG       LYS  27   3.835  10.599  -9.616
  245   1HD   LYS  27          2HD       LYS  27   5.172   9.618 -11.439
  246   2HD   LYS  27          3HD       LYS  27   3.911   8.444 -11.802
  247   1HE   LYS  27          2HE       LYS  27   3.623  11.473 -12.049
  248   2HE   LYS  27          3HE       LYS  27   4.039  10.392 -13.383
  249   1HZ   LYS  27          1HZ       LYS  27   1.519  10.260 -11.823
  250   2HZ   LYS  27          2HZ       LYS  27   1.661  10.860 -13.347
  251   3HZ   LYS  27          3HZ       LYS  27   1.910   9.262 -13.063
  252    H    VAL  28           H        VAL  28   3.909   9.541  -6.897
  253    HA   VAL  28           HA       VAL  28   5.765  11.024  -5.207
  254    HB   VAL  28           HB       VAL  28   3.061   9.835  -4.485
  255   1HG1  VAL  28          1HG1      VAL  28   4.702  12.075  -3.222
  256   2HG1  VAL  28          2HG1      VAL  28   3.031  11.670  -2.785
  257   3HG1  VAL  28          3HG1      VAL  28   4.316  10.500  -2.488
  258   1HG2  VAL  28          1HG2      VAL  28   2.761  11.364  -6.390
  259   2HG2  VAL  28          2HG2      VAL  28   2.142  12.100  -4.920
  260   3HG2  VAL  28          3HG2      VAL  28   3.721  12.611  -5.558
  261    H    GLY  29           H        GLY  29   4.397   7.733  -5.228
  262   1HA   GLY  29          1HA       GLY  29   6.530   6.753  -3.388
  263   2HA   GLY  29          2HA       GLY  29   4.855   6.179  -3.331
  264    HA   PRO  30           HA       PRO  30   7.479   3.671  -6.254
  265   1HB   PRO  30          2HB       PRO  30   7.577   1.239  -4.985
  266   2HB   PRO  30          3HB       PRO  30   8.617   2.617  -4.541
  267   1HG   PRO  30          2HG       PRO  30   6.022   1.766  -3.234
  268   2HG   PRO  30          3HG       PRO  30   7.599   2.162  -2.464
  269   1HD   PRO  30          2HD       PRO  30   5.560   3.987  -2.692
  270   2HD   PRO  30          3HD       PRO  30   7.262   4.462  -2.738
  271    H    ASN  31           H        ASN  31   7.060   1.369  -7.162
  272    HA   ASN  31           HA       ASN  31   4.251   1.010  -8.022
  273   1HB   ASN  31          2HB       ASN  31   6.163   0.589  -9.560
  274   2HB   ASN  31          3HB       ASN  31   6.777  -0.644  -8.445
  275   1HD2  ASN  31          2HD2      ASN  31   4.234   0.114 -10.796
  276   2HD2  ASN  31          1HD2      ASN  31   3.928  -1.622 -11.077
  277    H    LEU  32           H        LEU  32   3.186  -1.090  -7.516
  278    HA   LEU  32           HA       LEU  32   3.833  -2.141  -4.789
  279   1HB   LEU  32          2HB       LEU  32   1.178  -1.507  -6.098
  280   2HB   LEU  32          3HB       LEU  32   1.339  -2.301  -4.542
  281    HG   LEU  32           HG       LEU  32   2.242   0.544  -5.179
  282   1HD1  LEU  32          1HD1      LEU  32  -0.132  -0.553  -3.613
  283   2HD1  LEU  32          2HD1      LEU  32   0.329   1.159  -3.692
  284   3HD1  LEU  32          3HD1      LEU  32  -0.192   0.320  -5.160
  285   1HD2  LEU  32          1HD2      LEU  32   3.603  -0.406  -3.346
  286   2HD2  LEU  32          2HD2      LEU  32   2.478   0.805  -2.724
  287   3HD2  LEU  32          3HD2      LEU  32   2.121  -0.919  -2.507
  288    H    HIS  33           H        HIS  33   3.872  -3.225  -7.916
  289    HA   HIS  33           HA       HIS  33   2.546  -5.849  -7.663
  290   1HB   HIS  33          2HB       HIS  33   2.711  -4.424  -9.737
  291   2HB   HIS  33          3HB       HIS  33   4.433  -4.749  -9.782
  292    HD1  HIS  33           HD1      HIS  33   1.051  -6.626 -10.178
  293    HD2  HIS  33           HD2      HIS  33   5.208  -7.124 -10.637
  294    HE1  HIS  33           HE1      HIS  33   1.358  -8.683 -11.609
  295    H    GLY  34           H        GLY  34   3.531  -6.791  -5.916
  296   1HA   GLY  34          1HA       GLY  34   5.289  -8.586  -5.625
  297   2HA   GLY  34          2HA       GLY  34   6.488  -7.362  -6.014
  298    H    ILE  35           H        ILE  35   4.081  -5.982  -4.035
  299    HA   ILE  35           HA       ILE  35   5.859  -5.614  -1.840
  300    HB   ILE  35           HB       ILE  35   3.892  -4.699  -0.619
  301   1HG1  ILE  35          2HG1      ILE  35   2.291  -5.638  -3.041
  302   2HG1  ILE  35          3HG1      ILE  35   2.097  -6.084  -1.349
  303   1HG2  ILE  35          1HG2      ILE  35   4.463  -3.771  -3.450
  304   2HG2  ILE  35          2HG2      ILE  35   3.543  -2.803  -2.275
  305   3HG2  ILE  35          3HG2      ILE  35   5.188  -3.228  -1.928
  306   1HD1  ILE  35          1HD1      ILE  35   1.417  -3.430  -2.606
  307   2HD1  ILE  35          2HD1      ILE  35   0.350  -4.596  -1.815
  308   3HD1  ILE  35          3HD1      ILE  35   1.521  -3.677  -0.851
  309    H    PHE  36           H        PHE  36   3.235  -7.979  -2.183
  310    HA   PHE  36           HA       PHE  36   3.079  -8.735   0.547
  311   1HB   PHE  36          2HB       PHE  36   2.060  -9.973  -2.018
  312   2HB   PHE  36          3HB       PHE  36   1.903 -10.799  -0.483
  313    HD1  PHE  36           HD1      PHE  36   0.676  -7.866  -2.426
  314    HD2  PHE  36           HD2      PHE  36   0.523  -9.945   1.352
  315    HE1  PHE  36           HE1      PHE  36  -1.242  -6.493  -1.756
  316    HE2  PHE  36           HE2      PHE  36  -1.376  -8.541   2.027
  317    HZ   PHE  36           HZ       PHE  36  -2.235  -6.763   0.540
  318    H    GLY  37           H        GLY  37   4.407  -9.731   1.721
  319   1HA   GLY  37          1HA       GLY  37   5.899 -11.437   2.445
  320   2HA   GLY  37          2HA       GLY  37   6.102 -11.988   0.782
  321    H    ARG  38           H        ARG  38   6.545  -8.576   1.205
  322    HA   ARG  38           HA       ARG  38   9.513  -8.855   1.497
  323   1HB   ARG  38          2HB       ARG  38   8.012  -7.712  -0.714
  324   2HB   ARG  38          3HB       ARG  38   8.769  -6.409   0.165
  325   1HG   ARG  38          2HG       ARG  38  10.299  -7.009  -1.533
  326   2HG   ARG  38          3HG       ARG  38  10.983  -7.654  -0.033
  327   1HD   ARG  38          2HD       ARG  38   9.969  -9.864  -0.584
  328   2HD   ARG  38          3HD       ARG  38   9.359  -9.196  -2.109
  329    HE   ARG  38           HE       ARG  38  11.960  -8.620  -2.395
  330   1HH1  ARG  38          1HH2      ARG  38  10.504 -11.653  -1.493
  331   2HH1  ARG  38          2HH2      ARG  38  11.792 -12.618  -2.161
  332   1HH2  ARG  38          1HH1      ARG  38  13.570  -9.849  -3.270
  333   2HH2  ARG  38          2HH1      ARG  38  13.491 -11.588  -3.187
  334    H    HIS  39           H        HIS  39  10.315  -6.338   1.967
  335    HA   HIS  39           HA       HIS  39   9.012  -5.826   4.589
  336   1HB   HIS  39          2HB       HIS  39  11.963  -6.008   3.972
  337   2HB   HIS  39          3HB       HIS  39  11.291  -5.353   5.468
  338    HD1  HIS  39           HD1      HIS  39  11.505  -8.710   3.606
  339    HD2  HIS  39           HD2      HIS  39  10.205  -7.030   7.234
  340    HE1  HIS  39           HE1      HIS  39  10.756 -10.668   5.095
  341    H    SER  40           H        SER  40   8.624  -3.796   5.161
  342    HA   SER  40           HA       SER  40   8.160  -1.860   3.351
  343   1HB   SER  40          2HB       SER  40   7.650  -0.334   5.100
  344   2HB   SER  40          3HB       SER  40   7.195  -1.959   5.610
  345    HG   SER  40           HG       SER  40   9.569  -0.566   6.333
  346    H    GLY  41           H        GLY  41   9.256  -0.717   2.057
  347   1HA   GLY  41          1HA       GLY  41  10.920   0.996   1.455
  348   2HA   GLY  41          2HA       GLY  41  11.916   0.491   2.816
  349    H    GLN  42           H        GLN  42  10.459  -0.944  -0.110
  350    HA   GLN  42           HA       GLN  42  12.544  -2.984  -0.302
  351   1HB   GLN  42          2HB       GLN  42  10.262  -2.228  -2.166
  352   2HB   GLN  42          3HB       GLN  42  11.231  -3.695  -2.300
  353   1HG   GLN  42          2HG       GLN  42  10.329  -4.589  -0.257
  354   2HG   GLN  42          3HG       GLN  42   9.594  -3.043   0.191
  355   1HE2  GLN  42          2HE2      GLN  42   7.768  -2.249  -1.082
  356   2HE2  GLN  42          1HE2      GLN  42   6.925  -3.526  -2.010
  357    H    ALA  43           H        ALA  43  11.657  -0.191  -2.351
  358    HA   ALA  43           HA       ALA  43  13.177  -1.195  -4.554
  359   1HB   ALA  43          1HB       ALA  43  11.794   1.504  -4.255
  360   2HB   ALA  43          2HB       ALA  43  12.306   0.731  -5.756
  361   3HB   ALA  43          3HB       ALA  43  11.028  -0.010  -4.774
  362    H    GLU  44           H        GLU  44  15.337  -1.339  -3.993
  363    HA   GLU  44           HA       GLU  44  17.158   0.363  -2.982
  364   1HB   GLU  44          2HB       GLU  44  17.500  -1.384  -5.440
  365   2HB   GLU  44          3HB       GLU  44  18.825  -0.757  -4.454
  366   1HG   GLU  44          2HG       GLU  44  18.088  -2.031  -2.517
  367   2HG   GLU  44          3HG       GLU  44  16.622  -2.559  -3.352
  368    H    GLY  45           H        GLY  45  15.631   1.081  -5.987
  369   1HA   GLY  45          1HA       GLY  45  17.696   3.082  -6.806
  370   2HA   GLY  45          2HA       GLY  45  16.395   2.472  -7.816
  371    H    TYR  46           H        TYR  46  15.111   3.300  -4.749
  372    HA   TYR  46           HA       TYR  46  14.534   6.115  -5.540
  373   1HB   TYR  46          2HB       TYR  46  12.842   4.658  -6.586
  374   2HB   TYR  46          3HB       TYR  46  12.366   4.040  -5.020
  375    HD1  TYR  46           HD1      TYR  46  11.863   6.595  -7.482
  376    HD2  TYR  46           HD2      TYR  46  11.595   5.833  -3.253
  377    HE1  TYR  46           HE1      TYR  46  10.291   8.516  -7.246
  378    HE2  TYR  46           HE2      TYR  46  10.042   7.744  -2.998
  379    HH   TYR  46           HH       TYR  46   8.714   9.488  -5.772
  380    H    SER  47           H        SER  47  14.760   7.437  -3.898
  381    HA   SER  47           HA       SER  47  15.247   6.625  -1.220
  382   1HB   SER  47          2HB       SER  47  14.592   9.416  -2.231
  383   2HB   SER  47          3HB       SER  47  15.374   8.990  -0.697
  384    HG   SER  47           HG       SER  47  17.180   8.916  -1.749
  385    H    TYR  48           H        TYR  48  13.609   5.570  -0.260
  386    HA   TYR  48           HA       TYR  48  11.046   6.768   0.510
  387   1HB   TYR  48          2HB       TYR  48  12.712   4.559   1.789
  388   2HB   TYR  48          3HB       TYR  48  11.103   5.001   2.290
  389    HD1  TYR  48           HD1      TYR  48   9.211   3.933   1.371
  390    HD2  TYR  48           HD2      TYR  48  13.023   3.638  -0.638
  391    HE1  TYR  48           HE1      TYR  48   8.343   2.077  -0.042
  392    HE2  TYR  48           HE2      TYR  48  12.104   1.915  -2.117
  393    HH   TYR  48           HH       TYR  48   9.014   0.303  -1.455
  394    H    THR  49           H        THR  49  10.758   6.990   3.010
  395    HA   THR  49           HA       THR  49  12.680   8.820   4.277
  396    HB   THR  49           HB       THR  49  11.213   8.595   6.266
  397    HG1  THR  49           1HG      THR  49   9.534   7.013   4.580
  398   1HG2  THR  49          1HG2      THR  49   9.783   9.295   3.706
  399   2HG2  THR  49          2HG2      THR  49   9.246   9.747   5.342
  400   3HG2  THR  49          3HG2      THR  49  10.770  10.383   4.700
  401    H    ASP  50           H        ASP  50  14.034   8.340   5.945
  402    HA   ASP  50           HA       ASP  50  15.002   5.753   6.599
  403   1HB   ASP  50          2HB       ASP  50  16.244   7.718   7.170
  404   2HB   ASP  50          3HB       ASP  50  14.885   8.406   8.068
  405    H    ALA  51           H        ALA  51  12.322   7.619   8.035
  406    HA   ALA  51           HA       ALA  51  11.642   6.069  10.224
  407   1HB   ALA  51          1HB       ALA  51   9.766   7.523   8.304
  408   2HB   ALA  51          2HB       ALA  51   9.382   7.026   9.965
  409   3HB   ALA  51          3HB       ALA  51  10.632   8.251   9.679
  410    H    ASN  52           H        ASN  52  10.377   5.588   6.893
  411    HA   ASN  52           HA       ASN  52   8.892   3.167   7.459
  412   1HB   ASN  52          2HB       ASN  52   8.309   4.575   5.609
  413   2HB   ASN  52          3HB       ASN  52   9.938   4.508   4.930
  414   1HD2  ASN  52          2HD2      ASN  52  10.324   2.944   3.398
  415   2HD2  ASN  52          1HD2      ASN  52   9.223   1.576   3.135
  416    H    ILE  53           H        ILE  53  12.183   3.734   6.229
  417    HA   ILE  53           HA       ILE  53  12.773   0.991   5.658
  418    HB   ILE  53           HB       ILE  53  14.503   3.377   6.312
  419   1HG1  ILE  53          2HG1      ILE  53  14.124   2.002   3.608
  420   2HG1  ILE  53          3HG1      ILE  53  13.099   3.322   4.143
  421   1HG2  ILE  53          1HG2      ILE  53  15.438   0.652   5.284
  422   2HG2  ILE  53          2HG2      ILE  53  16.461   2.101   5.357
  423   3HG2  ILE  53          3HG2      ILE  53  15.864   1.393   6.845
  424   1HD1  ILE  53          1HD1      ILE  53  16.100   3.506   3.672
  425   2HD1  ILE  53          2HD1      ILE  53  14.811   4.221   2.703
  426   3HD1  ILE  53          3HD1      ILE  53  15.094   4.807   4.350
  427    H    LYS  54           H        LYS  54  13.747   2.896   8.537
  428    HA   LYS  54           HA       LYS  54  14.468   0.534  10.076
  429   1HB   LYS  54          2HB       LYS  54  13.806   3.396  10.887
  430   2HB   LYS  54          3HB       LYS  54  14.216   2.120  12.041
  431   1HG   LYS  54          2HG       LYS  54  16.317   1.748  10.461
  432   2HG   LYS  54          3HG       LYS  54  15.997   3.410   9.966
  433   1HD   LYS  54          2HD       LYS  54  16.372   2.450  12.850
  434   2HD   LYS  54          3HD       LYS  54  17.663   3.140  11.872
  435   1HE   LYS  54          2HE       LYS  54  15.072   4.652  12.352
  436   2HE   LYS  54          3HE       LYS  54  16.374   4.692  13.550
  437   1HZ   LYS  54          1HZ       LYS  54  16.861   5.372  10.704
  438   2HZ   LYS  54          2HZ       LYS  54  16.290   6.460  11.633
  439   3HZ   LYS  54          3HZ       LYS  54  17.786   5.796  11.994
  440    H    LYS  55           H        LYS  55  11.417   1.456   9.037
  441    HA   LYS  55           HA       LYS  55  10.075   0.300  11.433
  442   1HB   LYS  55          2HB       LYS  55   9.071   2.124   9.802
  443   2HB   LYS  55          3HB       LYS  55   8.508   0.745   8.882
  444   1HG   LYS  55          2HG       LYS  55   8.054   0.953  11.895
  445   2HG   LYS  55          3HG       LYS  55   7.080   1.908  10.820
  446   1HD   LYS  55          2HD       LYS  55   5.787   0.188  10.165
  447   2HD   LYS  55          3HD       LYS  55   7.142  -0.902   9.945
  448   1HE   LYS  55          2HE       LYS  55   5.875  -0.215  12.643
  449   2HE   LYS  55          3HE       LYS  55   5.507  -1.646  11.681
  450   1HZ   LYS  55          1HZ       LYS  55   8.082  -0.977  12.957
  451   2HZ   LYS  55          2HZ       LYS  55   7.194  -2.356  13.165
  452   3HZ   LYS  55          3HZ       LYS  55   8.016  -2.070  11.764
  453    H    ASN  56           H        ASN  56  11.242  -0.757   8.380
  454    HA   ASN  56           HA       ASN  56  11.087  -2.716   7.222
  455   1HB   ASN  56          2HB       ASN  56  13.080  -2.425   8.990
  456   2HB   ASN  56          3HB       ASN  56  12.398  -3.904   9.659
  457   1HD2  ASN  56          2HD2      ASN  56  13.288  -2.430   6.470
  458   2HD2  ASN  56          1HD2      ASN  56  13.939  -3.957   5.861
  459    H    VAL  57           H        VAL  57   8.659  -2.658   7.607
  460    HA   VAL  57           HA       VAL  57   7.597  -4.950   9.147
  461    HB   VAL  57           HB       VAL  57   6.570  -2.395   8.247
  462   1HG1  VAL  57          1HG1      VAL  57   4.735  -4.695   7.482
  463   2HG1  VAL  57          2HG1      VAL  57   4.293  -2.976   7.618
  464   3HG1  VAL  57          3HG1      VAL  57   5.431  -3.483   6.383
  465   1HG2  VAL  57          1HG2      VAL  57   6.563  -3.408  10.503
  466   2HG2  VAL  57          2HG2      VAL  57   4.956  -2.874   9.978
  467   3HG2  VAL  57          3HG2      VAL  57   5.380  -4.600   9.957
  468    H    LEU  58           H        LEU  58   7.201  -6.825   8.430
  469    HA   LEU  58           HA       LEU  58   7.488  -7.637   5.672
  470   1HB   LEU  58          2HB       LEU  58   7.924  -9.010   7.749
  471   2HB   LEU  58          3HB       LEU  58   6.187  -9.121   7.988
  472    HG   LEU  58           HG       LEU  58   7.563 -10.016   5.408
  473   1HD1  LEU  58          1HD1      LEU  58   6.916 -11.678   7.875
  474   2HD1  LEU  58          2HD1      LEU  58   7.522 -12.299   6.324
  475   3HD1  LEU  58          3HD1      LEU  58   8.546 -11.235   7.304
  476   1HD2  LEU  58          1HD2      LEU  58   5.157  -9.846   5.112
  477   2HD2  LEU  58          2HD2      LEU  58   5.554 -11.548   5.276
  478   3HD2  LEU  58          3HD2      LEU  58   4.851 -10.670   6.655
  479    H    TRP  59           H        TRP  59   6.076  -6.805   4.262
  480    HA   TRP  59           HA       TRP  59   3.368  -6.039   4.871
  481   1HB   TRP  59          2HB       TRP  59   4.823  -6.544   2.246
  482   2HB   TRP  59          3HB       TRP  59   3.188  -5.916   2.326
  483    HD1  TRP  59           HD1      TRP  59   6.298  -4.635   1.515
  484    HE1  TRP  59           HE1      TRP  59   6.573  -2.098   2.088
  485    HE3  TRP  59           HE3      TRP  59   2.429  -4.066   4.822
  486    HZ2  TRP  59           HZ2      TRP  59   5.504  -0.259   3.931
  487    HZ3  TRP  59           HZ3      TRP  59   2.072  -1.936   5.982
  488    HH2  TRP  59           HH2      TRP  59   3.635  -0.001   5.587
  489    H    ASP  60           H        ASP  60   2.184  -7.735   5.752
  490    HA   ASP  60           HA       ASP  60   1.170  -9.637   3.696
  491   1HB   ASP  60          2HB       ASP  60   0.662 -11.272   5.195
  492   2HB   ASP  60          3HB       ASP  60   2.249 -10.748   5.716
  493    H    GLU  61           H        GLU  61  -1.140 -10.282   4.240
  494    HA   GLU  61           HA       GLU  61  -2.869  -8.197   3.669
  495   1HB   GLU  61          2HB       GLU  61  -3.393 -10.909   4.965
  496   2HB   GLU  61          3HB       GLU  61  -4.660  -9.793   4.488
  497   1HG   GLU  61          2HG       GLU  61  -4.644 -11.144   2.684
  498   2HG   GLU  61          3HG       GLU  61  -3.639  -9.825   2.117
  499    H    ASN  62           H        ASN  62  -2.193  -9.350   7.069
  500    HA   ASN  62           HA       ASN  62  -4.265  -7.546   8.088
  501   1HB   ASN  62          2HB       ASN  62  -3.703  -8.543  10.210
  502   2HB   ASN  62          3HB       ASN  62  -4.031  -9.790   9.026
  503   1HD2  ASN  62          2HD2      ASN  62  -2.290 -11.243   8.445
  504   2HD2  ASN  62          1HD2      ASN  62  -0.691 -10.938   9.028
  505    H    ASN  63           H        ASN  63  -0.696  -7.775   8.145
  506    HA   ASN  63           HA       ASN  63  -0.292  -5.483   9.805
  507   1HB   ASN  63          2HB       ASN  63   1.280  -7.417   9.384
  508   2HB   ASN  63          3HB       ASN  63   1.557  -6.823   7.760
  509   1HD2  ASN  63          2HD2      ASN  63   1.648  -3.860   8.736
  510   2HD2  ASN  63          1HD2      ASN  63   3.267  -3.902   9.443
  511    H    MET  64           H        MET  64  -0.401  -5.870   6.237
  512    HA   MET  64           HA       MET  64   0.171  -3.061   5.682
  513   1HB   MET  64          2HB       MET  64   0.284  -5.031   4.034
  514   2HB   MET  64          3HB       MET  64  -1.471  -4.973   4.017
  515   1HG   MET  64          2HG       MET  64  -1.293  -2.548   3.285
  516   2HG   MET  64          3HG       MET  64   0.445  -2.791   3.133
  517   1HE   MET  64          1HE       MET  64   0.423  -5.927   2.062
  518   2HE   MET  64          2HE       MET  64   0.649  -5.554   0.360
  519   3HE   MET  64          3HE       MET  64   1.520  -4.603   1.580
  520    H    SER  65           H        SER  65  -2.803  -4.894   6.529
  521    HA   SER  65           HA       SER  65  -4.470  -2.761   5.638
  522   1HB   SER  65          2HB       SER  65  -6.367  -3.902   6.453
  523   2HB   SER  65          3HB       SER  65  -5.261  -5.098   5.763
  524    HG   SER  65           HG       SER  65  -6.059  -5.860   7.693
  525    H    GLU  66           H        GLU  66  -3.134  -3.415   8.820
  526    HA   GLU  66           HA       GLU  66  -4.220  -1.228  10.292
  527   1HB   GLU  66          2HB       GLU  66  -2.778  -2.974  11.258
  528   2HB   GLU  66          3HB       GLU  66  -1.436  -2.467  10.253
  529   1HG   GLU  66          2HG       GLU  66  -1.105  -1.647  12.492
  530   2HG   GLU  66          3HG       GLU  66  -1.320  -0.288  11.391
  531    H    TYR  67           H        TYR  67  -1.135  -1.225   8.496
  532    HA   TYR  67           HA       TYR  67  -0.564   1.498   8.538
  533   1HB   TYR  67          2HB       TYR  67   1.002  -0.199   7.782
  534   2HB   TYR  67          3HB       TYR  67   0.000  -0.581   6.402
  535    HD1  TYR  67           HD1      TYR  67   0.740   0.221   4.331
  536    HD2  TYR  67           HD2      TYR  67   1.580   2.447   7.907
  537    HE1  TYR  67           HE1      TYR  67   2.117   1.827   3.015
  538    HE2  TYR  67           HE2      TYR  67   2.944   4.092   6.568
  539    HH   TYR  67           HH       TYR  67   4.028   3.377   3.472
  540    H    LEU  68           H        LEU  68  -2.609  -0.161   6.099
  541    HA   LEU  68           HA       LEU  68  -3.168   2.323   4.658
  542   1HB   LEU  68          2HB       LEU  68  -4.448  -0.413   4.642
  543   2HB   LEU  68          3HB       LEU  68  -4.880   0.879   3.502
  544    HG   LEU  68           HG       LEU  68  -2.098  -0.358   3.731
  545   1HD1  LEU  68          1HD1      LEU  68  -4.293  -0.786   1.672
  546   2HD1  LEU  68          2HD1      LEU  68  -2.660  -1.457   1.602
  547   3HD1  LEU  68          3HD1      LEU  68  -3.751  -1.981   2.890
  548   1HD2  LEU  68          1HD2      LEU  68  -1.959   1.885   2.886
  549   2HD2  LEU  68          2HD2      LEU  68  -1.723   0.731   1.586
  550   3HD2  LEU  68          3HD2      LEU  68  -3.282   1.586   1.727
  551    H    THR  69           H        THR  69  -4.299   1.273   7.619
  552    HA   THR  69           HA       THR  69  -6.861   2.752   7.547
  553    HB   THR  69           HB       THR  69  -5.661   1.218   9.805
  554    HG1  THR  69           1HG      THR  69  -6.174  -0.221   8.299
  555   1HG2  THR  69          1HG2      THR  69  -8.497   2.235   9.372
  556   2HG2  THR  69          2HG2      THR  69  -7.931   1.231  10.718
  557   3HG2  THR  69          3HG2      THR  69  -7.337   2.886  10.562
  558    H    ASN  70           H        ASN  70  -3.633   2.894   9.089
  559    HA   ASN  70           HA       ASN  70  -3.941   5.835   9.308
  560   1HB   ASN  70          2HB       ASN  70  -4.857   4.791  11.407
  561   2HB   ASN  70          3HB       ASN  70  -3.246   4.162  11.745
  562   1HD2  ASN  70          2HD2      ASN  70  -4.464   5.780  13.510
  563   2HD2  ASN  70          1HD2      ASN  70  -3.753   7.416  13.467
  564    HA   PRO  71           HA       PRO  71   0.140   4.164   7.940
  565   1HB   PRO  71          2HB       PRO  71   0.745   6.018   5.971
  566   2HB   PRO  71          3HB       PRO  71  -0.285   4.585   5.709
  567   1HG   PRO  71          2HG       PRO  71  -1.157   7.428   6.305
  568   2HG   PRO  71          3HG       PRO  71  -1.799   6.311   5.074
  569   1HD   PRO  71          2HD       PRO  71  -3.050   6.660   7.455
  570   2HD   PRO  71          3HD       PRO  71  -2.985   5.046   6.683
  571    H    LYS  72           H        LYS  72  -0.604   7.535   8.258
  572    HA   LYS  72           HA       LYS  72   1.934   8.598   8.896
  573   1HB   LYS  72          2HB       LYS  72  -0.256   9.653   8.057
  574   2HB   LYS  72          3HB       LYS  72  -0.743   9.768   9.750
  575   1HG   LYS  72          2HG       LYS  72   1.223  11.187  10.230
  576   2HG   LYS  72          3HG       LYS  72   1.813  10.976   8.574
  577   1HD   LYS  72          2HD       LYS  72  -0.815  12.320   9.353
  578   2HD   LYS  72          3HD       LYS  72   0.688  13.159   8.927
  579   1HE   LYS  72          2HE       LYS  72   0.654  12.048   6.688
  580   2HE   LYS  72          3HE       LYS  72  -0.877  11.277   7.090
  581   1HZ   LYS  72          1HZ       LYS  72  -0.466  14.198   6.883
  582   2HZ   LYS  72          2HZ       LYS  72  -1.258  13.230   5.807
  583   3HZ   LYS  72          3HZ       LYS  72  -1.884  13.449   7.304
  584    H    LYS  73           H        LYS  73  -0.234   6.905  11.031
  585    HA   LYS  73           HA       LYS  73   1.467   7.721  13.357
  586   1HB   LYS  73          2HB       LYS  73  -1.029   7.783  13.679
  587   2HB   LYS  73          3HB       LYS  73  -1.075   6.050  13.353
  588   1HG   LYS  73          2HG       LYS  73  -1.193   6.389  15.737
  589   2HG   LYS  73          3HG       LYS  73   0.319   5.601  15.337
  590   1HD   LYS  73          2HD       LYS  73   0.868   7.200  16.997
  591   2HD   LYS  73          3HD       LYS  73   1.466   7.876  15.500
  592   1HE   LYS  73          2HE       LYS  73   0.434   9.696  16.576
  593   2HE   LYS  73          3HE       LYS  73  -0.738   9.200  15.351
  594   1HZ   LYS  73          1HZ       LYS  73  -0.813   8.479  18.235
  595   2HZ   LYS  73          2HZ       LYS  73  -1.810   9.552  17.502
  596   3HZ   LYS  73          3HZ       LYS  73  -1.898   7.947  17.127
  597    H    TYR  74           H        TYR  74   0.495   4.828  11.484
  598    HA   TYR  74           HA       TYR  74   1.901   2.932  13.038
  599   1HB   TYR  74          2HB       TYR  74   0.130   2.564  11.272
  600   2HB   TYR  74          3HB       TYR  74   1.343   2.870  10.050
  601    HD1  TYR  74           HD1      TYR  74   0.548   0.707  12.992
  602    HD2  TYR  74           HD2      TYR  74   2.784   1.074   9.326
  603    HE1  TYR  74           HE1      TYR  74   1.374  -1.606  13.275
  604    HE2  TYR  74           HE2      TYR  74   3.608  -1.236   9.590
  605    HH   TYR  74           HH       TYR  74   2.469  -3.337  12.207
  606    H    ILE  75           H        ILE  75   2.954   4.841  10.309
  607    HA   ILE  75           HA       ILE  75   5.822   4.251  10.991
  608    HB   ILE  75           HB       ILE  75   4.804   5.021   8.248
  609   1HG1  ILE  75          2HG1      ILE  75   5.406   2.304   9.418
  610   2HG1  ILE  75          3HG1      ILE  75   3.962   2.858   8.590
  611   1HG2  ILE  75          1HG2      ILE  75   7.527   4.004   9.212
  612   2HG2  ILE  75          2HG2      ILE  75   7.102   4.581   7.577
  613   3HG2  ILE  75          3HG2      ILE  75   7.159   5.713   8.903
  614   1HD1  ILE  75          1HD1      ILE  75   6.653   2.226   7.347
  615   2HD1  ILE  75          2HD1      ILE  75   5.109   1.402   7.095
  616   3HD1  ILE  75          3HD1      ILE  75   5.339   3.048   6.466
  617    HA   PRO  76           HA       PRO  76   4.505   8.525  12.043
  618   1HB   PRO  76          2HB       PRO  76   6.022   8.945  14.280
  619   2HB   PRO  76          3HB       PRO  76   4.520   7.971  14.270
  620   1HG   PRO  76          2HG       PRO  76   7.382   6.980  14.086
  621   2HG   PRO  76          3HG       PRO  76   6.067   6.380  15.143
  622   1HD   PRO  76          2HD       PRO  76   6.703   5.175  12.783
  623   2HD   PRO  76          3HD       PRO  76   5.013   5.266  13.352
  624    H    GLY  77           H        GLY  77   5.300   9.555  10.297
  625   1HA   GLY  77          1HA       GLY  77   6.967  11.425   9.786
  626   2HA   GLY  77          2HA       GLY  77   8.224  10.253  10.152
  627    H    THR  78           H        THR  78   5.909   8.440   8.601
  628    HA   THR  78           HA       THR  78   7.244   8.005   6.201
  629    HB   THR  78           HB       THR  78   5.532   6.528   6.985
  630    HG1  THR  78           1HG      THR  78   5.877   6.543   4.778
  631   1HG2  THR  78          1HG2      THR  78   3.417   8.573   6.173
  632   2HG2  THR  78          2HG2      THR  78   3.158   6.954   6.850
  633   3HG2  THR  78          3HG2      THR  78   3.861   8.233   7.855
  634    H    LYS  79           H        LYS  79   7.158   8.678   4.171
  635    HA   LYS  79           HA       LYS  79   6.216  11.349   3.393
  636   1HB   LYS  79          2HB       LYS  79   8.222   9.978   2.505
  637   2HB   LYS  79          3HB       LYS  79   7.038   9.089   1.592
  638   1HG   LYS  79          2HG       LYS  79   6.477  11.200   0.354
  639   2HG   LYS  79          3HG       LYS  79   7.843  11.963   1.212
  640   1HD   LYS  79          2HD       LYS  79   9.341  10.116   0.372
  641   2HD   LYS  79          3HD       LYS  79   7.975   9.437  -0.513
  642   1HE   LYS  79          2HE       LYS  79   7.833  11.598  -1.816
  643   2HE   LYS  79          3HE       LYS  79   9.329  12.102  -1.010
  644   1HZ   LYS  79          1HZ       LYS  79   8.975   9.764  -2.820
  645   2HZ   LYS  79          2HZ       LYS  79   9.882  11.061  -3.114
  646   3HZ   LYS  79          3HZ       LYS  79  10.349  10.011  -1.934
  647    H    MET  80           H        MET  80   4.608   8.283   3.674
  648    HA   MET  80           HA       MET  80   2.502   8.762   1.741
  649   1HB   MET  80          2HB       MET  80   3.144   6.496   2.451
  650   2HB   MET  80          3HB       MET  80   2.647   6.845   4.106
  651   1HG   MET  80          2HG       MET  80   0.424   6.843   3.627
  652   2HG   MET  80          3HG       MET  80   0.643   7.357   1.961
  653   1HE   MET  80          1HE       MET  80  -1.520   5.642   1.888
  654   2HE   MET  80          2HE       MET  80  -1.358   3.877   2.015
  655   3HE   MET  80          3HE       MET  80  -1.226   4.874   3.471
  656    H    ALA  81           H        ALA  81   2.403  11.009   2.426
  657    HA   ALA  81           HA       ALA  81   1.253  11.941   4.769
  658   1HB   ALA  81          1HB       ALA  81   1.085  13.101   1.948
  659   2HB   ALA  81          2HB       ALA  81   0.877  14.020   3.452
  660   3HB   ALA  81          3HB       ALA  81   2.451  13.299   3.068
  661    H    PHE  82           H        PHE  82  -0.311   9.833   3.194
  662    HA   PHE  82           HA       PHE  82  -3.002  10.741   2.657
  663   1HB   PHE  82          2HB       PHE  82  -1.932   8.732   1.690
  664   2HB   PHE  82          3HB       PHE  82  -1.835   8.006   3.284
  665    HD1  PHE  82           HD1      PHE  82  -4.632   9.641   1.272
  666    HD2  PHE  82           HD2      PHE  82  -3.232   6.145   3.382
  667    HE1  PHE  82           HE1      PHE  82  -6.781   8.491   0.830
  668    HE2  PHE  82           HE2      PHE  82  -5.351   4.990   2.878
  669    HZ   PHE  82           HZ       PHE  82  -7.133   6.151   1.617
  670    H    GLY  83           H        GLY  83  -4.930   9.912   3.859
  671   1HA   GLY  83          1HA       GLY  83  -4.690  10.397   6.795
  672   2HA   GLY  83          2HA       GLY  83  -6.161  10.459   5.825
  673    H    GLY  84           H        GLY  84  -4.867   7.716   4.720
  674   1HA   GLY  84          1HA       GLY  84  -5.220   5.431   5.153
  675   2HA   GLY  84          2HA       GLY  84  -5.732   5.820   6.783
  676    H    LEU  85           H        LEU  85  -7.146   3.982   5.286
  677    HA   LEU  85           HA       LEU  85  -9.776   5.319   4.811
  678   1HB   LEU  85          2HB       LEU  85  -8.753   2.494   4.372
  679   2HB   LEU  85          3HB       LEU  85 -10.448   2.934   4.200
  680    HG   LEU  85           HG       LEU  85  -8.184   4.186   2.572
  681   1HD1  LEU  85          1HD1      LEU  85 -10.154   2.012   1.758
  682   2HD1  LEU  85          2HD1      LEU  85  -8.949   2.799   0.716
  683   3HD1  LEU  85          3HD1      LEU  85  -8.414   1.794   2.065
  684   1HD2  LEU  85          1HD2      LEU  85 -10.148   5.652   2.683
  685   2HD2  LEU  85          2HD2      LEU  85 -10.038   4.926   1.082
  686   3HD2  LEU  85          3HD2      LEU  85 -11.220   4.294   2.249
  687    H    LYS  86           H        LYS  86 -11.607   4.172   5.955
  688    HA   LYS  86           HA       LYS  86 -10.901   3.164   8.689
  689   1HB   LYS  86          2HB       LYS  86 -12.691   5.597   8.251
  690   2HB   LYS  86          3HB       LYS  86 -12.655   4.632   9.707
  691   1HG   LYS  86          2HG       LYS  86 -11.195   6.073  10.470
  692   2HG   LYS  86          3HG       LYS  86 -10.011   5.130   9.606
  693   1HD   LYS  86          2HD       LYS  86 -11.285   7.313   7.991
  694   2HD   LYS  86          3HD       LYS  86 -10.496   7.886   9.440
  695   1HE   LYS  86          2HE       LYS  86  -9.189   6.351   7.169
  696   2HE   LYS  86          3HE       LYS  86  -9.010   8.050   7.544
  697   1HZ   LYS  86          1HZ       LYS  86  -7.800   5.761   8.886
  698   2HZ   LYS  86          2HZ       LYS  86  -7.179   7.216   8.506
  699   3HZ   LYS  86          3HZ       LYS  86  -8.171   7.086   9.813
  700    H    LYS  87           H        LYS  87 -13.563   3.531   6.337
  701    HA   LYS  87           HA       LYS  87 -15.268   1.608   7.721
  702   1HB   LYS  87          2HB       LYS  87 -15.167   2.286   4.760
  703   2HB   LYS  87          3HB       LYS  87 -16.400   1.308   5.565
  704   1HG   LYS  87          2HG       LYS  87 -16.657   3.539   7.049
  705   2HG   LYS  87          3HG       LYS  87 -15.965   4.284   5.606
  706   1HD   LYS  87          2HD       LYS  87 -18.578   2.795   5.947
  707   2HD   LYS  87          3HD       LYS  87 -18.339   4.436   5.371
  708   1HE   LYS  87          2HE       LYS  87 -17.669   1.856   3.882
  709   2HE   LYS  87          3HE       LYS  87 -19.061   2.894   3.565
  710   1HZ   LYS  87          1HZ       LYS  87 -16.512   4.240   3.401
  711   2HZ   LYS  87          2HZ       LYS  87 -16.606   3.007   2.400
  712   3HZ   LYS  87          3HZ       LYS  87 -17.741   4.208   2.285
  713    H    GLU  88           H        GLU  88 -14.827  -0.463   8.027
  714    HA   GLU  88           HA       GLU  88 -12.572  -1.779   7.148
  715   1HB   GLU  88          2HB       GLU  88 -14.140  -2.291   9.086
  716   2HB   GLU  88          3HB       GLU  88 -15.123  -3.229   7.961
  717   1HG   GLU  88          2HG       GLU  88 -13.270  -4.720   7.458
  718   2HG   GLU  88          3HG       GLU  88 -12.131  -3.695   8.338
  719    H    LYS  89           H        LYS  89 -15.742  -1.893   5.607
  720    HA   LYS  89           HA       LYS  89 -15.387  -3.955   3.721
  721   1HB   LYS  89          2HB       LYS  89 -16.873  -1.354   3.223
  722   2HB   LYS  89          3HB       LYS  89 -17.099  -2.923   2.459
  723   1HG   LYS  89          2HG       LYS  89 -17.463  -3.657   5.007
  724   2HG   LYS  89          3HG       LYS  89 -17.965  -1.982   5.173
  725   1HD   LYS  89          2HD       LYS  89 -19.138  -4.023   3.219
  726   2HD   LYS  89          3HD       LYS  89 -19.861  -3.525   4.756
  727   1HE   LYS  89          2HE       LYS  89 -19.960  -1.164   3.901
  728   2HE   LYS  89          3HE       LYS  89 -19.369  -1.727   2.336
  729   1HZ   LYS  89          1HZ       LYS  89 -21.874  -2.675   3.623
  730   2HZ   LYS  89          2HZ       LYS  89 -21.814  -1.562   2.420
  731   3HZ   LYS  89          3HZ       LYS  89 -21.355  -3.104   2.130
  732    H    ASP  90           H        ASP  90 -14.807  -0.522   3.241
  733    HA   ASP  90           HA       ASP  90 -13.656  -0.474   0.697
  734   1HB   ASP  90          2HB       ASP  90 -13.013   1.330   3.086
  735   2HB   ASP  90          3HB       ASP  90 -12.785   1.671   1.393
  736    H    ARG  91           H        ARG  91 -12.139  -0.753   3.914
  737    HA   ARG  91           HA       ARG  91  -9.432  -1.003   3.034
  738   1HB   ARG  91          2HB       ARG  91 -10.889  -1.921   5.535
  739   2HB   ARG  91          3HB       ARG  91  -9.212  -2.352   5.302
  740   1HG   ARG  91          2HG       ARG  91 -10.055   0.555   5.112
  741   2HG   ARG  91          3HG       ARG  91  -9.873  -0.217   6.680
  742   1HD   ARG  91          2HD       ARG  91  -7.819   0.971   6.053
  743   2HD   ARG  91          3HD       ARG  91  -7.559  -0.751   6.286
  744    HE   ARG  91           HE       ARG  91  -7.546   0.727   3.698
  745   1HH1  ARG  91          1HH2      ARG  91  -6.381  -1.948   5.414
  746   2HH1  ARG  91          2HH2      ARG  91  -5.948  -2.885   3.998
  747   1HH2  ARG  91          1HH1      ARG  91  -7.258  -0.557   1.838
  748   2HH2  ARG  91          2HH1      ARG  91  -6.557  -2.131   1.990
  749    H    ASN  92           H        ASN  92 -11.830  -3.547   3.633
  750    HA   ASN  92           HA       ASN  92  -9.828  -5.557   2.956
  751   1HB   ASN  92          2HB       ASN  92 -10.924  -6.808   4.292
  752   2HB   ASN  92          3HB       ASN  92 -12.021  -5.513   4.658
  753   1HD2  ASN  92          2HD2      ASN  92 -13.894  -5.432   2.661
  754   2HD2  ASN  92          1HD2      ASN  92 -14.529  -7.098   2.508
  755    H    ASP  93           H        ASP  93 -12.485  -4.203   1.161
  756    HA   ASP  93           HA       ASP  93 -12.309  -5.832  -1.222
  757   1HB   ASP  93          2HB       ASP  93 -13.071  -2.966  -0.622
  758   2HB   ASP  93          3HB       ASP  93 -12.684  -3.392  -2.280
  759    H    LEU  94           H        LEU  94 -10.461  -2.892  -0.255
  760    HA   LEU  94           HA       LEU  94  -8.692  -2.853  -2.441
  761   1HB   LEU  94          2HB       LEU  94  -8.988  -1.357  -0.084
  762   2HB   LEU  94          3HB       LEU  94  -7.429  -2.132   0.107
  763    HG   LEU  94           HG       LEU  94  -6.923  -1.278  -2.322
  764   1HD1  LEU  94          1HD1      LEU  94  -9.210   0.538  -1.430
  765   2HD1  LEU  94          2HD1      LEU  94  -8.163   0.826  -2.833
  766   3HD1  LEU  94          3HD1      LEU  94  -9.254  -0.569  -2.819
  767   1HD2  LEU  94          1HD2      LEU  94  -5.802  -0.410  -0.304
  768   2HD2  LEU  94          2HD2      LEU  94  -6.203   0.892  -1.425
  769   3HD2  LEU  94          3HD2      LEU  94  -7.201   0.667   0.015
  770    H    ILE  95           H        ILE  95  -8.279  -4.649   0.645
  771    HA   ILE  95           HA       ILE  95  -5.659  -5.721   0.095
  772    HB   ILE  95           HB       ILE  95  -7.932  -7.006   1.666
  773   1HG1  ILE  95          2HG1      ILE  95  -5.556  -5.469   2.822
  774   2HG1  ILE  95          3HG1      ILE  95  -7.097  -4.703   2.485
  775   1HG2  ILE  95          1HG2      ILE  95  -4.931  -7.586   1.706
  776   2HG2  ILE  95          2HG2      ILE  95  -6.135  -8.322   2.781
  777   3HG2  ILE  95          3HG2      ILE  95  -6.188  -8.661   1.061
  778   1HD1  ILE  95          1HD1      ILE  95  -6.531  -6.850   4.532
  779   2HD1  ILE  95          2HD1      ILE  95  -7.291  -5.256   4.741
  780   3HD1  ILE  95          3HD1      ILE  95  -8.178  -6.554   3.948
  781    H    THR  96           H        THR  96  -8.894  -7.176  -0.420
  782    HA   THR  96           HA       THR  96  -8.044  -9.530  -1.650
  783    HB   THR  96           HB       THR  96 -10.472  -8.292  -1.003
  784    HG1  THR  96           1HG      THR  96 -11.192 -10.324  -1.177
  785   1HG2  THR  96          1HG2      THR  96 -10.600  -9.231  -3.884
  786   2HG2  THR  96          2HG2      THR  96 -11.960  -8.878  -2.810
  787   3HG2  THR  96          3HG2      THR  96 -10.892  -7.560  -3.306
  788    H    TYR  97           H        TYR  97  -8.658  -6.410  -3.180
  789    HA   TYR  97           HA       TYR  97  -7.993  -7.138  -5.902
  790   1HB   TYR  97          2HB       TYR  97  -9.133  -5.120  -5.651
  791   2HB   TYR  97          3HB       TYR  97  -8.134  -4.578  -4.314
  792    HD1  TYR  97           HD1      TYR  97  -7.634  -5.577  -7.918
  793    HD2  TYR  97           HD2      TYR  97  -6.619  -2.858  -4.729
  794    HE1  TYR  97           HE1      TYR  97  -6.049  -4.400  -9.430
  795    HE2  TYR  97           HE2      TYR  97  -5.042  -1.676  -6.259
  796    HH   TYR  97           HH       TYR  97  -4.437  -2.760  -9.587
  797    H    LEU  98           H        LEU  98  -5.931  -5.371  -3.481
  798    HA   LEU  98           HA       LEU  98  -3.798  -5.300  -5.329
  799   1HB   LEU  98          2HB       LEU  98  -4.425  -4.340  -2.669
  800   2HB   LEU  98          3HB       LEU  98  -2.833  -4.997  -2.605
  801    HG   LEU  98           HG       LEU  98  -3.550  -3.143  -4.899
  802   1HD1  LEU  98          1HD1      LEU  98  -2.743  -2.237  -2.112
  803   2HD1  LEU  98          2HD1      LEU  98  -2.904  -1.213  -3.566
  804   3HD1  LEU  98          3HD1      LEU  98  -4.336  -1.990  -2.871
  805   1HD2  LEU  98          1HD2      LEU  98  -1.331  -4.320  -4.817
  806   2HD2  LEU  98          2HD2      LEU  98  -1.197  -2.553  -4.756
  807   3HD2  LEU  98          3HD2      LEU  98  -1.004  -3.510  -3.271
  808    H    LYS  99           H        LYS  99  -4.540  -7.654  -2.940
  809    HA   LYS  99           HA       LYS  99  -2.117  -9.236  -3.142
  810   1HB   LYS  99          2HB       LYS  99  -4.242  -9.271  -1.485
  811   2HB   LYS  99          3HB       LYS  99  -4.768 -10.562  -2.557
  812   1HG   LYS  99          2HG       LYS  99  -2.015 -10.423  -1.226
  813   2HG   LYS  99          3HG       LYS  99  -3.429 -11.125  -0.438
  814   1HD   LYS  99          2HD       LYS  99  -3.640 -12.847  -2.108
  815   2HD   LYS  99          3HD       LYS  99  -2.345 -12.124  -3.100
  816   1HE   LYS  99          2HE       LYS  99  -0.696 -12.500  -1.380
  817   2HE   LYS  99          3HE       LYS  99  -1.916 -13.038  -0.219
  818   1HZ   LYS  99          1HZ       LYS  99  -2.029 -15.072  -1.242
  819   2HZ   LYS  99          2HZ       LYS  99  -1.699 -14.473  -2.760
  820   3HZ   LYS  99          3HZ       LYS  99  -0.501 -14.666  -1.769
  821    H    LYS 100           H        LYS 100  -5.205  -9.380  -4.906
  822    HA   LYS 100           HA       LYS 100  -4.427 -11.489  -6.766
  823   1HB   LYS 100          2HB       LYS 100  -6.757 -10.772  -6.046
  824   2HB   LYS 100          3HB       LYS 100  -6.601  -9.373  -7.080
  825   1HG   LYS 100          2HG       LYS 100  -7.942 -11.149  -8.097
  826   2HG   LYS 100          3HG       LYS 100  -6.553 -10.752  -9.088
  827   1HD   LYS 100          2HD       LYS 100  -6.274 -13.033  -7.132
  828   2HD   LYS 100          3HD       LYS 100  -7.326 -13.286  -8.534
  829   1HE   LYS 100          2HE       LYS 100  -5.551 -12.899 -10.108
  830   2HE   LYS 100          3HE       LYS 100  -4.511 -12.223  -8.853
  831   1HZ   LYS 100          1HZ       LYS 100  -5.200 -15.096  -8.969
  832   2HZ   LYS 100          2HZ       LYS 100  -3.719 -14.338  -9.202
  833   3HZ   LYS 100          3HZ       LYS 100  -4.312 -14.263  -7.794
  834    H    ALA 101           H        ALA 101  -3.726  -8.265  -6.581
  835    HA   ALA 101           HA       ALA 101  -2.991  -7.865  -9.425
  836   1HB   ALA 101          1HB       ALA 101  -2.461  -5.980  -7.108
  837   2HB   ALA 101          2HB       ALA 101  -2.485  -5.613  -8.841
  838   3HB   ALA 101          3HB       ALA 101  -3.994  -6.033  -8.010
  839    H    THR 102           H        THR 102  -1.421  -9.281  -6.726
  840    HA   THR 102           HA       THR 102   1.159  -9.181  -8.234
  841    HB   THR 102           HB       THR 102   1.352  -7.817  -6.251
  842    HG1  THR 102           1HG      THR 102   2.775 -10.235  -6.437
  843   1HG2  THR 102          1HG2      THR 102   0.823 -10.379  -4.692
  844   2HG2  THR 102          2HG2      THR 102   1.578  -8.918  -4.054
  845   3HG2  THR 102          3HG2      THR 102  -0.105  -8.865  -4.628
  846    H    GLU 103           H        GLU 103  -1.236 -11.200  -6.625
  847    HA   GLU 103           HA       GLU 103   0.127 -13.666  -7.576
  848   1HB   GLU 103          2HB       GLU 103  -1.190 -13.196  -4.870
  849   2HB   GLU 103          3HB       GLU 103  -0.776 -14.778  -5.535
  850   1HG   GLU 103          2HG       GLU 103   1.625 -14.159  -5.539
  851   2HG   GLU 103          3HG       GLU 103   1.191 -12.570  -4.864
  852    HHA  HEC 104           HHA      HEC 104   5.230   2.890   0.929
  853    HHB  HEC 104           HHB      HEC 104  -0.507   0.276  -0.472
  854    HHC  HEC 104           HHC      HEC 104  -3.008   6.224  -1.154
  855    HHD  HEC 104           HHD      HEC 104   2.955   8.599  -0.976
  856   1HMA  HEC 104          1HMA      HEC 104   1.651  -1.409   1.392
  857   2HMA  HEC 104          2HMA      HEC 104   0.958  -1.359  -0.242
  858   3HMA  HEC 104          3HMA      HEC 104   2.676  -1.701  -0.031
  859   1HAA  HEC 104          1HAA      HEC 104   4.447  -0.828   1.204
  860   2HAA  HEC 104          2HAA      HEC 104   5.081   0.696   1.818
  861   1HBA  HEC 104          1HBA      HEC 104   5.877   1.230  -0.528
  862   2HBA  HEC 104          2HBA      HEC 104   5.341  -0.372  -1.020
  863   1HMB  HEC 104          1HMB      HEC 104  -3.392   0.392  -0.398
  864   2HMB  HEC 104          2HMB      HEC 104  -3.932   1.046  -1.958
  865   3HMB  HEC 104          3HMB      HEC 104  -2.359   0.267  -1.834
  866    HAB  HEC 104           HAB      HEC 104  -4.524   4.904  -1.023
  867   1HBB  HEC 104          1HBB      HEC 104  -4.689   3.716   1.071
  868   2HBB  HEC 104          2HBB      HEC 104  -6.222   3.685   0.170
  869   3HBB  HEC 104          3HBB      HEC 104  -5.177   2.247   0.228
  870   1HMC  HEC 104          1HMC      HEC 104  -3.086   8.699  -0.860
  871   2HMC  HEC 104          2HMC      HEC 104  -2.211   9.844  -1.881
  872   3HMC  HEC 104          3HMC      HEC 104  -2.764   8.312  -2.562
  873    HAC  HEC 104           HAC      HEC 104   1.723   9.862  -2.036
  874   1HBC  HEC 104          1HBC      HEC 104   0.766  11.000  -0.127
  875   2HBC  HEC 104          2HBC      HEC 104   0.748  12.013  -1.581
  876   3HBC  HEC 104          3HBC      HEC 104  -0.751  11.260  -1.008
  877   1HMD  HEC 104          1HMD      HEC 104   5.532   8.709  -0.014
  878   2HMD  HEC 104          2HMD      HEC 104   6.611   7.597  -0.916
  879   3HMD  HEC 104          3HMD      HEC 104   5.149   8.240  -1.666
  880   1HAD  HEC 104          1HAD      HEC 104   7.316   5.027   0.309
  881   2HAD  HEC 104          2HAD      HEC 104   6.463   4.525   1.778
  882   1HBD  HEC 104          1HBD      HEC 104   6.156   7.150   2.063
  883   2HBD  HEC 104          2HBD      HEC 104   7.639   7.148   1.068
  Start of MODEL   20
    1   1H    THR  -5          H1        THR  -5 -12.918 -12.676   9.596
    2   2H    THR  -5          H2        THR  -5 -13.848 -11.927  10.726
    3   3H    THR  -5          H3        THR  -5 -14.199 -13.484  10.245
    4    HA   THR  -5           HA       THR  -5 -13.207 -13.440  12.416
    5    HB   THR  -5           HB       THR  -5 -11.375 -14.681  10.346
    6    HG1  THR  -5           1HG      THR  -5 -12.874 -16.372  10.523
    7   1HG2  THR  -5          1HG2      THR  -5 -12.399 -15.670  13.070
    8   2HG2  THR  -5          2HG2      THR  -5 -11.215 -16.486  12.018
    9   3HG2  THR  -5          3HG2      THR  -5 -10.778 -14.983  12.828
   10    H    GLU  -4           H        GLU  -4  -9.972 -13.536  11.357
   11    HA   GLU  -4           HA       GLU  -4  -9.149 -10.923  12.265
   12   1HB   GLU  -4          2HB       GLU  -4  -7.691 -12.558  10.166
   13   2HB   GLU  -4          3HB       GLU  -4  -7.058 -11.499  11.409
   14   1HG   GLU  -4          2HG       GLU  -4  -6.404 -13.569  12.141
   15   2HG   GLU  -4          3HG       GLU  -4  -7.850 -13.281  13.108
   16    H    PHE  -3           H        PHE  -3 -10.125 -12.362   9.225
   17    HA   PHE  -3           HA       PHE  -3 -10.329  -9.709   7.865
   18   1HB   PHE  -3          2HB       PHE  -3  -8.222 -10.906   7.361
   19   2HB   PHE  -3          3HB       PHE  -3  -9.127 -12.331   6.879
   20    HD1  PHE  -3           HD1      PHE  -3  -9.428 -12.666   4.579
   21    HD2  PHE  -3           HD2      PHE  -3  -8.795  -8.666   6.061
   22    HE1  PHE  -3           HE1      PHE  -3  -9.405 -11.800   2.247
   23    HE2  PHE  -3           HE2      PHE  -3  -8.812  -7.817   3.724
   24    HZ   PHE  -3           HZ       PHE  -3  -9.130  -9.385   1.821
   25    H    LYS  -2           H        LYS  -2 -11.569  -9.989   5.708
   26    HA   LYS  -2           HA       LYS  -2 -13.215 -12.335   5.289
   27   1HB   LYS  -2          2HB       LYS  -2 -14.739 -11.078   6.637
   28   2HB   LYS  -2          3HB       LYS  -2 -14.374  -9.576   5.822
   29   1HG   LYS  -2          2HG       LYS  -2 -16.599 -10.440   5.190
   30   2HG   LYS  -2          3HG       LYS  -2 -15.521 -10.172   3.833
   31   1HD   LYS  -2          2HD       LYS  -2 -15.066 -12.665   3.773
   32   2HD   LYS  -2          3HD       LYS  -2 -16.319 -12.869   5.013
   33   1HE   LYS  -2          2HE       LYS  -2 -18.021 -11.988   3.540
   34   2HE   LYS  -2          3HE       LYS  -2 -16.808 -11.330   2.433
   35   1HZ   LYS  -2          1HZ       LYS  -2 -17.266 -14.232   2.819
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.796 -13.337   1.547
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.194 -13.525   1.776
   38    H    ALA  -1           H        ALA  -1 -12.614 -12.785   3.201
   39    HA   ALA  -1           HA       ALA  -1 -11.614 -10.922   1.318
   40   1HB   ALA  -1          1HB       ALA  -1 -13.040 -13.580   0.851
   41   2HB   ALA  -1          2HB       ALA  -1 -12.021 -12.726  -0.322
   42   3HB   ALA  -1          3HB       ALA  -1 -11.297 -13.365   1.165
   43    H    GLY   1           H        GLY   1 -12.435  -9.743  -0.232
   44   1HA   GLY   1          1HA       GLY   1 -15.378  -9.203  -0.446
   45   2HA   GLY   1          2HA       GLY   1 -14.079  -8.057  -0.789
   46    H    SER   2           H        SER   2 -14.374  -7.595  -2.969
   47    HA   SER   2           HA       SER   2 -13.795  -9.875  -4.813
   48   1HB   SER   2          2HB       SER   2 -16.274  -9.522  -4.837
   49   2HB   SER   2          3HB       SER   2 -15.972  -7.896  -5.483
   50    HG   SER   2           HG       SER   2 -15.504 -10.409  -6.635
   51    H    ALA   3           H        ALA   3 -12.038  -9.418  -5.941
   52    HA   ALA   3           HA       ALA   3 -10.594  -7.139  -5.676
   53   1HB   ALA   3          1HB       ALA   3 -10.512  -9.112  -7.998
   54   2HB   ALA   3          2HB       ALA   3  -9.205  -7.996  -7.558
   55   3HB   ALA   3          3HB       ALA   3  -9.687  -9.275  -6.431
   56    H    LYS   4           H        LYS   4 -12.894  -7.617  -8.386
   57    HA   LYS   4           HA       LYS   4 -12.051  -5.183  -9.704
   58   1HB   LYS   4          2HB       LYS   4 -13.860  -5.442 -11.220
   59   2HB   LYS   4          3HB       LYS   4 -13.143  -7.026 -10.927
   60   1HG   LYS   4          2HG       LYS   4 -15.005  -7.518  -9.298
   61   2HG   LYS   4          3HG       LYS   4 -15.751  -5.972  -9.720
   62   1HD   LYS   4          2HD       LYS   4 -15.182  -8.249 -11.674
   63   2HD   LYS   4          3HD       LYS   4 -16.743  -7.928 -10.905
   64   1HE   LYS   4          2HE       LYS   4 -16.855  -5.705 -11.984
   65   2HE   LYS   4          3HE       LYS   4 -15.282  -5.975 -12.743
   66   1HZ   LYS   4          1HZ       LYS   4 -17.714  -7.602 -13.252
   67   2HZ   LYS   4          2HZ       LYS   4 -17.092  -6.472 -14.265
   68   3HZ   LYS   4          3HZ       LYS   4 -16.251  -7.846 -13.960
   69    H    LYS   5           H        LYS   5 -13.799  -5.473  -6.956
   70    HA   LYS   5           HA       LYS   5 -15.131  -2.795  -7.082
   71   1HB   LYS   5          2HB       LYS   5 -14.698  -4.654  -4.702
   72   2HB   LYS   5          3HB       LYS   5 -15.544  -3.113  -4.675
   73   1HG   LYS   5          2HG       LYS   5 -17.337  -3.938  -6.057
   74   2HG   LYS   5          3HG       LYS   5 -16.437  -5.408  -6.469
   75   1HD   LYS   5          2HD       LYS   5 -18.121  -5.957  -4.800
   76   2HD   LYS   5          3HD       LYS   5 -16.490  -6.151  -4.144
   77   1HE   LYS   5          2HE       LYS   5 -16.819  -3.697  -3.259
   78   2HE   LYS   5          3HE       LYS   5 -18.546  -4.006  -3.501
   79   1HZ   LYS   5          1HZ       LYS   5 -16.670  -5.709  -1.962
   80   2HZ   LYS   5          2HZ       LYS   5 -17.484  -4.590  -1.250
   81   3HZ   LYS   5          3HZ       LYS   5 -18.331  -5.865  -1.947
   82    H    GLY   6           H        GLY   6 -12.469  -4.295  -5.191
   83   1HA   GLY   6          1HA       GLY   6 -11.445  -1.916  -4.043
   84   2HA   GLY   6          2HA       GLY   6 -10.489  -3.354  -4.352
   85    H    ALA   7           H        ALA   7 -10.674  -3.373  -7.210
   86    HA   ALA   7           HA       ALA   7  -8.791  -1.615  -8.237
   87   1HB   ALA   7          1HB       ALA   7 -11.230  -2.712  -9.714
   88   2HB   ALA   7          2HB       ALA   7  -9.683  -2.218 -10.424
   89   3HB   ALA   7          3HB       ALA   7  -9.761  -3.642  -9.373
   90    H    THR   8           H        THR   8 -12.357  -1.077  -8.387
   91    HA   THR   8           HA       THR   8 -12.134   1.482  -9.692
   92    HB   THR   8           HB       THR   8 -14.454   1.888  -9.105
   93    HG1  THR   8           1HG      THR   8 -14.117  -0.342  -7.384
   94   1HG2  THR   8          1HG2      THR   8 -14.040  -1.002  -9.941
   95   2HG2  THR   8          2HG2      THR   8 -15.505  -0.035 -10.168
   96   3HG2  THR   8          3HG2      THR   8 -14.012   0.410 -11.018
   97    H    LEU   9           H        LEU   9 -12.043   0.622  -6.313
   98    HA   LEU   9           HA       LEU   9 -12.358   3.305  -5.245
   99   1HB   LEU   9          2HB       LEU   9 -11.409   0.662  -4.106
  100   2HB   LEU   9          3HB       LEU   9 -11.380   2.143  -3.152
  101    HG   LEU   9           HG       LEU   9 -13.912   1.283  -4.565
  102   1HD1  LEU   9          1HD1      LEU   9 -12.984   0.382  -1.801
  103   2HD1  LEU   9          2HD1      LEU   9 -14.610   0.135  -2.476
  104   3HD1  LEU   9          3HD1      LEU   9 -13.216  -0.658  -3.223
  105   1HD2  LEU   9          1HD2      LEU   9 -13.869   3.553  -3.598
  106   2HD2  LEU   9          2HD2      LEU   9 -14.994   2.512  -2.718
  107   3HD2  LEU   9          3HD2      LEU   9 -13.406   2.880  -2.017
  108    H    PHE  10           H        PHE  10  -9.597   1.078  -5.464
  109    HA   PHE  10           HA       PHE  10  -7.402   2.681  -4.875
  110   1HB   PHE  10          2HB       PHE  10  -7.229   0.308  -5.207
  111   2HB   PHE  10          3HB       PHE  10  -7.765   0.425  -6.873
  112    HD1  PHE  10           HD1      PHE  10  -6.276   1.096  -8.669
  113    HD2  PHE  10           HD2      PHE  10  -4.908   0.923  -4.585
  114    HE1  PHE  10           HE1      PHE  10  -3.926   1.320  -9.440
  115    HE2  PHE  10           HE2      PHE  10  -2.567   1.232  -5.363
  116    HZ   PHE  10           HZ       PHE  10  -2.066   1.463  -7.769
  117    H    LYS  11           H        LYS  11  -8.957   2.355  -8.051
  118    HA   LYS  11           HA       LYS  11  -7.263   4.043  -9.583
  119   1HB   LYS  11          2HB       LYS  11  -8.930   2.380 -10.387
  120   2HB   LYS  11          3HB       LYS  11 -10.234   3.503 -10.015
  121   1HG   LYS  11          2HG       LYS  11  -7.988   4.458 -11.785
  122   2HG   LYS  11          3HG       LYS  11  -9.020   3.212 -12.446
  123   1HD   LYS  11          2HD       LYS  11 -10.148   5.829 -11.367
  124   2HD   LYS  11          3HD       LYS  11  -9.593   5.603 -13.032
  125   1HE   LYS  11          2HE       LYS  11 -11.167   3.659 -13.254
  126   2HE   LYS  11          3HE       LYS  11 -11.801   4.025 -11.641
  127   1HZ   LYS  11          1HZ       LYS  11 -11.853   5.880 -13.964
  128   2HZ   LYS  11          2HZ       LYS  11 -13.146   5.031 -13.402
  129   3HZ   LYS  11          3HZ       LYS  11 -12.469   6.209 -12.476
  130    H    THR  12           H        THR  12  -9.482   5.046  -7.173
  131    HA   THR  12           HA       THR  12  -9.224   7.905  -8.046
  132    HB   THR  12           HB       THR  12 -11.294   8.404  -6.971
  133    HG1  THR  12           1HG      THR  12 -11.429   5.654  -6.303
  134   1HG2  THR  12          1HG2      THR  12 -11.764   5.924  -8.669
  135   2HG2  THR  12          2HG2      THR  12 -12.896   7.251  -8.351
  136   3HG2  THR  12          3HG2      THR  12 -11.429   7.556  -9.303
  137    H    ARG  13           H        ARG  13  -7.917   5.868  -5.811
  138    HA   ARG  13           HA       ARG  13  -7.663   8.087  -3.798
  139   1HB   ARG  13          2HB       ARG  13  -7.906   5.158  -3.068
  140   2HB   ARG  13          3HB       ARG  13  -7.783   6.528  -1.964
  141   1HG   ARG  13          2HG       ARG  13 -10.088   5.895  -3.832
  142   2HG   ARG  13          3HG       ARG  13 -10.085   5.689  -2.095
  143   1HD   ARG  13          2HD       ARG  13 -10.267   7.995  -1.689
  144   2HD   ARG  13          3HD       ARG  13  -9.646   8.453  -3.250
  145    HE   ARG  13           HE       ARG  13 -11.681   7.355  -4.262
  146   1HH1  ARG  13          1HH2      ARG  13 -11.938   9.242  -1.334
  147   2HH1  ARG  13          2HH2      ARG  13 -13.627   9.597  -1.609
  148   1HH2  ARG  13          1HH1      ARG  13 -13.758   7.741  -4.508
  149   2HH2  ARG  13          2HH1      ARG  13 -14.611   8.824  -3.439
  150    H    CYS  14           H        CYS  14  -6.028   5.116  -5.009
  151    HA   CYS  14           HA       CYS  14  -3.517   6.006  -3.669
  152   1HB   CYS  14          2HB       CYS  14  -4.056   3.372  -4.958
  153   2HB   CYS  14          3HB       CYS  14  -2.840   3.726  -3.751
  154    H    LEU  15           H        LEU  15  -4.911   4.973  -6.811
  155    HA   LEU  15           HA       LEU  15  -2.615   4.632  -8.285
  156   1HB   LEU  15          2HB       LEU  15  -4.876   4.027  -9.006
  157   2HB   LEU  15          3HB       LEU  15  -5.285   5.736  -9.191
  158    HG   LEU  15           HG       LEU  15  -3.550   5.937 -10.973
  159   1HD1  LEU  15          1HD1      LEU  15  -3.360   2.906 -10.824
  160   2HD1  LEU  15          2HD1      LEU  15  -2.616   3.957 -12.041
  161   3HD1  LEU  15          3HD1      LEU  15  -2.068   4.046 -10.369
  162   1HD2  LEU  15          1HD2      LEU  15  -5.899   5.514 -11.543
  163   2HD2  LEU  15          2HD2      LEU  15  -4.804   4.757 -12.710
  164   3HD2  LEU  15          3HD2      LEU  15  -5.601   3.754 -11.480
  165    H    GLN  16           H        GLN  16  -4.003   7.717  -7.377
  166    HA   GLN  16           HA       GLN  16  -2.638   9.462  -9.100
  167   1HB   GLN  16          2HB       GLN  16  -2.988  11.178  -7.437
  168   2HB   GLN  16          3HB       GLN  16  -4.428  10.189  -7.649
  169   1HG   GLN  16          2HG       GLN  16  -3.866   8.955  -5.537
  170   2HG   GLN  16          3HG       GLN  16  -2.465  10.009  -5.321
  171   1HE2  GLN  16          2HE2      GLN  16  -4.960   9.692  -3.560
  172   2HE2  GLN  16          1HE2      GLN  16  -5.524  11.382  -3.515
  173    H    CYS  17           H        CYS  17  -1.290   7.682  -6.370
  174    HA   CYS  17           HA       CYS  17   1.323   9.106  -6.693
  175   1HB   CYS  17          2HB       CYS  17   0.087   7.672  -4.335
  176   2HB   CYS  17          3HB       CYS  17   1.739   8.269  -4.372
  177    H    HIS  18           H        HIS  18  -0.141   6.029  -7.164
  178    HA   HIS  18           HA       HIS  18   2.479   4.568  -7.056
  179   1HB   HIS  18          1HB       HIS  18  -0.298   3.906  -5.990
  180   2HB   HIS  18          2HB       HIS  18   0.889   2.649  -6.267
  181    HD1  HIS  18           HD1      HIS  18   3.460   3.572  -5.105
  182    HD2  HIS  18           HD2      HIS  18  -0.277   4.487  -3.434
  183    HE1  HIS  18           HE1      HIS  18   3.880   4.062  -2.635
  184    H    THR  19           H        THR  19   2.336   2.364  -8.038
  185    HA   THR  19           HA       THR  19   0.423   2.087 -10.282
  186    HB   THR  19           HB       THR  19   2.070   1.016 -11.684
  187    HG1  THR  19           1HG      THR  19   3.702   0.290 -10.516
  188   1HG2  THR  19          1HG2      THR  19   3.103   3.753 -10.838
  189   2HG2  THR  19          2HG2      THR  19   3.324   2.967 -12.404
  190   3HG2  THR  19          3HG2      THR  19   1.702   3.485 -11.905
  191    H    VAL  20           H        VAL  20   0.083  -0.131 -10.866
  192    HA   VAL  20           HA       VAL  20   0.175  -1.945  -8.484
  193    HB   VAL  20           HB       VAL  20  -1.882  -0.661  -8.784
  194   1HG1  VAL  20          1HG1      VAL  20  -2.285  -2.206 -11.377
  195   2HG1  VAL  20          2HG1      VAL  20  -3.481  -1.175 -10.588
  196   3HG1  VAL  20          3HG1      VAL  20  -2.008  -0.453 -11.234
  197   1HG2  VAL  20          1HG2      VAL  20  -1.786  -3.045  -7.815
  198   2HG2  VAL  20          2HG2      VAL  20  -3.355  -2.350  -8.218
  199   3HG2  VAL  20          3HG2      VAL  20  -2.608  -3.512  -9.329
  200    H    GLU  21           H        GLU  21   0.754  -1.716 -11.789
  201    HA   GLU  21           HA       GLU  21   1.099  -4.654 -11.958
  202   1HB   GLU  21          2HB       GLU  21   0.038  -2.796 -13.953
  203   2HB   GLU  21          3HB       GLU  21   1.386  -3.614 -14.613
  204   1HG   GLU  21          2HG       GLU  21  -1.030  -5.017 -13.420
  205   2HG   GLU  21          3HG       GLU  21  -0.738  -4.729 -15.141
  206    H    LYS  22           H        LYS  22   2.668  -5.141 -13.580
  207    HA   LYS  22           HA       LYS  22   5.418  -4.633 -12.956
  208   1HB   LYS  22          2HB       LYS  22   3.794  -5.943 -15.183
  209   2HB   LYS  22          3HB       LYS  22   5.533  -5.839 -15.288
  210   1HG   LYS  22          2HG       LYS  22   5.859  -7.110 -13.263
  211   2HG   LYS  22          3HG       LYS  22   4.137  -7.055 -12.897
  212   1HD   LYS  22          2HD       LYS  22   5.317  -8.475 -15.314
  213   2HD   LYS  22          3HD       LYS  22   4.961  -9.267 -13.777
  214   1HE   LYS  22          2HE       LYS  22   2.889  -7.869 -15.531
  215   2HE   LYS  22          3HE       LYS  22   3.175  -9.615 -15.498
  216   1HZ   LYS  22          1HZ       LYS  22   2.285  -7.935 -13.240
  217   2HZ   LYS  22          2HZ       LYS  22   1.320  -8.810 -14.104
  218   3HZ   LYS  22          3HZ       LYS  22   2.477  -9.562 -13.117
  219    H    GLY  23           H        GLY  23   6.961  -3.561 -14.188
  220   1HA   GLY  23          1HA       GLY  23   7.907  -1.967 -15.583
  221   2HA   GLY  23          2HA       GLY  23   6.433  -1.986 -16.546
  222    H    GLY  24           H        GLY  24   4.748  -1.123 -14.176
  223   1HA   GLY  24          1HA       GLY  24   4.620   1.611 -14.499
  224   2HA   GLY  24          2HA       GLY  24   4.094   0.771 -13.044
  225    HA   PRO  25           HA       PRO  25   8.352   2.903 -12.296
  226   1HB   PRO  25          2HB       PRO  25   8.248   5.608 -12.657
  227   2HB   PRO  25          3HB       PRO  25   8.600   4.471 -13.996
  228   1HG   PRO  25          2HG       PRO  25   5.923   5.713 -13.268
  229   2HG   PRO  25          3HG       PRO  25   6.717   5.664 -14.877
  230   1HD   PRO  25          2HD       PRO  25   4.829   3.839 -14.144
  231   2HD   PRO  25          3HD       PRO  25   6.235   3.366 -15.147
  232    H    HIS  26           H        HIS  26   8.972   3.916 -10.372
  233    HA   HIS  26           HA       HIS  26   7.096   4.369  -8.236
  234   1HB   HIS  26          2HB       HIS  26   9.912   5.464  -8.463
  235   2HB   HIS  26          3HB       HIS  26   9.022   5.081  -6.988
  236    HD1  HIS  26           HD1      HIS  26   8.690   2.189  -6.776
  237    HD2  HIS  26           HD2      HIS  26  11.801   3.902  -9.001
  238    HE1  HIS  26           HE1      HIS  26  10.355   0.313  -7.229
  239    H    LYS  27           H        LYS  27   5.606   5.976  -8.543
  240    HA   LYS  27           HA       LYS  27   6.301   8.403 -10.090
  241   1HB   LYS  27          2HB       LYS  27   4.211   7.107 -10.536
  242   2HB   LYS  27          3HB       LYS  27   3.619   7.547  -8.936
  243   1HG   LYS  27          2HG       LYS  27   3.976  10.020  -9.677
  244   2HG   LYS  27          3HG       LYS  27   4.192   9.374 -11.310
  245   1HD   LYS  27          2HD       LYS  27   1.925   8.368 -11.203
  246   2HD   LYS  27          3HD       LYS  27   1.759   8.930  -9.523
  247   1HE   LYS  27          2HE       LYS  27   2.164  11.290 -10.362
  248   2HE   LYS  27          3HE       LYS  27   2.056  10.666 -12.018
  249   1HZ   LYS  27          1HZ       LYS  27  -0.037  10.481  -9.928
  250   2HZ   LYS  27          2HZ       LYS  27  -0.091  11.504 -11.213
  251   3HZ   LYS  27          3HZ       LYS  27  -0.198   9.870 -11.442
  252    H    VAL  28           H        VAL  28   4.298   8.262  -7.169
  253    HA   VAL  28           HA       VAL  28   5.916  10.496  -5.956
  254    HB   VAL  28           HB       VAL  28   3.064   9.724  -5.307
  255   1HG1  VAL  28          1HG1      VAL  28   4.709  12.117  -4.402
  256   2HG1  VAL  28          2HG1      VAL  28   2.987  11.844  -4.051
  257   3HG1  VAL  28          3HG1      VAL  28   4.200  10.751  -3.383
  258   1HG2  VAL  28          1HG2      VAL  28   3.094  10.760  -7.527
  259   2HG2  VAL  28          2HG2      VAL  28   2.406  11.876  -6.349
  260   3HG2  VAL  28          3HG2      VAL  28   4.080  12.104  -6.904
  261    H    GLY  29           H        GLY  29   4.508   7.305  -5.572
  262   1HA   GLY  29          1HA       GLY  29   6.576   6.681  -3.573
  263   2HA   GLY  29          2HA       GLY  29   4.925   6.080  -3.322
  264    HA   PRO  30           HA       PRO  30   7.511   3.419  -6.197
  265   1HB   PRO  30          2HB       PRO  30   7.974   1.167  -4.699
  266   2HB   PRO  30          3HB       PRO  30   8.910   2.679  -4.473
  267   1HG   PRO  30          2HG       PRO  30   6.467   1.751  -2.924
  268   2HG   PRO  30          3HG       PRO  30   8.042   2.319  -2.284
  269   1HD   PRO  30          2HD       PRO  30   5.918   3.987  -2.491
  270   2HD   PRO  30          3HD       PRO  30   7.571   4.563  -2.798
  271    H    ASN  31           H        ASN  31   7.110   1.275  -7.265
  272    HA   ASN  31           HA       ASN  31   4.414   0.734  -7.874
  273   1HB   ASN  31          2HB       ASN  31   6.607   0.260  -9.166
  274   2HB   ASN  31          3HB       ASN  31   6.805  -1.147  -8.112
  275   1HD2  ASN  31          2HD2      ASN  31   6.029  -0.581 -11.171
  276   2HD2  ASN  31          1HD2      ASN  31   4.691  -1.761 -11.297
  277    H    LEU  32           H        LEU  32   3.004  -0.857  -7.200
  278    HA   LEU  32           HA       LEU  32   3.506  -2.166  -4.576
  279   1HB   LEU  32          2HB       LEU  32   0.899  -1.552  -5.994
  280   2HB   LEU  32          3HB       LEU  32   1.065  -2.219  -4.377
  281    HG   LEU  32           HG       LEU  32   2.048   0.570  -5.181
  282   1HD1  LEU  32          1HD1      LEU  32  -0.451  -0.284  -3.657
  283   2HD1  LEU  32          2HD1      LEU  32   0.092   1.384  -3.924
  284   3HD1  LEU  32          3HD1      LEU  32  -0.401   0.387  -5.307
  285   1HD2  LEU  32          1HD2      LEU  32   3.249  -0.335  -3.231
  286   2HD2  LEU  32          2HD2      LEU  32   2.163   0.974  -2.756
  287   3HD2  LEU  32          3HD2      LEU  32   1.704  -0.714  -2.436
  288    H    HIS  33           H        HIS  33   3.685  -3.139  -7.770
  289    HA   HIS  33           HA       HIS  33   2.418  -5.792  -7.558
  290   1HB   HIS  33          2HB       HIS  33   2.770  -4.414  -9.667
  291   2HB   HIS  33          3HB       HIS  33   4.476  -4.829  -9.583
  292    HD1  HIS  33           HD1      HIS  33   1.000  -6.475  -9.961
  293    HD2  HIS  33           HD2      HIS  33   5.101  -7.424 -10.196
  294    HE1  HIS  33           HE1      HIS  33   1.127  -8.793 -10.917
  295    H    GLY  34           H        GLY  34   3.268  -6.791  -5.738
  296   1HA   GLY  34          1HA       GLY  34   4.783  -8.726  -5.479
  297   2HA   GLY  34          2HA       GLY  34   6.122  -7.703  -5.931
  298    H    ILE  35           H        ILE  35   4.153  -5.894  -3.737
  299    HA   ILE  35           HA       ILE  35   6.332  -5.956  -1.938
  300    HB   ILE  35           HB       ILE  35   5.223  -4.351  -0.650
  301   1HG1  ILE  35          2HG1      ILE  35   2.983  -5.318  -0.418
  302   2HG1  ILE  35          3HG1      ILE  35   3.043  -3.600  -0.723
  303   1HG2  ILE  35          1HG2      ILE  35   4.554  -3.849  -3.575
  304   2HG2  ILE  35          2HG2      ILE  35   4.818  -2.618  -2.321
  305   3HG2  ILE  35          3HG2      ILE  35   6.143  -3.671  -2.855
  306   1HD1  ILE  35          1HD1      ILE  35   2.346  -5.613  -2.876
  307   2HD1  ILE  35          2HD1      ILE  35   1.178  -4.705  -1.911
  308   3HD1  ILE  35          3HD1      ILE  35   2.273  -3.824  -2.952
  309    H    PHE  36           H        PHE  36   3.413  -7.843  -1.810
  310    HA   PHE  36           HA       PHE  36   3.302  -8.400   0.979
  311   1HB   PHE  36          2HB       PHE  36   2.220  -9.800  -1.488
  312   2HB   PHE  36          3HB       PHE  36   1.938 -10.374   0.146
  313    HD1  PHE  36           HD1      PHE  36   0.550  -9.127   1.745
  314    HD2  PHE  36           HD2      PHE  36   1.058  -7.723  -2.295
  315    HE1  PHE  36           HE1      PHE  36  -1.388  -7.601   2.019
  316    HE2  PHE  36           HE2      PHE  36  -0.904  -6.250  -2.042
  317    HZ   PHE  36           HZ       PHE  36  -2.126  -6.168   0.144
  318    H    GLY  37           H        GLY  37   4.324  -9.759   2.141
  319   1HA   GLY  37          1HA       GLY  37   5.883 -11.405   2.860
  320   2HA   GLY  37          2HA       GLY  37   5.981 -12.006   1.205
  321    H    ARG  38           H        ARG  38   6.588  -8.692   1.133
  322    HA   ARG  38           HA       ARG  38   9.542  -8.981   1.518
  323   1HB   ARG  38          2HB       ARG  38   8.081  -7.781  -0.613
  324   2HB   ARG  38          3HB       ARG  38   8.606  -6.434   0.362
  325   1HG   ARG  38          2HG       ARG  38  10.323  -6.796  -1.262
  326   2HG   ARG  38          3HG       ARG  38  10.972  -7.449   0.255
  327   1HD   ARG  38          2HD       ARG  38  10.041  -9.714  -0.496
  328   2HD   ARG  38          3HD       ARG  38   9.695  -8.971  -2.064
  329    HE   ARG  38           HE       ARG  38  12.333  -8.390  -1.769
  330   1HH1  ARG  38          1HH2      ARG  38  10.603 -11.392  -1.397
  331   2HH1  ARG  38          2HH2      ARG  38  11.964 -12.393  -1.819
  332   1HH2  ARG  38          1HH1      ARG  38  14.100  -9.733  -2.314
  333   2HH2  ARG  38          2HH1      ARG  38  13.895 -11.459  -2.318
  334    H    HIS  39           H        HIS  39  10.509  -6.830   2.203
  335    HA   HIS  39           HA       HIS  39   9.205  -6.029   4.766
  336   1HB   HIS  39          2HB       HIS  39  12.143  -6.126   4.013
  337   2HB   HIS  39          3HB       HIS  39  11.505  -5.471   5.526
  338    HD1  HIS  39           HD1      HIS  39  12.871  -8.626   4.335
  339    HD2  HIS  39           HD2      HIS  39   9.741  -7.378   6.850
  340    HE1  HIS  39           HE1      HIS  39  12.186 -10.675   5.722
  341    H    SER  40           H        SER  40   8.633  -3.967   5.017
  342    HA   SER  40           HA       SER  40   8.322  -2.184   3.059
  343   1HB   SER  40          2HB       SER  40   7.944  -0.440   4.746
  344   2HB   SER  40          3HB       SER  40   7.272  -2.000   5.243
  345    HG   SER  40           HG       SER  40   9.641  -0.729   6.152
  346    H    GLY  41           H        GLY  41   9.363  -0.778   1.870
  347   1HA   GLY  41          1HA       GLY  41  11.010   0.963   1.403
  348   2HA   GLY  41          2HA       GLY  41  12.023   0.360   2.711
  349    H    GLN  42           H        GLN  42  10.637  -0.788  -0.364
  350    HA   GLN  42           HA       GLN  42  12.727  -2.861  -0.571
  351   1HB   GLN  42          2HB       GLN  42  10.206  -2.297  -2.177
  352   2HB   GLN  42          3HB       GLN  42  11.172  -3.771  -2.289
  353   1HG   GLN  42          2HG       GLN  42  10.523  -4.486  -0.098
  354   2HG   GLN  42          3HG       GLN  42   9.892  -2.896   0.340
  355   1HE2  GLN  42          2HE2      GLN  42   7.720  -2.525   0.063
  356   2HE2  GLN  42          1HE2      GLN  42   6.785  -3.607  -1.000
  357    H    ALA  43           H        ALA  43  11.757  -0.014  -2.432
  358    HA   ALA  43           HA       ALA  43  13.121  -0.816  -4.866
  359   1HB   ALA  43          1HB       ALA  43  11.812   1.803  -4.035
  360   2HB   ALA  43          2HB       ALA  43  12.383   1.398  -5.658
  361   3HB   ALA  43          3HB       ALA  43  11.052   0.469  -4.919
  362    H    GLU  44           H        GLU  44  15.259  -1.144  -4.214
  363    HA   GLU  44           HA       GLU  44  17.124   0.338  -2.947
  364   1HB   GLU  44          2HB       GLU  44  17.344  -1.880  -4.054
  365   2HB   GLU  44          3HB       GLU  44  17.503  -1.072  -5.617
  366   1HG   GLU  44          2HG       GLU  44  19.610  -0.017  -4.869
  367   2HG   GLU  44          3HG       GLU  44  19.415  -0.740  -3.266
  368    H    GLY  45           H        GLY  45  15.916   1.231  -6.119
  369   1HA   GLY  45          1HA       GLY  45  17.893   3.424  -6.453
  370   2HA   GLY  45          2HA       GLY  45  16.749   2.863  -7.658
  371    H    TYR  46           H        TYR  46  15.273   3.463  -4.564
  372    HA   TYR  46           HA       TYR  46  14.396   6.205  -5.385
  373   1HB   TYR  46          2HB       TYR  46  12.914   4.375  -6.263
  374   2HB   TYR  46          3HB       TYR  46  12.480   4.015  -4.601
  375    HD1  TYR  46           HD1      TYR  46  12.097   6.312  -7.427
  376    HD2  TYR  46           HD2      TYR  46  11.369   5.830  -3.220
  377    HE1  TYR  46           HE1      TYR  46  10.202   7.923  -7.592
  378    HE2  TYR  46           HE2      TYR  46   9.405   7.415  -3.383
  379    HH   TYR  46           HH       TYR  46   8.414   8.814  -6.534
  380    H    SER  47           H        SER  47  14.475   7.646  -3.746
  381    HA   SER  47           HA       SER  47  15.426   6.656  -1.183
  382   1HB   SER  47          2HB       SER  47  15.687   9.122  -0.689
  383   2HB   SER  47          3HB       SER  47  16.614   8.453  -2.041
  384    HG   SER  47           HG       SER  47  15.665  10.404  -2.642
  385    H    TYR  48           H        TYR  48  13.629   5.577  -0.319
  386    HA   TYR  48           HA       TYR  48  11.206   6.722   0.593
  387   1HB   TYR  48          2HB       TYR  48  13.016   4.656   1.916
  388   2HB   TYR  48          3HB       TYR  48  11.383   4.991   2.439
  389    HD1  TYR  48           HD1      TYR  48   9.480   4.067   1.384
  390    HD2  TYR  48           HD2      TYR  48  13.409   3.593  -0.347
  391    HE1  TYR  48           HE1      TYR  48   8.630   2.246  -0.078
  392    HE2  TYR  48           HE2      TYR  48  12.529   1.903  -1.890
  393    HH   TYR  48           HH       TYR  48   9.344   0.474  -1.426
  394    H    THR  49           H        THR  49  10.725   6.990   2.990
  395    HA   THR  49           HA       THR  49  12.546   8.766   4.491
  396    HB   THR  49           HB       THR  49  10.931   8.632   6.301
  397    HG1  THR  49           1HG      THR  49   9.486   6.868   4.599
  398   1HG2  THR  49          1HG2      THR  49   9.490   9.037   3.665
  399   2HG2  THR  49          2HG2      THR  49   9.058   9.725   5.239
  400   3HG2  THR  49          3HG2      THR  49  10.551  10.238   4.444
  401    H    ASP  50           H        ASP  50  13.890   8.192   6.112
  402    HA   ASP  50           HA       ASP  50  14.824   5.582   6.602
  403   1HB   ASP  50          2HB       ASP  50  15.941   7.709   7.211
  404   2HB   ASP  50          3HB       ASP  50  14.730   7.979   8.473
  405    H    ALA  51           H        ALA  51  12.078   7.256   8.052
  406    HA   ALA  51           HA       ALA  51  11.453   5.450  10.157
  407   1HB   ALA  51          1HB       ALA  51   9.614   7.274   8.538
  408   2HB   ALA  51          2HB       ALA  51   9.293   6.601  10.156
  409   3HB   ALA  51          3HB       ALA  51  10.594   7.773   9.937
  410    H    ASN  52           H        ASN  52  10.510   5.334   6.678
  411    HA   ASN  52           HA       ASN  52   8.778   3.002   7.011
  412   1HB   ASN  52          2HB       ASN  52   8.576   4.704   5.186
  413   2HB   ASN  52          3HB       ASN  52  10.111   4.159   4.513
  414   1HD2  ASN  52          2HD2      ASN  52  10.107   2.105   3.316
  415   2HD2  ASN  52          1HD2      ASN  52   8.555   1.305   3.058
  416    H    ILE  53           H        ILE  53  12.183   3.527   6.244
  417    HA   ILE  53           HA       ILE  53  12.797   0.783   5.543
  418    HB   ILE  53           HB       ILE  53  14.533   3.089   6.435
  419   1HG1  ILE  53          2HG1      ILE  53  14.165   1.962   3.612
  420   2HG1  ILE  53          3HG1      ILE  53  13.246   3.328   4.221
  421   1HG2  ILE  53          1HG2      ILE  53  15.406   0.438   5.186
  422   2HG2  ILE  53          2HG2      ILE  53  16.479   1.821   5.489
  423   3HG2  ILE  53          3HG2      ILE  53  15.754   0.976   6.842
  424   1HD1  ILE  53          1HD1      ILE  53  16.259   3.273   3.828
  425   2HD1  ILE  53          2HD1      ILE  53  15.064   4.168   2.890
  426   3HD1  ILE  53          3HD1      ILE  53  15.353   4.607   4.583
  427    H    LYS  54           H        LYS  54  13.707   2.637   8.478
  428    HA   LYS  54           HA       LYS  54  14.510   0.400  10.061
  429   1HB   LYS  54          2HB       LYS  54  13.430   3.158  10.822
  430   2HB   LYS  54          3HB       LYS  54  14.033   1.983  11.992
  431   1HG   LYS  54          2HG       LYS  54  16.205   1.905  10.687
  432   2HG   LYS  54          3HG       LYS  54  15.631   3.312   9.773
  433   1HD   LYS  54          2HD       LYS  54  15.493   4.649  11.820
  434   2HD   LYS  54          3HD       LYS  54  15.777   3.220  12.823
  435   1HE   LYS  54          2HE       LYS  54  17.830   4.373  12.799
  436   2HE   LYS  54          3HE       LYS  54  18.039   2.958  11.749
  437   1HZ   LYS  54          1HZ       LYS  54  17.390   5.694  10.783
  438   2HZ   LYS  54          2HZ       LYS  54  18.908   5.041  10.705
  439   3HZ   LYS  54          3HZ       LYS  54  17.608   4.503   9.826
  440    H    LYS  55           H        LYS  55  11.454   0.873   8.951
  441    HA   LYS  55           HA       LYS  55  10.119  -0.347  11.345
  442   1HB   LYS  55          2HB       LYS  55   8.918   1.318   9.735
  443   2HB   LYS  55          3HB       LYS  55   8.827  -0.037   8.615
  444   1HG   LYS  55          2HG       LYS  55   6.771  -0.092   9.764
  445   2HG   LYS  55          3HG       LYS  55   7.695  -1.357  10.551
  446   1HD   LYS  55          2HD       LYS  55   8.249   0.216  12.418
  447   2HD   LYS  55          3HD       LYS  55   7.368   1.501  11.579
  448   1HE   LYS  55          2HE       LYS  55   5.353  -0.150  11.612
  449   2HE   LYS  55          3HE       LYS  55   6.277  -1.061  12.804
  450   1HZ   LYS  55          1HZ       LYS  55   5.286   1.733  13.014
  451   2HZ   LYS  55          2HZ       LYS  55   4.846   0.458  13.938
  452   3HZ   LYS  55          3HZ       LYS  55   6.364   1.097  14.085
  453    H    ASN  56           H        ASN  56  11.435  -1.283   8.223
  454    HA   ASN  56           HA       ASN  56  11.196  -3.197   6.953
  455   1HB   ASN  56          2HB       ASN  56  12.529  -4.030   9.550
  456   2HB   ASN  56          3HB       ASN  56  12.473  -5.079   8.145
  457   1HD2  ASN  56          2HD2      ASN  56  13.074  -3.547   5.937
  458   2HD2  ASN  56          1HD2      ASN  56  14.645  -2.838   6.303
  459    H    VAL  57           H        VAL  57   8.686  -2.741   7.717
  460    HA   VAL  57           HA       VAL  57   7.496  -4.998   9.095
  461    HB   VAL  57           HB       VAL  57   6.579  -2.448   8.244
  462   1HG1  VAL  57          1HG1      VAL  57   4.703  -4.587   7.163
  463   2HG1  VAL  57          2HG1      VAL  57   4.348  -2.862   7.372
  464   3HG1  VAL  57          3HG1      VAL  57   5.565  -3.358   6.206
  465   1HG2  VAL  57          1HG2      VAL  57   6.200  -3.404  10.421
  466   2HG2  VAL  57          2HG2      VAL  57   4.612  -3.134   9.667
  467   3HG2  VAL  57          3HG2      VAL  57   5.296  -4.763   9.727
  468    H    LEU  58           H        LEU  58   7.140  -6.938   8.416
  469    HA   LEU  58           HA       LEU  58   7.362  -7.682   5.615
  470   1HB   LEU  58          2HB       LEU  58   7.966  -9.248   7.407
  471   2HB   LEU  58          3HB       LEU  58   6.281  -9.359   7.913
  472    HG   LEU  58           HG       LEU  58   6.855  -9.830   4.986
  473   1HD1  LEU  58          1HD1      LEU  58   7.572 -11.898   7.090
  474   2HD1  LEU  58          2HD1      LEU  58   7.531 -12.145   5.326
  475   3HD1  LEU  58          3HD1      LEU  58   8.712 -11.035   6.034
  476   1HD2  LEU  58          1HD2      LEU  58   4.539 -10.092   5.866
  477   2HD2  LEU  58          2HD2      LEU  58   5.177 -11.605   5.237
  478   3HD2  LEU  58          3HD2      LEU  58   5.116 -11.335   6.991
  479    H    TRP  59           H        TRP  59   5.913  -6.892   4.262
  480    HA   TRP  59           HA       TRP  59   3.248  -6.139   4.918
  481   1HB   TRP  59          2HB       TRP  59   4.499  -6.815   2.267
  482   2HB   TRP  59          3HB       TRP  59   2.913  -6.080   2.433
  483    HD1  TRP  59           HD1      TRP  59   6.233  -5.042   1.590
  484    HE1  TRP  59           HE1      TRP  59   6.574  -2.497   1.981
  485    HE3  TRP  59           HE3      TRP  59   2.301  -4.094   4.755
  486    HZ2  TRP  59           HZ2      TRP  59   5.587  -0.506   3.727
  487    HZ3  TRP  59           HZ3      TRP  59   2.083  -1.888   5.834
  488    HH2  TRP  59           HH2      TRP  59   3.718  -0.065   5.324
  489    H    ASP  60           H        ASP  60   1.523  -7.216   5.293
  490    HA   ASP  60           HA       ASP  60   0.826  -9.823   4.077
  491   1HB   ASP  60          2HB       ASP  60   1.511 -10.671   6.134
  492   2HB   ASP  60          3HB       ASP  60   1.179  -9.168   6.979
  493    H    GLU  61           H        GLU  61  -1.614 -10.162   4.692
  494    HA   GLU  61           HA       GLU  61  -3.168  -8.060   3.417
  495   1HB   GLU  61          2HB       GLU  61  -3.961 -10.565   4.960
  496   2HB   GLU  61          3HB       GLU  61  -5.144  -9.412   4.328
  497   1HG   GLU  61          2HG       GLU  61  -4.085  -9.670   2.046
  498   2HG   GLU  61          3HG       GLU  61  -3.114 -10.975   2.699
  499    H    ASN  62           H        ASN  62  -3.039  -9.073   6.890
  500    HA   ASN  62           HA       ASN  62  -4.625  -6.670   7.588
  501   1HB   ASN  62          2HB       ASN  62  -3.831  -9.208   9.000
  502   2HB   ASN  62          3HB       ASN  62  -4.138  -7.765   9.969
  503   1HD2  ASN  62          2HD2      ASN  62  -5.716 -10.226   9.965
  504   2HD2  ASN  62          1HD2      ASN  62  -7.342  -9.565   9.612
  505    H    ASN  63           H        ASN  63  -1.278  -7.824   7.963
  506    HA   ASN  63           HA       ASN  63  -0.494  -5.631   9.652
  507   1HB   ASN  63          2HB       ASN  63   0.717  -7.856   9.162
  508   2HB   ASN  63          3HB       ASN  63   1.349  -7.058   7.711
  509   1HD2  ASN  63          2HD2      ASN  63   3.552  -7.036   8.373
  510   2HD2  ASN  63          1HD2      ASN  63   3.980  -6.117   9.831
  511    H    MET  64           H        MET  64  -0.759  -5.797   6.111
  512    HA   MET  64           HA       MET  64   0.170  -3.038   5.714
  513   1HB   MET  64          2HB       MET  64   0.165  -4.827   3.918
  514   2HB   MET  64          3HB       MET  64  -1.596  -4.716   3.906
  515   1HG   MET  64          2HG       MET  64  -1.396  -2.280   3.374
  516   2HG   MET  64          3HG       MET  64   0.355  -2.458   3.300
  517   1HE   MET  64          1HE       MET  64   0.635  -5.323   1.840
  518   2HE   MET  64          2HE       MET  64   0.787  -4.775   0.178
  519   3HE   MET  64          3HE       MET  64   1.615  -3.880   1.475
  520    H    SER  65           H        SER  65  -3.003  -4.657   6.288
  521    HA   SER  65           HA       SER  65  -4.586  -2.399   5.726
  522   1HB   SER  65          2HB       SER  65  -6.399  -3.470   6.511
  523   2HB   SER  65          3HB       SER  65  -5.339  -4.840   6.172
  524    HG   SER  65           HG       SER  65  -6.064  -5.274   8.167
  525    H    GLU  66           H        GLU  66  -2.957  -3.179   8.813
  526    HA   GLU  66           HA       GLU  66  -3.925  -0.942  10.264
  527   1HB   GLU  66          2HB       GLU  66  -2.692  -2.928  11.182
  528   2HB   GLU  66          3HB       GLU  66  -1.208  -2.263  10.509
  529   1HG   GLU  66          2HG       GLU  66  -1.225  -1.664  12.792
  530   2HG   GLU  66          3HG       GLU  66  -1.578  -0.182  11.921
  531    H    TYR  67           H        TYR  67  -1.045  -1.163   8.144
  532    HA   TYR  67           HA       TYR  67  -0.216   1.581   8.541
  533   1HB   TYR  67          2HB       TYR  67   1.345  -0.093   7.656
  534   2HB   TYR  67          3HB       TYR  67   0.332  -0.309   6.233
  535    HD1  TYR  67           HD1      TYR  67   1.119   0.756   4.269
  536    HD2  TYR  67           HD2      TYR  67   1.811   2.567   8.089
  537    HE1  TYR  67           HE1      TYR  67   2.387   2.582   3.167
  538    HE2  TYR  67           HE2      TYR  67   3.002   4.496   6.966
  539    HH   TYR  67           HH       TYR  67   3.756   4.338   3.526
  540    H    LEU  68           H        LEU  68  -2.452   0.048   6.216
  541    HA   LEU  68           HA       LEU  68  -3.000   2.573   4.818
  542   1HB   LEU  68          2HB       LEU  68  -4.488  -0.082   4.882
  543   2HB   LEU  68          3HB       LEU  68  -4.839   1.253   3.785
  544    HG   LEU  68           HG       LEU  68  -2.196  -0.275   3.855
  545   1HD1  LEU  68          1HD1      LEU  68  -4.527  -0.397   1.904
  546   2HD1  LEU  68          2HD1      LEU  68  -2.970  -1.234   1.719
  547   3HD1  LEU  68          3HD1      LEU  68  -4.048  -1.665   3.057
  548   1HD2  LEU  68          1HD2      LEU  68  -1.813   1.967   3.061
  549   2HD2  LEU  68          2HD2      LEU  68  -1.739   0.834   1.718
  550   3HD2  LEU  68          3HD2      LEU  68  -3.190   1.846   1.938
  551    H    THR  69           H        THR  69  -4.213   1.023   7.644
  552    HA   THR  69           HA       THR  69  -6.653   2.461   8.064
  553    HB   THR  69           HB       THR  69  -4.853   0.813   9.739
  554    HG1  THR  69           1HG      THR  69  -6.098  -0.349   8.623
  555   1HG2  THR  69          1HG2      THR  69  -7.015   2.553  10.888
  556   2HG2  THR  69          2HG2      THR  69  -6.700   0.907  11.532
  557   3HG2  THR  69          3HG2      THR  69  -5.428   2.111  11.530
  558    H    ASN  70           H        ASN  70  -3.460   2.866   9.648
  559    HA   ASN  70           HA       ASN  70  -4.034   5.782   9.866
  560   1HB   ASN  70          2HB       ASN  70  -4.888   4.455  11.886
  561   2HB   ASN  70          3HB       ASN  70  -3.206   4.176  12.314
  562   1HD2  ASN  70          2HD2      ASN  70  -2.025   6.578  11.866
  563   2HD2  ASN  70          1HD2      ASN  70  -2.900   7.892  12.710
  564    HA   PRO  71           HA       PRO  71   0.258   4.474   8.397
  565   1HB   PRO  71          2HB       PRO  71   0.498   6.549   6.504
  566   2HB   PRO  71          3HB       PRO  71  -0.048   4.896   6.169
  567   1HG   PRO  71          2HG       PRO  71  -1.698   7.371   6.629
  568   2HG   PRO  71          3HG       PRO  71  -2.002   6.021   5.493
  569   1HD   PRO  71          2HD       PRO  71  -3.329   6.278   7.870
  570   2HD   PRO  71          3HD       PRO  71  -2.942   4.692   7.195
  571    H    LYS  72           H        LYS  72  -0.983   7.680   8.811
  572    HA   LYS  72           HA       LYS  72   1.357   9.099   9.580
  573   1HB   LYS  72          2HB       LYS  72  -1.217   9.681   8.761
  574   2HB   LYS  72          3HB       LYS  72  -1.339  10.108  10.459
  575   1HG   LYS  72          2HG       LYS  72   0.438  11.740  10.246
  576   2HG   LYS  72          3HG       LYS  72   0.880  11.156   8.635
  577   1HD   LYS  72          2HD       LYS  72  -1.825  12.407   9.293
  578   2HD   LYS  72          3HD       LYS  72  -0.438  13.306   8.656
  579   1HE   LYS  72          2HE       LYS  72  -0.382  11.832   6.653
  580   2HE   LYS  72          3HE       LYS  72  -1.775  10.939   7.256
  581   1HZ   LYS  72          1HZ       LYS  72  -1.813  13.822   6.559
  582   2HZ   LYS  72          2HZ       LYS  72  -2.354  12.610   5.613
  583   3HZ   LYS  72          3HZ       LYS  72  -3.120  12.928   7.039
  584    H    LYS  73           H        LYS  73   0.224   6.734  11.325
  585    HA   LYS  73           HA       LYS  73   1.636   7.778  13.677
  586   1HB   LYS  73          2HB       LYS  73  -0.955   6.196  13.991
  587   2HB   LYS  73          3HB       LYS  73   0.263   6.369  15.248
  588   1HG   LYS  73          2HG       LYS  73   0.017   8.837  15.197
  589   2HG   LYS  73          3HG       LYS  73  -1.289   8.678  14.007
  590   1HD   LYS  73          2HD       LYS  73  -2.620   7.354  15.605
  591   2HD   LYS  73          3HD       LYS  73  -1.289   7.393  16.779
  592   1HE   LYS  73          2HE       LYS  73  -1.442   9.890  16.840
  593   2HE   LYS  73          3HE       LYS  73  -2.822   9.818  15.736
  594   1HZ   LYS  73          1HZ       LYS  73  -2.727   8.609  18.449
  595   2HZ   LYS  73          2HZ       LYS  73  -3.552   9.968  18.039
  596   3HZ   LYS  73          3HZ       LYS  73  -4.007   8.514  17.421
  597    H    TYR  74           H        TYR  74   0.492   4.922  11.847
  598    HA   TYR  74           HA       TYR  74   2.092   3.005  13.118
  599   1HB   TYR  74          2HB       TYR  74   0.276   2.723  11.333
  600   2HB   TYR  74          3HB       TYR  74   1.508   3.075  10.143
  601    HD1  TYR  74           HD1      TYR  74   0.415   0.749  12.812
  602    HD2  TYR  74           HD2      TYR  74   3.256   1.373   9.612
  603    HE1  TYR  74           HE1      TYR  74   1.276  -1.554  13.131
  604    HE2  TYR  74           HE2      TYR  74   4.100  -0.942   9.929
  605    HH   TYR  74           HH       TYR  74   2.648  -3.236  12.077
  606    H    ILE  75           H        ILE  75   2.951   5.175  10.452
  607    HA   ILE  75           HA       ILE  75   5.855   4.763  11.051
  608    HB   ILE  75           HB       ILE  75   4.725   5.751   8.431
  609   1HG1  ILE  75          2HG1      ILE  75   4.245   3.367   8.614
  610   2HG1  ILE  75          3HG1      ILE  75   5.444   3.716   7.379
  611   1HG2  ILE  75          1HG2      ILE  75   7.555   5.139   9.400
  612   2HG2  ILE  75          2HG2      ILE  75   7.139   5.435   7.705
  613   3HG2  ILE  75          3HG2      ILE  75   6.916   6.714   8.903
  614   1HD1  ILE  75          1HD1      ILE  75   5.991   2.548  10.129
  615   2HD1  ILE  75          2HD1      ILE  75   5.996   1.689   8.576
  616   3HD1  ILE  75          3HD1      ILE  75   7.237   2.905   8.904
  617    HA   PRO  76           HA       PRO  76   4.930   9.086  12.371
  618   1HB   PRO  76          2HB       PRO  76   6.819   9.290  14.323
  619   2HB   PRO  76          3HB       PRO  76   5.249   8.469  14.574
  620   1HG   PRO  76          2HG       PRO  76   7.928   7.202  13.934
  621   2HG   PRO  76          3HG       PRO  76   6.738   6.717  15.180
  622   1HD   PRO  76          2HD       PRO  76   6.915   5.532  12.709
  623   2HD   PRO  76          3HD       PRO  76   5.364   5.677  13.587
  624    H    GLY  77           H        GLY  77   5.600   9.737  10.316
  625   1HA   GLY  77          1HA       GLY  77   7.308  11.565   9.729
  626   2HA   GLY  77          2HA       GLY  77   8.524  10.314   9.895
  627    H    THR  78           H        THR  78   5.866   8.862   8.389
  628    HA   THR  78           HA       THR  78   7.255   8.469   5.942
  629    HB   THR  78           HB       THR  78   5.651   6.877   6.717
  630    HG1  THR  78           1HG      THR  78   4.720   6.448   4.815
  631   1HG2  THR  78          1HG2      THR  78   3.415   8.848   6.081
  632   2HG2  THR  78          2HG2      THR  78   3.237   7.159   6.588
  633   3HG2  THR  78          3HG2      THR  78   3.901   8.349   7.714
  634    H    LYS  79           H        LYS  79   7.096   9.217   3.895
  635    HA   LYS  79           HA       LYS  79   5.939  11.826   3.220
  636   1HB   LYS  79          2HB       LYS  79   7.025   9.550   1.532
  637   2HB   LYS  79          3HB       LYS  79   6.387  11.037   0.837
  638   1HG   LYS  79          2HG       LYS  79   8.147  12.363   1.903
  639   2HG   LYS  79          3HG       LYS  79   8.814  10.888   2.630
  640   1HD   LYS  79          2HD       LYS  79   8.855   9.914   0.234
  641   2HD   LYS  79          3HD       LYS  79   8.550  11.551  -0.339
  642   1HE   LYS  79          2HE       LYS  79  10.648  12.332   0.535
  643   2HE   LYS  79          3HE       LYS  79  10.863  10.865   1.515
  644   1HZ   LYS  79          1HZ       LYS  79  10.770  10.758  -1.447
  645   2HZ   LYS  79          2HZ       LYS  79  12.181  10.818  -0.579
  646   3HZ   LYS  79          3HZ       LYS  79  11.210   9.573  -0.409
  647    H    MET  80           H        MET  80   4.468   8.711   3.533
  648    HA   MET  80           HA       MET  80   2.497   9.031   1.451
  649   1HB   MET  80          2HB       MET  80   3.195   6.850   2.241
  650   2HB   MET  80          3HB       MET  80   2.566   7.187   3.865
  651   1HG   MET  80          2HG       MET  80   0.376   7.060   3.215
  652   2HG   MET  80          3HG       MET  80   0.701   7.525   1.546
  653   1HE   MET  80          1HE       MET  80  -1.407   5.581   1.627
  654   2HE   MET  80          2HE       MET  80  -1.066   3.866   1.948
  655   3HE   MET  80          3HE       MET  80  -0.983   5.046   3.272
  656    H    ALA  81           H        ALA  81   2.002  11.246   1.912
  657    HA   ALA  81           HA       ALA  81   0.752  12.122   4.228
  658   1HB   ALA  81          1HB       ALA  81   0.482  13.226   1.396
  659   2HB   ALA  81          2HB       ALA  81   0.172  14.140   2.886
  660   3HB   ALA  81          3HB       ALA  81   1.815  13.580   2.519
  661    H    PHE  82           H        PHE  82  -0.545  10.219   2.108
  662    HA   PHE  82           HA       PHE  82  -3.082  10.580   1.319
  663   1HB   PHE  82          2HB       PHE  82  -2.033   8.482   0.916
  664   2HB   PHE  82          3HB       PHE  82  -1.952   8.102   2.629
  665    HD1  PHE  82           HD1      PHE  82  -3.247   6.199   3.066
  666    HD2  PHE  82           HD2      PHE  82  -4.834   9.231   0.424
  667    HE1  PHE  82           HE1      PHE  82  -5.398   4.994   2.966
  668    HE2  PHE  82           HE2      PHE  82  -6.995   8.041   0.377
  669    HZ   PHE  82           HZ       PHE  82  -7.294   5.933   1.661
  670    H    GLY  83           H        GLY  83  -2.781   9.126   4.598
  671   1HA   GLY  83          1HA       GLY  83  -4.059  10.473   6.398
  672   2HA   GLY  83          2HA       GLY  83  -5.428  10.412   5.286
  673    H    GLY  84           H        GLY  84  -6.086   8.132   4.560
  674   1HA   GLY  84          1HA       GLY  84  -5.296   5.732   5.340
  675   2HA   GLY  84          2HA       GLY  84  -6.108   6.238   6.822
  676    H    LEU  85           H        LEU  85  -6.953   4.025   5.510
  677    HA   LEU  85           HA       LEU  85  -9.663   4.751   4.476
  678   1HB   LEU  85          2HB       LEU  85  -8.062   2.151   4.435
  679   2HB   LEU  85          3HB       LEU  85  -9.759   2.262   4.001
  680    HG   LEU  85           HG       LEU  85  -7.475   3.688   2.572
  681   1HD1  LEU  85          1HD1      LEU  85  -9.238   1.376   1.666
  682   2HD1  LEU  85          2HD1      LEU  85  -7.957   2.186   0.736
  683   3HD1  LEU  85          3HD1      LEU  85  -7.539   1.249   2.179
  684   1HD2  LEU  85          1HD2      LEU  85  -9.492   5.044   2.328
  685   2HD2  LEU  85          2HD2      LEU  85  -9.210   4.174   0.823
  686   3HD2  LEU  85          3HD2      LEU  85 -10.463   3.597   1.946
  687    H    LYS  86           H        LYS  86 -11.362   4.410   5.709
  688    HA   LYS  86           HA       LYS  86 -10.983   3.350   8.477
  689   1HB   LYS  86          2HB       LYS  86 -11.090   6.001   7.708
  690   2HB   LYS  86          3HB       LYS  86 -12.753   5.705   8.181
  691   1HG   LYS  86          2HG       LYS  86 -10.253   5.204   9.875
  692   2HG   LYS  86          3HG       LYS  86 -11.349   6.581  10.019
  693   1HD   LYS  86          2HD       LYS  86 -13.205   5.010  10.608
  694   2HD   LYS  86          3HD       LYS  86 -12.030   3.669  10.592
  695   1HE   LYS  86          2HE       LYS  86 -10.737   4.787  12.377
  696   2HE   LYS  86          3HE       LYS  86 -11.921   6.106  12.405
  697   1HZ   LYS  86          1HZ       LYS  86 -12.521   3.253  12.984
  698   2HZ   LYS  86          2HZ       LYS  86 -12.429   4.447  14.110
  699   3HZ   LYS  86          3HZ       LYS  86 -13.628   4.457  12.981
  700    H    LYS  87           H        LYS  87 -12.550   2.112   6.126
  701    HA   LYS  87           HA       LYS  87 -14.728   1.211   7.926
  702   1HB   LYS  87          2HB       LYS  87 -15.077   2.134   5.059
  703   2HB   LYS  87          3HB       LYS  87 -16.139   0.904   5.764
  704   1HG   LYS  87          2HG       LYS  87 -16.724   2.501   7.593
  705   2HG   LYS  87          3HG       LYS  87 -15.789   3.755   6.771
  706   1HD   LYS  87          2HD       LYS  87 -18.208   2.288   5.598
  707   2HD   LYS  87          3HD       LYS  87 -18.235   3.888   6.340
  708   1HE   LYS  87          2HE       LYS  87 -17.824   4.786   4.324
  709   2HE   LYS  87          3HE       LYS  87 -16.190   4.135   4.477
  710   1HZ   LYS  87          1HZ       LYS  87 -18.425   2.948   2.940
  711   2HZ   LYS  87          2HZ       LYS  87 -16.832   3.244   2.515
  712   3HZ   LYS  87          3HZ       LYS  87 -17.112   2.042   3.428
  713    H    GLU  88           H        GLU  88 -14.699  -0.825   8.131
  714    HA   GLU  88           HA       GLU  88 -12.735  -2.524   7.326
  715   1HB   GLU  88          2HB       GLU  88 -15.538  -3.055   8.341
  716   2HB   GLU  88          3HB       GLU  88 -14.440  -4.391   8.011
  717   1HG   GLU  88          2HG       GLU  88 -14.512  -3.516  10.430
  718   2HG   GLU  88          3HG       GLU  88 -12.948  -3.835   9.682
  719    H    LYS  89           H        LYS  89 -15.741  -2.080   5.486
  720    HA   LYS  89           HA       LYS  89 -15.380  -4.421   3.755
  721   1HB   LYS  89          2HB       LYS  89 -17.068  -1.923   3.449
  722   2HB   LYS  89          3HB       LYS  89 -17.279  -3.426   2.576
  723   1HG   LYS  89          2HG       LYS  89 -17.623  -3.182   5.610
  724   2HG   LYS  89          3HG       LYS  89 -18.887  -2.887   4.458
  725   1HD   LYS  89          2HD       LYS  89 -19.020  -5.136   5.469
  726   2HD   LYS  89          3HD       LYS  89 -18.923  -5.167   3.715
  727   1HE   LYS  89          2HE       LYS  89 -17.609  -6.975   4.789
  728   2HE   LYS  89          3HE       LYS  89 -16.647  -5.933   3.746
  729   1HZ   LYS  89          1HZ       LYS  89 -16.685  -5.809   6.720
  730   2HZ   LYS  89          2HZ       LYS  89 -15.439  -6.323   5.754
  731   3HZ   LYS  89          3HZ       LYS  89 -15.863  -4.775   5.736
  732    H    ASP  90           H        ASP  90 -15.078  -0.941   3.270
  733    HA   ASP  90           HA       ASP  90 -13.895  -0.812   0.804
  734   1HB   ASP  90          2HB       ASP  90 -13.122   0.874   3.232
  735   2HB   ASP  90          3HB       ASP  90 -13.098   1.320   1.540
  736    H    ARG  91           H        ARG  91 -12.235  -1.007   3.945
  737    HA   ARG  91           HA       ARG  91  -9.564  -1.584   3.158
  738   1HB   ARG  91          2HB       ARG  91 -11.176  -2.526   5.560
  739   2HB   ARG  91          3HB       ARG  91  -9.452  -2.826   5.378
  740   1HG   ARG  91          2HG       ARG  91  -8.913  -0.491   5.502
  741   2HG   ARG  91          3HG       ARG  91 -10.608  -0.010   5.368
  742   1HD   ARG  91          2HD       ARG  91 -11.113  -1.119   7.531
  743   2HD   ARG  91          3HD       ARG  91  -9.417  -1.610   7.679
  744    HE   ARG  91           HE       ARG  91  -9.418   1.189   7.342
  745   1HH1  ARG  91          1HH2      ARG  91 -10.550  -0.914   9.912
  746   2HH1  ARG  91          2HH2      ARG  91  -9.619  -0.053  11.101
  747   1HH2  ARG  91          1HH1      ARG  91  -8.803   2.402   8.865
  748   2HH2  ARG  91          2HH1      ARG  91  -8.574   1.717  10.445
  749    H    ASN  92           H        ASN  92 -12.163  -3.997   3.784
  750    HA   ASN  92           HA       ASN  92 -10.534  -6.292   3.201
  751   1HB   ASN  92          2HB       ASN  92 -13.543  -5.866   3.101
  752   2HB   ASN  92          3HB       ASN  92 -12.801  -7.398   2.789
  753   1HD2  ASN  92          2HD2      ASN  92 -10.729  -6.885   5.078
  754   2HD2  ASN  92          1HD2      ASN  92 -11.732  -7.018   6.520
  755    H    ASP  93           H        ASP  93 -12.711  -4.464   1.039
  756    HA   ASP  93           HA       ASP  93 -12.189  -6.086  -1.300
  757   1HB   ASP  93          2HB       ASP  93 -13.424  -3.345  -0.863
  758   2HB   ASP  93          3HB       ASP  93 -13.235  -4.074  -2.457
  759    H    LEU  94           H        LEU  94 -10.637  -3.076  -0.031
  760    HA   LEU  94           HA       LEU  94  -8.929  -2.637  -2.299
  761   1HB   LEU  94          2HB       LEU  94  -9.321  -1.416   0.262
  762   2HB   LEU  94          3HB       LEU  94  -7.664  -1.905   0.242
  763    HG   LEU  94           HG       LEU  94  -7.963   0.383  -0.467
  764   1HD1  LEU  94          1HD1      LEU  94  -7.018  -1.280  -2.807
  765   2HD1  LEU  94          2HD1      LEU  94  -6.673   0.441  -2.513
  766   3HD1  LEU  94          3HD1      LEU  94  -6.059  -0.777  -1.391
  767   1HD2  LEU  94          1HD2      LEU  94 -10.218   0.175  -1.459
  768   2HD2  LEU  94          2HD2      LEU  94  -9.076   1.066  -2.484
  769   3HD2  LEU  94          3HD2      LEU  94  -9.501  -0.606  -2.885
  770    H    ILE  95           H        ILE  95  -8.405  -4.426   0.724
  771    HA   ILE  95           HA       ILE  95  -5.815  -5.500   0.132
  772    HB   ILE  95           HB       ILE  95  -8.085  -6.535   1.865
  773   1HG1  ILE  95          2HG1      ILE  95  -5.490  -5.263   2.832
  774   2HG1  ILE  95          3HG1      ILE  95  -6.856  -4.259   2.379
  775   1HG2  ILE  95          1HG2      ILE  95  -5.183  -7.465   1.738
  776   2HG2  ILE  95          2HG2      ILE  95  -6.320  -7.913   3.016
  777   3HG2  ILE  95          3HG2      ILE  95  -6.622  -8.440   1.371
  778   1HD1  ILE  95          1HD1      ILE  95  -6.780  -6.296   4.623
  779   2HD1  ILE  95          2HD1      ILE  95  -7.062  -4.542   4.692
  780   3HD1  ILE  95          3HD1      ILE  95  -8.294  -5.590   4.012
  781    H    THR  96           H        THR  96  -9.061  -6.920  -0.359
  782    HA   THR  96           HA       THR  96  -8.220  -9.313  -1.665
  783    HB   THR  96           HB       THR  96 -10.810  -7.787  -2.144
  784    HG1  THR  96           1HG      THR  96 -10.485  -8.303   0.001
  785   1HG2  THR  96          1HG2      THR  96 -10.109 -10.727  -2.551
  786   2HG2  THR  96          2HG2      THR  96 -11.743 -10.046  -2.642
  787   3HG2  THR  96          3HG2      THR  96 -10.526  -9.564  -3.829
  788    H    TYR  97           H        TYR  97  -8.808  -6.084  -3.068
  789    HA   TYR  97           HA       TYR  97  -8.213  -6.862  -5.809
  790   1HB   TYR  97          2HB       TYR  97  -9.363  -4.840  -5.483
  791   2HB   TYR  97          3HB       TYR  97  -8.222  -4.245  -4.300
  792    HD1  TYR  97           HD1      TYR  97  -6.521  -2.780  -4.926
  793    HD2  TYR  97           HD2      TYR  97  -8.352  -5.275  -7.931
  794    HE1  TYR  97           HE1      TYR  97  -5.333  -1.524  -6.699
  795    HE2  TYR  97           HE2      TYR  97  -7.178  -3.969  -9.718
  796    HH   TYR  97           HH       TYR  97  -5.062  -1.235  -8.896
  797    H    LEU  98           H        LEU  98  -6.120  -5.210  -3.332
  798    HA   LEU  98           HA       LEU  98  -3.939  -5.142  -5.146
  799   1HB   LEU  98          2HB       LEU  98  -4.609  -4.239  -2.449
  800   2HB   LEU  98          3HB       LEU  98  -3.008  -4.877  -2.438
  801    HG   LEU  98           HG       LEU  98  -3.808  -2.975  -4.665
  802   1HD1  LEU  98          1HD1      LEU  98  -2.921  -2.136  -1.887
  803   2HD1  LEU  98          2HD1      LEU  98  -3.122  -1.075  -3.309
  804   3HD1  LEU  98          3HD1      LEU  98  -4.525  -1.890  -2.608
  805   1HD2  LEU  98          1HD2      LEU  98  -1.579  -4.111  -4.743
  806   2HD2  LEU  98          2HD2      LEU  98  -1.450  -2.352  -4.600
  807   3HD2  LEU  98          3HD2      LEU  98  -1.173  -3.387  -3.174
  808    H    LYS  99           H        LYS  99  -4.775  -7.549  -2.721
  809    HA   LYS  99           HA       LYS  99  -2.304  -9.031  -3.070
  810   1HB   LYS  99          2HB       LYS  99  -4.043  -9.396  -1.230
  811   2HB   LYS  99          3HB       LYS  99  -4.956 -10.353  -2.416
  812   1HG   LYS  99          2HG       LYS  99  -2.964 -11.808  -2.761
  813   2HG   LYS  99          3HG       LYS  99  -2.008 -10.773  -1.700
  814   1HD   LYS  99          2HD       LYS  99  -2.518 -12.562  -0.319
  815   2HD   LYS  99          3HD       LYS  99  -3.688 -11.317   0.148
  816   1HE   LYS  99          2HE       LYS  99  -5.223 -12.534  -1.643
  817   2HE   LYS  99          3HE       LYS  99  -4.069 -13.858  -1.455
  818   1HZ   LYS  99          1HZ       LYS  99  -5.697 -12.606   0.723
  819   2HZ   LYS  99          2HZ       LYS  99  -5.889 -14.135   0.138
  820   3HZ   LYS  99          3HZ       LYS  99  -4.576 -13.683   1.027
  821    H    LYS 100           H        LYS 100  -5.420  -9.195  -4.825
  822    HA   LYS 100           HA       LYS 100  -4.437 -11.214  -6.662
  823   1HB   LYS 100          2HB       LYS 100  -6.885 -10.493  -6.015
  824   2HB   LYS 100          3HB       LYS 100  -6.767  -9.434  -7.404
  825   1HG   LYS 100          2HG       LYS 100  -6.105 -12.418  -7.577
  826   2HG   LYS 100          3HG       LYS 100  -7.758 -11.865  -7.609
  827   1HD   LYS 100          2HD       LYS 100  -7.711 -11.301  -9.743
  828   2HD   LYS 100          3HD       LYS 100  -6.244 -10.361  -9.598
  829   1HE   LYS 100          2HE       LYS 100  -6.331 -13.404  -9.905
  830   2HE   LYS 100          3HE       LYS 100  -6.106 -12.254 -11.236
  831   1HZ   LYS 100          1HZ       LYS 100  -4.267 -12.731  -8.956
  832   2HZ   LYS 100          2HZ       LYS 100  -3.884 -12.999 -10.451
  833   3HZ   LYS 100          3HZ       LYS 100  -4.088 -11.456  -9.873
  834    H    ALA 101           H        ALA 101  -4.012  -7.853  -6.572
  835    HA   ALA 101           HA       ALA 101  -3.139  -7.494  -9.330
  836   1HB   ALA 101          1HB       ALA 101  -2.379  -5.911  -6.848
  837   2HB   ALA 101          2HB       ALA 101  -2.080  -5.458  -8.521
  838   3HB   ALA 101          3HB       ALA 101  -3.758  -5.573  -7.927
  839    H    THR 102           H        THR 102  -1.565  -8.893  -6.500
  840    HA   THR 102           HA       THR 102   0.988  -9.129  -8.037
  841    HB   THR 102           HB       THR 102   1.238  -7.889  -5.977
  842    HG1  THR 102           1HG      THR 102   2.412 -10.370  -6.433
  843   1HG2  THR 102          1HG2      THR 102   0.426 -10.471  -4.590
  844   2HG2  THR 102          2HG2      THR 102   1.378  -9.198  -3.841
  845   3HG2  THR 102          3HG2      THR 102  -0.281  -8.851  -4.385
  846    H    GLU 103           H        GLU 103  -1.616 -10.967  -6.602
  847    HA   GLU 103           HA       GLU 103  -0.360 -13.602  -7.266
  848   1HB   GLU 103          2HB       GLU 103  -2.452 -12.878  -5.160
  849   2HB   GLU 103          3HB       GLU 103  -2.037 -14.527  -5.628
  850   1HG   GLU 103          2HG       GLU 103   0.259 -14.195  -4.772
  851   2HG   GLU 103          3HG       GLU 103  -0.175 -12.569  -4.247
  852    HHA  HEC 104           HHA      HEC 104   5.533   3.316   0.691
  853    HHB  HEC 104           HHB      HEC 104  -0.200   0.418  -0.208
  854    HHC  HEC 104           HHC      HEC 104  -2.879   6.180  -1.541
  855    HHD  HEC 104           HHD      HEC 104   2.952   8.874  -1.307
  856   1HMA  HEC 104          1HMA      HEC 104   2.024  -1.032   1.658
  857   2HMA  HEC 104          2HMA      HEC 104   1.352  -1.148   0.018
  858   3HMA  HEC 104          3HMA      HEC 104   3.075  -1.415   0.276
  859   1HAA  HEC 104          1HAA      HEC 104   4.797  -0.390   1.403
  860   2HAA  HEC 104          2HAA      HEC 104   5.487   1.179   1.799
  861   1HBA  HEC 104          1HBA      HEC 104   6.263   1.430  -0.532
  862   2HBA  HEC 104          2HBA      HEC 104   5.523  -0.110  -0.958
  863   1HMB  HEC 104          1HMB      HEC 104  -3.295   0.550  -0.160
  864   2HMB  HEC 104          2HMB      HEC 104  -3.609   0.925  -1.861
  865   3HMB  HEC 104          3HMB      HEC 104  -2.099   0.138  -1.403
  866    HAB  HEC 104           HAB      HEC 104  -4.379   4.830  -1.207
  867   1HBB  HEC 104          1HBB      HEC 104  -4.606   3.578   0.891
  868   2HBB  HEC 104          2HBB      HEC 104  -6.085   3.649  -0.086
  869   3HBB  HEC 104          3HBB      HEC 104  -5.129   2.158  -0.043
  870   1HMC  HEC 104          1HMC      HEC 104  -3.091   8.572  -1.516
  871   2HMC  HEC 104          2HMC      HEC 104  -2.209   9.816  -2.405
  872   3HMC  HEC 104          3HMC      HEC 104  -2.583   8.278  -3.194
  873    HAC  HEC 104           HAC      HEC 104   1.737  10.013  -2.479
  874   1HBC  HEC 104          1HBC      HEC 104   0.660  11.134  -0.620
  875   2HBC  HEC 104          2HBC      HEC 104   0.674  12.123  -2.093
  876   3HBC  HEC 104          3HBC      HEC 104  -0.824  11.330  -1.573
  877   1HMD  HEC 104          1HMD      HEC 104   5.240   9.150   0.073
  878   2HMD  HEC 104          2HMD      HEC 104   6.632   8.384  -0.734
  879   3HMD  HEC 104          3HMD      HEC 104   5.211   8.893  -1.663
  880   1HAD  HEC 104          1HAD      HEC 104   7.492   6.336  -0.301
  881   2HAD  HEC 104          2HAD      HEC 104   7.161   4.796   0.463
  882   1HBD  HEC 104          1HBD      HEC 104   6.716   5.763   2.573
  883   2HBD  HEC 104          2HBD      HEC 104   6.434   7.365   1.898
  Start of MODEL   21
    1   1H    THR  -5          H1        THR  -5  -6.604 -16.457   9.040
    2   2H    THR  -5          H2        THR  -5  -5.151 -16.104   8.295
    3   3H    THR  -5          H3        THR  -5  -6.545 -16.132   7.426
    4    HA   THR  -5           HA       THR  -5  -5.864 -14.135   9.451
    5    HB   THR  -5           HB       THR  -5  -6.307 -12.696   7.311
    6    HG1  THR  -5           1HG      THR  -5  -5.731 -13.873   5.427
    7   1HG2  THR  -5          1HG2      THR  -5  -3.835 -14.514   7.430
    8   2HG2  THR  -5          2HG2      THR  -5  -3.950 -12.917   6.686
    9   3HG2  THR  -5          3HG2      THR  -5  -4.071 -13.064   8.441
   10    H    GLU  -4           H        GLU  -4  -7.581 -12.532   9.831
   11    HA   GLU  -4           HA       GLU  -4 -10.260 -13.797   9.784
   12   1HB   GLU  -4          2HB       GLU  -4  -8.986 -12.915  11.794
   13   2HB   GLU  -4          3HB       GLU  -4  -9.324 -11.286  11.203
   14   1HG   GLU  -4          2HG       GLU  -4 -11.670 -11.541  11.607
   15   2HG   GLU  -4          3HG       GLU  -4 -11.548 -13.310  11.652
   16    H    PHE  -3           H        PHE  -3  -8.591 -11.763   7.869
   17    HA   PHE  -3           HA       PHE  -3 -10.089  -9.708   6.823
   18   1HB   PHE  -3          2HB       PHE  -3  -7.828 -10.102   6.236
   19   2HB   PHE  -3          3HB       PHE  -3  -8.146 -11.762   5.770
   20    HD1  PHE  -3           HD1      PHE  -3  -7.837 -12.217   3.548
   21    HD2  PHE  -3           HD2      PHE  -3  -9.422  -8.356   4.686
   22    HE1  PHE  -3           HE1      PHE  -3  -8.015 -11.599   1.175
   23    HE2  PHE  -3           HE2      PHE  -3  -9.609  -7.763   2.283
   24    HZ   PHE  -3           HZ       PHE  -3  -8.932  -9.370   0.527
   25    H    LYS  -2           H        LYS  -2 -12.367 -10.297   6.972
   26    HA   LYS  -2           HA       LYS  -2 -13.460 -12.048   4.929
   27   1HB   LYS  -2          2HB       LYS  -2 -14.706 -11.145   6.964
   28   2HB   LYS  -2          3HB       LYS  -2 -14.976  -9.675   6.038
   29   1HG   LYS  -2          2HG       LYS  -2 -15.982 -12.505   5.499
   30   2HG   LYS  -2          3HG       LYS  -2 -16.935 -11.040   5.777
   31   1HD   LYS  -2          2HD       LYS  -2 -16.030 -10.148   3.592
   32   2HD   LYS  -2          3HD       LYS  -2 -15.284 -11.742   3.333
   33   1HE   LYS  -2          2HE       LYS  -2 -17.589 -12.749   3.371
   34   2HE   LYS  -2          3HE       LYS  -2 -18.227 -11.091   3.397
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.583 -12.360   1.283
   36   2HZ   LYS  -2          2HZ       LYS  -2 -18.046 -11.632   1.088
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.657 -10.765   1.388
   38    H    ALA  -1           H        ALA  -1 -12.294 -11.676   3.167
   39    HA   ALA  -1           HA       ALA  -1 -11.801  -9.456   1.629
   40   1HB   ALA  -1          1HB       ALA  -1 -12.639 -12.224   0.659
   41   2HB   ALA  -1          2HB       ALA  -1 -11.708 -11.037  -0.275
   42   3HB   ALA  -1          3HB       ALA  -1 -11.007 -11.752   1.187
   43    H    GLY   1           H        GLY   1 -12.673  -8.640  -0.314
   44   1HA   GLY   1          1HA       GLY   1 -15.675  -8.374  -0.410
   45   2HA   GLY   1          2HA       GLY   1 -14.533  -7.120  -0.879
   46    H    SER   2           H        SER   2 -14.280  -6.935  -3.049
   47    HA   SER   2           HA       SER   2 -14.004  -9.420  -4.700
   48   1HB   SER   2          2HB       SER   2 -16.257  -8.736  -5.105
   49   2HB   SER   2          3HB       SER   2 -15.770  -7.047  -5.307
   50    HG   SER   2           HG       SER   2 -15.879  -8.968  -7.135
   51    H    ALA   3           H        ALA   3 -12.483  -9.365  -6.281
   52    HA   ALA   3           HA       ALA   3 -10.443  -7.380  -6.209
   53   1HB   ALA   3          1HB       ALA   3 -11.026  -9.486  -8.332
   54   2HB   ALA   3          2HB       ALA   3  -9.495  -8.614  -8.109
   55   3HB   ALA   3          3HB       ALA   3 -10.060  -9.727  -6.855
   56    H    LYS   4           H        LYS   4 -13.393  -7.483  -8.130
   57    HA   LYS   4           HA       LYS   4 -12.424  -5.369  -9.944
   58   1HB   LYS   4          2HB       LYS   4 -14.070  -7.160 -10.657
   59   2HB   LYS   4          3HB       LYS   4 -15.295  -6.333  -9.676
   60   1HG   LYS   4          2HG       LYS   4 -14.989  -4.271 -11.040
   61   2HG   LYS   4          3HG       LYS   4 -13.697  -5.066 -11.955
   62   1HD   LYS   4          2HD       LYS   4 -15.347  -6.754 -12.771
   63   2HD   LYS   4          3HD       LYS   4 -16.631  -5.887 -11.890
   64   1HE   LYS   4          2HE       LYS   4 -16.101  -3.822 -13.202
   65   2HE   LYS   4          3HE       LYS   4 -14.846  -4.710 -14.075
   66   1HZ   LYS   4          1HZ       LYS   4 -17.748  -5.332 -14.140
   67   2HZ   LYS   4          2HZ       LYS   4 -16.884  -4.650 -15.357
   68   3HZ   LYS   4          3HZ       LYS   4 -16.583  -6.200 -14.911
   69    H    LYS   5           H        LYS   5 -14.198  -5.524  -7.162
   70    HA   LYS   5           HA       LYS   5 -15.131  -2.714  -6.883
   71   1HB   LYS   5          2HB       LYS   5 -14.831  -5.070  -5.005
   72   2HB   LYS   5          3HB       LYS   5 -14.963  -3.481  -4.320
   73   1HG   LYS   5          2HG       LYS   5 -17.012  -4.180  -6.405
   74   2HG   LYS   5          3HG       LYS   5 -17.067  -5.107  -4.921
   75   1HD   LYS   5          2HD       LYS   5 -16.772  -2.336  -4.126
   76   2HD   LYS   5          3HD       LYS   5 -17.972  -2.389  -5.407
   77   1HE   LYS   5          2HE       LYS   5 -19.047  -2.624  -3.227
   78   2HE   LYS   5          3HE       LYS   5 -19.246  -4.101  -4.184
   79   1HZ   LYS   5          1HZ       LYS   5 -17.330  -3.732  -1.909
   80   2HZ   LYS   5          2HZ       LYS   5 -18.608  -4.752  -1.981
   81   3HZ   LYS   5          3HZ       LYS   5 -17.229  -4.961  -2.876
   82    H    GLY   6           H        GLY   6 -12.483  -4.556  -5.307
   83   1HA   GLY   6          1HA       GLY   6 -11.037  -2.394  -4.295
   84   2HA   GLY   6          2HA       GLY   6 -10.333  -3.931  -4.765
   85    H    ALA   7           H        ALA   7 -10.818  -3.723  -7.652
   86    HA   ALA   7           HA       ALA   7  -8.744  -2.028  -8.545
   87   1HB   ALA   7          1HB       ALA   7 -11.102  -3.055 -10.181
   88   2HB   ALA   7          2HB       ALA   7  -9.518  -2.532 -10.786
   89   3HB   ALA   7          3HB       ALA   7  -9.648  -3.993  -9.793
   90    H    THR   8           H        THR   8 -12.326  -1.427  -8.778
   91    HA   THR   8           HA       THR   8 -12.035   1.258  -9.797
   92    HB   THR   8           HB       THR   8 -14.388   1.596  -8.889
   93    HG1  THR   8           1HG      THR   8 -14.020  -0.384  -7.388
   94   1HG2  THR   8          1HG2      THR   8 -13.919  -0.829 -10.670
   95   2HG2  THR   8          2HG2      THR   8 -15.414   0.118 -10.550
   96   3HG2  THR   8          3HG2      THR   8 -13.950   0.869 -11.219
   97    H    LEU   9           H        LEU   9 -11.932   0.028  -6.525
   98    HA   LEU   9           HA       LEU   9 -12.202   2.585  -5.185
   99   1HB   LEU   9          2HB       LEU   9 -11.260  -0.155  -4.308
  100   2HB   LEU   9          3HB       LEU   9 -11.151   1.233  -3.229
  101    HG   LEU   9           HG       LEU   9 -13.740   0.514  -4.598
  102   1HD1  LEU   9          1HD1      LEU   9 -12.745  -0.465  -1.873
  103   2HD1  LEU   9          2HD1      LEU   9 -14.385  -0.697  -2.518
  104   3HD1  LEU   9          3HD1      LEU   9 -13.005  -1.466  -3.318
  105   1HD2  LEU   9          1HD2      LEU   9 -13.655   2.748  -3.550
  106   2HD2  LEU   9          2HD2      LEU   9 -14.747   1.688  -2.650
  107   3HD2  LEU   9          3HD2      LEU   9 -13.124   2.014  -2.018
  108    H    PHE  10           H        PHE  10  -9.424   0.398  -5.592
  109    HA   PHE  10           HA       PHE  10  -7.283   1.973  -4.785
  110   1HB   PHE  10          2HB       PHE  10  -7.131  -0.381  -5.541
  111   2HB   PHE  10          3HB       PHE  10  -7.386   0.121  -7.197
  112    HD1  PHE  10           HD1      PHE  10  -5.570   1.027  -8.513
  113    HD2  PHE  10           HD2      PHE  10  -4.997   0.116  -4.344
  114    HE1  PHE  10           HE1      PHE  10  -3.100   1.258  -8.789
  115    HE2  PHE  10           HE2      PHE  10  -2.558   0.398  -4.614
  116    HZ   PHE  10           HZ       PHE  10  -1.607   0.993  -6.847
  117    H    LYS  11           H        LYS  11  -8.861   2.070  -7.936
  118    HA   LYS  11           HA       LYS  11  -7.111   3.953  -9.212
  119   1HB   LYS  11          2HB       LYS  11  -8.719   2.324 -10.247
  120   2HB   LYS  11          3HB       LYS  11 -10.037   3.426  -9.864
  121   1HG   LYS  11          2HG       LYS  11  -9.393   4.971 -11.471
  122   2HG   LYS  11          3HG       LYS  11  -7.682   4.564 -11.377
  123   1HD   LYS  11          2HD       LYS  11  -9.758   2.698 -12.597
  124   2HD   LYS  11          3HD       LYS  11  -8.836   3.898 -13.529
  125   1HE   LYS  11          2HE       LYS  11  -6.708   2.880 -12.822
  126   2HE   LYS  11          3HE       LYS  11  -7.564   1.695 -11.833
  127   1HZ   LYS  11          1HZ       LYS  11  -7.704   1.913 -14.785
  128   2HZ   LYS  11          2HZ       LYS  11  -6.907   0.759 -13.930
  129   3HZ   LYS  11          3HZ       LYS  11  -8.549   0.817 -13.884
  130    H    THR  12           H        THR  12  -9.581   4.574  -6.882
  131    HA   THR  12           HA       THR  12  -8.907   7.459  -6.983
  132    HB   THR  12           HB       THR  12 -11.009   7.141  -8.194
  133    HG1  THR  12           1HG      THR  12 -11.958   8.870  -7.194
  134   1HG2  THR  12          1HG2      THR  12 -12.318   6.503  -5.530
  135   2HG2  THR  12          2HG2      THR  12 -13.096   6.715  -7.105
  136   3HG2  THR  12          3HG2      THR  12 -12.041   5.319  -6.824
  137    H    ARG  13           H        ARG  13  -7.733   5.576  -5.506
  138    HA   ARG  13           HA       ARG  13  -8.094   6.696  -2.761
  139   1HB   ARG  13          2HB       ARG  13  -7.739   3.729  -3.412
  140   2HB   ARG  13          3HB       ARG  13  -7.502   4.411  -1.810
  141   1HG   ARG  13          2HG       ARG  13 -10.152   4.524  -3.281
  142   2HG   ARG  13          3HG       ARG  13  -9.671   3.225  -2.190
  143   1HD   ARG  13          2HD       ARG  13  -9.457   4.876  -0.362
  144   2HD   ARG  13          3HD       ARG  13  -9.961   6.166  -1.458
  145    HE   ARG  13           HE       ARG  13 -11.640   4.025  -0.279
  146   1HH1  ARG  13          1HH2      ARG  13 -11.496   6.360  -2.930
  147   2HH1  ARG  13          2HH2      ARG  13 -13.221   6.384  -3.108
  148   1HH2  ARG  13          1HH1      ARG  13 -13.755   3.989  -0.629
  149   2HH2  ARG  13          2HH1      ARG  13 -14.516   5.002  -1.834
  150    H    CYS  14           H        CYS  14  -6.057   4.646  -4.816
  151    HA   CYS  14           HA       CYS  14  -3.628   5.540  -3.324
  152   1HB   CYS  14          2HB       CYS  14  -4.062   2.916  -4.725
  153   2HB   CYS  14          3HB       CYS  14  -2.831   3.300  -3.530
  154    H    LEU  15           H        LEU  15  -4.883   4.534  -6.543
  155    HA   LEU  15           HA       LEU  15  -2.471   4.492  -7.895
  156   1HB   LEU  15          2HB       LEU  15  -4.913   3.791  -8.501
  157   2HB   LEU  15          3HB       LEU  15  -4.995   5.345  -9.323
  158    HG   LEU  15           HG       LEU  15  -2.843   3.226  -9.847
  159   1HD1  LEU  15          1HD1      LEU  15  -5.412   3.720 -11.384
  160   2HD1  LEU  15          2HD1      LEU  15  -4.153   2.506 -11.756
  161   3HD1  LEU  15          3HD1      LEU  15  -5.127   2.339 -10.294
  162   1HD2  LEU  15          1HD2      LEU  15  -2.125   5.298 -10.807
  163   2HD2  LEU  15          2HD2      LEU  15  -2.747   4.329 -12.118
  164   3HD2  LEU  15          3HD2      LEU  15  -3.742   5.657 -11.456
  165    H    GLN  16           H        GLN  16  -4.294   7.370  -7.042
  166    HA   GLN  16           HA       GLN  16  -3.069   9.330  -8.654
  167   1HB   GLN  16          2HB       GLN  16  -3.618  10.894  -6.888
  168   2HB   GLN  16          3HB       GLN  16  -4.951   9.778  -7.161
  169   1HG   GLN  16          2HG       GLN  16  -4.345   8.498  -5.139
  170   2HG   GLN  16          3HG       GLN  16  -2.916   9.512  -4.896
  171   1HE2  GLN  16          2HE2      GLN  16  -3.143  11.453  -3.761
  172   2HE2  GLN  16          1HE2      GLN  16  -4.757  12.060  -3.336
  173    H    CYS  17           H        CYS  17  -1.527   7.411  -6.217
  174    HA   CYS  17           HA       CYS  17   0.945   9.105  -6.394
  175   1HB   CYS  17          2HB       CYS  17  -0.141   7.570  -4.026
  176   2HB   CYS  17          3HB       CYS  17   1.445   8.297  -4.087
  177    H    HIS  18           H        HIS  18  -0.362   5.952  -6.796
  178    HA   HIS  18           HA       HIS  18   2.320   4.625  -6.843
  179   1HB   HIS  18          1HB       HIS  18  -0.302   3.761  -5.535
  180   2HB   HIS  18          2HB       HIS  18   1.015   2.649  -5.854
  181    HD1  HIS  18           HD1      HIS  18   3.517   3.760  -4.752
  182    HD2  HIS  18           HD2      HIS  18  -0.271   4.294  -3.006
  183    HE1  HIS  18           HE1      HIS  18   3.921   4.157  -2.269
  184    H    THR  19           H        THR  19   2.322   2.540  -7.854
  185    HA   THR  19           HA       THR  19   0.238   1.914  -9.909
  186    HB   THR  19           HB       THR  19   2.084   0.917 -11.189
  187    HG1  THR  19           1HG      THR  19   4.090   1.109 -10.473
  188   1HG2  THR  19          1HG2      THR  19   2.327   3.928 -10.746
  189   2HG2  THR  19          2HG2      THR  19   2.870   3.045 -12.178
  190   3HG2  THR  19          3HG2      THR  19   1.138   3.128 -11.799
  191    H    VAL  20           H        VAL  20   0.016  -0.392 -10.271
  192    HA   VAL  20           HA       VAL  20   1.075  -2.137  -8.061
  193    HB   VAL  20           HB       VAL  20  -1.291  -1.351  -7.731
  194   1HG1  VAL  20          1HG1      VAL  20  -1.953  -3.368  -9.908
  195   2HG1  VAL  20          2HG1      VAL  20  -3.090  -2.531  -8.840
  196   3HG1  VAL  20          3HG1      VAL  20  -2.155  -1.602 -10.019
  197   1HG2  VAL  20          1HG2      VAL  20  -0.306  -3.263  -6.515
  198   2HG2  VAL  20          2HG2      VAL  20  -2.043  -3.456  -6.802
  199   3HG2  VAL  20          3HG2      VAL  20  -0.877  -4.363  -7.784
  200    H    GLU  21           H        GLU  21   0.788  -1.639 -11.301
  201    HA   GLU  21           HA       GLU  21   0.865  -4.392 -12.213
  202   1HB   GLU  21          2HB       GLU  21   1.405  -1.861 -13.779
  203   2HB   GLU  21          3HB       GLU  21   0.947  -3.427 -14.403
  204   1HG   GLU  21          2HG       GLU  21  -1.016  -2.244 -14.597
  205   2HG   GLU  21          3HG       GLU  21  -1.261  -3.211 -13.152
  206    H    LYS  22           H        LYS  22   2.611  -5.079 -13.828
  207    HA   LYS  22           HA       LYS  22   5.342  -4.558 -12.984
  208   1HB   LYS  22          2HB       LYS  22   3.843  -6.382 -14.891
  209   2HB   LYS  22          3HB       LYS  22   5.579  -6.165 -15.060
  210   1HG   LYS  22          2HG       LYS  22   5.999  -6.807 -12.775
  211   2HG   LYS  22          3HG       LYS  22   4.276  -6.810 -12.407
  212   1HD   LYS  22          2HD       LYS  22   5.540  -8.802 -14.335
  213   2HD   LYS  22          3HD       LYS  22   5.411  -8.996 -12.587
  214   1HE   LYS  22          2HE       LYS  22   3.566 -10.156 -13.202
  215   2HE   LYS  22          3HE       LYS  22   2.911  -8.580 -12.789
  216   1HZ   LYS  22          1HZ       LYS  22   3.450  -9.602 -15.527
  217   2HZ   LYS  22          2HZ       LYS  22   1.972  -9.351 -14.844
  218   3HZ   LYS  22          3HZ       LYS  22   2.934  -8.066 -15.206
  219    H    GLY  23           H        GLY  23   6.088  -2.654 -13.529
  220   1HA   GLY  23          1HA       GLY  23   7.405  -1.631 -15.396
  221   2HA   GLY  23          2HA       GLY  23   5.960  -1.746 -16.399
  222    H    GLY  24           H        GLY  24   4.834  -0.881 -13.355
  223   1HA   GLY  24          1HA       GLY  24   4.138   1.771 -14.068
  224   2HA   GLY  24          2HA       GLY  24   4.079   1.052 -12.466
  225    HA   PRO  25           HA       PRO  25   8.236   3.500 -12.958
  226   1HB   PRO  25          2HB       PRO  25   7.753   6.141 -13.532
  227   2HB   PRO  25          3HB       PRO  25   8.104   4.914 -14.791
  228   1HG   PRO  25          2HG       PRO  25   5.395   5.940 -13.884
  229   2HG   PRO  25          3HG       PRO  25   5.999   5.741 -15.561
  230   1HD   PRO  25          2HD       PRO  25   4.413   3.884 -14.351
  231   2HD   PRO  25          3HD       PRO  25   5.723   3.395 -15.471
  232    H    HIS  26           H        HIS  26   8.927   4.317 -10.999
  233    HA   HIS  26           HA       HIS  26   7.134   4.661  -8.828
  234   1HB   HIS  26          2HB       HIS  26   9.901   5.882  -9.064
  235   2HB   HIS  26          3HB       HIS  26   9.019   5.428  -7.600
  236    HD1  HIS  26           HD1      HIS  26   8.310   2.389  -8.599
  237    HD2  HIS  26           HD2      HIS  26  12.021   4.378  -8.711
  238    HE1  HIS  26           HE1      HIS  26  10.154   0.592  -8.324
  239    H    LYS  27           H        LYS  27   6.047   6.377  -8.046
  240    HA   LYS  27           HA       LYS  27   6.200   8.983  -9.469
  241   1HB   LYS  27          2HB       LYS  27   3.952   7.042  -8.946
  242   2HB   LYS  27          3HB       LYS  27   3.528   8.732  -8.846
  243   1HG   LYS  27          2HG       LYS  27   4.985   7.621 -11.264
  244   2HG   LYS  27          3HG       LYS  27   3.220   7.636 -11.106
  245   1HD   LYS  27          2HD       LYS  27   3.238  10.081 -10.754
  246   2HD   LYS  27          3HD       LYS  27   5.006  10.107 -10.927
  247   1HE   LYS  27          2HE       LYS  27   4.820   9.268 -13.228
  248   2HE   LYS  27          3HE       LYS  27   3.059   9.156 -13.069
  249   1HZ   LYS  27          1HZ       LYS  27   4.623  11.672 -12.852
  250   2HZ   LYS  27          2HZ       LYS  27   3.715  11.230 -14.155
  251   3HZ   LYS  27          3HZ       LYS  27   2.990  11.553 -12.716
  252    H    VAL  28           H        VAL  28   3.860   9.199  -7.169
  253    HA   VAL  28           HA       VAL  28   5.475  10.860  -5.419
  254    HB   VAL  28           HB       VAL  28   2.691   9.788  -4.929
  255   1HG1  VAL  28          1HG1      VAL  28   4.135  12.246  -3.856
  256   2HG1  VAL  28          2HG1      VAL  28   2.431  11.839  -3.550
  257   3HG1  VAL  28          3HG1      VAL  28   3.712  10.797  -2.925
  258   1HG2  VAL  28          1HG2      VAL  28   2.644  10.964  -7.078
  259   2HG2  VAL  28          2HG2      VAL  28   1.858  11.940  -5.846
  260   3HG2  VAL  28          3HG2      VAL  28   3.513  12.342  -6.361
  261    H    GLY  29           H        GLY  29   4.290   7.504  -5.354
  262   1HA   GLY  29          1HA       GLY  29   6.458   6.949  -3.385
  263   2HA   GLY  29          2HA       GLY  29   4.909   6.107  -3.277
  264    HA   PRO  30           HA       PRO  30   7.814   3.723  -6.113
  265   1HB   PRO  30          2HB       PRO  30   8.028   1.386  -4.718
  266   2HB   PRO  30          3HB       PRO  30   8.989   2.835  -4.303
  267   1HG   PRO  30          2HG       PRO  30   6.359   1.947  -3.064
  268   2HG   PRO  30          3HG       PRO  30   7.893   2.348  -2.225
  269   1HD   PRO  30          2HD       PRO  30   5.924   4.184  -2.514
  270   2HD   PRO  30          3HD       PRO  30   7.627   4.645  -2.633
  271    H    ASN  31           H        ASN  31   7.337   1.245  -6.796
  272    HA   ASN  31           HA       ASN  31   4.525   1.045  -7.690
  273   1HB   ASN  31          2HB       ASN  31   6.789   0.304  -8.922
  274   2HB   ASN  31          3HB       ASN  31   6.589  -1.165  -7.975
  275   1HD2  ASN  31          2HD2      ASN  31   4.027  -2.147  -8.317
  276   2HD2  ASN  31          1HD2      ASN  31   3.742  -2.013 -10.060
  277    H    LEU  32           H        LEU  32   3.181  -0.743  -7.033
  278    HA   LEU  32           HA       LEU  32   3.777  -1.925  -4.359
  279   1HB   LEU  32          2HB       LEU  32   1.124  -1.420  -5.727
  280   2HB   LEU  32          3HB       LEU  32   1.340  -2.081  -4.115
  281    HG   LEU  32           HG       LEU  32   2.189   0.734  -4.953
  282   1HD1  LEU  32          1HD1      LEU  32  -0.175  -0.296  -3.334
  283   2HD1  LEU  32          2HD1      LEU  32   0.270   1.412  -3.526
  284   3HD1  LEU  32          3HD1      LEU  32  -0.223   0.465  -4.940
  285   1HD2  LEU  32          1HD2      LEU  32   3.592  -0.013  -3.129
  286   2HD2  LEU  32          2HD2      LEU  32   2.375   1.087  -2.476
  287   3HD2  LEU  32          3HD2      LEU  32   2.188  -0.664  -2.248
  288    H    HIS  33           H        HIS  33   4.595  -3.170  -7.026
  289    HA   HIS  33           HA       HIS  33   2.911  -5.614  -7.147
  290   1HB   HIS  33          2HB       HIS  33   3.317  -4.246  -9.293
  291   2HB   HIS  33          3HB       HIS  33   4.993  -4.766  -9.197
  292    HD1  HIS  33           HD1      HIS  33   1.440  -6.157  -9.603
  293    HD2  HIS  33           HD2      HIS  33   5.466  -7.409  -9.760
  294    HE1  HIS  33           HE1      HIS  33   1.420  -8.550 -10.494
  295    H    GLY  34           H        GLY  34   3.755  -7.259  -6.135
  296   1HA   GLY  34          1HA       GLY  34   5.292  -8.818  -5.305
  297   2HA   GLY  34          2HA       GLY  34   6.613  -7.916  -6.045
  298    H    ILE  35           H        ILE  35   4.744  -5.837  -4.123
  299    HA   ILE  35           HA       ILE  35   6.777  -5.608  -2.074
  300    HB   ILE  35           HB       ILE  35   5.376  -3.996  -0.972
  301   1HG1  ILE  35          2HG1      ILE  35   3.195  -3.332  -2.393
  302   2HG1  ILE  35          3HG1      ILE  35   3.134  -5.065  -2.690
  303   1HG2  ILE  35          1HG2      ILE  35   5.343  -3.625  -3.993
  304   2HG2  ILE  35          2HG2      ILE  35   5.316  -2.350  -2.753
  305   3HG2  ILE  35          3HG2      ILE  35   6.736  -3.374  -2.926
  306   1HD1  ILE  35          1HD1      ILE  35   3.227  -3.738   0.065
  307   2HD1  ILE  35          2HD1      ILE  35   1.758  -4.313  -0.749
  308   3HD1  ILE  35          3HD1      ILE  35   2.995  -5.465  -0.235
  309    H    PHE  36           H        PHE  36   3.739  -7.405  -2.165
  310    HA   PHE  36           HA       PHE  36   3.623  -8.144   0.596
  311   1HB   PHE  36          2HB       PHE  36   2.487  -9.371  -1.921
  312   2HB   PHE  36          3HB       PHE  36   2.215 -10.043  -0.328
  313    HD1  PHE  36           HD1      PHE  36   1.109  -8.654   1.476
  314    HD2  PHE  36           HD2      PHE  36   1.095  -7.488  -2.684
  315    HE1  PHE  36           HE1      PHE  36  -0.890  -7.238   1.874
  316    HE2  PHE  36           HE2      PHE  36  -0.917  -6.131  -2.301
  317    HZ   PHE  36           HZ       PHE  36  -1.930  -6.005  -0.011
  318    H    GLY  37           H        GLY  37   4.964  -9.329   1.644
  319   1HA   GLY  37          1HA       GLY  37   6.289 -11.271   2.129
  320   2HA   GLY  37          2HA       GLY  37   6.535 -11.549   0.414
  321    H    ARG  38           H        ARG  38   7.206  -8.502   0.196
  322    HA   ARG  38           HA       ARG  38  10.063  -8.603   1.025
  323   1HB   ARG  38          2HB       ARG  38   8.968  -7.500  -1.137
  324   2HB   ARG  38          3HB       ARG  38   8.654  -6.172  -0.057
  325   1HG   ARG  38          2HG       ARG  38  10.618  -5.518  -0.996
  326   2HG   ARG  38          3HG       ARG  38  11.235  -6.330   0.449
  327   1HD   ARG  38          2HD       ARG  38  11.652  -8.339  -0.816
  328   2HD   ARG  38          3HD       ARG  38  10.959  -7.629  -2.286
  329    HE   ARG  38           HE       ARG  38  12.896  -5.800  -1.680
  330   1HH1  ARG  38          1HH2      ARG  38  13.121  -9.225  -2.420
  331   2HH1  ARG  38          2HH2      ARG  38  14.745  -8.989  -3.055
  332   1HH2  ARG  38          1HH1      ARG  38  14.949  -5.662  -2.396
  333   2HH2  ARG  38          2HH1      ARG  38  15.740  -6.930  -3.110
  334    H    HIS  39           H        HIS  39  10.795  -6.605   2.172
  335    HA   HIS  39           HA       HIS  39   9.017  -5.934   4.490
  336   1HB   HIS  39          2HB       HIS  39  11.944  -5.240   4.153
  337   2HB   HIS  39          3HB       HIS  39  10.943  -4.927   5.558
  338    HD1  HIS  39           HD1      HIS  39  12.867  -7.702   3.887
  339    HD2  HIS  39           HD2      HIS  39  10.317  -7.041   7.166
  340    HE1  HIS  39           HE1      HIS  39  13.009  -9.820   5.399
  341    H    SER  40           H        SER  40   8.479  -3.754   4.923
  342    HA   SER  40           HA       SER  40   8.362  -1.864   2.879
  343   1HB   SER  40          2HB       SER  40   7.945  -0.190   4.565
  344   2HB   SER  40          3HB       SER  40   7.223  -1.726   5.046
  345    HG   SER  40           HG       SER  40   9.348  -0.318   6.153
  346    H    GLY  41           H        GLY  41   9.549  -0.211   2.172
  347   1HA   GLY  41          1HA       GLY  41  11.496   1.071   1.735
  348   2HA   GLY  41          2HA       GLY  41  12.159   0.522   3.266
  349    H    GLN  42           H        GLN  42  11.329  -2.037   1.061
  350    HA   GLN  42           HA       GLN  42  14.187  -2.317   0.186
  351   1HB   GLN  42          2HB       GLN  42  12.212  -4.469   0.955
  352   2HB   GLN  42          3HB       GLN  42  13.773  -4.772   0.188
  353   1HG   GLN  42          2HG       GLN  42  14.866  -3.579   2.127
  354   2HG   GLN  42          3HG       GLN  42  13.304  -3.677   2.954
  355   1HE2  GLN  42          2HE2      GLN  42  16.127  -5.140   3.256
  356   2HE2  GLN  42          1HE2      GLN  42  15.588  -6.813   3.409
  357    H    ALA  43           H        ALA  43  12.134  -0.895  -1.383
  358    HA   ALA  43           HA       ALA  43  12.404  -2.485  -3.890
  359   1HB   ALA  43          1HB       ALA  43  11.361   0.349  -3.527
  360   2HB   ALA  43          2HB       ALA  43  11.340  -0.621  -5.001
  361   3HB   ALA  43          3HB       ALA  43  10.344  -1.111  -3.614
  362    H    GLU  44           H        GLU  44  14.650  -2.706  -4.067
  363    HA   GLU  44           HA       GLU  44  16.621  -0.726  -3.800
  364   1HB   GLU  44          2HB       GLU  44  16.510  -3.167  -5.613
  365   2HB   GLU  44          3HB       GLU  44  17.879  -2.066  -5.552
  366   1HG   GLU  44          2HG       GLU  44  18.654  -3.574  -4.083
  367   2HG   GLU  44          3HG       GLU  44  17.826  -2.507  -2.952
  368    H    GLY  45           H        GLY  45  15.966   1.238  -4.554
  369   1HA   GLY  45          1HA       GLY  45  17.168   2.299  -6.728
  370   2HA   GLY  45          2HA       GLY  45  15.705   1.689  -7.486
  371    H    TYR  46           H        TYR  46  14.620   2.638  -4.481
  372    HA   TYR  46           HA       TYR  46  14.082   5.456  -5.350
  373   1HB   TYR  46          2HB       TYR  46  12.406   3.938  -6.189
  374   2HB   TYR  46          3HB       TYR  46  12.023   3.398  -4.578
  375    HD1  TYR  46           HD1      TYR  46  11.623   6.071  -7.073
  376    HD2  TYR  46           HD2      TYR  46  11.152   5.062  -2.953
  377    HE1  TYR  46           HE1      TYR  46   9.891   7.858  -6.865
  378    HE2  TYR  46           HE2      TYR  46   9.362   6.851  -2.713
  379    HH   TYR  46           HH       TYR  46   8.208   8.726  -5.527
  380    H    SER  47           H        SER  47  14.033   6.990  -3.920
  381    HA   SER  47           HA       SER  47  15.127   6.472  -1.317
  382   1HB   SER  47          2HB       SER  47  14.274   9.096  -2.576
  383   2HB   SER  47          3HB       SER  47  15.278   8.887  -1.118
  384    HG   SER  47           HG       SER  47  16.782   8.981  -2.657
  385    H    TYR  48           H        TYR  48  13.454   5.307  -0.295
  386    HA   TYR  48           HA       TYR  48  11.008   6.324   0.740
  387   1HB   TYR  48          2HB       TYR  48  13.087   4.416   1.872
  388   2HB   TYR  48          3HB       TYR  48  11.515   4.672   2.608
  389    HD1  TYR  48           HD1      TYR  48   9.451   3.936   1.561
  390    HD2  TYR  48           HD2      TYR  48  13.298   3.091  -0.228
  391    HE1  TYR  48           HE1      TYR  48   8.447   2.102   0.245
  392    HE2  TYR  48           HE2      TYR  48  12.234   1.327  -1.624
  393    HH   TYR  48           HH       TYR  48   9.055   0.022  -0.849
  394    H    THR  49           H        THR  49  10.628   6.782   3.149
  395    HA   THR  49           HA       THR  49  12.593   8.714   4.283
  396    HB   THR  49           HB       THR  49  11.177   8.795   6.286
  397    HG1  THR  49           1HG      THR  49   9.156   7.415   4.929
  398   1HG2  THR  49          1HG2      THR  49   9.803   9.281   3.657
  399   2HG2  THR  49          2HG2      THR  49   9.237   9.919   5.220
  400   3HG2  THR  49          3HG2      THR  49  10.811  10.424   4.568
  401    H    ASP  50           H        ASP  50  13.815   8.439   6.048
  402    HA   ASP  50           HA       ASP  50  14.937   6.087   6.990
  403   1HB   ASP  50          2HB       ASP  50  15.628   8.441   7.421
  404   2HB   ASP  50          3HB       ASP  50  14.231   8.652   8.482
  405    H    ALA  51           H        ALA  51  11.894   7.598   8.074
  406    HA   ALA  51           HA       ALA  51  11.269   5.843  10.218
  407   1HB   ALA  51          1HB       ALA  51   9.404   7.444   8.405
  408   2HB   ALA  51          2HB       ALA  51   9.022   6.791  10.015
  409   3HB   ALA  51          3HB       ALA  51  10.237   8.065   9.849
  410    H    ASN  52           H        ASN  52  10.116   5.696   6.781
  411    HA   ASN  52           HA       ASN  52   8.608   3.272   7.137
  412   1HB   ASN  52          2HB       ASN  52   8.274   4.902   5.283
  413   2HB   ASN  52          3HB       ASN  52   9.818   4.416   4.581
  414   1HD2  ASN  52          2HD2      ASN  52   9.946   2.189   3.551
  415   2HD2  ASN  52          1HD2      ASN  52   8.370   1.502   3.137
  416    H    ILE  53           H        ILE  53  11.968   3.846   6.246
  417    HA   ILE  53           HA       ILE  53  12.692   1.095   5.711
  418    HB   ILE  53           HB       ILE  53  14.288   3.507   6.578
  419   1HG1  ILE  53          2HG1      ILE  53  14.276   2.175   3.826
  420   2HG1  ILE  53          3HG1      ILE  53  13.170   3.472   4.244
  421   1HG2  ILE  53          1HG2      ILE  53  15.361   0.799   5.628
  422   2HG2  ILE  53          2HG2      ILE  53  16.356   2.251   5.858
  423   3HG2  ILE  53          3HG2      ILE  53  15.582   1.510   7.242
  424   1HD1  ILE  53          1HD1      ILE  53  16.204   3.707   4.192
  425   2HD1  ILE  53          2HD1      ILE  53  15.054   4.415   3.058
  426   3HD1  ILE  53          3HD1      ILE  53  15.089   4.981   4.737
  427    H    LYS  54           H        LYS  54  13.400   3.066   8.672
  428    HA   LYS  54           HA       LYS  54  14.164   0.843  10.270
  429   1HB   LYS  54          2HB       LYS  54  13.055   3.590  10.979
  430   2HB   LYS  54          3HB       LYS  54  13.710   2.452  12.168
  431   1HG   LYS  54          2HG       LYS  54  15.862   2.389  10.977
  432   2HG   LYS  54          3HG       LYS  54  15.273   3.517   9.763
  433   1HD   LYS  54          2HD       LYS  54  14.955   5.258  11.435
  434   2HD   LYS  54          3HD       LYS  54  15.497   4.173  12.736
  435   1HE   LYS  54          2HE       LYS  54  17.728   4.071  11.871
  436   2HE   LYS  54          3HE       LYS  54  17.200   4.660  10.279
  437   1HZ   LYS  54          1HZ       LYS  54  17.220   6.372  12.691
  438   2HZ   LYS  54          2HZ       LYS  54  18.279   6.433  11.397
  439   3HZ   LYS  54          3HZ       LYS  54  16.717   6.760  11.172
  440    H    LYS  55           H        LYS  55  11.160   1.314   9.038
  441    HA   LYS  55           HA       LYS  55   9.723   0.023  11.296
  442   1HB   LYS  55          2HB       LYS  55   8.804   1.674   9.316
  443   2HB   LYS  55          3HB       LYS  55   8.365   0.121   8.638
  444   1HG   LYS  55          2HG       LYS  55   7.542   1.272  11.358
  445   2HG   LYS  55          3HG       LYS  55   6.554   1.089   9.910
  446   1HD   LYS  55          2HD       LYS  55   5.784  -0.729  10.969
  447   2HD   LYS  55          3HD       LYS  55   7.171  -1.464  10.178
  448   1HE   LYS  55          2HE       LYS  55   8.378  -0.775  12.468
  449   2HE   LYS  55          3HE       LYS  55   6.711  -0.794  13.072
  450   1HZ   LYS  55          1HZ       LYS  55   8.104  -2.991  11.650
  451   2HZ   LYS  55          2HZ       LYS  55   7.790  -2.980  13.260
  452   3HZ   LYS  55          3HZ       LYS  55   6.529  -3.068  12.199
  453    H    ASN  56           H        ASN  56  11.118  -0.920   8.207
  454    HA   ASN  56           HA       ASN  56  10.655  -2.761   6.849
  455   1HB   ASN  56          2HB       ASN  56  12.320  -3.756   9.173
  456   2HB   ASN  56          3HB       ASN  56  12.067  -4.695   7.711
  457   1HD2  ASN  56          2HD2      ASN  56  12.301  -2.343   5.690
  458   2HD2  ASN  56          1HD2      ASN  56  13.992  -1.976   6.002
  459    H    VAL  57           H        VAL  57   8.246  -2.582   7.479
  460    HA   VAL  57           HA       VAL  57   7.218  -4.988   8.854
  461    HB   VAL  57           HB       VAL  57   5.106  -4.105   7.307
  462   1HG1  VAL  57          1HG1      VAL  57   5.804  -3.244  10.132
  463   2HG1  VAL  57          2HG1      VAL  57   4.185  -3.363   9.425
  464   3HG1  VAL  57          3HG1      VAL  57   5.146  -4.819   9.683
  465   1HG2  VAL  57          1HG2      VAL  57   5.951  -2.070   6.553
  466   2HG2  VAL  57          2HG2      VAL  57   4.805  -1.709   7.819
  467   3HG2  VAL  57          3HG2      VAL  57   6.546  -1.567   8.136
  468    H    LEU  58           H        LEU  58   7.496  -6.930   7.992
  469    HA   LEU  58           HA       LEU  58   7.764  -7.450   5.165
  470   1HB   LEU  58          2HB       LEU  58   8.603  -8.880   7.058
  471   2HB   LEU  58          3HB       LEU  58   6.951  -9.424   7.324
  472    HG   LEU  58           HG       LEU  58   8.352  -9.643   4.613
  473   1HD1  LEU  58          1HD1      LEU  58   8.289 -11.739   6.822
  474   2HD1  LEU  58          2HD1      LEU  58   8.956 -11.937   5.178
  475   3HD1  LEU  58          3HD1      LEU  58   9.716 -10.808   6.304
  476   1HD2  LEU  58          1HD2      LEU  58   5.949 -10.043   4.440
  477   2HD2  LEU  58          2HD2      LEU  58   6.776 -11.595   4.335
  478   3HD2  LEU  58          3HD2      LEU  58   5.984 -11.123   5.851
  479    H    TRP  59           H        TRP  59   6.170  -6.809   3.864
  480    HA   TRP  59           HA       TRP  59   3.526  -6.306   4.686
  481   1HB   TRP  59          2HB       TRP  59   4.652  -6.622   1.917
  482   2HB   TRP  59          3HB       TRP  59   3.073  -5.938   2.280
  483    HD1  TRP  59           HD1      TRP  59   6.370  -4.799   1.420
  484    HE1  TRP  59           HE1      TRP  59   6.738  -2.357   2.055
  485    HE3  TRP  59           HE3      TRP  59   2.554  -4.234   4.816
  486    HZ2  TRP  59           HZ2      TRP  59   5.668  -0.464   3.892
  487    HZ3  TRP  59           HZ3      TRP  59   2.232  -2.086   5.976
  488    HH2  TRP  59           HH2      TRP  59   3.798  -0.175   5.547
  489    H    ASP  60           H        ASP  60   1.923  -7.495   5.077
  490    HA   ASP  60           HA       ASP  60   1.259 -10.062   3.764
  491   1HB   ASP  60          2HB       ASP  60   2.145 -10.972   5.677
  492   2HB   ASP  60          3HB       ASP  60   1.953  -9.509   6.617
  493    H    GLU  61           H        GLU  61  -1.065 -10.607   4.689
  494    HA   GLU  61           HA       GLU  61  -2.922  -8.713   3.486
  495   1HB   GLU  61          2HB       GLU  61  -3.374 -11.117   5.311
  496   2HB   GLU  61          3HB       GLU  61  -4.668 -10.190   4.544
  497   1HG   GLU  61          2HG       GLU  61  -3.742 -10.802   2.314
  498   2HG   GLU  61          3HG       GLU  61  -2.557 -11.842   3.113
  499    H    ASN  62           H        ASN  62  -2.504  -9.747   6.897
  500    HA   ASN  62           HA       ASN  62  -4.374  -7.648   7.776
  501   1HB   ASN  62          2HB       ASN  62  -2.996 -10.004   9.063
  502   2HB   ASN  62          3HB       ASN  62  -3.480  -8.673  10.100
  503   1HD2  ASN  62          2HD2      ASN  62  -5.922  -7.833   9.424
  504   2HD2  ASN  62          1HD2      ASN  62  -7.026  -9.210   9.376
  505    H    ASN  63           H        ASN  63  -0.887  -8.268   7.957
  506    HA   ASN  63           HA       ASN  63  -0.104  -6.024   9.523
  507   1HB   ASN  63          2HB       ASN  63   1.356  -7.920   9.042
  508   2HB   ASN  63          3HB       ASN  63   1.328  -7.542   7.314
  509   1HD2  ASN  63          2HD2      ASN  63   3.500  -6.786   6.906
  510   2HD2  ASN  63          1HD2      ASN  63   3.996  -5.343   7.780
  511    H    MET  64           H        MET  64  -0.435  -6.164   5.877
  512    HA   MET  64           HA       MET  64   0.411  -3.392   5.672
  513   1HB   MET  64          2HB       MET  64   0.473  -5.213   3.845
  514   2HB   MET  64          3HB       MET  64  -1.226  -4.848   3.583
  515   1HG   MET  64          2HG       MET  64   0.796  -2.602   3.634
  516   2HG   MET  64          3HG       MET  64   0.775  -3.670   2.246
  517   1HE   MET  64          1HE       MET  64  -2.149  -4.292   1.483
  518   2HE   MET  64          2HE       MET  64  -2.486  -2.910   0.418
  519   3HE   MET  64          3HE       MET  64  -0.886  -3.687   0.376
  520    H    SER  65           H        SER  65  -2.742  -4.952   6.076
  521    HA   SER  65           HA       SER  65  -4.399  -2.654   5.762
  522   1HB   SER  65          2HB       SER  65  -5.006  -5.168   5.948
  523   2HB   SER  65          3HB       SER  65  -5.067  -4.872   7.690
  524    HG   SER  65           HG       SER  65  -7.076  -4.552   6.391
  525    H    GLU  66           H        GLU  66  -2.457  -3.682   8.558
  526    HA   GLU  66           HA       GLU  66  -3.430  -1.828  10.513
  527   1HB   GLU  66          2HB       GLU  66  -1.849  -3.779  10.888
  528   2HB   GLU  66          3HB       GLU  66  -0.565  -2.787  10.173
  529   1HG   GLU  66          2HG       GLU  66  -0.929  -1.063  11.921
  530   2HG   GLU  66          3HG       GLU  66  -2.181  -2.077  12.640
  531    H    TYR  67           H        TYR  67  -0.719  -1.468   8.175
  532    HA   TYR  67           HA       TYR  67  -0.248   1.318   8.674
  533   1HB   TYR  67          2HB       TYR  67   1.324  -0.224   7.524
  534   2HB   TYR  67          3HB       TYR  67   0.226  -0.338   6.167
  535    HD1  TYR  67           HD1      TYR  67   1.406   0.510   4.333
  536    HD2  TYR  67           HD2      TYR  67   1.442   2.653   8.053
  537    HE1  TYR  67           HE1      TYR  67   2.808   2.277   3.301
  538    HE2  TYR  67           HE2      TYR  67   2.782   4.500   6.983
  539    HH   TYR  67           HH       TYR  67   4.283   4.045   3.872
  540    H    LEU  68           H        LEU  68  -2.510  -0.297   6.323
  541    HA   LEU  68           HA       LEU  68  -3.483   2.220   5.272
  542   1HB   LEU  68          2HB       LEU  68  -4.857  -0.483   5.449
  543   2HB   LEU  68          3HB       LEU  68  -5.397   0.888   4.491
  544    HG   LEU  68           HG       LEU  68  -2.826  -0.659   4.051
  545   1HD1  LEU  68          1HD1      LEU  68  -5.417  -0.498   2.464
  546   2HD1  LEU  68          2HD1      LEU  68  -3.957  -1.389   1.988
  547   3HD1  LEU  68          3HD1      LEU  68  -4.853  -1.885   3.428
  548   1HD2  LEU  68          1HD2      LEU  68  -2.440   1.641   3.376
  549   2HD2  LEU  68          2HD2      LEU  68  -2.631   0.626   1.956
  550   3HD2  LEU  68          3HD2      LEU  68  -3.977   1.674   2.478
  551    H    THR  69           H        THR  69  -4.226   0.563   8.217
  552    HA   THR  69           HA       THR  69  -6.711   1.862   8.821
  553    HB   THR  69           HB       THR  69  -4.783   0.396  10.545
  554    HG1  THR  69           1HG      THR  69  -5.809  -0.848   9.084
  555   1HG2  THR  69          1HG2      THR  69  -7.562   1.374  11.275
  556   2HG2  THR  69          2HG2      THR  69  -6.613   0.181  12.182
  557   3HG2  THR  69          3HG2      THR  69  -6.038   1.849  12.065
  558    H    ASN  70           H        ASN  70  -3.373   2.745   9.793
  559    HA   ASN  70           HA       ASN  70  -4.180   5.499   9.467
  560   1HB   ASN  70          2HB       ASN  70  -4.916   5.129  11.827
  561   2HB   ASN  70          3HB       ASN  70  -3.235   4.836  12.272
  562   1HD2  ASN  70          2HD2      ASN  70  -5.177   7.047  13.066
  563   2HD2  ASN  70          1HD2      ASN  70  -4.258   8.498  12.642
  564    HA   PRO  71           HA       PRO  71  -0.011   4.296   8.202
  565   1HB   PRO  71          2HB       PRO  71   0.402   6.110   6.139
  566   2HB   PRO  71          3HB       PRO  71  -0.515   4.584   5.992
  567   1HG   PRO  71          2HG       PRO  71  -1.600   7.369   6.476
  568   2HG   PRO  71          3HG       PRO  71  -2.196   6.130   5.331
  569   1HD   PRO  71          2HD       PRO  71  -3.369   6.514   7.740
  570   2HD   PRO  71          3HD       PRO  71  -3.193   4.864   7.061
  571    H    LYS  72           H        LYS  72  -0.879   7.708   8.648
  572    HA   LYS  72           HA       LYS  72   1.838   8.588   9.228
  573   1HB   LYS  72          2HB       LYS  72  -0.896   9.887   9.492
  574   2HB   LYS  72          3HB       LYS  72   0.588  10.696  10.025
  575   1HG   LYS  72          2HG       LYS  72   1.572  10.581   7.821
  576   2HG   LYS  72          3HG       LYS  72   0.233   9.588   7.205
  577   1HD   LYS  72          2HD       LYS  72  -1.350  11.397   7.559
  578   2HD   LYS  72          3HD       LYS  72  -0.084  12.430   8.271
  579   1HE   LYS  72          2HE       LYS  72   1.110  12.579   6.200
  580   2HE   LYS  72          3HE       LYS  72   0.204  11.222   5.509
  581   1HZ   LYS  72          1HZ       LYS  72  -1.057  13.815   6.199
  582   2HZ   LYS  72          2HZ       LYS  72  -0.657  13.325   4.662
  583   3HZ   LYS  72          3HZ       LYS  72  -1.753  12.484   5.470
  584    H    LYS  73           H        LYS  73  -0.707   7.331  11.301
  585    HA   LYS  73           HA       LYS  73   0.850   8.017  13.712
  586   1HB   LYS  73          2HB       LYS  73  -1.649   7.649  13.739
  587   2HB   LYS  73          3HB       LYS  73  -1.366   5.916  13.549
  588   1HG   LYS  73          2HG       LYS  73  -0.084   7.571  15.771
  589   2HG   LYS  73          3HG       LYS  73  -1.708   6.941  15.935
  590   1HD   LYS  73          2HD       LYS  73  -1.071   4.821  16.332
  591   2HD   LYS  73          3HD       LYS  73   0.236   4.824  15.183
  592   1HE   LYS  73          2HE       LYS  73   0.316   6.036  17.984
  593   2HE   LYS  73          3HE       LYS  73   1.036   4.506  17.470
  594   1HZ   LYS  73          1HZ       LYS  73   1.887   7.214  16.638
  595   2HZ   LYS  73          2HZ       LYS  73   2.783   6.072  17.419
  596   3HZ   LYS  73          3HZ       LYS  73   2.365   5.890  15.834
  597    H    TYR  74           H        TYR  74   0.403   5.048  11.677
  598    HA   TYR  74           HA       TYR  74   2.050   3.397  13.274
  599   1HB   TYR  74          2HB       TYR  74   0.350   2.818  11.438
  600   2HB   TYR  74          3HB       TYR  74   1.626   3.154  10.280
  601    HD1  TYR  74           HD1      TYR  74   2.913   1.266   9.588
  602    HD2  TYR  74           HD2      TYR  74   0.985   1.217  13.459
  603    HE1  TYR  74           HE1      TYR  74   3.650  -1.093   9.966
  604    HE2  TYR  74           HE2      TYR  74   1.807  -1.097  13.835
  605    HH   TYR  74           HH       TYR  74   2.324  -2.984  12.290
  606    H    ILE  75           H        ILE  75   2.874   5.334  10.397
  607    HA   ILE  75           HA       ILE  75   5.777   5.100  11.101
  608    HB   ILE  75           HB       ILE  75   4.668   5.475   8.318
  609   1HG1  ILE  75          2HG1      ILE  75   5.457   2.965   9.812
  610   2HG1  ILE  75          3HG1      ILE  75   3.948   3.316   8.982
  611   1HG2  ILE  75          1HG2      ILE  75   7.454   4.728   9.362
  612   2HG2  ILE  75          2HG2      ILE  75   6.998   5.008   7.664
  613   3HG2  ILE  75          3HG2      ILE  75   6.986   6.347   8.793
  614   1HD1  ILE  75          1HD1      ILE  75   6.605   2.624   7.716
  615   2HD1  ILE  75          2HD1      ILE  75   5.068   1.761   7.610
  616   3HD1  ILE  75          3HD1      ILE  75   5.258   3.325   6.791
  617    HA   PRO  76           HA       PRO  76   4.358   9.452  11.722
  618   1HB   PRO  76          2HB       PRO  76   5.796  10.041  13.963
  619   2HB   PRO  76          3HB       PRO  76   4.272   9.100  13.995
  620   1HG   PRO  76          2HG       PRO  76   7.110   8.038  14.021
  621   2HG   PRO  76          3HG       PRO  76   5.743   7.569  15.078
  622   1HD   PRO  76          2HD       PRO  76   6.445   6.137  12.864
  623   2HD   PRO  76          3HD       PRO  76   4.739   6.302  13.374
  624    H    GLY  77           H        GLY  77   5.197  10.532  10.089
  625   1HA   GLY  77          1HA       GLY  77   6.983  12.144   9.393
  626   2HA   GLY  77          2HA       GLY  77   8.172  10.948   9.891
  627    H    THR  78           H        THR  78   5.845   9.063   8.513
  628    HA   THR  78           HA       THR  78   7.138   8.401   6.149
  629    HB   THR  78           HB       THR  78   5.378   7.072   7.133
  630    HG1  THR  78           1HG      THR  78   4.613   6.354   5.249
  631   1HG2  THR  78          1HG2      THR  78   3.312   8.950   5.907
  632   2HG2  THR  78          2HG2      THR  78   3.020   7.457   6.820
  633   3HG2  THR  78          3HG2      THR  78   3.670   8.890   7.639
  634    H    LYS  79           H        LYS  79   7.214   8.992   4.166
  635    HA   LYS  79           HA       LYS  79   6.291  11.559   3.112
  636   1HB   LYS  79          2HB       LYS  79   8.409  10.362   2.529
  637   2HB   LYS  79          3HB       LYS  79   7.468   9.102   1.748
  638   1HG   LYS  79          2HG       LYS  79   6.664  11.160   0.232
  639   2HG   LYS  79          3HG       LYS  79   8.095  11.933   0.900
  640   1HD   LYS  79          2HD       LYS  79   7.869   9.483  -0.859
  641   2HD   LYS  79          3HD       LYS  79   8.738  10.950  -1.199
  642   1HE   LYS  79          2HE       LYS  79   9.572   8.970   0.994
  643   2HE   LYS  79          3HE       LYS  79  10.036   8.786  -0.692
  644   1HZ   LYS  79          1HZ       LYS  79  10.800  11.038   1.045
  645   2HZ   LYS  79          2HZ       LYS  79  11.764   9.866   0.354
  646   3HZ   LYS  79          3HZ       LYS  79  11.058  10.992  -0.589
  647    H    MET  80           H        MET  80   4.702   8.527   3.609
  648    HA   MET  80           HA       MET  80   2.773   8.697   1.475
  649   1HB   MET  80          2HB       MET  80   3.266   6.595   2.584
  650   2HB   MET  80          3HB       MET  80   2.657   7.228   4.118
  651   1HG   MET  80          2HG       MET  80   0.501   7.134   3.506
  652   2HG   MET  80          3HG       MET  80   0.807   7.470   1.812
  653   1HE   MET  80          1HE       MET  80  -1.429   5.683   1.910
  654   2HE   MET  80          2HE       MET  80  -1.226   3.967   2.349
  655   3HE   MET  80          3HE       MET  80  -1.083   5.224   3.594
  656    H    ALA  81           H        ALA  81   2.473  10.943   1.538
  657    HA   ALA  81           HA       ALA  81   1.267  12.318   3.636
  658   1HB   ALA  81          1HB       ALA  81   1.199  12.992   0.672
  659   2HB   ALA  81          2HB       ALA  81   0.989  14.138   2.010
  660   3HB   ALA  81          3HB       ALA  81   2.546  13.322   1.780
  661    H    PHE  82           H        PHE  82  -0.286   9.951   2.490
  662    HA   PHE  82           HA       PHE  82  -2.988  10.777   1.808
  663   1HB   PHE  82          2HB       PHE  82  -1.950   8.637   1.154
  664   2HB   PHE  82          3HB       PHE  82  -1.802   8.175   2.840
  665    HD1  PHE  82           HD1      PHE  82  -4.662   9.536   0.722
  666    HD2  PHE  82           HD2      PHE  82  -3.210   6.372   3.279
  667    HE1  PHE  82           HE1      PHE  82  -6.889   8.469   0.685
  668    HE2  PHE  82           HE2      PHE  82  -5.420   5.286   3.180
  669    HZ   PHE  82           HZ       PHE  82  -7.274   6.341   1.916
  670    H    GLY  83           H        GLY  83  -4.893   9.967   3.189
  671   1HA   GLY  83          1HA       GLY  83  -4.660  11.126   5.937
  672   2HA   GLY  83          2HA       GLY  83  -6.113  11.055   4.950
  673    H    GLY  84           H        GLY  84  -5.018   8.049   4.539
  674   1HA   GLY  84          1HA       GLY  84  -5.145   5.986   5.618
  675   2HA   GLY  84          2HA       GLY  84  -5.552   6.789   7.132
  676    H    LEU  85           H        LEU  85  -6.685   4.406   5.727
  677    HA   LEU  85           HA       LEU  85  -9.373   5.170   4.843
  678   1HB   LEU  85          2HB       LEU  85  -8.050   2.466   5.343
  679   2HB   LEU  85          3HB       LEU  85  -9.645   2.676   4.618
  680    HG   LEU  85           HG       LEU  85  -7.032   3.698   3.420
  681   1HD1  LEU  85          1HD1      LEU  85  -8.792   1.389   2.525
  682   2HD1  LEU  85          2HD1      LEU  85  -7.281   1.941   1.783
  683   3HD1  LEU  85          3HD1      LEU  85  -7.249   1.213   3.388
  684   1HD2  LEU  85          1HD2      LEU  85  -8.996   5.063   2.707
  685   2HD2  LEU  85          2HD2      LEU  85  -8.370   4.062   1.392
  686   3HD2  LEU  85          3HD2      LEU  85  -9.841   3.571   2.239
  687    H    LYS  86           H        LYS  86 -11.256   4.142   5.768
  688    HA   LYS  86           HA       LYS  86 -11.197   4.078   8.783
  689   1HB   LYS  86          2HB       LYS  86 -13.019   5.840   7.108
  690   2HB   LYS  86          3HB       LYS  86 -13.062   5.689   8.864
  691   1HG   LYS  86          2HG       LYS  86 -10.686   6.756   7.269
  692   2HG   LYS  86          3HG       LYS  86 -11.916   7.757   8.012
  693   1HD   LYS  86          2HD       LYS  86 -11.168   7.400  10.173
  694   2HD   LYS  86          3HD       LYS  86 -10.475   5.829   9.819
  695   1HE   LYS  86          2HE       LYS  86  -8.756   7.535  10.307
  696   2HE   LYS  86          3HE       LYS  86  -8.561   6.702   8.761
  697   1HZ   LYS  86          1HZ       LYS  86  -9.718   9.420   9.032
  698   2HZ   LYS  86          2HZ       LYS  86  -8.175   9.074   8.533
  699   3HZ   LYS  86          3HZ       LYS  86  -9.417   8.601   7.620
  700    H    LYS  87           H        LYS  87 -13.263   3.342   5.962
  701    HA   LYS  87           HA       LYS  87 -14.889   1.521   7.671
  702   1HB   LYS  87          2HB       LYS  87 -15.037   2.214   4.701
  703   2HB   LYS  87          3HB       LYS  87 -16.090   1.049   5.518
  704   1HG   LYS  87          2HG       LYS  87 -16.897   2.865   7.038
  705   2HG   LYS  87          3HG       LYS  87 -15.889   4.031   6.156
  706   1HD   LYS  87          2HD       LYS  87 -17.116   3.437   4.051
  707   2HD   LYS  87          3HD       LYS  87 -18.198   2.406   4.988
  708   1HE   LYS  87          2HE       LYS  87 -17.796   5.413   5.385
  709   2HE   LYS  87          3HE       LYS  87 -19.114   4.685   4.466
  710   1HZ   LYS  87          1HZ       LYS  87 -18.662   4.327   7.380
  711   2HZ   LYS  87          2HZ       LYS  87 -19.851   5.208   6.683
  712   3HZ   LYS  87          3HZ       LYS  87 -19.848   3.581   6.515
  713    H    GLU  88           H        GLU  88 -14.176  -0.532   8.022
  714    HA   GLU  88           HA       GLU  88 -11.941  -1.628   6.648
  715   1HB   GLU  88          2HB       GLU  88 -14.070  -2.790   8.447
  716   2HB   GLU  88          3HB       GLU  88 -12.771  -3.802   7.754
  717   1HG   GLU  88          2HG       GLU  88 -11.050  -2.464   8.715
  718   2HG   GLU  88          3HG       GLU  88 -12.182  -1.174   9.154
  719    H    LYS  89           H        LYS  89 -15.382  -1.888   5.782
  720    HA   LYS  89           HA       LYS  89 -15.054  -3.998   3.880
  721   1HB   LYS  89          2HB       LYS  89 -17.018  -1.693   3.720
  722   2HB   LYS  89          3HB       LYS  89 -17.143  -3.307   3.019
  723   1HG   LYS  89          2HG       LYS  89 -16.759  -3.971   5.614
  724   2HG   LYS  89          3HG       LYS  89 -17.551  -2.420   5.859
  725   1HD   LYS  89          2HD       LYS  89 -19.525  -3.208   4.595
  726   2HD   LYS  89          3HD       LYS  89 -18.693  -4.743   4.241
  727   1HE   LYS  89          2HE       LYS  89 -18.473  -5.160   6.706
  728   2HE   LYS  89          3HE       LYS  89 -19.392  -3.691   7.029
  729   1HZ   LYS  89          1HZ       LYS  89 -20.419  -6.031   5.519
  730   2HZ   LYS  89          2HZ       LYS  89 -20.784  -5.696   7.083
  731   3HZ   LYS  89          3HZ       LYS  89 -21.292  -4.686   5.898
  732    H    ASP  90           H        ASP  90 -14.443  -0.644   3.710
  733    HA   ASP  90           HA       ASP  90 -13.703  -0.391   0.892
  734   1HB   ASP  90          2HB       ASP  90 -14.349   1.460   2.615
  735   2HB   ASP  90          3HB       ASP  90 -12.659   1.392   3.118
  736    H    ARG  91           H        ARG  91 -11.743  -0.637   3.901
  737    HA   ARG  91           HA       ARG  91  -9.188  -1.108   2.721
  738   1HB   ARG  91          2HB       ARG  91 -10.260  -2.368   5.284
  739   2HB   ARG  91          3HB       ARG  91  -8.574  -2.306   4.796
  740   1HG   ARG  91          2HG       ARG  91  -8.559   0.145   4.976
  741   2HG   ARG  91          3HG       ARG  91 -10.273   0.142   5.423
  742   1HD   ARG  91          2HD       ARG  91  -9.651  -1.335   7.389
  743   2HD   ARG  91          3HD       ARG  91  -7.953  -1.054   7.002
  744    HE   ARG  91           HE       ARG  91  -8.560   1.453   7.304
  745   1HH1  ARG  91          1HH2      ARG  91  -9.721  -1.087   9.402
  746   2HH1  ARG  91          2HH2      ARG  91 -10.294  -0.045  10.616
  747   1HH2  ARG  91          1HH1      ARG  91  -9.093   2.823   8.970
  748   2HH2  ARG  91          2HH1      ARG  91  -9.801   2.113  10.413
  749    H    ASN  92           H        ASN  92 -11.680  -3.515   3.491
  750    HA   ASN  92           HA       ASN  92 -10.006  -5.701   2.702
  751   1HB   ASN  92          2HB       ASN  92 -12.966  -5.628   3.394
  752   2HB   ASN  92          3HB       ASN  92 -11.975  -7.100   3.228
  753   1HD2  ASN  92          2HD2      ASN  92 -13.350  -6.575   5.602
  754   2HD2  ASN  92          1HD2      ASN  92 -12.141  -6.096   6.823
  755    H    ASP  93           H        ASP  93 -12.872  -4.216   1.028
  756    HA   ASP  93           HA       ASP  93 -12.772  -5.833  -1.364
  757   1HB   ASP  93          2HB       ASP  93 -13.658  -2.989  -0.775
  758   2HB   ASP  93          3HB       ASP  93 -13.446  -3.531  -2.423
  759    H    LEU  94           H        LEU  94 -11.043  -2.764  -0.562
  760    HA   LEU  94           HA       LEU  94  -9.440  -2.543  -2.851
  761   1HB   LEU  94          2HB       LEU  94  -9.728  -0.822  -1.099
  762   2HB   LEU  94          3HB       LEU  94  -8.828  -1.816   0.028
  763    HG   LEU  94           HG       LEU  94  -6.817  -1.637  -1.546
  764   1HD1  LEU  94          1HD1      LEU  94  -8.570   0.582  -2.704
  765   2HD1  LEU  94          2HD1      LEU  94  -6.852   0.321  -3.058
  766   3HD1  LEU  94          3HD1      LEU  94  -8.049  -0.893  -3.558
  767   1HD2  LEU  94          1HD2      LEU  94  -7.024  -0.362   0.550
  768   2HD2  LEU  94          2HD2      LEU  94  -6.249   0.602  -0.718
  769   3HD2  LEU  94          3HD2      LEU  94  -7.951   0.899  -0.298
  770    H    ILE  95           H        ILE  95  -8.508  -4.202   0.203
  771    HA   ILE  95           HA       ILE  95  -6.039  -5.268  -0.752
  772    HB   ILE  95           HB       ILE  95  -7.916  -6.145   1.460
  773   1HG1  ILE  95          2HG1      ILE  95  -5.120  -4.923   1.656
  774   2HG1  ILE  95          3HG1      ILE  95  -6.548  -3.914   1.515
  775   1HG2  ILE  95          1HG2      ILE  95  -5.114  -7.242   0.882
  776   2HG2  ILE  95          2HG2      ILE  95  -6.066  -7.572   2.340
  777   3HG2  ILE  95          3HG2      ILE  95  -6.626  -8.164   0.794
  778   1HD1  ILE  95          1HD1      ILE  95  -5.960  -5.854   3.782
  779   2HD1  ILE  95          2HD1      ILE  95  -5.989  -4.084   3.832
  780   3HD1  ILE  95          3HD1      ILE  95  -7.499  -4.981   3.577
  781    H    THR  96           H        THR  96  -9.344  -6.520  -1.113
  782    HA   THR  96           HA       THR  96  -8.575  -9.099  -2.151
  783    HB   THR  96           HB       THR  96 -11.146  -7.612  -2.813
  784    HG1  THR  96           1HG      THR  96 -10.731  -7.778  -0.541
  785   1HG2  THR  96          1HG2      THR  96 -10.461 -10.584  -2.614
  786   2HG2  THR  96          2HG2      THR  96 -12.083  -9.916  -2.873
  787   3HG2  THR  96          3HG2      THR  96 -10.836  -9.706  -4.110
  788    H    TYR  97           H        TYR  97  -8.775  -5.940  -3.715
  789    HA   TYR  97           HA       TYR  97  -8.131  -7.058  -6.397
  790   1HB   TYR  97          2HB       TYR  97  -9.217  -4.971  -6.402
  791   2HB   TYR  97          3HB       TYR  97  -8.115  -4.263  -5.234
  792    HD1  TYR  97           HD1      TYR  97  -8.027  -5.809  -8.679
  793    HD2  TYR  97           HD2      TYR  97  -6.475  -2.798  -6.008
  794    HE1  TYR  97           HE1      TYR  97  -6.806  -4.745 -10.574
  795    HE2  TYR  97           HE2      TYR  97  -5.245  -1.762  -7.911
  796    HH   TYR  97           HH       TYR  97  -4.724  -3.083 -10.863
  797    H    LEU  98           H        LEU  98  -6.355  -5.282  -3.840
  798    HA   LEU  98           HA       LEU  98  -4.003  -5.112  -5.328
  799   1HB   LEU  98          2HB       LEU  98  -4.973  -4.238  -2.811
  800   2HB   LEU  98          3HB       LEU  98  -3.510  -5.103  -2.405
  801    HG   LEU  98           HG       LEU  98  -3.505  -3.057  -4.660
  802   1HD1  LEU  98          1HD1      LEU  98  -3.187  -2.487  -1.696
  803   2HD1  LEU  98          2HD1      LEU  98  -2.798  -1.363  -3.015
  804   3HD1  LEU  98          3HD1      LEU  98  -4.473  -1.889  -2.763
  805   1HD2  LEU  98          1HD2      LEU  98  -1.490  -4.519  -4.326
  806   2HD2  LEU  98          2HD2      LEU  98  -1.158  -2.806  -4.055
  807   3HD2  LEU  98          3HD2      LEU  98  -1.348  -3.897  -2.665
  808    H    LYS  99           H        LYS  99  -4.843  -7.561  -2.953
  809    HA   LYS  99           HA       LYS  99  -2.367  -9.051  -3.165
  810   1HB   LYS  99          2HB       LYS  99  -4.300  -9.343  -1.432
  811   2HB   LYS  99          3HB       LYS  99  -5.042 -10.388  -2.651
  812   1HG   LYS  99          2HG       LYS  99  -2.815 -11.689  -2.697
  813   2HG   LYS  99          3HG       LYS  99  -2.289 -10.673  -1.355
  814   1HD   LYS  99          2HD       LYS  99  -3.054 -12.624  -0.279
  815   2HD   LYS  99          3HD       LYS  99  -4.383 -11.492  -0.091
  816   1HE   LYS  99          2HE       LYS  99  -5.393 -13.540  -0.719
  817   2HE   LYS  99          3HE       LYS  99  -5.425 -12.534  -2.181
  818   1HZ   LYS  99          1HZ       LYS  99  -3.686 -14.861  -1.649
  819   2HZ   LYS  99          2HZ       LYS  99  -4.572 -14.517  -3.018
  820   3HZ   LYS  99          3HZ       LYS  99  -3.240 -13.761  -2.766
  821    H    LYS 100           H        LYS 100  -5.372  -9.213  -4.998
  822    HA   LYS 100           HA       LYS 100  -4.525 -11.356  -6.784
  823   1HB   LYS 100          2HB       LYS 100  -6.948 -10.300  -6.012
  824   2HB   LYS 100          3HB       LYS 100  -6.818  -9.694  -7.647
  825   1HG   LYS 100          2HG       LYS 100  -6.662 -12.630  -6.763
  826   2HG   LYS 100          3HG       LYS 100  -8.068 -11.812  -7.428
  827   1HD   LYS 100          2HD       LYS 100  -7.346 -12.890  -9.308
  828   2HD   LYS 100          3HD       LYS 100  -6.537 -11.340  -9.509
  829   1HE   LYS 100          2HE       LYS 100  -4.686 -12.811  -8.019
  830   2HE   LYS 100          3HE       LYS 100  -5.436 -14.079  -8.975
  831   1HZ   LYS 100          1HZ       LYS 100  -4.103 -11.625  -9.979
  832   2HZ   LYS 100          2HZ       LYS 100  -3.486 -13.071 -10.035
  833   3HZ   LYS 100          3HZ       LYS 100  -4.805 -12.760 -10.981
  834    H    ALA 101           H        ALA 101  -3.699  -8.178  -6.633
  835    HA   ALA 101           HA       ALA 101  -3.005  -7.952  -9.517
  836   1HB   ALA 101          1HB       ALA 101  -2.933  -5.867  -7.305
  837   2HB   ALA 101          2HB       ALA 101  -2.650  -5.590  -9.036
  838   3HB   ALA 101          3HB       ALA 101  -4.253  -6.096  -8.473
  839    H    THR 102           H        THR 102  -1.516  -9.050  -6.673
  840    HA   THR 102           HA       THR 102   1.185  -8.691  -7.923
  841    HB   THR 102           HB       THR 102   1.007  -7.722  -5.651
  842    HG1  THR 102           1HG      THR 102   2.696  -9.886  -6.225
  843   1HG2  THR 102          1HG2      THR 102   0.617 -10.639  -4.826
  844   2HG2  THR 102          2HG2      THR 102   1.277  -9.401  -3.768
  845   3HG2  THR 102          3HG2      THR 102  -0.364  -9.217  -4.396
  846    H    GLU 103           H        GLU 103  -1.266 -10.885  -7.473
  847    HA   GLU 103           HA       GLU 103   0.389 -13.150  -8.405
  848   1HB   GLU 103          2HB       GLU 103  -0.894 -14.729  -7.169
  849   2HB   GLU 103          3HB       GLU 103  -0.435 -13.477  -6.017
  850   1HG   GLU 103          2HG       GLU 103  -2.782 -12.442  -6.635
  851   2HG   GLU 103          3HG       GLU 103  -3.141 -14.024  -7.294
  852    HHA  HEC 104           HHA      HEC 104   5.359   3.278   1.101
  853    HHB  HEC 104           HHB      HEC 104  -0.282   0.281   0.068
  854    HHC  HEC 104           HHC      HEC 104  -3.053   6.029  -1.091
  855    HHD  HEC 104           HHD      HEC 104   2.751   8.740  -1.125
  856   1HMA  HEC 104          1HMA      HEC 104   2.026  -1.241   1.764
  857   2HMA  HEC 104          2HMA      HEC 104   1.291  -1.243   0.140
  858   3HMA  HEC 104          3HMA      HEC 104   3.033  -1.450   0.313
  859   1HAA  HEC 104          1HAA      HEC 104   4.637  -0.448   1.677
  860   2HAA  HEC 104          2HAA      HEC 104   5.200   1.138   2.216
  861   1HBA  HEC 104          1HBA      HEC 104   6.158   1.468  -0.104
  862   2HBA  HEC 104          2HBA      HEC 104   5.628  -0.167  -0.510
  863   1HMB  HEC 104          1HMB      HEC 104  -3.902   0.667  -0.242
  864   2HMB  HEC 104          2HMB      HEC 104  -3.123   0.593  -1.833
  865   3HMB  HEC 104          3HMB      HEC 104  -2.328  -0.097  -0.415
  866    HAB  HEC 104           HAB      HEC 104  -4.478   4.618  -1.269
  867   1HBB  HEC 104          1HBB      HEC 104  -4.873   3.953   1.018
  868   2HBB  HEC 104          2HBB      HEC 104  -6.269   3.628  -0.024
  869   3HBB  HEC 104          3HBB      HEC 104  -5.221   2.297   0.497
  870   1HMC  HEC 104          1HMC      HEC 104  -3.312   8.359  -1.108
  871   2HMC  HEC 104          2HMC      HEC 104  -2.474   9.646  -1.966
  872   3HMC  HEC 104          3HMC      HEC 104  -2.813   8.116  -2.789
  873    HAC  HEC 104           HAC      HEC 104   1.452   9.901  -2.221
  874   1HBC  HEC 104          1HBC      HEC 104   0.464  10.952  -0.269
  875   2HBC  HEC 104          2HBC      HEC 104   0.396  11.986  -1.711
  876   3HBC  HEC 104          3HBC      HEC 104  -1.068  11.162  -1.136
  877   1HMD  HEC 104          1HMD      HEC 104   5.943   8.665   0.279
  878   2HMD  HEC 104          2HMD      HEC 104   6.244   7.962  -1.312
  879   3HMD  HEC 104          3HMD      HEC 104   4.858   9.039  -1.052
  880   1HAD  HEC 104          1HAD      HEC 104   7.281   6.514   0.382
  881   2HAD  HEC 104          2HAD      HEC 104   7.058   4.796   0.665
  882   1HBD  HEC 104          1HBD      HEC 104   6.517   5.095   2.933
  883   2HBD  HEC 104          2HBD      HEC 104   5.935   6.737   2.666
  Start of MODEL   22
    1   1H    THR  -5          H1        THR  -5  -9.223  -5.697  13.349
    2   2H    THR  -5          H2        THR  -5  -9.724  -4.882  12.005
    3   3H    THR  -5          H3        THR  -5  -8.120  -4.845  12.459
    4    HA   THR  -5           HA       THR  -5  -8.537  -6.281  10.567
    5    HB   THR  -5           HB       THR  -5  -6.600  -6.802  11.815
    6    HG1  THR  -5           1HG      THR  -5  -6.681  -9.108  11.728
    7   1HG2  THR  -5          1HG2      THR  -5  -8.205  -8.487  13.782
    8   2HG2  THR  -5          2HG2      THR  -5  -6.453  -8.247  13.733
    9   3HG2  THR  -5          3HG2      THR  -5  -7.498  -6.893  14.149
   10    H    GLU  -4           H        GLU  -4 -10.385  -7.041   9.633
   11    HA   GLU  -4           HA       GLU  -4 -10.583  -9.739  10.341
   12   1HB   GLU  -4          2HB       GLU  -4 -12.663  -8.950  11.602
   13   2HB   GLU  -4          3HB       GLU  -4 -13.342  -8.505  10.018
   14   1HG   GLU  -4          2HG       GLU  -4 -12.630 -10.909   9.274
   15   2HG   GLU  -4          3HG       GLU  -4 -12.333 -11.233  10.973
   16    H    PHE  -3           H        PHE  -3  -9.418  -9.828   8.472
   17    HA   PHE  -3           HA       PHE  -3 -10.448  -9.016   5.898
   18   1HB   PHE  -3          2HB       PHE  -3  -8.048  -9.512   6.242
   19   2HB   PHE  -3          3HB       PHE  -3  -8.442 -11.216   6.486
   20    HD1  PHE  -3           HD1      PHE  -3  -7.626 -12.428   4.569
   21    HD2  PHE  -3           HD2      PHE  -3  -9.616  -8.655   3.979
   22    HE1  PHE  -3           HE1      PHE  -3  -7.564 -12.763   2.112
   23    HE2  PHE  -3           HE2      PHE  -3  -9.627  -9.030   1.548
   24    HZ   PHE  -3           HZ       PHE  -3  -8.641 -11.087   0.596
   25    H    LYS  -2           H        LYS  -2 -12.612  -9.653   6.559
   26    HA   LYS  -2           HA       LYS  -2 -13.616 -12.360   6.292
   27   1HB   LYS  -2          2HB       LYS  -2 -14.526 -10.146   7.492
   28   2HB   LYS  -2          3HB       LYS  -2 -15.338  -9.891   5.948
   29   1HG   LYS  -2          2HG       LYS  -2 -16.373 -12.202   6.216
   30   2HG   LYS  -2          3HG       LYS  -2 -15.546 -12.330   7.768
   31   1HD   LYS  -2          2HD       LYS  -2 -16.769 -10.027   8.299
   32   2HD   LYS  -2          3HD       LYS  -2 -17.805 -10.489   6.945
   33   1HE   LYS  -2          2HE       LYS  -2 -18.929 -11.264   8.867
   34   2HE   LYS  -2          3HE       LYS  -2 -18.176 -12.719   8.181
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.921 -11.097  10.355
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.789 -12.488  10.646
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.359 -12.425   9.825
   38    H    ALA  -1           H        ALA  -1 -12.034 -11.573   4.111
   39    HA   ALA  -1           HA       ALA  -1 -11.700 -11.098   1.972
   40   1HB   ALA  -1          1HB       ALA  -1 -14.270 -12.646   1.526
   41   2HB   ALA  -1          2HB       ALA  -1 -12.991 -12.365   0.329
   42   3HB   ALA  -1          3HB       ALA  -1 -12.653 -13.349   1.764
   43    H    GLY   1           H        GLY   1 -12.380 -10.120  -0.097
   44   1HA   GLY   1          1HA       GLY   1 -14.679  -8.300  -0.040
   45   2HA   GLY   1          2HA       GLY   1 -13.053  -7.654  -0.368
   46    H    SER   2           H        SER   2 -13.650  -7.130  -2.506
   47    HA   SER   2           HA       SER   2 -13.546  -9.471  -4.367
   48   1HB   SER   2          2HB       SER   2 -15.915  -8.833  -4.251
   49   2HB   SER   2          3HB       SER   2 -15.478  -7.185  -4.747
   50    HG   SER   2           HG       SER   2 -15.526  -9.553  -6.189
   51    H    ALA   3           H        ALA   3 -12.002  -9.290  -5.832
   52    HA   ALA   3           HA       ALA   3 -10.183  -7.217  -5.832
   53   1HB   ALA   3          1HB       ALA   3 -10.685  -9.211  -8.077
   54   2HB   ALA   3          2HB       ALA   3  -9.190  -8.290  -7.804
   55   3HB   ALA   3          3HB       ALA   3  -9.706  -9.495  -6.615
   56    H    LYS   4           H        LYS   4 -13.001  -7.388  -8.049
   57    HA   LYS   4           HA       LYS   4 -12.061  -5.098  -9.599
   58   1HB   LYS   4          2HB       LYS   4 -14.145  -5.078 -10.739
   59   2HB   LYS   4          3HB       LYS   4 -13.632  -6.755 -10.571
   60   1HG   LYS   4          2HG       LYS   4 -15.265  -7.090  -8.737
   61   2HG   LYS   4          3HG       LYS   4 -15.730  -5.381  -8.816
   62   1HD   LYS   4          2HD       LYS   4 -16.472  -5.686 -11.167
   63   2HD   LYS   4          3HD       LYS   4 -16.065  -7.411 -11.065
   64   1HE   LYS   4          2HE       LYS   4 -17.702  -7.694  -9.226
   65   2HE   LYS   4          3HE       LYS   4 -18.083  -5.970  -9.280
   66   1HZ   LYS   4          1HZ       LYS   4 -18.553  -7.880 -11.507
   67   2HZ   LYS   4          2HZ       LYS   4 -19.713  -7.252 -10.532
   68   3HZ   LYS   4          3HZ       LYS   4 -18.885  -6.271 -11.554
   69    H    LYS   5           H        LYS   5 -13.578  -5.365  -6.712
   70    HA   LYS   5           HA       LYS   5 -14.807  -2.675  -6.489
   71   1HB   LYS   5          2HB       LYS   5 -15.474  -5.003  -5.343
   72   2HB   LYS   5          3HB       LYS   5 -14.327  -4.496  -4.113
   73   1HG   LYS   5          2HG       LYS   5 -16.832  -3.022  -5.029
   74   2HG   LYS   5          3HG       LYS   5 -16.616  -3.945  -3.538
   75   1HD   LYS   5          2HD       LYS   5 -14.765  -2.291  -2.911
   76   2HD   LYS   5          3HD       LYS   5 -15.326  -1.294  -4.273
   77   1HE   LYS   5          2HE       LYS   5 -17.602  -1.241  -3.310
   78   2HE   LYS   5          3HE       LYS   5 -17.070  -2.299  -1.983
   79   1HZ   LYS   5          1HZ       LYS   5 -15.921   0.371  -2.518
   80   2HZ   LYS   5          2HZ       LYS   5 -17.047   0.067  -1.353
   81   3HZ   LYS   5          3HZ       LYS   5 -15.561  -0.638  -1.263
   82    H    GLY   6           H        GLY   6 -12.025  -4.407  -5.035
   83   1HA   GLY   6          1HA       GLY   6 -10.749  -2.127  -3.857
   84   2HA   GLY   6          2HA       GLY   6  -9.947  -3.606  -4.370
   85    H    ALA   7           H        ALA   7 -10.291  -3.606  -7.148
   86    HA   ALA   7           HA       ALA   7  -8.340  -1.901  -8.123
   87   1HB   ALA   7          1HB       ALA   7 -10.689  -3.095  -9.668
   88   2HB   ALA   7          2HB       ALA   7  -9.158  -2.527 -10.358
   89   3HB   ALA   7          3HB       ALA   7  -9.174  -3.932  -9.285
   90    H    THR   8           H        THR   8 -11.868  -1.383  -8.390
   91    HA   THR   8           HA       THR   8 -11.617   1.176  -9.740
   92    HB   THR   8           HB       THR   8 -14.092   1.402  -9.119
   93    HG1  THR   8           1HG      THR   8 -13.854  -1.360  -8.558
   94   1HG2  THR   8          1HG2      THR   8 -13.198  -1.061 -10.682
   95   2HG2  THR   8          2HG2      THR   8 -14.792  -0.279 -10.772
   96   3HG2  THR   8          3HG2      THR   8 -13.351   0.591 -11.320
   97    H    LEU   9           H        LEU   9 -11.739   0.358  -6.294
   98    HA   LEU   9           HA       LEU   9 -12.127   3.050  -5.402
   99   1HB   LEU   9          2HB       LEU   9 -12.698   0.834  -4.265
  100   2HB   LEU   9          3HB       LEU   9 -10.999   0.644  -3.863
  101    HG   LEU   9           HG       LEU   9 -12.254   3.258  -3.210
  102   1HD1  LEU   9          1HD1      LEU   9 -13.008   0.770  -1.645
  103   2HD1  LEU   9          2HD1      LEU   9 -13.354   2.436  -1.143
  104   3HD1  LEU   9          3HD1      LEU   9 -14.106   1.789  -2.619
  105   1HD2  LEU   9          1HD2      LEU   9  -9.908   2.558  -2.475
  106   2HD2  LEU   9          2HD2      LEU   9 -10.969   3.173  -1.187
  107   3HD2  LEU   9          3HD2      LEU   9 -10.699   1.437  -1.347
  108    H    PHE  10           H        PHE  10  -9.247   0.919  -5.447
  109    HA   PHE  10           HA       PHE  10  -7.178   2.655  -4.781
  110   1HB   PHE  10          2HB       PHE  10  -6.848   0.294  -5.081
  111   2HB   PHE  10          3HB       PHE  10  -7.412   0.348  -6.741
  112    HD1  PHE  10           HD1      PHE  10  -5.978   0.954  -8.574
  113    HD2  PHE  10           HD2      PHE  10  -4.557   1.073  -4.510
  114    HE1  PHE  10           HE1      PHE  10  -3.612   1.070  -9.386
  115    HE2  PHE  10           HE2      PHE  10  -2.233   1.347  -5.330
  116    HZ   PHE  10           HZ       PHE  10  -1.760   1.347  -7.769
  117    H    LYS  11           H        LYS  11  -8.740   2.289  -7.928
  118    HA   LYS  11           HA       LYS  11  -7.066   3.867  -9.553
  119   1HB   LYS  11          2HB       LYS  11  -8.872   2.359 -10.310
  120   2HB   LYS  11          3HB       LYS  11 -10.084   3.520  -9.740
  121   1HG   LYS  11          2HG       LYS  11  -9.296   5.179 -11.379
  122   2HG   LYS  11          3HG       LYS  11  -7.982   4.090 -11.876
  123   1HD   LYS  11          2HD       LYS  11  -9.649   2.426 -12.638
  124   2HD   LYS  11          3HD       LYS  11 -10.967   3.514 -12.136
  125   1HE   LYS  11          2HE       LYS  11 -10.163   5.245 -13.703
  126   2HE   LYS  11          3HE       LYS  11  -8.794   4.224 -14.162
  127   1HZ   LYS  11          1HZ       LYS  11 -11.645   3.519 -14.609
  128   2HZ   LYS  11          2HZ       LYS  11 -10.615   4.071 -15.765
  129   3HZ   LYS  11          3HZ       LYS  11 -10.348   2.610 -15.057
  130    H    THR  12           H        THR  12  -9.557   5.061  -7.321
  131    HA   THR  12           HA       THR  12  -8.751   7.871  -7.991
  132    HB   THR  12           HB       THR  12 -11.083   8.512  -7.346
  133    HG1  THR  12           1HG      THR  12 -12.607   6.833  -7.389
  134   1HG2  THR  12          1HG2      THR  12 -10.965   6.545  -9.664
  135   2HG2  THR  12          2HG2      THR  12 -12.119   7.877  -9.439
  136   3HG2  THR  12          3HG2      THR  12 -10.407   8.234  -9.735
  137    H    ARG  13           H        ARG  13  -7.901   5.876  -5.839
  138    HA   ARG  13           HA       ARG  13  -7.941   7.851  -3.559
  139   1HB   ARG  13          2HB       ARG  13  -8.154   4.822  -3.388
  140   2HB   ARG  13          3HB       ARG  13  -8.000   5.877  -2.002
  141   1HG   ARG  13          2HG       ARG  13 -10.377   6.161  -3.899
  142   2HG   ARG  13          3HG       ARG  13 -10.291   4.902  -2.692
  143   1HD   ARG  13          2HD       ARG  13  -9.805   6.864  -1.012
  144   2HD   ARG  13          3HD       ARG  13 -10.546   7.860  -2.273
  145    HE   ARG  13           HE       ARG  13 -12.522   6.350  -2.171
  146   1HH1  ARG  13          1HH2      ARG  13 -10.704   6.673   0.793
  147   2HH1  ARG  13          2HH2      ARG  13 -11.769   5.569   1.654
  148   1HH2  ARG  13          1HH1      ARG  13 -13.894   5.049  -0.930
  149   2HH2  ARG  13          2HH1      ARG  13 -13.485   4.618   0.697
  150    H    CYS  14           H        CYS  14  -6.059   5.455  -5.325
  151    HA   CYS  14           HA       CYS  14  -3.636   6.082  -3.669
  152   1HB   CYS  14          2HB       CYS  14  -4.291   3.490  -4.999
  153   2HB   CYS  14          3HB       CYS  14  -3.064   3.759  -3.776
  154    H    LEU  15           H        LEU  15  -4.794   4.947  -6.877
  155    HA   LEU  15           HA       LEU  15  -2.421   4.779  -8.288
  156   1HB   LEU  15          2HB       LEU  15  -4.664   4.017  -8.981
  157   2HB   LEU  15          3HB       LEU  15  -5.160   5.697  -9.195
  158    HG   LEU  15           HG       LEU  15  -3.443   5.945 -10.997
  159   1HD1  LEU  15          1HD1      LEU  15  -3.132   2.929 -10.692
  160   2HD1  LEU  15          2HD1      LEU  15  -2.486   3.909 -12.023
  161   3HD1  LEU  15          3HD1      LEU  15  -1.876   4.151 -10.387
  162   1HD2  LEU  15          1HD2      LEU  15  -5.802   5.414 -11.501
  163   2HD2  LEU  15          2HD2      LEU  15  -4.694   4.691 -12.684
  164   3HD2  LEU  15          3HD2      LEU  15  -5.422   3.672 -11.425
  165    H    GLN  16           H        GLN  16  -4.097   7.705  -7.370
  166    HA   GLN  16           HA       GLN  16  -2.854   9.699  -8.862
  167   1HB   GLN  16          2HB       GLN  16  -3.241  11.160  -6.973
  168   2HB   GLN  16          3HB       GLN  16  -4.615  10.091  -7.247
  169   1HG   GLN  16          2HG       GLN  16  -3.723   8.617  -5.357
  170   2HG   GLN  16          3HG       GLN  16  -2.545   9.894  -5.021
  171   1HE2  GLN  16          2HE2      GLN  16  -3.295  11.802  -3.854
  172   2HE2  GLN  16          1HE2      GLN  16  -5.021  11.906  -3.441
  173    H    CYS  17           H        CYS  17  -1.375   7.829  -6.175
  174    HA   CYS  17           HA       CYS  17   1.209   9.277  -6.639
  175   1HB   CYS  17          2HB       CYS  17   0.142   7.833  -4.213
  176   2HB   CYS  17          3HB       CYS  17   1.759   8.512  -4.348
  177    H    HIS  18           H        HIS  18  -0.273   6.102  -6.792
  178    HA   HIS  18           HA       HIS  18   2.401   4.754  -6.739
  179   1HB   HIS  18          1HB       HIS  18  -0.411   3.977  -5.891
  180   2HB   HIS  18          2HB       HIS  18   0.772   2.742  -6.262
  181    HD1  HIS  18           HD1      HIS  18   3.130   2.869  -4.787
  182    HD2  HIS  18           HD2      HIS  18  -0.290   4.912  -3.421
  183    HE1  HIS  18           HE1      HIS  18   3.497   3.332  -2.304
  184    H    THR  19           H        THR  19   2.675   2.789  -7.953
  185    HA   THR  19           HA       THR  19   1.061   2.474 -10.454
  186    HB   THR  19           HB       THR  19   3.190   1.866 -11.529
  187    HG1  THR  19           1HG      THR  19   4.938   3.255 -10.576
  188   1HG2  THR  19          1HG2      THR  19   2.873   4.798 -10.769
  189   2HG2  THR  19          2HG2      THR  19   3.590   4.142 -12.258
  190   3HG2  THR  19          3HG2      THR  19   1.859   3.956 -11.967
  191    H    VAL  20           H        VAL  20   0.009   0.747 -10.207
  192    HA   VAL  20           HA       VAL  20   0.844  -1.408  -8.489
  193    HB   VAL  20           HB       VAL  20  -1.474  -0.859  -8.738
  194   1HG1  VAL  20          1HG1      VAL  20  -1.493  -2.029 -11.536
  195   2HG1  VAL  20          2HG1      VAL  20  -2.833  -1.329 -10.651
  196   3HG1  VAL  20          3HG1      VAL  20  -1.528  -0.279 -11.204
  197   1HG2  VAL  20          1HG2      VAL  20  -0.819  -3.133  -8.067
  198   2HG2  VAL  20          2HG2      VAL  20  -2.367  -3.114  -8.933
  199   3HG2  VAL  20          3HG2      VAL  20  -0.901  -3.656  -9.764
  200    H    GLU  21           H        GLU  21   0.574  -1.290 -12.075
  201    HA   GLU  21           HA       GLU  21   1.569  -3.953 -12.436
  202   1HB   GLU  21          2HB       GLU  21   1.773  -1.808 -14.538
  203   2HB   GLU  21          3HB       GLU  21   1.493  -3.525 -14.751
  204   1HG   GLU  21          2HG       GLU  21  -0.810  -3.308 -13.911
  205   2HG   GLU  21          3HG       GLU  21  -0.535  -1.599 -13.536
  206    H    LYS  22           H        LYS  22   3.617  -4.583 -13.665
  207    HA   LYS  22           HA       LYS  22   5.928  -3.169 -12.741
  208   1HB   LYS  22          2HB       LYS  22   5.705  -5.617 -13.138
  209   2HB   LYS  22          3HB       LYS  22   5.997  -5.283 -14.860
  210   1HG   LYS  22          2HG       LYS  22   8.178  -4.534 -14.461
  211   2HG   LYS  22          3HG       LYS  22   7.836  -3.942 -12.853
  212   1HD   LYS  22          2HD       LYS  22   7.603  -6.319 -12.040
  213   2HD   LYS  22          3HD       LYS  22   8.078  -6.833 -13.644
  214   1HE   LYS  22          2HE       LYS  22  10.071  -6.845 -12.185
  215   2HE   LYS  22          3HE       LYS  22  10.255  -5.485 -13.297
  216   1HZ   LYS  22          1HZ       LYS  22  10.367  -5.336 -10.541
  217   2HZ   LYS  22          2HZ       LYS  22  10.391  -4.140 -11.512
  218   3HZ   LYS  22          3HZ       LYS  22   8.907  -4.627 -10.918
  219    H    GLY  23           H        GLY  23   3.970  -2.635 -15.536
  220   1HA   GLY  23          1HA       GLY  23   6.082  -1.408 -17.167
  221   2HA   GLY  23          2HA       GLY  23   4.361  -1.474 -17.537
  222    H    GLY  24           H        GLY  24   4.148  -0.223 -14.592
  223   1HA   GLY  24          1HA       GLY  24   4.231   2.613 -15.522
  224   2HA   GLY  24          2HA       GLY  24   3.307   1.982 -14.157
  225    HA   PRO  25           HA       PRO  25   7.987   2.589 -13.013
  226   1HB   PRO  25          2HB       PRO  25   8.790   5.205 -13.218
  227   2HB   PRO  25          3HB       PRO  25   8.839   4.062 -14.596
  228   1HG   PRO  25          2HG       PRO  25   6.657   6.067 -13.923
  229   2HG   PRO  25          3HG       PRO  25   7.500   5.843 -15.493
  230   1HD   PRO  25          2HD       PRO  25   5.088   4.688 -14.994
  231   2HD   PRO  25          3HD       PRO  25   6.346   3.814 -15.922
  232    H    HIS  26           H        HIS  26   8.961   3.634 -11.084
  233    HA   HIS  26           HA       HIS  26   7.236   4.214  -8.864
  234   1HB   HIS  26          2HB       HIS  26  10.174   4.760  -9.445
  235   2HB   HIS  26          3HB       HIS  26   9.386   5.292  -7.968
  236    HD1  HIS  26           HD1      HIS  26   9.376   1.700  -9.628
  237    HD2  HIS  26           HD2      HIS  26   9.947   3.795  -6.016
  238    HE1  HIS  26           HE1      HIS  26  10.063   0.000  -7.920
  239    H    LYS  27           H        LYS  27   6.456   6.103  -8.069
  240    HA   LYS  27           HA       LYS  27   6.697   8.555  -9.772
  241   1HB   LYS  27          2HB       LYS  27   4.733   7.013 -10.236
  242   2HB   LYS  27          3HB       LYS  27   4.153   7.345  -8.616
  243   1HG   LYS  27          2HG       LYS  27   4.093   9.843  -9.328
  244   2HG   LYS  27          3HG       LYS  27   4.447   9.269 -10.967
  245   1HD   LYS  27          2HD       LYS  27   2.415   7.784 -10.832
  246   2HD   LYS  27          3HD       LYS  27   2.070   8.458  -9.225
  247   1HE   LYS  27          2HE       LYS  27   2.007  10.755 -10.296
  248   2HE   LYS  27          3HE       LYS  27   2.132   9.961 -11.876
  249   1HZ   LYS  27          1HZ       LYS  27  -0.023   9.625  -9.864
  250   2HZ   LYS  27          2HZ       LYS  27  -0.183  10.347 -11.323
  251   3HZ   LYS  27          3HZ       LYS  27   0.064   8.710 -11.220
  252    H    VAL  28           H        VAL  28   4.413   8.984  -7.411
  253    HA   VAL  28           HA       VAL  28   6.150  10.607  -5.653
  254    HB   VAL  28           HB       VAL  28   3.189   9.898  -5.503
  255   1HG1  VAL  28          1HG1      VAL  28   4.778  11.940  -3.893
  256   2HG1  VAL  28          2HG1      VAL  28   3.007  11.765  -3.884
  257   3HG1  VAL  28          3HG1      VAL  28   4.021  10.466  -3.255
  258   1HG2  VAL  28          1HG2      VAL  28   3.688  11.334  -7.443
  259   2HG2  VAL  28          2HG2      VAL  28   2.814  12.241  -6.209
  260   3HG2  VAL  28          3HG2      VAL  28   4.567  12.464  -6.393
  261    H    GLY  29           H        GLY  29   4.247   7.628  -5.510
  262   1HA   GLY  29          1HA       GLY  29   5.872   6.636  -3.215
  263   2HA   GLY  29          2HA       GLY  29   4.267   6.029  -3.651
  264    HA   PRO  30           HA       PRO  30   7.650   3.670  -5.907
  265   1HB   PRO  30          2HB       PRO  30   7.677   1.304  -4.519
  266   2HB   PRO  30          3HB       PRO  30   8.605   2.733  -3.982
  267   1HG   PRO  30          2HG       PRO  30   5.837   1.848  -3.074
  268   2HG   PRO  30          3HG       PRO  30   7.255   2.261  -2.054
  269   1HD   PRO  30          2HD       PRO  30   5.321   4.098  -2.590
  270   2HD   PRO  30          3HD       PRO  30   7.020   4.568  -2.499
  271    H    ASN  31           H        ASN  31   7.420   1.379  -6.863
  272    HA   ASN  31           HA       ASN  31   4.818   0.805  -7.964
  273   1HB   ASN  31          2HB       ASN  31   7.539  -0.546  -7.760
  274   2HB   ASN  31          3HB       ASN  31   6.157  -1.467  -8.297
  275   1HD2  ASN  31          2HD2      ASN  31   4.702  -0.049 -10.005
  276   2HD2  ASN  31          1HD2      ASN  31   5.742   0.473 -11.309
  277    H    LEU  32           H        LEU  32   3.516  -1.105  -7.437
  278    HA   LEU  32           HA       LEU  32   3.811  -2.058  -4.599
  279   1HB   LEU  32          2HB       LEU  32   1.308  -1.537  -6.223
  280   2HB   LEU  32          3HB       LEU  32   1.352  -2.271  -4.631
  281    HG   LEU  32           HG       LEU  32   2.275   0.556  -5.257
  282   1HD1  LEU  32          1HD1      LEU  32  -0.184  -0.472  -3.774
  283   2HD1  LEU  32          2HD1      LEU  32   0.262   1.227  -4.020
  284   3HD1  LEU  32          3HD1      LEU  32  -0.171   0.216  -5.416
  285   1HD2  LEU  32          1HD2      LEU  32   3.507  -0.278  -3.308
  286   2HD2  LEU  32          2HD2      LEU  32   2.234   0.795  -2.731
  287   3HD2  LEU  32          3HD2      LEU  32   2.024  -0.959  -2.610
  288    H    HIS  33           H        HIS  33   3.569  -3.453  -7.809
  289    HA   HIS  33           HA       HIS  33   2.838  -6.130  -7.052
  290   1HB   HIS  33          2HB       HIS  33   3.996  -6.755  -9.082
  291   2HB   HIS  33          3HB       HIS  33   2.864  -5.447  -9.361
  292    HD1  HIS  33           HD1      HIS  33   3.998  -3.007  -9.952
  293    HD2  HIS  33           HD2      HIS  33   6.515  -6.335  -9.719
  294    HE1  HIS  33           HE1      HIS  33   6.318  -2.255 -10.785
  295    H    GLY  34           H        GLY  34   3.766  -7.131  -5.575
  296   1HA   GLY  34          1HA       GLY  34   5.517  -8.558  -4.761
  297   2HA   GLY  34          2HA       GLY  34   6.718  -7.437  -5.379
  298    H    ILE  35           H        ILE  35   4.471  -5.626  -3.346
  299    HA   ILE  35           HA       ILE  35   6.480  -5.494  -1.310
  300    HB   ILE  35           HB       ILE  35   5.072  -4.141  -0.083
  301   1HG1  ILE  35          2HG1      ILE  35   2.922  -5.380  -0.193
  302   2HG1  ILE  35          3HG1      ILE  35   2.863  -3.643  -0.287
  303   1HG2  ILE  35          1HG2      ILE  35   4.759  -3.454  -3.010
  304   2HG2  ILE  35          2HG2      ILE  35   4.561  -2.336  -1.644
  305   3HG2  ILE  35          3HG2      ILE  35   6.130  -3.092  -1.947
  306   1HD1  ILE  35          1HD1      ILE  35   2.514  -5.423  -2.684
  307   2HD1  ILE  35          2HD1      ILE  35   1.218  -4.653  -1.743
  308   3HD1  ILE  35          3HD1      ILE  35   2.355  -3.636  -2.616
  309    H    PHE  36           H        PHE  36   3.669  -7.484  -1.687
  310    HA   PHE  36           HA       PHE  36   3.674  -8.904   0.838
  311   1HB   PHE  36          2HB       PHE  36   2.639  -9.587  -1.942
  312   2HB   PHE  36          3HB       PHE  36   2.452 -10.632  -0.552
  313    HD1  PHE  36           HD1      PHE  36   0.681 -10.355   0.994
  314    HD2  PHE  36           HD2      PHE  36   1.525  -7.227  -1.833
  315    HE1  PHE  36           HE1      PHE  36  -1.368  -9.168   1.668
  316    HE2  PHE  36           HE2      PHE  36  -0.544  -6.042  -1.158
  317    HZ   PHE  36           HZ       PHE  36  -1.979  -6.999   0.641
  318    H    GLY  37           H        GLY  37   5.463  -9.949   1.493
  319   1HA   GLY  37          1HA       GLY  37   7.041 -11.809   1.296
  320   2HA   GLY  37          2HA       GLY  37   7.086 -11.570  -0.447
  321    H    ARG  38           H        ARG  38   7.099  -8.527   0.950
  322    HA   ARG  38           HA       ARG  38  10.024  -8.406   1.395
  323   1HB   ARG  38          2HB       ARG  38   8.929  -7.469  -0.895
  324   2HB   ARG  38          3HB       ARG  38   8.568  -6.085   0.111
  325   1HG   ARG  38          2HG       ARG  38  10.619  -5.609  -0.963
  326   2HG   ARG  38          3HG       ARG  38  11.066  -6.016   0.688
  327   1HD   ARG  38          2HD       ARG  38  11.321  -8.470  -0.312
  328   2HD   ARG  38          3HD       ARG  38  11.407  -7.570  -1.833
  329    HE   ARG  38           HE       ARG  38  13.145  -6.472   0.257
  330   1HH1  ARG  38          1HH2      ARG  38  13.119  -9.067  -2.040
  331   2HH1  ARG  38          2HH2      ARG  38  14.857  -9.204  -2.070
  332   1HH2  ARG  38          1HH1      ARG  38  15.170  -6.638   0.281
  333   2HH2  ARG  38          2HH1      ARG  38  16.079  -7.741  -0.747
  334    H    HIS  39           H        HIS  39  10.397  -6.008   2.308
  335    HA   HIS  39           HA       HIS  39   8.730  -5.712   4.733
  336   1HB   HIS  39          2HB       HIS  39  11.753  -5.676   4.420
  337   2HB   HIS  39          3HB       HIS  39  10.916  -5.036   5.832
  338    HD1  HIS  39           HD1      HIS  39  12.069  -8.354   4.423
  339    HD2  HIS  39           HD2      HIS  39   9.440  -6.781   7.291
  340    HE1  HIS  39           HE1      HIS  39  11.370 -10.317   5.914
  341    H    SER  40           H        SER  40   8.241  -3.606   5.259
  342    HA   SER  40           HA       SER  40   8.013  -1.675   3.412
  343   1HB   SER  40          2HB       SER  40   7.497  -0.076   5.109
  344   2HB   SER  40          3HB       SER  40   6.896  -1.666   5.590
  345    HG   SER  40           HG       SER  40   9.013  -0.147   6.630
  346    H    GLY  41           H        GLY  41   9.037  -0.289   2.336
  347   1HA   GLY  41          1HA       GLY  41  10.700   1.361   1.860
  348   2HA   GLY  41          2HA       GLY  41  11.667   0.812   3.213
  349    H    GLN  42           H        GLN  42  10.551  -1.429   0.691
  350    HA   GLN  42           HA       GLN  42  13.374  -1.622  -0.323
  351   1HB   GLN  42          2HB       GLN  42  11.650  -3.887   0.696
  352   2HB   GLN  42          3HB       GLN  42  13.181  -4.099  -0.160
  353   1HG   GLN  42          2HG       GLN  42  14.270  -2.653   1.611
  354   2HG   GLN  42          3HG       GLN  42  12.775  -2.794   2.542
  355   1HE2  GLN  42          2HE2      GLN  42  13.924  -3.870   4.244
  356   2HE2  GLN  42          1HE2      GLN  42  14.472  -5.532   4.030
  357    H    ALA  43           H        ALA  43  10.827  -0.613  -1.777
  358    HA   ALA  43           HA       ALA  43  10.649  -2.429  -4.019
  359   1HB   ALA  43          1HB       ALA  43  10.074   0.549  -3.892
  360   2HB   ALA  43          2HB       ALA  43   9.528  -0.589  -5.145
  361   3HB   ALA  43          3HB       ALA  43   8.920  -0.757  -3.503
  362    H    GLU  44           H        GLU  44  11.139  -1.245  -6.242
  363    HA   GLU  44           HA       GLU  44  13.748  -2.294  -6.452
  364   1HB   GLU  44          2HB       GLU  44  11.564  -2.667  -7.785
  365   2HB   GLU  44          3HB       GLU  44  12.022  -1.281  -8.749
  366   1HG   GLU  44          2HG       GLU  44  13.975  -2.456  -9.590
  367   2HG   GLU  44          3HG       GLU  44  13.834  -3.703  -8.346
  368    H    GLY  45           H        GLY  45  14.855  -0.489  -5.325
  369   1HA   GLY  45          1HA       GLY  45  16.962   0.561  -5.822
  370   2HA   GLY  45          2HA       GLY  45  16.396   0.960  -7.437
  371    H    TYR  46           H        TYR  46  14.221   1.747  -4.936
  372    HA   TYR  46           HA       TYR  46  14.743   4.674  -5.381
  373   1HB   TYR  46          2HB       TYR  46  12.799   3.518  -6.437
  374   2HB   TYR  46          3HB       TYR  46  12.162   3.208  -4.832
  375    HD1  TYR  46           HD1      TYR  46  12.275   5.524  -7.583
  376    HD2  TYR  46           HD2      TYR  46  11.665   5.243  -3.335
  377    HE1  TYR  46           HE1      TYR  46  10.866   7.582  -7.654
  378    HE2  TYR  46           HE2      TYR  46  10.279   7.327  -3.401
  379    HH   TYR  46           HH       TYR  46   9.064   8.728  -6.320
  380    H    SER  47           H        SER  47  14.902   6.098  -3.750
  381    HA   SER  47           HA       SER  47  15.145   5.203  -1.021
  382   1HB   SER  47          2HB       SER  47  15.281   7.965  -2.269
  383   2HB   SER  47          3HB       SER  47  15.644   7.603  -0.563
  384    HG   SER  47           HG       SER  47  17.532   7.512  -1.886
  385    H    TYR  48           H        TYR  48  13.778   5.209   0.586
  386    HA   TYR  48           HA       TYR  48  11.074   6.372   0.330
  387   1HB   TYR  48          2HB       TYR  48  12.408   4.319   2.106
  388   2HB   TYR  48          3HB       TYR  48  10.804   4.926   2.464
  389    HD1  TYR  48           HD1      TYR  48   8.901   4.168   1.467
  390    HD2  TYR  48           HD2      TYR  48  12.730   3.147  -0.261
  391    HE1  TYR  48           HE1      TYR  48   7.862   2.267   0.264
  392    HE2  TYR  48           HE2      TYR  48  11.654   1.350  -1.563
  393    HH   TYR  48           HH       TYR  48   8.531   0.077  -0.642
  394    H    THR  49           H        THR  49  11.743   6.026   3.530
  395    HA   THR  49           HA       THR  49  12.807   8.674   4.241
  396    HB   THR  49           HB       THR  49  11.091   8.716   6.106
  397    HG1  THR  49           1HG      THR  49   9.506   7.070   4.454
  398   1HG2  THR  49          1HG2      THR  49   9.923   9.070   3.333
  399   2HG2  THR  49          2HG2      THR  49   9.249   9.697   4.854
  400   3HG2  THR  49          3HG2      THR  49  10.818  10.279   4.274
  401    H    ASP  50           H        ASP  50  13.674   8.608   6.387
  402    HA   ASP  50           HA       ASP  50  14.933   6.288   7.347
  403   1HB   ASP  50          2HB       ASP  50  15.407   8.660   7.967
  404   2HB   ASP  50          3HB       ASP  50  13.906   8.703   8.901
  405    H    ALA  51           H        ALA  51  11.783   7.654   8.315
  406    HA   ALA  51           HA       ALA  51  11.128   5.815  10.334
  407   1HB   ALA  51          1HB       ALA  51   9.277   7.460   8.551
  408   2HB   ALA  51          2HB       ALA  51   8.888   6.783  10.150
  409   3HB   ALA  51          3HB       ALA  51  10.105   8.051  10.011
  410    H    ASN  52           H        ASN  52  10.084   5.688   6.831
  411    HA   ASN  52           HA       ASN  52   8.480   3.326   7.250
  412   1HB   ASN  52          2HB       ASN  52   8.225   4.877   5.318
  413   2HB   ASN  52          3HB       ASN  52   9.765   4.302   4.660
  414   1HD2  ASN  52          2HD2      ASN  52   9.327   2.793   2.962
  415   2HD2  ASN  52          1HD2      ASN  52   7.963   1.659   3.060
  416    H    ILE  53           H        ILE  53  11.861   3.756   6.377
  417    HA   ILE  53           HA       ILE  53  12.441   0.972   5.853
  418    HB   ILE  53           HB       ILE  53  14.161   3.336   6.599
  419   1HG1  ILE  53          2HG1      ILE  53  13.837   1.977   3.868
  420   2HG1  ILE  53          3HG1      ILE  53  12.921   3.394   4.358
  421   1HG2  ILE  53          1HG2      ILE  53  15.099   0.614   5.545
  422   2HG2  ILE  53          2HG2      ILE  53  16.145   2.026   5.802
  423   3HG2  ILE  53          3HG2      ILE  53  15.398   1.244   7.178
  424   1HD1  ILE  53          1HD1      ILE  53  15.926   3.262   3.934
  425   2HD1  ILE  53          2HD1      ILE  53  14.725   4.164   3.003
  426   3HD1  ILE  53          3HD1      ILE  53  15.089   4.649   4.671
  427    H    LYS  54           H        LYS  54  13.212   3.023   8.738
  428    HA   LYS  54           HA       LYS  54  14.022   0.845  10.412
  429   1HB   LYS  54          2HB       LYS  54  12.831   3.578  11.055
  430   2HB   LYS  54          3HB       LYS  54  13.471   2.455  12.269
  431   1HG   LYS  54          2HG       LYS  54  15.660   2.427  11.080
  432   2HG   LYS  54          3HG       LYS  54  15.067   3.649   9.959
  433   1HD   LYS  54          2HD       LYS  54  14.657   5.208  11.797
  434   2HD   LYS  54          3HD       LYS  54  15.223   4.020  12.991
  435   1HE   LYS  54          2HE       LYS  54  17.469   4.137  12.240
  436   2HE   LYS  54          3HE       LYS  54  16.982   4.772  10.652
  437   1HZ   LYS  54          1HZ       LYS  54  16.726   6.368  13.129
  438   2HZ   LYS  54          2HZ       LYS  54  17.901   6.543  11.942
  439   3HZ   LYS  54          3HZ       LYS  54  16.352   6.788  11.586
  440    H    LYS  55           H        LYS  55  10.944   1.364   9.167
  441    HA   LYS  55           HA       LYS  55   9.670  -0.117  11.437
  442   1HB   LYS  55          2HB       LYS  55   8.611   1.819   9.792
  443   2HB   LYS  55          3HB       LYS  55   7.987   0.371   9.039
  444   1HG   LYS  55          2HG       LYS  55   7.790   0.855  12.054
  445   2HG   LYS  55          3HG       LYS  55   6.663   1.620  10.958
  446   1HD   LYS  55          2HD       LYS  55   5.755  -0.483  10.216
  447   2HD   LYS  55          3HD       LYS  55   7.021  -1.387  11.036
  448   1HE   LYS  55          2HE       LYS  55   5.089  -1.616  12.371
  449   2HE   LYS  55          3HE       LYS  55   6.237  -0.588  13.237
  450   1HZ   LYS  55          1HZ       LYS  55   3.893   0.374  11.691
  451   2HZ   LYS  55          2HZ       LYS  55   3.966   0.305  13.313
  452   3HZ   LYS  55          3HZ       LYS  55   4.920   1.358  12.478
  453    H    ASN  56           H        ASN  56  11.214  -0.825   8.470
  454    HA   ASN  56           HA       ASN  56  10.666  -2.563   6.907
  455   1HB   ASN  56          2HB       ASN  56  12.627  -3.199   9.099
  456   2HB   ASN  56          3HB       ASN  56  12.263  -4.459   7.946
  457   1HD2  ASN  56          2HD2      ASN  56  12.035  -1.977   5.738
  458   2HD2  ASN  56          1HD2      ASN  56  13.765  -1.811   5.580
  459    H    VAL  57           H        VAL  57   8.386  -2.643   7.424
  460    HA   VAL  57           HA       VAL  57   7.496  -4.976   8.974
  461    HB   VAL  57           HB       VAL  57   6.525  -2.362   8.654
  462   1HG1  VAL  57          1HG1      VAL  57   4.499  -4.235   7.377
  463   2HG1  VAL  57          2HG1      VAL  57   4.203  -2.579   7.928
  464   3HG1  VAL  57          3HG1      VAL  57   5.320  -2.881   6.598
  465   1HG2  VAL  57          1HG2      VAL  57   6.373  -3.761  10.638
  466   2HG2  VAL  57          2HG2      VAL  57   4.770  -3.147  10.203
  467   3HG2  VAL  57          3HG2      VAL  57   5.212  -4.835   9.842
  468    H    LEU  58           H        LEU  58   6.797  -6.840   8.282
  469    HA   LEU  58           HA       LEU  58   6.886  -7.404   5.471
  470   1HB   LEU  58          2HB       LEU  58   7.054  -8.952   7.710
  471   2HB   LEU  58          3HB       LEU  58   5.397  -9.288   7.230
  472    HG   LEU  58           HG       LEU  58   7.889  -9.528   5.464
  473   1HD1  LEU  58          1HD1      LEU  58   6.198 -11.690   6.762
  474   2HD1  LEU  58          2HD1      LEU  58   7.593 -11.953   5.682
  475   3HD1  LEU  58          3HD1      LEU  58   7.832 -11.192   7.265
  476   1HD2  LEU  58          1HD2      LEU  58   5.948  -9.128   4.033
  477   2HD2  LEU  58          2HD2      LEU  58   6.477 -10.809   3.893
  478   3HD2  LEU  58          3HD2      LEU  58   5.043 -10.408   4.869
  479    H    TRP  59           H        TRP  59   5.532  -6.686   4.141
  480    HA   TRP  59           HA       TRP  59   2.962  -5.626   4.798
  481   1HB   TRP  59          2HB       TRP  59   4.257  -6.111   2.122
  482   2HB   TRP  59          3HB       TRP  59   2.706  -5.301   2.309
  483    HD1  TRP  59           HD1      TRP  59   6.079  -4.329   1.784
  484    HE1  TRP  59           HE1      TRP  59   6.430  -1.855   2.478
  485    HE3  TRP  59           HE3      TRP  59   2.128  -3.802   4.974
  486    HZ2  TRP  59           HZ2      TRP  59   5.325  -0.029   4.382
  487    HZ3  TRP  59           HZ3      TRP  59   1.853  -1.820   6.304
  488    HH2  TRP  59           HH2      TRP  59   3.425   0.153   6.031
  489    H    ASP  60           H        ASP  60   2.319  -7.613   5.887
  490    HA   ASP  60           HA       ASP  60   1.113  -9.735   4.342
  491   1HB   ASP  60          2HB       ASP  60   0.159  -9.052   7.118
  492   2HB   ASP  60          3HB       ASP  60   0.357 -10.628   6.382
  493    H    GLU  61           H        GLU  61  -1.136 -10.255   4.181
  494    HA   GLU  61           HA       GLU  61  -2.923  -8.401   3.176
  495   1HB   GLU  61          2HB       GLU  61  -3.504 -10.992   4.686
  496   2HB   GLU  61          3HB       GLU  61  -4.716 -10.115   3.754
  497   1HG   GLU  61          2HG       GLU  61  -3.386 -10.402   1.694
  498   2HG   GLU  61          3HG       GLU  61  -2.086 -11.162   2.613
  499    H    ASN  62           H        ASN  62  -3.034  -9.575   6.550
  500    HA   ASN  62           HA       ASN  62  -4.960  -7.591   7.364
  501   1HB   ASN  62          2HB       ASN  62  -4.748  -8.649   9.514
  502   2HB   ASN  62          3HB       ASN  62  -4.909  -9.868   8.262
  503   1HD2  ASN  62          2HD2      ASN  62  -3.002 -11.359   7.868
  504   2HD2  ASN  62          1HD2      ASN  62  -1.691 -11.226   9.041
  505    H    ASN  63           H        ASN  63  -1.406  -7.894   7.978
  506    HA   ASN  63           HA       ASN  63  -1.254  -5.644   9.715
  507   1HB   ASN  63          2HB       ASN  63   0.458  -7.384   9.668
  508   2HB   ASN  63          3HB       ASN  63   0.857  -6.998   7.989
  509   1HD2  ASN  63          2HD2      ASN  63   2.979  -6.307   8.184
  510   2HD2  ASN  63          1HD2      ASN  63   3.387  -4.888   9.148
  511    H    MET  64           H        MET  64  -0.657  -5.794   6.164
  512    HA   MET  64           HA       MET  64  -0.031  -3.013   5.818
  513   1HB   MET  64          2HB       MET  64   0.276  -4.896   4.094
  514   2HB   MET  64          3HB       MET  64  -1.456  -4.827   3.884
  515   1HG   MET  64          2HG       MET  64  -1.226  -2.390   3.233
  516   2HG   MET  64          3HG       MET  64   0.518  -2.595   3.338
  517   1HE   MET  64          1HE       MET  64  -2.757  -3.239   1.353
  518   2HE   MET  64          2HE       MET  64  -2.277  -4.421   0.115
  519   3HE   MET  64          3HE       MET  64  -2.391  -4.917   1.817
  520    H    SER  65           H        SER  65  -3.149  -4.740   6.081
  521    HA   SER  65           HA       SER  65  -4.793  -2.484   5.348
  522   1HB   SER  65          2HB       SER  65  -5.349  -5.003   5.469
  523   2HB   SER  65          3HB       SER  65  -5.721  -4.715   7.179
  524    HG   SER  65           HG       SER  65  -7.549  -4.489   5.711
  525    H    GLU  66           H        GLU  66  -3.818  -3.758   8.560
  526    HA   GLU  66           HA       GLU  66  -5.036  -1.702  10.140
  527   1HB   GLU  66          2HB       GLU  66  -3.786  -4.108  10.635
  528   2HB   GLU  66          3HB       GLU  66  -2.587  -2.968  11.214
  529   1HG   GLU  66          2HG       GLU  66  -3.947  -3.639  13.063
  530   2HG   GLU  66          3HG       GLU  66  -4.349  -1.967  12.706
  531    H    TYR  67           H        TYR  67  -1.848  -1.795   8.640
  532    HA   TYR  67           HA       TYR  67  -0.880   0.830   9.357
  533   1HB   TYR  67          2HB       TYR  67   0.669  -0.564   8.317
  534   2HB   TYR  67          3HB       TYR  67  -0.457  -1.146   7.146
  535    HD1  TYR  67           HD1      TYR  67  -0.037  -0.598   4.924
  536    HD2  TYR  67           HD2      TYR  67   1.005   2.172   8.023
  537    HE1  TYR  67           HE1      TYR  67   1.076   0.823   3.243
  538    HE2  TYR  67           HE2      TYR  67   2.071   3.684   6.288
  539    HH   TYR  67           HH       TYR  67   2.561   2.606   2.984
  540    H    LEU  68           H        LEU  68  -2.777  -0.160   6.455
  541    HA   LEU  68           HA       LEU  68  -2.978   2.455   5.370
  542   1HB   LEU  68          2HB       LEU  68  -4.587  -0.084   4.965
  543   2HB   LEU  68          3HB       LEU  68  -4.943   1.381   4.063
  544    HG   LEU  68           HG       LEU  68  -2.177   0.120   4.034
  545   1HD1  LEU  68          1HD1      LEU  68  -4.492  -0.286   2.102
  546   2HD1  LEU  68          2HD1      LEU  68  -2.819  -0.838   1.845
  547   3HD1  LEU  68          3HD1      LEU  68  -3.783  -1.512   3.171
  548   1HD2  LEU  68          1HD2      LEU  68  -2.216   2.453   3.325
  549   2HD2  LEU  68          2HD2      LEU  68  -1.936   1.395   1.953
  550   3HD2  LEU  68          3HD2      LEU  68  -3.545   2.114   2.187
  551    H    THR  69           H        THR  69  -4.980   1.064   7.877
  552    HA   THR  69           HA       THR  69  -7.033   3.093   7.771
  553    HB   THR  69           HB       THR  69  -6.175   1.228   9.911
  554    HG1  THR  69           1HG      THR  69  -8.488   1.556   8.290
  555   1HG2  THR  69          1HG2      THR  69  -8.540   3.161   9.994
  556   2HG2  THR  69          2HG2      THR  69  -8.346   1.736  11.043
  557   3HG2  THR  69          3HG2      THR  69  -7.198   3.070  11.161
  558    H    ASN  70           H        ASN  70  -3.806   3.143   9.266
  559    HA   ASN  70           HA       ASN  70  -4.204   6.017   9.689
  560   1HB   ASN  70          2HB       ASN  70  -5.007   4.601  11.796
  561   2HB   ASN  70          3HB       ASN  70  -3.293   4.487  12.148
  562   1HD2  ASN  70          2HD2      ASN  70  -5.476   7.110  10.912
  563   2HD2  ASN  70          1HD2      ASN  70  -4.935   8.249  12.165
  564    HA   PRO  71           HA       PRO  71  -0.218   4.109   8.310
  565   1HB   PRO  71          2HB       PRO  71   0.244   5.498   5.951
  566   2HB   PRO  71          3HB       PRO  71  -0.799   4.052   6.098
  567   1HG   PRO  71          2HG       PRO  71  -1.650   6.951   6.079
  568   2HG   PRO  71          3HG       PRO  71  -2.367   5.548   5.214
  569   1HD   PRO  71          2HD       PRO  71  -3.436   6.469   7.529
  570   2HD   PRO  71          3HD       PRO  71  -3.381   4.723   7.140
  571    H    LYS  72           H        LYS  72  -0.839   7.534   8.033
  572    HA   LYS  72           HA       LYS  72   1.716   8.649   8.521
  573   1HB   LYS  72          2HB       LYS  72  -0.384   9.725   7.645
  574   2HB   LYS  72          3HB       LYS  72  -0.998   9.794   9.305
  575   1HG   LYS  72          2HG       LYS  72   0.919  11.229   9.944
  576   2HG   LYS  72          3HG       LYS  72   1.579  11.104   8.307
  577   1HD   LYS  72          2HD       LYS  72  -1.093  12.396   9.065
  578   2HD   LYS  72          3HD       LYS  72   0.424  13.234   8.772
  579   1HE   LYS  72          2HE       LYS  72  -0.472  13.518   6.717
  580   2HE   LYS  72          3HE       LYS  72   0.372  11.992   6.432
  581   1HZ   LYS  72          1HZ       LYS  72  -2.505  12.168   7.182
  582   2HZ   LYS  72          2HZ       LYS  72  -1.970  12.092   5.630
  583   3HZ   LYS  72          3HZ       LYS  72  -1.734  10.835   6.596
  584    H    LYS  73           H        LYS  73  -0.312   7.019  10.796
  585    HA   LYS  73           HA       LYS  73   1.366   8.026  13.066
  586   1HB   LYS  73          2HB       LYS  73  -1.203   8.086  13.203
  587   2HB   LYS  73          3HB       LYS  73  -1.114   6.313  13.315
  588   1HG   LYS  73          2HG       LYS  73   0.296   6.524  15.355
  589   2HG   LYS  73          3HG       LYS  73   0.240   8.292  15.205
  590   1HD   LYS  73          2HD       LYS  73  -2.254   8.194  15.421
  591   2HD   LYS  73          3HD       LYS  73  -2.142   6.438  15.662
  592   1HE   LYS  73          2HE       LYS  73  -0.732   6.794  17.669
  593   2HE   LYS  73          3HE       LYS  73  -0.779   8.543  17.405
  594   1HZ   LYS  73          1HZ       LYS  73  -3.139   6.841  17.996
  595   2HZ   LYS  73          2HZ       LYS  73  -2.422   7.880  19.051
  596   3HZ   LYS  73          3HZ       LYS  73  -3.191   8.453  17.714
  597    H    TYR  74           H        TYR  74   0.390   5.039  11.345
  598    HA   TYR  74           HA       TYR  74   1.765   3.184  12.966
  599   1HB   TYR  74          2HB       TYR  74   0.117   2.828  11.026
  600   2HB   TYR  74          3HB       TYR  74   1.474   3.084   9.948
  601    HD1  TYR  74           HD1      TYR  74   0.381   1.012  12.886
  602    HD2  TYR  74           HD2      TYR  74   2.748   1.165   9.275
  603    HE1  TYR  74           HE1      TYR  74   0.972  -1.402  13.160
  604    HE2  TYR  74           HE2      TYR  74   3.284  -1.252   9.542
  605    HH   TYR  74           HH       TYR  74   1.963  -3.395  11.138
  606    H    ILE  75           H        ILE  75   2.910   5.197  10.325
  607    HA   ILE  75           HA       ILE  75   5.763   4.696  11.132
  608    HB   ILE  75           HB       ILE  75   4.652   5.249   8.379
  609   1HG1  ILE  75          2HG1      ILE  75   6.403   2.871   9.021
  610   2HG1  ILE  75          3HG1      ILE  75   4.716   2.771   9.498
  611   1HG2  ILE  75          1HG2      ILE  75   7.543   4.889   9.325
  612   2HG2  ILE  75          2HG2      ILE  75   7.017   5.058   7.630
  613   3HG2  ILE  75          3HG2      ILE  75   6.846   6.407   8.735
  614   1HD1  ILE  75          1HD1      ILE  75   5.567   3.490   6.682
  615   2HD1  ILE  75          2HD1      ILE  75   5.172   1.841   7.227
  616   3HD1  ILE  75          3HD1      ILE  75   3.944   3.123   7.274
  617    HA   PRO  76           HA       PRO  76   4.561   9.048  12.064
  618   1HB   PRO  76          2HB       PRO  76   5.982   9.403  14.359
  619   2HB   PRO  76          3HB       PRO  76   4.450   8.478  14.301
  620   1HG   PRO  76          2HG       PRO  76   7.279   7.383  14.221
  621   2HG   PRO  76          3HG       PRO  76   5.916   6.850  15.254
  622   1HD   PRO  76          2HD       PRO  76   6.572   5.599  12.917
  623   2HD   PRO  76          3HD       PRO  76   4.875   5.734  13.465
  624    H    GLY  77           H        GLY  77   5.588   9.564  10.155
  625   1HA   GLY  77          1HA       GLY  77   7.473  11.382   9.699
  626   2HA   GLY  77          2HA       GLY  77   8.536  10.029  10.077
  627    H    THR  78           H        THR  78   5.845   8.710   8.523
  628    HA   THR  78           HA       THR  78   7.191   8.109   6.102
  629    HB   THR  78           HB       THR  78   5.348   6.771   6.993
  630    HG1  THR  78           1HG      THR  78   5.835   6.845   4.712
  631   1HG2  THR  78          1HG2      THR  78   3.432   8.943   6.055
  632   2HG2  THR  78          2HG2      THR  78   3.026   7.371   6.768
  633   3HG2  THR  78          3HG2      THR  78   3.826   8.612   7.754
  634    H    LYS  79           H        LYS  79   6.863   8.733   4.034
  635    HA   LYS  79           HA       LYS  79   5.954  11.514   3.445
  636   1HB   LYS  79          2HB       LYS  79   8.104  10.520   2.569
  637   2HB   LYS  79          3HB       LYS  79   7.135   9.471   1.549
  638   1HG   LYS  79          2HG       LYS  79   6.167  11.582   0.490
  639   2HG   LYS  79          3HG       LYS  79   7.404  12.472   1.379
  640   1HD   LYS  79          2HD       LYS  79   7.809  10.316  -0.755
  641   2HD   LYS  79          3HD       LYS  79   8.106  12.036  -0.903
  642   1HE   LYS  79          2HE       LYS  79  10.251  11.442  -0.548
  643   2HE   LYS  79          3HE       LYS  79   9.783  11.593   1.148
  644   1HZ   LYS  79          1HZ       LYS  79   9.903   9.068  -0.428
  645   2HZ   LYS  79          2HZ       LYS  79  10.964   9.496   0.729
  646   3HZ   LYS  79          3HZ       LYS  79   9.435   9.143   1.152
  647    H    MET  80           H        MET  80   4.411   8.480   3.680
  648    HA   MET  80           HA       MET  80   2.434   8.886   1.603
  649   1HB   MET  80          2HB       MET  80   2.995   6.653   2.350
  650   2HB   MET  80          3HB       MET  80   2.446   7.015   3.995
  651   1HG   MET  80          2HG       MET  80   0.234   7.053   3.418
  652   2HG   MET  80          3HG       MET  80   0.534   7.580   1.765
  653   1HE   MET  80          1HE       MET  80  -1.696   5.882   1.555
  654   2HE   MET  80          2HE       MET  80  -1.568   4.139   1.861
  655   3HE   MET  80          3HE       MET  80  -1.442   5.283   3.211
  656    H    ALA  81           H        ALA  81   2.092  11.081   2.053
  657    HA   ALA  81           HA       ALA  81   0.819  12.092   4.318
  658   1HB   ALA  81          1HB       ALA  81   0.708  13.132   1.452
  659   2HB   ALA  81          2HB       ALA  81   0.407  14.094   2.913
  660   3HB   ALA  81          3HB       ALA  81   2.027  13.441   2.605
  661    H    PHE  82           H        PHE  82  -0.520  10.043   2.398
  662    HA   PHE  82           HA       PHE  82  -3.295  10.672   1.953
  663   1HB   PHE  82          2HB       PHE  82  -2.240   8.757   0.911
  664   2HB   PHE  82          3HB       PHE  82  -1.854   8.058   2.475
  665    HD1  PHE  82           HD1      PHE  82  -4.689   8.826   0.139
  666    HD2  PHE  82           HD2      PHE  82  -3.414   6.730   3.683
  667    HE1  PHE  82           HE1      PHE  82  -6.768   7.509   0.106
  668    HE2  PHE  82           HE2      PHE  82  -5.495   5.384   3.640
  669    HZ   PHE  82           HZ       PHE  82  -7.193   5.787   1.859
  670    H    GLY  83           H        GLY  83  -5.173  10.178   3.172
  671   1HA   GLY  83          1HA       GLY  83  -5.005  10.993   5.906
  672   2HA   GLY  83          2HA       GLY  83  -6.456  10.431   5.090
  673    H    GLY  84           H        GLY  84  -6.604   8.004   4.822
  674   1HA   GLY  84          1HA       GLY  84  -5.538   5.894   6.002
  675   2HA   GLY  84          2HA       GLY  84  -6.143   6.721   7.440
  676    H    LEU  85           H        LEU  85  -6.940   4.183   5.842
  677    HA   LEU  85           HA       LEU  85  -9.724   4.674   5.046
  678   1HB   LEU  85          2HB       LEU  85  -8.017   2.166   5.181
  679   2HB   LEU  85          3HB       LEU  85  -9.669   2.202   4.572
  680    HG   LEU  85           HG       LEU  85  -7.348   3.770   3.364
  681   1HD1  LEU  85          1HD1      LEU  85  -8.726   1.276   2.315
  682   2HD1  LEU  85          2HD1      LEU  85  -7.372   2.147   1.573
  683   3HD1  LEU  85          3HD1      LEU  85  -7.134   1.292   3.106
  684   1HD2  LEU  85          1HD2      LEU  85  -9.480   4.862   2.861
  685   2HD2  LEU  85          2HD2      LEU  85  -8.896   4.020   1.421
  686   3HD2  LEU  85          3HD2      LEU  85 -10.202   3.300   2.385
  687    H    LYS  86           H        LYS  86 -10.732   5.340   6.927
  688    HA   LYS  86           HA       LYS  86 -10.933   3.969   9.414
  689   1HB   LYS  86          2HB       LYS  86 -12.852   5.908   8.049
  690   2HB   LYS  86          3HB       LYS  86 -13.046   5.338   9.701
  691   1HG   LYS  86          2HG       LYS  86 -10.700   6.216  10.196
  692   2HG   LYS  86          3HG       LYS  86 -10.816   7.081   8.644
  693   1HD   LYS  86          2HD       LYS  86 -12.960   8.117   9.426
  694   2HD   LYS  86          3HD       LYS  86 -12.807   7.242  10.964
  695   1HE   LYS  86          2HE       LYS  86 -10.638   8.409  11.381
  696   2HE   LYS  86          3HE       LYS  86 -10.876   9.338   9.893
  697   1HZ   LYS  86          1HZ       LYS  86 -12.681   9.373  12.254
  698   2HZ   LYS  86          2HZ       LYS  86 -11.651  10.574  11.828
  699   3HZ   LYS  86          3HZ       LYS  86 -12.940  10.219  10.871
  700    H    LYS  87           H        LYS  87 -11.988   2.388   6.781
  701    HA   LYS  87           HA       LYS  87 -14.207   1.000   8.239
  702   1HB   LYS  87          2HB       LYS  87 -14.228   1.881   5.317
  703   2HB   LYS  87          3HB       LYS  87 -15.296   0.654   5.984
  704   1HG   LYS  87          2HG       LYS  87 -16.233   2.393   7.555
  705   2HG   LYS  87          3HG       LYS  87 -15.255   3.609   6.695
  706   1HD   LYS  87          2HD       LYS  87 -16.337   2.890   4.541
  707   2HD   LYS  87          3HD       LYS  87 -17.355   1.763   5.452
  708   1HE   LYS  87          2HE       LYS  87 -18.329   3.680   6.714
  709   2HE   LYS  87          3HE       LYS  87 -17.317   4.791   5.777
  710   1HZ   LYS  87          1HZ       LYS  87 -19.407   3.005   4.657
  711   2HZ   LYS  87          2HZ       LYS  87 -19.515   4.641   4.787
  712   3HZ   LYS  87          3HZ       LYS  87 -18.415   3.952   3.761
  713    H    GLU  88           H        GLU  88 -13.878  -1.110   8.372
  714    HA   GLU  88           HA       GLU  88 -11.781  -2.586   7.230
  715   1HB   GLU  88          2HB       GLU  88 -14.542  -3.423   8.194
  716   2HB   GLU  88          3HB       GLU  88 -13.390  -4.612   7.616
  717   1HG   GLU  88          2HG       GLU  88 -12.813  -2.702   9.917
  718   2HG   GLU  88          3HG       GLU  88 -13.515  -4.309  10.120
  719    H    LYS  89           H        LYS  89 -15.187  -2.405   5.728
  720    HA   LYS  89           HA       LYS  89 -14.528  -4.125   3.634
  721   1HB   LYS  89          2HB       LYS  89 -16.396  -1.753   3.875
  722   2HB   LYS  89          3HB       LYS  89 -16.359  -2.749   2.427
  723   1HG   LYS  89          2HG       LYS  89 -16.945  -3.717   5.258
  724   2HG   LYS  89          3HG       LYS  89 -18.036  -3.360   3.960
  725   1HD   LYS  89          2HD       LYS  89 -16.071  -5.664   4.294
  726   2HD   LYS  89          3HD       LYS  89 -17.792  -5.796   3.959
  727   1HE   LYS  89          2HE       LYS  89 -17.443  -5.197   1.610
  728   2HE   LYS  89          3HE       LYS  89 -15.794  -4.689   1.920
  729   1HZ   LYS  89          1HZ       LYS  89 -16.723  -7.496   1.932
  730   2HZ   LYS  89          2HZ       LYS  89 -15.672  -6.731   0.900
  731   3HZ   LYS  89          3HZ       LYS  89 -15.241  -7.048   2.438
  732    H    ASP  90           H        ASP  90 -14.419  -0.639   3.484
  733    HA   ASP  90           HA       ASP  90 -13.457  -0.140   0.930
  734   1HB   ASP  90          2HB       ASP  90 -12.950   1.153   3.629
  735   2HB   ASP  90          3HB       ASP  90 -12.125   1.703   2.208
  736    H    ARG  91           H        ARG  91 -11.428  -0.815   3.814
  737    HA   ARG  91           HA       ARG  91  -8.987  -1.007   2.231
  738   1HB   ARG  91          2HB       ARG  91  -7.859  -1.450   4.288
  739   2HB   ARG  91          3HB       ARG  91  -9.006  -0.132   4.528
  740   1HG   ARG  91          2HG       ARG  91 -10.558  -1.731   5.614
  741   2HG   ARG  91          3HG       ARG  91  -9.358  -3.008   5.416
  742   1HD   ARG  91          2HD       ARG  91  -7.754  -1.357   6.644
  743   2HD   ARG  91          3HD       ARG  91  -9.235  -0.503   7.110
  744    HE   ARG  91           HE       ARG  91  -9.702  -3.184   7.845
  745   1HH1  ARG  91          1HH2      ARG  91  -7.233  -0.839   8.736
  746   2HH1  ARG  91          2HH2      ARG  91  -6.967  -1.722  10.243
  747   1HH2  ARG  91          1HH1      ARG  91  -9.359  -3.963   9.856
  748   2HH2  ARG  91          2HH1      ARG  91  -7.952  -3.264  10.765
  749    H    ASN  92           H        ASN  92 -11.229  -3.457   3.436
  750    HA   ASN  92           HA       ASN  92  -9.271  -5.581   2.779
  751   1HB   ASN  92          2HB       ASN  92 -12.095  -5.730   3.880
  752   2HB   ASN  92          3HB       ASN  92 -11.075  -7.133   3.587
  753   1HD2  ASN  92          2HD2      ASN  92 -12.037  -6.527   6.287
  754   2HD2  ASN  92          1HD2      ASN  92 -10.756  -5.698   7.129
  755    H    ASP  93           H        ASP  93 -12.047  -4.179   1.166
  756    HA   ASP  93           HA       ASP  93 -12.014  -5.983  -1.125
  757   1HB   ASP  93          2HB       ASP  93 -12.778  -3.058  -0.838
  758   2HB   ASP  93          3HB       ASP  93 -12.993  -4.016  -2.293
  759    H    LEU  94           H        LEU  94 -10.152  -3.111  -0.148
  760    HA   LEU  94           HA       LEU  94  -8.480  -2.898  -2.430
  761   1HB   LEU  94          2HB       LEU  94  -8.798  -1.522  -0.017
  762   2HB   LEU  94          3HB       LEU  94  -7.193  -2.187   0.144
  763    HG   LEU  94           HG       LEU  94  -7.192   0.078  -0.704
  764   1HD1  LEU  94          1HD1      LEU  94  -6.273  -1.910  -2.809
  765   2HD1  LEU  94          2HD1      LEU  94  -5.771  -0.214  -2.703
  766   3HD1  LEU  94          3HD1      LEU  94  -5.343  -1.349  -1.406
  767   1HD2  LEU  94          1HD2      LEU  94  -9.403  -0.208  -1.986
  768   2HD2  LEU  94          2HD2      LEU  94  -8.129   0.796  -2.721
  769   3HD2  LEU  94          3HD2      LEU  94  -8.422  -0.856  -3.305
  770    H    ILE  95           H        ILE  95  -7.742  -4.642   0.649
  771    HA   ILE  95           HA       ILE  95  -5.384  -5.985  -0.163
  772    HB   ILE  95           HB       ILE  95  -7.651  -7.351   1.329
  773   1HG1  ILE  95          2HG1      ILE  95  -5.255  -6.030   2.660
  774   2HG1  ILE  95          3HG1      ILE  95  -6.813  -5.226   2.478
  775   1HG2  ILE  95          1HG2      ILE  95  -4.657  -7.987   1.325
  776   2HG2  ILE  95          2HG2      ILE  95  -5.939  -8.899   2.157
  777   3HG2  ILE  95          3HG2      ILE  95  -5.875  -8.911   0.425
  778   1HD1  ILE  95          1HD1      ILE  95  -6.332  -7.822   4.004
  779   2HD1  ILE  95          2HD1      ILE  95  -6.804  -6.261   4.657
  780   3HD1  ILE  95          3HD1      ILE  95  -7.929  -7.146   3.641
  781    H    THR  96           H        THR  96  -8.751  -7.100  -0.694
  782    HA   THR  96           HA       THR  96  -8.072  -9.486  -2.041
  783    HB   THR  96           HB       THR  96 -10.592  -7.881  -2.626
  784    HG1  THR  96           1HG      THR  96 -10.322  -8.185  -0.384
  785   1HG2  THR  96          1HG2      THR  96  -9.937 -10.869  -2.655
  786   2HG2  THR  96          2HG2      THR  96 -11.554 -10.192  -2.878
  787   3HG2  THR  96          3HG2      THR  96 -10.299  -9.871  -4.080
  788    H    TYR  97           H        TYR  97  -8.378  -6.248  -3.385
  789    HA   TYR  97           HA       TYR  97  -7.804  -7.000  -6.149
  790   1HB   TYR  97          2HB       TYR  97  -8.916  -4.970  -5.800
  791   2HB   TYR  97          3HB       TYR  97  -7.827  -4.456  -4.539
  792    HD1  TYR  97           HD1      TYR  97  -6.460  -2.711  -5.048
  793    HD2  TYR  97           HD2      TYR  97  -7.461  -5.515  -8.167
  794    HE1  TYR  97           HE1      TYR  97  -5.070  -1.436  -6.650
  795    HE2  TYR  97           HE2      TYR  97  -6.129  -4.158  -9.798
  796    HH   TYR  97           HH       TYR  97  -4.593  -1.094  -8.822
  797    H    LEU  98           H        LEU  98  -5.726  -5.456  -3.594
  798    HA   LEU  98           HA       LEU  98  -3.436  -5.388  -5.235
  799   1HB   LEU  98          2HB       LEU  98  -4.192  -4.618  -2.535
  800   2HB   LEU  98          3HB       LEU  98  -2.701  -5.480  -2.435
  801    HG   LEU  98           HG       LEU  98  -2.358  -3.077  -2.583
  802   1HD1  LEU  98          1HD1      LEU  98  -1.380  -4.379  -5.152
  803   2HD1  LEU  98          2HD1      LEU  98  -0.743  -2.916  -4.388
  804   3HD1  LEU  98          3HD1      LEU  98  -0.599  -4.486  -3.570
  805   1HD2  LEU  98          1HD2      LEU  98  -4.387  -2.567  -3.925
  806   2HD2  LEU  98          2HD2      LEU  98  -2.925  -1.741  -4.492
  807   3HD2  LEU  98          3HD2      LEU  98  -3.545  -3.152  -5.373
  808    H    LYS  99           H        LYS  99  -4.509  -7.873  -3.018
  809    HA   LYS  99           HA       LYS  99  -2.303  -9.674  -3.102
  810   1HB   LYS  99          2HB       LYS  99  -4.425  -9.907  -1.721
  811   2HB   LYS  99          3HB       LYS  99  -5.257 -10.440  -3.197
  812   1HG   LYS  99          2HG       LYS  99  -3.468 -12.270  -3.389
  813   2HG   LYS  99          3HG       LYS  99  -2.874 -11.717  -1.813
  814   1HD   LYS  99          2HD       LYS  99  -5.188 -12.203  -0.885
  815   2HD   LYS  99          3HD       LYS  99  -5.621 -12.873  -2.455
  816   1HE   LYS  99          2HE       LYS  99  -5.046 -14.707  -1.005
  817   2HE   LYS  99          3HE       LYS  99  -3.755 -14.541  -2.241
  818   1HZ   LYS  99          1HZ       LYS  99  -3.569 -13.423   0.475
  819   2HZ   LYS  99          2HZ       LYS  99  -2.898 -14.858   0.071
  820   3HZ   LYS  99          3HZ       LYS  99  -2.365 -13.511  -0.680
  821    H    LYS 100           H        LYS 100  -5.060  -9.380  -5.397
  822    HA   LYS 100           HA       LYS 100  -3.809 -11.287  -7.220
  823   1HB   LYS 100          2HB       LYS 100  -6.401 -10.520  -6.832
  824   2HB   LYS 100          3HB       LYS 100  -6.016  -9.614  -8.308
  825   1HG   LYS 100          2HG       LYS 100  -4.946 -11.770  -9.208
  826   2HG   LYS 100          3HG       LYS 100  -5.633 -12.616  -7.822
  827   1HD   LYS 100          2HD       LYS 100  -7.890 -12.166  -8.610
  828   2HD   LYS 100          3HD       LYS 100  -7.260 -11.100  -9.905
  829   1HE   LYS 100          2HE       LYS 100  -5.898 -12.988 -10.784
  830   2HE   LYS 100          3HE       LYS 100  -6.549 -14.054  -9.541
  831   1HZ   LYS 100          1HZ       LYS 100  -8.141 -12.723 -11.661
  832   2HZ   LYS 100          2HZ       LYS 100  -7.693 -14.305 -11.662
  833   3HZ   LYS 100          3HZ       LYS 100  -8.748 -13.757 -10.524
  834    H    ALA 101           H        ALA 101  -3.198  -8.167  -6.718
  835    HA   ALA 101           HA       ALA 101  -1.979  -7.672  -9.402
  836   1HB   ALA 101          1HB       ALA 101  -1.782  -5.991  -6.881
  837   2HB   ALA 101          2HB       ALA 101  -1.262  -5.561  -8.511
  838   3HB   ALA 101          3HB       ALA 101  -2.996  -5.780  -8.172
  839    H    THR 102           H        THR 102  -1.097  -9.589  -6.781
  840    HA   THR 102           HA       THR 102   1.735  -9.566  -7.641
  841    HB   THR 102           HB       THR 102   1.497  -7.908  -5.838
  842    HG1  THR 102           1HG      THR 102   3.027 -10.226  -5.488
  843   1HG2  THR 102          1HG2      THR 102   1.114 -10.288  -3.984
  844   2HG2  THR 102          2HG2      THR 102   1.311  -8.580  -3.562
  845   3HG2  THR 102          3HG2      THR 102  -0.155  -9.115  -4.386
  846    H    GLU 103           H        GLU 103  -0.987 -11.399  -6.640
  847    HA   GLU 103           HA       GLU 103   0.467 -13.963  -6.665
  848   1HB   GLU 103          2HB       GLU 103  -1.667 -13.125  -4.658
  849   2HB   GLU 103          3HB       GLU 103  -1.112 -14.772  -4.921
  850   1HG   GLU 103          2HG       GLU 103   1.191 -14.095  -4.240
  851   2HG   GLU 103          3HG       GLU 103   0.564 -12.492  -3.813
  852    HHA  HEC 104           HHA      HEC 104   5.082   3.162   1.009
  853    HHB  HEC 104           HHB      HEC 104  -0.657   0.432  -0.229
  854    HHC  HEC 104           HHC      HEC 104  -3.073   6.323  -1.511
  855    HHD  HEC 104           HHD      HEC 104   2.857   8.773  -1.227
  856   1HMA  HEC 104          1HMA      HEC 104   1.449  -1.176   1.559
  857   2HMA  HEC 104          2HMA      HEC 104   0.924  -1.171  -0.145
  858   3HMA  HEC 104          3HMA      HEC 104   2.620  -1.453   0.252
  859   1HAA  HEC 104          1HAA      HEC 104   4.169  -0.486   1.716
  860   2HAA  HEC 104          2HAA      HEC 104   4.778   1.095   2.199
  861   1HBA  HEC 104          1HBA      HEC 104   5.830   1.281  -0.114
  862   2HBA  HEC 104          2HBA      HEC 104   5.311  -0.367  -0.418
  863   1HMB  HEC 104          1HMB      HEC 104  -3.649   0.694  -0.059
  864   2HMB  HEC 104          2HMB      HEC 104  -4.117   1.099  -1.719
  865   3HMB  HEC 104          3HMB      HEC 104  -2.611   0.237  -1.428
  866    HAB  HEC 104           HAB      HEC 104  -4.613   5.031  -1.309
  867   1HBB  HEC 104          1HBB      HEC 104  -4.962   3.909   0.835
  868   2HBB  HEC 104          2HBB      HEC 104  -6.411   3.949  -0.189
  869   3HBB  HEC 104          3HBB      HEC 104  -5.482   2.446  -0.031
  870   1HMC  HEC 104          1HMC      HEC 104  -3.161   8.797  -1.437
  871   2HMC  HEC 104          2HMC      HEC 104  -2.238   9.890  -2.466
  872   3HMC  HEC 104          3HMC      HEC 104  -2.746   8.308  -3.083
  873    HAC  HEC 104           HAC      HEC 104   1.666  10.039  -2.307
  874   1HBC  HEC 104          1HBC      HEC 104   0.582  11.080  -0.411
  875   2HBC  HEC 104          2HBC      HEC 104   0.619  12.145  -1.832
  876   3HBC  HEC 104          3HBC      HEC 104  -0.892  11.335  -1.369
  877   1HMD  HEC 104          1HMD      HEC 104   5.518   8.896  -0.013
  878   2HMD  HEC 104          2HMD      HEC 104   6.485   7.832  -1.075
  879   3HMD  HEC 104          3HMD      HEC 104   5.014   8.589  -1.673
  880   1HAD  HEC 104          1HAD      HEC 104   7.158   5.182   0.348
  881   2HAD  HEC 104          2HAD      HEC 104   6.263   4.912   1.855
  882   1HBD  HEC 104          1HBD      HEC 104   6.120   7.530   1.893
  883   2HBD  HEC 104          2HBD      HEC 104   7.559   7.415   0.855
  Start of MODEL   23
    1   1H    THR  -5          H1        THR  -5  -6.489 -11.751  10.372
    2   2H    THR  -5          H2        THR  -5  -6.264 -12.055   8.771
    3   3H    THR  -5          H3        THR  -5  -5.074 -12.368   9.838
    4    HA   THR  -5           HA       THR  -5  -6.220 -14.358   9.046
    5    HB   THR  -5           HB       THR  -5  -5.009 -14.268  11.195
    6    HG1  THR  -5           1HG      THR  -5  -7.311 -15.873  10.966
    7   1HG2  THR  -5          1HG2      THR  -5  -7.759 -13.942  12.488
    8   2HG2  THR  -5          2HG2      THR  -5  -6.244 -14.352  13.308
    9   3HG2  THR  -5          3HG2      THR  -5  -6.424 -12.768  12.552
   10    H    GLU  -4           H        GLU  -4  -8.278 -11.841  10.000
   11    HA   GLU  -4           HA       GLU  -4 -10.751 -13.408   9.632
   12   1HB   GLU  -4          2HB       GLU  -4 -11.766 -11.683  11.041
   13   2HB   GLU  -4          3HB       GLU  -4 -10.509 -12.576  11.873
   14   1HG   GLU  -4          2HG       GLU  -4  -9.992  -9.836  10.655
   15   2HG   GLU  -4          3HG       GLU  -4 -10.653 -10.050  12.266
   16    H    PHE  -3           H        PHE  -3  -8.838 -11.944   7.682
   17    HA   PHE  -3           HA       PHE  -3 -10.010  -9.869   6.269
   18   1HB   PHE  -3          2HB       PHE  -3  -7.811 -10.588   5.824
   19   2HB   PHE  -3          3HB       PHE  -3  -8.304 -12.250   5.561
   20    HD1  PHE  -3           HD1      PHE  -3  -8.901  -8.832   4.060
   21    HD2  PHE  -3           HD2      PHE  -3  -8.335 -13.047   3.392
   22    HE1  PHE  -3           HE1      PHE  -3  -9.065  -8.475   1.604
   23    HE2  PHE  -3           HE2      PHE  -3  -8.419 -12.677   0.940
   24    HZ   PHE  -3           HZ       PHE  -3  -8.827 -10.383   0.047
   25    H    LYS  -2           H        LYS  -2 -12.246 -10.031   6.300
   26    HA   LYS  -2           HA       LYS  -2 -13.600 -12.180   4.809
   27   1HB   LYS  -2          2HB       LYS  -2 -14.521 -10.863   6.830
   28   2HB   LYS  -2          3HB       LYS  -2 -14.950  -9.610   5.681
   29   1HG   LYS  -2          2HG       LYS  -2 -15.940 -12.495   5.831
   30   2HG   LYS  -2          3HG       LYS  -2 -16.846 -11.023   6.112
   31   1HD   LYS  -2          2HD       LYS  -2 -17.658 -11.602   4.059
   32   2HD   LYS  -2          3HD       LYS  -2 -16.361 -10.516   3.566
   33   1HE   LYS  -2          2HE       LYS  -2 -14.887 -12.602   3.297
   34   2HE   LYS  -2          3HE       LYS  -2 -16.312 -13.579   3.660
   35   1HZ   LYS  -2          1HZ       LYS  -2 -15.934 -11.740   1.359
   36   2HZ   LYS  -2          2HZ       LYS  -2 -16.034 -13.367   1.282
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.364 -12.481   1.683
   38    H    ALA  -1           H        ALA  -1 -12.237 -11.883   3.060
   39    HA   ALA  -1           HA       ALA  -1 -11.714  -9.946   1.326
   40   1HB   ALA  -1          1HB       ALA  -1 -12.705 -12.672   0.382
   41   2HB   ALA  -1          2HB       ALA  -1 -11.547 -11.608  -0.445
   42   3HB   ALA  -1          3HB       ALA  -1 -11.108 -12.370   1.097
   43    H    GLY   1           H        GLY   1 -12.437  -9.009  -0.555
   44   1HA   GLY   1          1HA       GLY   1 -15.411  -8.657  -0.844
   45   2HA   GLY   1          2HA       GLY   1 -14.196  -7.429  -1.196
   46    H    SER   2           H        SER   2 -14.291  -7.108  -3.378
   47    HA   SER   2           HA       SER   2 -13.702  -9.512  -5.082
   48   1HB   SER   2          2HB       SER   2 -16.117  -8.834  -5.299
   49   2HB   SER   2          3HB       SER   2 -15.542  -7.310  -6.006
   50    HG   SER   2           HG       SER   2 -15.386  -9.940  -6.971
   51    H    ALA   3           H        ALA   3 -12.050  -9.348  -6.385
   52    HA   ALA   3           HA       ALA   3 -10.185  -7.306  -6.133
   53   1HB   ALA   3          1HB       ALA   3 -10.476  -9.318  -8.412
   54   2HB   ALA   3          2HB       ALA   3  -9.004  -8.407  -8.011
   55   3HB   ALA   3          3HB       ALA   3  -9.644  -9.587  -6.858
   56    H    LYS   4           H        LYS   4 -12.770  -7.437  -8.556
   57    HA   LYS   4           HA       LYS   4 -11.713  -5.132 -10.025
   58   1HB   LYS   4          2HB       LYS   4 -13.816  -5.113 -11.251
   59   2HB   LYS   4          3HB       LYS   4 -13.111  -6.729 -11.232
   60   1HG   LYS   4          2HG       LYS   4 -14.756  -7.567  -9.723
   61   2HG   LYS   4          3HG       LYS   4 -15.232  -5.954  -9.190
   62   1HD   LYS   4          2HD       LYS   4 -16.961  -6.887 -10.602
   63   2HD   LYS   4          3HD       LYS   4 -16.242  -5.454 -11.354
   64   1HE   LYS   4          2HE       LYS   4 -14.832  -6.940 -12.790
   65   2HE   LYS   4          3HE       LYS   4 -15.582  -8.358 -12.041
   66   1HZ   LYS   4          1HZ       LYS   4 -17.035  -6.279 -13.591
   67   2HZ   LYS   4          2HZ       LYS   4 -16.633  -7.764 -14.156
   68   3HZ   LYS   4          3HZ       LYS   4 -17.717  -7.622 -12.930
   69    H    LYS   5           H        LYS   5 -13.362  -5.376  -7.195
   70    HA   LYS   5           HA       LYS   5 -14.727  -2.727  -7.256
   71   1HB   LYS   5          2HB       LYS   5 -15.639  -4.872  -6.135
   72   2HB   LYS   5          3HB       LYS   5 -14.454  -4.596  -4.869
   73   1HG   LYS   5          2HG       LYS   5 -16.662  -2.652  -5.685
   74   2HG   LYS   5          3HG       LYS   5 -16.740  -3.820  -4.370
   75   1HD   LYS   5          2HD       LYS   5 -14.598  -2.588  -3.455
   76   2HD   LYS   5          3HD       LYS   5 -15.059  -1.302  -4.564
   77   1HE   LYS   5          2HE       LYS   5 -15.933  -0.821  -2.365
   78   2HE   LYS   5          3HE       LYS   5 -17.270  -1.145  -3.480
   79   1HZ   LYS   5          1HZ       LYS   5 -16.167  -3.049  -1.446
   80   2HZ   LYS   5          2HZ       LYS   5 -17.645  -2.348  -1.414
   81   3HZ   LYS   5          3HZ       LYS   5 -17.237  -3.475  -2.552
   82    H    GLY   6           H        GLY   6 -12.160  -4.310  -5.297
   83   1HA   GLY   6          1HA       GLY   6 -11.038  -1.942  -4.168
   84   2HA   GLY   6          2HA       GLY   6 -10.138  -3.413  -4.524
   85    H    ALA   7           H        ALA   7 -10.409  -3.446  -7.389
   86    HA   ALA   7           HA       ALA   7  -8.382  -1.788  -8.299
   87   1HB   ALA   7          1HB       ALA   7 -10.702  -2.867  -9.962
   88   2HB   ALA   7          2HB       ALA   7  -9.103  -2.383 -10.551
   89   3HB   ALA   7          3HB       ALA   7  -9.265  -3.795  -9.499
   90    H    THR   8           H        THR   8 -11.919  -1.144  -8.822
   91    HA   THR   8           HA       THR   8 -11.429   1.412 -10.084
   92    HB   THR   8           HB       THR   8 -13.886   1.779  -9.738
   93    HG1  THR   8           1HG      THR   8 -14.976  -0.177  -9.014
   94   1HG2  THR   8          1HG2      THR   8 -13.176  -0.949 -10.904
   95   2HG2  THR   8          2HG2      THR   8 -14.638   0.001 -11.239
   96   3HG2  THR   8          3HG2      THR   8 -13.055   0.604 -11.760
   97    H    LEU   9           H        LEU   9 -11.823   0.478  -6.740
   98    HA   LEU   9           HA       LEU   9 -12.267   3.099  -5.669
   99   1HB   LEU   9          2HB       LEU   9 -12.713   0.718  -4.731
  100   2HB   LEU   9          3HB       LEU   9 -11.047   0.700  -4.185
  101    HG   LEU   9           HG       LEU   9 -12.893   2.985  -3.526
  102   1HD1  LEU   9          1HD1      LEU   9 -12.778   0.372  -1.981
  103   2HD1  LEU   9          2HD1      LEU   9 -13.630   1.842  -1.467
  104   3HD1  LEU   9          3HD1      LEU   9 -14.163   0.979  -2.922
  105   1HD2  LEU   9          1HD2      LEU   9 -10.393   3.011  -2.857
  106   2HD2  LEU   9          2HD2      LEU   9 -11.607   3.353  -1.586
  107   3HD2  LEU   9          3HD2      LEU   9 -10.849   1.786  -1.665
  108    H    PHE  10           H        PHE  10  -9.421   1.025  -5.487
  109    HA   PHE  10           HA       PHE  10  -7.327   2.723  -4.787
  110   1HB   PHE  10          2HB       PHE  10  -7.020   0.347  -5.041
  111   2HB   PHE  10          3HB       PHE  10  -7.444   0.404  -6.743
  112    HD1  PHE  10           HD1      PHE  10  -5.860   1.035  -8.460
  113    HD2  PHE  10           HD2      PHE  10  -4.760   1.078  -4.292
  114    HE1  PHE  10           HE1      PHE  10  -3.473   1.197  -9.085
  115    HE2  PHE  10           HE2      PHE  10  -2.372   1.347  -4.934
  116    HZ   PHE  10           HZ       PHE  10  -1.727   1.411  -7.332
  117    H    LYS  11           H        LYS  11  -8.564   2.207  -8.088
  118    HA   LYS  11           HA       LYS  11  -6.881   3.803  -9.617
  119   1HB   LYS  11          2HB       LYS  11  -8.559   2.330 -10.545
  120   2HB   LYS  11          3HB       LYS  11  -9.858   3.328  -9.887
  121   1HG   LYS  11          2HG       LYS  11  -9.184   5.190 -11.393
  122   2HG   LYS  11          3HG       LYS  11  -7.912   4.153 -12.079
  123   1HD   LYS  11          2HD       LYS  11  -9.629   2.582 -12.885
  124   2HD   LYS  11          3HD       LYS  11 -10.900   3.525 -12.068
  125   1HE   LYS  11          2HE       LYS  11 -10.261   5.523 -13.432
  126   2HE   LYS  11          3HE       LYS  11  -9.083   4.534 -14.307
  127   1HZ   LYS  11          1HZ       LYS  11 -12.000   3.997 -14.216
  128   2HZ   LYS  11          2HZ       LYS  11 -11.231   4.722 -15.476
  129   3HZ   LYS  11          3HZ       LYS  11 -10.894   3.157 -15.101
  130    H    THR  12           H        THR  12  -9.403   5.052  -7.497
  131    HA   THR  12           HA       THR  12  -8.510   7.834  -8.183
  132    HB   THR  12           HB       THR  12 -10.682   7.292  -9.236
  133    HG1  THR  12           1HG      THR  12 -10.502   9.290  -7.263
  134   1HG2  THR  12          1HG2      THR  12 -11.798   7.303  -6.401
  135   2HG2  THR  12          2HG2      THR  12 -12.718   7.278  -7.915
  136   3HG2  THR  12          3HG2      THR  12 -11.717   5.883  -7.473
  137    H    ARG  13           H        ARG  13  -8.024   5.806  -5.916
  138    HA   ARG  13           HA       ARG  13  -8.313   7.799  -3.671
  139   1HB   ARG  13          2HB       ARG  13  -8.628   4.776  -3.624
  140   2HB   ARG  13          3HB       ARG  13  -8.506   5.749  -2.169
  141   1HG   ARG  13          2HG       ARG  13 -10.599   6.530  -4.225
  142   2HG   ARG  13          3HG       ARG  13 -10.897   5.126  -3.258
  143   1HD   ARG  13          2HD       ARG  13  -9.966   7.480  -1.701
  144   2HD   ARG  13          3HD       ARG  13 -11.471   7.722  -2.577
  145    HE   ARG  13           HE       ARG  13 -11.653   5.199  -1.264
  146   1HH1  ARG  13          1HH2      ARG  13 -11.558   8.488  -0.271
  147   2HH1  ARG  13          2HH2      ARG  13 -12.169   8.163   1.332
  148   1HH2  ARG  13          1HH1      ARG  13 -12.538   4.723   0.743
  149   2HH2  ARG  13          2HH1      ARG  13 -12.694   6.028   1.860
  150    H    CYS  14           H        CYS  14  -6.221   5.473  -5.221
  151    HA   CYS  14           HA       CYS  14  -3.917   6.230  -3.454
  152   1HB   CYS  14          2HB       CYS  14  -4.391   3.565  -4.743
  153   2HB   CYS  14          3HB       CYS  14  -3.120   3.945  -3.603
  154    H    LEU  15           H        LEU  15  -4.881   4.954  -6.689
  155    HA   LEU  15           HA       LEU  15  -2.420   4.884  -7.956
  156   1HB   LEU  15          2HB       LEU  15  -4.543   3.921  -8.744
  157   2HB   LEU  15          3HB       LEU  15  -5.138   5.544  -9.081
  158    HG   LEU  15           HG       LEU  15  -3.355   5.841 -10.786
  159   1HD1  LEU  15          1HD1      LEU  15  -2.787   2.878 -10.366
  160   2HD1  LEU  15          2HD1      LEU  15  -2.101   3.915 -11.630
  161   3HD1  LEU  15          3HD1      LEU  15  -1.686   4.208  -9.942
  162   1HD2  LEU  15          1HD2      LEU  15  -5.598   5.068 -11.420
  163   2HD2  LEU  15          2HD2      LEU  15  -4.356   4.359 -12.466
  164   3HD2  LEU  15          3HD2      LEU  15  -5.092   3.374 -11.184
  165    H    GLN  16           H        GLN  16  -4.205   7.776  -7.176
  166    HA   GLN  16           HA       GLN  16  -2.965   9.686  -8.827
  167   1HB   GLN  16          2HB       GLN  16  -3.357  11.281  -7.029
  168   2HB   GLN  16          3HB       GLN  16  -4.761  10.271  -7.338
  169   1HG   GLN  16          2HG       GLN  16  -4.303   8.931  -5.326
  170   2HG   GLN  16          3HG       GLN  16  -2.804   9.823  -5.037
  171   1HE2  GLN  16          2HE2      GLN  16  -2.921  11.843  -3.857
  172   2HE2  GLN  16          1HE2      GLN  16  -4.545  12.499  -3.524
  173    H    CYS  17           H        CYS  17  -1.507   7.915  -6.106
  174    HA   CYS  17           HA       CYS  17   1.042   9.452  -6.485
  175   1HB   CYS  17          2HB       CYS  17  -0.050   7.980  -4.091
  176   2HB   CYS  17          3HB       CYS  17   1.547   8.689  -4.169
  177    H    HIS  18           H        HIS  18  -0.295   6.241  -6.667
  178    HA   HIS  18           HA       HIS  18   2.422   4.967  -6.570
  179   1HB   HIS  18          1HB       HIS  18  -0.355   4.158  -5.651
  180   2HB   HIS  18          2HB       HIS  18   0.809   2.911  -6.044
  181    HD1  HIS  18           HD1      HIS  18   3.293   3.218  -4.718
  182    HD2  HIS  18           HD2      HIS  18  -0.172   5.026  -3.170
  183    HE1  HIS  18           HE1      HIS  18   3.822   3.823  -2.299
  184    H    THR  19           H        THR  19   2.520   2.790  -7.614
  185    HA   THR  19           HA       THR  19   0.658   2.277  -9.844
  186    HB   THR  19           HB       THR  19   2.454   1.284 -11.172
  187    HG1  THR  19           1HG      THR  19   4.477   2.789 -10.414
  188   1HG2  THR  19          1HG2      THR  19   2.794   4.278 -10.776
  189   2HG2  THR  19          2HG2      THR  19   3.171   3.337 -12.236
  190   3HG2  THR  19          3HG2      THR  19   1.489   3.513 -11.707
  191    H    VAL  20           H        VAL  20   0.667  -0.051 -10.371
  192    HA   VAL  20           HA       VAL  20   1.556  -1.834  -8.168
  193    HB   VAL  20           HB       VAL  20  -0.680  -0.805  -7.616
  194   1HG1  VAL  20          1HG1      VAL  20  -1.792  -2.689  -9.726
  195   2HG1  VAL  20          2HG1      VAL  20  -2.691  -1.663  -8.601
  196   3HG1  VAL  20          3HG1      VAL  20  -1.721  -0.917  -9.872
  197   1HG2  VAL  20          1HG2      VAL  20   0.099  -2.849  -6.492
  198   2HG2  VAL  20          2HG2      VAL  20  -1.657  -2.853  -6.726
  199   3HG2  VAL  20          3HG2      VAL  20  -0.605  -3.838  -7.766
  200    H    GLU  21           H        GLU  21   0.589  -1.491 -11.490
  201    HA   GLU  21           HA       GLU  21   0.677  -4.403 -11.928
  202   1HB   GLU  21          2HB       GLU  21   0.354  -2.170 -13.933
  203   2HB   GLU  21          3HB       GLU  21   0.321  -3.895 -14.281
  204   1HG   GLU  21          2HG       GLU  21  -1.560  -4.042 -12.476
  205   2HG   GLU  21          3HG       GLU  21  -1.684  -2.290 -12.664
  206    H    LYS  22           H        LYS  22   1.943  -5.201 -13.872
  207    HA   LYS  22           HA       LYS  22   4.662  -5.266 -13.046
  208   1HB   LYS  22          2HB       LYS  22   2.974  -6.612 -15.224
  209   2HB   LYS  22          3HB       LYS  22   4.651  -6.997 -14.908
  210   1HG   LYS  22          2HG       LYS  22   4.095  -7.610 -12.582
  211   2HG   LYS  22          3HG       LYS  22   2.375  -7.305 -12.934
  212   1HD   LYS  22          2HD       LYS  22   2.722  -9.058 -14.832
  213   2HD   LYS  22          3HD       LYS  22   4.166  -9.539 -13.932
  214   1HE   LYS  22          2HE       LYS  22   1.383  -9.372 -12.676
  215   2HE   LYS  22          3HE       LYS  22   1.920 -10.808 -13.542
  216   1HZ   LYS  22          1HZ       LYS  22   3.270  -9.719 -11.129
  217   2HZ   LYS  22          2HZ       LYS  22   2.273 -10.995 -11.128
  218   3HZ   LYS  22          3HZ       LYS  22   3.707 -11.080 -11.930
  219    H    GLY  23           H        GLY  23   5.337  -3.176 -13.467
  220   1HA   GLY  23          1HA       GLY  23   7.212  -2.412 -15.040
  221   2HA   GLY  23          2HA       GLY  23   6.051  -2.602 -16.348
  222    H    GLY  24           H        GLY  24   4.287  -1.418 -13.775
  223   1HA   GLY  24          1HA       GLY  24   4.078   1.283 -14.801
  224   2HA   GLY  24          2HA       GLY  24   3.492   0.717 -13.230
  225    HA   PRO  25           HA       PRO  25   7.919   2.646 -12.820
  226   1HB   PRO  25          2HB       PRO  25   7.820   5.354 -13.256
  227   2HB   PRO  25          3HB       PRO  25   8.146   4.167 -14.557
  228   1HG   PRO  25          2HG       PRO  25   5.495   5.453 -13.828
  229   2HG   PRO  25          3HG       PRO  25   6.252   5.324 -15.450
  230   1HD   PRO  25          2HD       PRO  25   4.357   3.558 -14.609
  231   2HD   PRO  25          3HD       PRO  25   5.745   3.015 -15.600
  232    H    HIS  26           H        HIS  26   8.647   3.972 -10.972
  233    HA   HIS  26           HA       HIS  26   6.702   4.365  -8.828
  234   1HB   HIS  26          2HB       HIS  26   9.471   5.564  -9.000
  235   2HB   HIS  26          3HB       HIS  26   8.538   5.146  -7.560
  236    HD1  HIS  26           HD1      HIS  26   7.962   2.149  -7.872
  237    HD2  HIS  26           HD2      HIS  26  11.495   3.993  -9.225
  238    HE1  HIS  26           HE1      HIS  26   9.786   0.323  -7.954
  239    H    LYS  27           H        LYS  27   6.320   6.515  -7.836
  240    HA   LYS  27           HA       LYS  27   6.425   8.829  -9.709
  241   1HB   LYS  27          2HB       LYS  27   4.417   7.347 -10.190
  242   2HB   LYS  27          3HB       LYS  27   3.826   7.706  -8.581
  243   1HG   LYS  27          2HG       LYS  27   3.949  10.227  -9.356
  244   2HG   LYS  27          3HG       LYS  27   4.156   9.548 -10.977
  245   1HD   LYS  27          2HD       LYS  27   2.033   8.220 -10.631
  246   2HD   LYS  27          3HD       LYS  27   1.839   9.018  -9.055
  247   1HE   LYS  27          2HE       LYS  27   1.882  11.243 -10.263
  248   2HE   LYS  27          3HE       LYS  27   1.881  10.352 -11.796
  249   1HZ   LYS  27          1HZ       LYS  27  -0.209  10.289  -9.696
  250   2HZ   LYS  27          2HZ       LYS  27  -0.372  10.920 -11.203
  251   3HZ   LYS  27          3HZ       LYS  27  -0.223   9.283 -10.985
  252    H    VAL  28           H        VAL  28   4.078   9.147  -7.318
  253    HA   VAL  28           HA       VAL  28   5.677  11.028  -5.708
  254    HB   VAL  28           HB       VAL  28   2.857  10.029  -5.231
  255   1HG1  VAL  28          1HG1      VAL  28   4.305  12.503  -4.204
  256   2HG1  VAL  28          2HG1      VAL  28   2.589  12.123  -3.932
  257   3HG1  VAL  28          3HG1      VAL  28   3.836  11.090  -3.235
  258   1HG2  VAL  28          1HG2      VAL  28   2.882  11.116  -7.414
  259   2HG2  VAL  28          2HG2      VAL  28   2.106  12.180  -6.246
  260   3HG2  VAL  28          3HG2      VAL  28   3.781  12.498  -6.746
  261    H    GLY  29           H        GLY  29   4.357   7.753  -5.445
  262   1HA   GLY  29          1HA       GLY  29   6.291   7.221  -3.234
  263   2HA   GLY  29          2HA       GLY  29   4.698   6.447  -3.288
  264    HA   PRO  30           HA       PRO  30   7.797   3.856  -5.664
  265   1HB   PRO  30          2HB       PRO  30   7.663   1.550  -4.158
  266   2HB   PRO  30          3HB       PRO  30   8.742   2.929  -3.806
  267   1HG   PRO  30          2HG       PRO  30   6.034   2.315  -2.597
  268   2HG   PRO  30          3HG       PRO  30   7.571   2.733  -1.759
  269   1HD   PRO  30          2HD       PRO  30   5.672   4.620  -2.266
  270   2HD   PRO  30          3HD       PRO  30   7.394   4.991  -2.367
  271    H    ASN  31           H        ASN  31   7.268   1.297  -6.141
  272    HA   ASN  31           HA       ASN  31   4.516   1.131  -7.296
  273   1HB   ASN  31          2HB       ASN  31   6.477   0.755  -8.840
  274   2HB   ASN  31          3HB       ASN  31   6.949  -0.633  -7.837
  275   1HD2  ASN  31          2HD2      ASN  31   5.865  -0.299 -10.799
  276   2HD2  ASN  31          1HD2      ASN  31   4.580  -1.505 -10.738
  277    H    LEU  32           H        LEU  32   3.290  -0.767  -6.648
  278    HA   LEU  32           HA       LEU  32   4.065  -1.895  -3.987
  279   1HB   LEU  32          2HB       LEU  32   1.335  -1.563  -5.243
  280   2HB   LEU  32          3HB       LEU  32   1.665  -2.197  -3.635
  281    HG   LEU  32           HG       LEU  32   2.114   0.660  -4.625
  282   1HD1  LEU  32          1HD1      LEU  32   0.284  -0.514  -2.497
  283   2HD1  LEU  32          2HD1      LEU  32   0.404   1.202  -2.940
  284   3HD1  LEU  32          3HD1      LEU  32  -0.218   0.028  -4.114
  285   1HD2  LEU  32          1HD2      LEU  32   3.921   0.186  -3.048
  286   2HD2  LEU  32          2HD2      LEU  32   2.706   1.180  -2.241
  287   3HD2  LEU  32          3HD2      LEU  32   2.780  -0.567  -1.922
  288    H    HIS  33           H        HIS  33   4.079  -2.857  -7.158
  289    HA   HIS  33           HA       HIS  33   3.071  -5.521  -7.052
  290   1HB   HIS  33          2HB       HIS  33   3.605  -4.014  -9.101
  291   2HB   HIS  33          3HB       HIS  33   5.252  -4.587  -8.958
  292    HD1  HIS  33           HD1      HIS  33   1.715  -5.718  -9.702
  293    HD2  HIS  33           HD2      HIS  33   5.583  -7.356  -9.401
  294    HE1  HIS  33           HE1      HIS  33   1.545  -8.110 -10.543
  295    H    GLY  34           H        GLY  34   3.817  -6.683  -5.389
  296   1HA   GLY  34          1HA       GLY  34   5.347  -8.478  -4.809
  297   2HA   GLY  34          2HA       GLY  34   6.699  -7.517  -5.384
  298    H    ILE  35           H        ILE  35   4.510  -5.692  -3.411
  299    HA   ILE  35           HA       ILE  35   6.394  -5.465  -1.247
  300    HB   ILE  35           HB       ILE  35   4.609  -4.286  -0.015
  301   1HG1  ILE  35          2HG1      ILE  35   2.666  -3.602  -1.839
  302   2HG1  ILE  35          3HG1      ILE  35   2.807  -5.325  -2.153
  303   1HG2  ILE  35          1HG2      ILE  35   5.203  -3.390  -2.844
  304   2HG2  ILE  35          2HG2      ILE  35   4.606  -2.341  -1.532
  305   3HG2  ILE  35          3HG2      ILE  35   6.179  -3.125  -1.394
  306   1HD1  ILE  35          1HD1      ILE  35   2.287  -4.039   0.561
  307   2HD1  ILE  35          2HD1      ILE  35   1.082  -4.833  -0.478
  308   3HD1  ILE  35          3HD1      ILE  35   2.374  -5.784   0.258
  309    H    PHE  36           H        PHE  36   3.391  -7.415  -1.462
  310    HA   PHE  36           HA       PHE  36   3.241  -8.316   1.148
  311   1HB   PHE  36          2HB       PHE  36   2.342  -9.532  -1.473
  312   2HB   PHE  36          3HB       PHE  36   2.098 -10.356   0.056
  313    HD1  PHE  36           HD1      PHE  36   0.627  -7.995  -2.175
  314    HD2  PHE  36           HD2      PHE  36   0.961  -9.018   2.006
  315    HE1  PHE  36           HE1      PHE  36  -1.454  -6.752  -1.694
  316    HE2  PHE  36           HE2      PHE  36  -1.100  -7.736   2.485
  317    HZ   PHE  36           HZ       PHE  36  -2.338  -6.633   0.641
  318    H    GLY  37           H        GLY  37   4.210  -9.626   2.334
  319   1HA   GLY  37          1HA       GLY  37   5.645 -11.291   3.163
  320   2HA   GLY  37          2HA       GLY  37   5.857 -11.905   1.523
  321    H    ARG  38           H        ARG  38   6.681  -8.786   1.046
  322    HA   ARG  38           HA       ARG  38   9.543  -9.121   1.718
  323   1HB   ARG  38          2HB       ARG  38   8.203  -7.752  -0.361
  324   2HB   ARG  38          3HB       ARG  38   8.581  -6.455   0.755
  325   1HG   ARG  38          2HG       ARG  38  10.445  -6.541  -0.686
  326   2HG   ARG  38          3HG       ARG  38  10.984  -7.434   0.753
  327   1HD   ARG  38          2HD       ARG  38  10.128  -9.544  -0.477
  328   2HD   ARG  38          3HD       ARG  38  10.038  -8.529  -1.921
  329    HE   ARG  38           HE       ARG  38  12.587  -8.052  -1.126
  330   1HH1  ARG  38          1HH2      ARG  38  10.936 -11.096  -1.304
  331   2HH1  ARG  38          2HH2      ARG  38  12.364 -12.036  -1.645
  332   1HH2  ARG  38          1HH1      ARG  38  14.411  -9.234  -1.631
  333   2HH2  ARG  38          2HH1      ARG  38  14.326 -10.968  -1.845
  334    H    HIS  39           H        HIS  39  10.505  -7.079   2.641
  335    HA   HIS  39           HA       HIS  39   8.989  -6.170   5.037
  336   1HB   HIS  39          2HB       HIS  39  11.986  -6.174   4.572
  337   2HB   HIS  39          3HB       HIS  39  11.172  -5.371   5.904
  338    HD1  HIS  39           HD1      HIS  39  12.773  -8.629   5.261
  339    HD2  HIS  39           HD2      HIS  39   9.453  -7.154   7.374
  340    HE1  HIS  39           HE1      HIS  39  12.106 -10.441   6.916
  341    H    SER  40           H        SER  40   8.622  -3.961   5.215
  342    HA   SER  40           HA       SER  40   8.406  -2.340   2.985
  343   1HB   SER  40          2HB       SER  40   8.047  -0.510   4.531
  344   2HB   SER  40          3HB       SER  40   7.297  -1.979   5.163
  345    HG   SER  40           HG       SER  40   9.427  -0.491   6.111
  346    H    GLY  41           H        GLY  41   9.387  -0.451   2.280
  347   1HA   GLY  41          1HA       GLY  41  11.240   0.932   1.713
  348   2HA   GLY  41          2HA       GLY  41  12.191   0.150   2.959
  349    H    GLN  42           H        GLN  42  10.638  -1.568   0.201
  350    HA   GLN  42           HA       GLN  42  13.372  -2.229  -0.814
  351   1HB   GLN  42          2HB       GLN  42  11.084  -4.107  -0.177
  352   2HB   GLN  42          3HB       GLN  42  12.448  -4.558  -1.205
  353   1HG   GLN  42          2HG       GLN  42  13.993  -3.752   0.662
  354   2HG   GLN  42          3HG       GLN  42  12.570  -3.708   1.699
  355   1HE2  GLN  42          2HE2      GLN  42  13.302  -5.322   3.069
  356   2HE2  GLN  42          1HE2      GLN  42  13.646  -6.984   2.528
  357    H    ALA  43           H        ALA  43  11.079  -0.405  -2.094
  358    HA   ALA  43           HA       ALA  43  11.142  -1.558  -4.793
  359   1HB   ALA  43          1HB       ALA  43  10.528   1.269  -3.853
  360   2HB   ALA  43          2HB       ALA  43  10.307   0.637  -5.486
  361   3HB   ALA  43          3HB       ALA  43   9.349  -0.036  -4.142
  362    H    GLU  44           H        GLU  44  13.302  -2.102  -5.121
  363    HA   GLU  44           HA       GLU  44  15.582  -0.675  -4.615
  364   1HB   GLU  44          2HB       GLU  44  15.452  -2.986  -5.398
  365   2HB   GLU  44          3HB       GLU  44  15.108  -2.436  -7.048
  366   1HG   GLU  44          2HG       GLU  44  17.308  -1.366  -7.187
  367   2HG   GLU  44          3HG       GLU  44  17.604  -1.662  -5.474
  368    H    GLY  45           H        GLY  45  16.822   0.879  -5.485
  369   1HA   GLY  45          1HA       GLY  45  17.514   2.612  -6.876
  370   2HA   GLY  45          2HA       GLY  45  16.221   2.228  -8.006
  371    H    TYR  46           H        TYR  46  14.500   2.555  -5.236
  372    HA   TYR  46           HA       TYR  46  13.957   5.431  -5.787
  373   1HB   TYR  46          2HB       TYR  46  12.300   3.715  -6.377
  374   2HB   TYR  46          3HB       TYR  46  12.090   3.353  -4.675
  375    HD1  TYR  46           HD1      TYR  46  11.413   5.755  -7.376
  376    HD2  TYR  46           HD2      TYR  46  11.288   5.117  -3.144
  377    HE1  TYR  46           HE1      TYR  46   9.753   7.618  -7.160
  378    HE2  TYR  46           HE2      TYR  46   9.593   6.979  -2.908
  379    HH   TYR  46           HH       TYR  46   8.363   8.771  -5.736
  380    H    SER  47           H        SER  47  14.102   6.988  -4.415
  381    HA   SER  47           HA       SER  47  15.421   6.585  -1.903
  382   1HB   SER  47          2HB       SER  47  14.377   9.117  -3.199
  383   2HB   SER  47          3HB       SER  47  15.481   9.036  -1.805
  384    HG   SER  47           HG       SER  47  16.632   9.250  -3.802
  385    H    TYR  48           H        TYR  48  13.898   5.410  -0.670
  386    HA   TYR  48           HA       TYR  48  11.411   6.381   0.339
  387   1HB   TYR  48          2HB       TYR  48  13.483   4.422   1.353
  388   2HB   TYR  48          3HB       TYR  48  12.068   4.786   2.311
  389    HD1  TYR  48           HD1      TYR  48   9.878   4.063   1.712
  390    HD2  TYR  48           HD2      TYR  48  13.255   3.171  -0.797
  391    HE1  TYR  48           HE1      TYR  48   8.568   2.216   0.577
  392    HE2  TYR  48           HE2      TYR  48  11.919   1.474  -1.998
  393    HH   TYR  48           HH       TYR  48   8.881   0.198  -0.749
  394    H    THR  49           H        THR  49  10.904   6.885   2.568
  395    HA   THR  49           HA       THR  49  12.709   8.724   4.034
  396    HB   THR  49           HB       THR  49  11.022   8.638   5.825
  397    HG1  THR  49           1HG      THR  49   9.557   6.979   4.029
  398   1HG2  THR  49          1HG2      THR  49   9.700   9.152   3.153
  399   2HG2  THR  49          2HG2      THR  49   9.273   9.856   4.734
  400   3HG2  THR  49          3HG2      THR  49  10.810  10.287   3.969
  401    H    ASP  50           H        ASP  50  13.935   8.205   5.770
  402    HA   ASP  50           HA       ASP  50  14.769   5.583   6.384
  403   1HB   ASP  50          2HB       ASP  50  15.936   7.715   6.978
  404   2HB   ASP  50          3HB       ASP  50  14.722   8.000   8.230
  405    H    ALA  51           H        ALA  51  12.065   7.449   7.758
  406    HA   ALA  51           HA       ALA  51  11.339   5.782   9.892
  407   1HB   ALA  51          1HB       ALA  51   9.518   7.421   8.073
  408   2HB   ALA  51          2HB       ALA  51   9.176   6.899   9.741
  409   3HB   ALA  51          3HB       ALA  51  10.465   8.067   9.437
  410    H    ASN  52           H        ASN  52  10.508   5.324   6.414
  411    HA   ASN  52           HA       ASN  52   8.833   2.985   7.047
  412   1HB   ASN  52          2HB       ASN  52   8.330   4.569   5.166
  413   2HB   ASN  52          3HB       ASN  52   9.783   3.992   4.341
  414   1HD2  ASN  52          2HD2      ASN  52   8.342   3.169   2.552
  415   2HD2  ASN  52          1HD2      ASN  52   7.628   1.564   2.908
  416    H    ILE  53           H        ILE  53  12.124   3.559   5.908
  417    HA   ILE  53           HA       ILE  53  12.834   0.810   5.402
  418    HB   ILE  53           HB       ILE  53  14.526   3.160   6.267
  419   1HG1  ILE  53          2HG1      ILE  53  14.256   1.952   3.469
  420   2HG1  ILE  53          3HG1      ILE  53  13.310   3.327   4.012
  421   1HG2  ILE  53          1HG2      ILE  53  15.438   0.489   5.093
  422   2HG2  ILE  53          2HG2      ILE  53  16.494   1.871   5.459
  423   3HG2  ILE  53          3HG2      ILE  53  15.701   1.021   6.768
  424   1HD1  ILE  53          1HD1      ILE  53  16.344   3.269   3.755
  425   2HD1  ILE  53          2HD1      ILE  53  15.203   4.141   2.736
  426   3HD1  ILE  53          3HD1      ILE  53  15.404   4.622   4.427
  427    H    LYS  54           H        LYS  54  13.535   2.832   8.245
  428    HA   LYS  54           HA       LYS  54  14.318   0.804  10.088
  429   1HB   LYS  54          2HB       LYS  54  12.989   3.490  10.549
  430   2HB   LYS  54          3HB       LYS  54  13.733   2.518  11.819
  431   1HG   LYS  54          2HG       LYS  54  15.283   3.431   9.362
  432   2HG   LYS  54          3HG       LYS  54  15.105   4.398  10.820
  433   1HD   LYS  54          2HD       LYS  54  16.303   2.818  12.160
  434   2HD   LYS  54          3HD       LYS  54  16.254   1.589  10.890
  435   1HE   LYS  54          2HE       LYS  54  18.479   2.672  11.052
  436   2HE   LYS  54          3HE       LYS  54  17.717   2.848   9.458
  437   1HZ   LYS  54          1HZ       LYS  54  17.576   5.027  11.470
  438   2HZ   LYS  54          2HZ       LYS  54  18.702   4.950  10.244
  439   3HZ   LYS  54          3HZ       LYS  54  17.138   5.068   9.921
  440    H    LYS  55           H        LYS  55  11.279   1.119   8.693
  441    HA   LYS  55           HA       LYS  55   9.821   0.046  11.053
  442   1HB   LYS  55          2HB       LYS  55   8.940   1.576   8.846
  443   2HB   LYS  55          3HB       LYS  55   8.381  -0.041   8.480
  444   1HG   LYS  55          2HG       LYS  55   6.652   1.008   9.789
  445   2HG   LYS  55          3HG       LYS  55   7.449  -0.144  10.857
  446   1HD   LYS  55          2HD       LYS  55   8.958   2.214  11.220
  447   2HD   LYS  55          3HD       LYS  55   7.338   2.835  11.005
  448   1HE   LYS  55          2HE       LYS  55   8.203   0.701  13.013
  449   2HE   LYS  55          3HE       LYS  55   7.965   2.415  13.381
  450   1HZ   LYS  55          1HZ       LYS  55   5.856   0.538  12.481
  451   2HZ   LYS  55          2HZ       LYS  55   5.998   1.199  13.979
  452   3HZ   LYS  55          3HZ       LYS  55   5.623   2.147  12.694
  453    H    ASN  56           H        ASN  56  11.356  -1.099   8.155
  454    HA   ASN  56           HA       ASN  56  10.873  -2.998   6.880
  455   1HB   ASN  56          2HB       ASN  56  12.503  -3.758   9.316
  456   2HB   ASN  56          3HB       ASN  56  12.265  -4.861   7.976
  457   1HD2  ASN  56          2HD2      ASN  56  12.488  -2.764   5.715
  458   2HD2  ASN  56          1HD2      ASN  56  14.186  -2.398   5.902
  459    H    VAL  57           H        VAL  57   8.531  -2.645   7.459
  460    HA   VAL  57           HA       VAL  57   7.280  -4.712   9.095
  461    HB   VAL  57           HB       VAL  57   6.426  -2.253   7.813
  462   1HG1  VAL  57          1HG1      VAL  57   4.517  -4.581   7.350
  463   2HG1  VAL  57          2HG1      VAL  57   4.056  -2.869   7.372
  464   3HG1  VAL  57          3HG1      VAL  57   5.184  -3.460   6.162
  465   1HG2  VAL  57          1HG2      VAL  57   6.307  -2.711  10.186
  466   2HG2  VAL  57          2HG2      VAL  57   4.668  -2.447   9.542
  467   3HG2  VAL  57          3HG2      VAL  57   5.216  -4.083   9.924
  468    H    LEU  58           H        LEU  58   6.948  -6.685   8.563
  469    HA   LEU  58           HA       LEU  58   7.223  -7.688   5.864
  470   1HB   LEU  58          2HB       LEU  58   7.741  -8.975   7.955
  471   2HB   LEU  58          3HB       LEU  58   6.014  -9.182   8.218
  472    HG   LEU  58           HG       LEU  58   7.343  -9.966   5.579
  473   1HD1  LEU  58          1HD1      LEU  58   7.047 -11.721   8.050
  474   2HD1  LEU  58          2HD1      LEU  58   7.612 -12.241   6.444
  475   3HD1  LEU  58          3HD1      LEU  58   8.573 -11.091   7.385
  476   1HD2  LEU  58          1HD2      LEU  58   4.895 -10.011   5.496
  477   2HD2  LEU  58          2HD2      LEU  58   5.491 -11.664   5.543
  478   3HD2  LEU  58          3HD2      LEU  58   4.822 -10.930   7.014
  479    H    TRP  59           H        TRP  59   5.811  -6.976   4.407
  480    HA   TRP  59           HA       TRP  59   3.173  -6.074   4.998
  481   1HB   TRP  59          2HB       TRP  59   4.467  -6.853   2.401
  482   2HB   TRP  59          3HB       TRP  59   2.876  -6.099   2.508
  483    HD1  TRP  59           HD1      TRP  59   6.307  -5.119   1.894
  484    HE1  TRP  59           HE1      TRP  59   6.702  -2.600   2.391
  485    HE3  TRP  59           HE3      TRP  59   2.075  -4.112   4.574
  486    HZ2  TRP  59           HZ2      TRP  59   5.544  -0.581   4.025
  487    HZ3  TRP  59           HZ3      TRP  59   1.794  -1.949   5.700
  488    HH2  TRP  59           HH2      TRP  59   3.516  -0.143   5.432
  489    H    ASP  60           H        ASP  60   1.577  -7.216   5.659
  490    HA   ASP  60           HA       ASP  60   0.832  -9.883   4.570
  491   1HB   ASP  60          2HB       ASP  60   1.915 -10.606   6.473
  492   2HB   ASP  60          3HB       ASP  60   1.731  -9.056   7.287
  493    H    GLU  61           H        GLU  61  -1.436 -10.377   5.720
  494    HA   GLU  61           HA       GLU  61  -3.226  -8.317   4.596
  495   1HB   GLU  61          2HB       GLU  61  -5.042  -9.843   4.926
  496   2HB   GLU  61          3HB       GLU  61  -3.717 -10.608   4.087
  497   1HG   GLU  61          2HG       GLU  61  -4.016 -12.330   5.447
  498   2HG   GLU  61          3HG       GLU  61  -3.183 -11.396   6.675
  499    H    ASN  62           H        ASN  62  -2.686  -9.676   7.887
  500    HA   ASN  62           HA       ASN  62  -4.516  -7.836   9.177
  501   1HB   ASN  62          2HB       ASN  62  -2.287  -9.702  10.058
  502   2HB   ASN  62          3HB       ASN  62  -2.763  -8.429  11.160
  503   1HD2  ASN  62          2HD2      ASN  62  -5.418  -8.298  11.205
  504   2HD2  ASN  62          1HD2      ASN  62  -6.132  -9.869  11.537
  505    H    ASN  63           H        ASN  63  -0.982  -7.912   8.856
  506    HA   ASN  63           HA       ASN  63  -0.503  -5.451  10.193
  507   1HB   ASN  63          2HB       ASN  63   1.021  -7.439   9.859
  508   2HB   ASN  63          3HB       ASN  63   1.224  -6.953   8.173
  509   1HD2  ASN  63          2HD2      ASN  63   3.496  -6.794   8.467
  510   2HD2  ASN  63          1HD2      ASN  63   4.113  -5.382   9.341
  511    H    MET  64           H        MET  64  -0.773  -6.021   6.611
  512    HA   MET  64           HA       MET  64  -0.225  -3.237   5.975
  513   1HB   MET  64          2HB       MET  64  -0.016  -5.167   4.337
  514   2HB   MET  64          3HB       MET  64  -1.784  -5.212   4.302
  515   1HG   MET  64          2HG       MET  64  -1.698  -2.748   3.625
  516   2HG   MET  64          3HG       MET  64   0.047  -2.970   3.432
  517   1HE   MET  64          1HE       MET  64   0.533  -2.639   1.087
  518   2HE   MET  64          2HE       MET  64  -0.571  -2.945  -0.275
  519   3HE   MET  64          3HE       MET  64  -1.030  -1.804   1.014
  520    H    SER  65           H        SER  65  -3.275  -5.114   6.661
  521    HA   SER  65           HA       SER  65  -4.933  -2.846   5.948
  522   1HB   SER  65          2HB       SER  65  -5.685  -5.236   5.991
  523   2HB   SER  65          3HB       SER  65  -5.682  -5.156   7.770
  524    HG   SER  65           HG       SER  65  -7.712  -4.690   6.773
  525    H    GLU  66           H        GLU  66  -3.335  -3.770   8.994
  526    HA   GLU  66           HA       GLU  66  -4.502  -1.604  10.540
  527   1HB   GLU  66          2HB       GLU  66  -3.425  -3.468  11.664
  528   2HB   GLU  66          3HB       GLU  66  -1.918  -3.166  10.819
  529   1HG   GLU  66          2HG       GLU  66  -1.831  -2.378  13.141
  530   2HG   GLU  66          3HG       GLU  66  -1.521  -1.123  11.961
  531    H    TYR  67           H        TYR  67  -1.350  -1.850   8.719
  532    HA   TYR  67           HA       TYR  67  -0.538   0.833   9.018
  533   1HB   TYR  67          2HB       TYR  67   0.922  -0.766   8.007
  534   2HB   TYR  67          3HB       TYR  67  -0.219  -1.104   6.722
  535    HD1  TYR  67           HD1      TYR  67   0.007  -0.053   4.636
  536    HD2  TYR  67           HD2      TYR  67   1.794   1.695   8.114
  537    HE1  TYR  67           HE1      TYR  67   1.182   1.591   3.181
  538    HE2  TYR  67           HE2      TYR  67   2.942   3.413   6.658
  539    HH   TYR  67           HH       TYR  67   3.110   3.050   3.232
  540    H    LEU  68           H        LEU  68  -2.629  -0.409   6.391
  541    HA   LEU  68           HA       LEU  68  -3.151   2.188   5.259
  542   1HB   LEU  68          2HB       LEU  68  -4.663  -0.435   5.001
  543   2HB   LEU  68          3HB       LEU  68  -4.952   0.996   4.013
  544    HG   LEU  68           HG       LEU  68  -2.340  -0.573   4.072
  545   1HD1  LEU  68          1HD1      LEU  68  -4.551  -0.416   1.990
  546   2HD1  LEU  68          2HD1      LEU  68  -3.018  -1.298   1.814
  547   3HD1  LEU  68          3HD1      LEU  68  -4.192  -1.804   3.036
  548   1HD2  LEU  68          1HD2      LEU  68  -1.909   1.782   3.502
  549   2HD2  LEU  68          2HD2      LEU  68  -1.742   0.759   2.081
  550   3HD2  LEU  68          3HD2      LEU  68  -3.215   1.743   2.293
  551    H    THR  69           H        THR  69  -4.452   0.854   8.136
  552    HA   THR  69           HA       THR  69  -6.979   2.303   8.106
  553    HB   THR  69           HB       THR  69  -5.893   0.324   9.700
  554    HG1  THR  69           1HG      THR  69  -7.806   0.309  10.541
  555   1HG2  THR  69          1HG2      THR  69  -6.295   2.717  11.538
  556   2HG2  THR  69          2HG2      THR  69  -6.038   1.024  12.004
  557   3HG2  THR  69          3HG2      THR  69  -4.734   1.910  11.235
  558    H    ASN  70           H        ASN  70  -3.693   3.002   9.231
  559    HA   ASN  70           HA       ASN  70  -4.102   5.852   9.002
  560   1HB   ASN  70          2HB       ASN  70  -5.142   5.358  11.235
  561   2HB   ASN  70          3HB       ASN  70  -3.549   4.864  11.821
  562   1HD2  ASN  70          2HD2      ASN  70  -5.451   7.221  12.406
  563   2HD2  ASN  70          1HD2      ASN  70  -4.369   8.612  12.188
  564    HA   PRO  71           HA       PRO  71  -0.005   3.912   8.237
  565   1HB   PRO  71          2HB       PRO  71   0.679   5.338   5.946
  566   2HB   PRO  71          3HB       PRO  71  -0.293   3.834   5.991
  567   1HG   PRO  71          2HG       PRO  71  -1.269   6.667   5.739
  568   2HG   PRO  71          3HG       PRO  71  -1.886   5.162   4.967
  569   1HD   PRO  71          2HD       PRO  71  -3.082   6.329   7.127
  570   2HD   PRO  71          3HD       PRO  71  -3.132   4.571   6.796
  571    H    LYS  72           H        LYS  72  -0.834   7.288   8.381
  572    HA   LYS  72           HA       LYS  72   1.762   8.399   8.953
  573   1HB   LYS  72          2HB       LYS  72  -0.316   9.556   8.082
  574   2HB   LYS  72          3HB       LYS  72  -1.000   9.451   9.709
  575   1HG   LYS  72          2HG       LYS  72   0.791  10.856  10.597
  576   2HG   LYS  72          3HG       LYS  72   1.639  10.849   9.041
  577   1HD   LYS  72          2HD       LYS  72  -1.175  11.968   9.450
  578   2HD   LYS  72          3HD       LYS  72   0.295  12.937   9.545
  579   1HE   LYS  72          2HE       LYS  72   0.378  13.207   7.341
  580   2HE   LYS  72          3HE       LYS  72   0.460  11.465   7.090
  581   1HZ   LYS  72          1HZ       LYS  72  -2.135  12.866   7.470
  582   2HZ   LYS  72          2HZ       LYS  72  -1.467  12.605   5.996
  583   3HZ   LYS  72          3HZ       LYS  72  -1.873  11.333   6.881
  584    H    LYS  73           H        LYS  73  -0.758   7.146  11.084
  585    HA   LYS  73           HA       LYS  73   0.701   7.592  13.586
  586   1HB   LYS  73          2HB       LYS  73  -1.644   7.276  13.705
  587   2HB   LYS  73          3HB       LYS  73  -1.616   5.840  12.711
  588   1HG   LYS  73          2HG       LYS  73  -0.336   5.766  15.449
  589   2HG   LYS  73          3HG       LYS  73  -2.083   5.679  15.242
  590   1HD   LYS  73          2HD       LYS  73  -1.625   3.738  13.555
  591   2HD   LYS  73          3HD       LYS  73  -0.020   3.668  14.309
  592   1HE   LYS  73          2HE       LYS  73  -1.109   3.390  16.539
  593   2HE   LYS  73          3HE       LYS  73  -2.697   3.467  15.757
  594   1HZ   LYS  73          1HZ       LYS  73  -0.676   1.346  15.211
  595   2HZ   LYS  73          2HZ       LYS  73  -2.057   1.149  16.084
  596   3HZ   LYS  73          3HZ       LYS  73  -2.148   1.432  14.533
  597    H    TYR  74           H        TYR  74   0.448   4.847  11.333
  598    HA   TYR  74           HA       TYR  74   2.069   3.080  12.884
  599   1HB   TYR  74          2HB       TYR  74   0.478   2.681  10.828
  600   2HB   TYR  74          3HB       TYR  74   1.921   2.961   9.875
  601    HD1  TYR  74           HD1      TYR  74   4.040   1.485  10.513
  602    HD2  TYR  74           HD2      TYR  74  -0.015   0.547  11.647
  603    HE1  TYR  74           HE1      TYR  74   4.718  -0.860  11.059
  604    HE2  TYR  74           HE2      TYR  74   0.669  -1.830  12.066
  605    HH   TYR  74           HH       TYR  74   2.584  -3.420  11.403
  606    H    ILE  75           H        ILE  75   2.934   5.424  10.391
  607    HA   ILE  75           HA       ILE  75   5.834   5.171  11.034
  608    HB   ILE  75           HB       ILE  75   4.727   5.629   8.251
  609   1HG1  ILE  75          2HG1      ILE  75   5.615   3.042   9.549
  610   2HG1  ILE  75          3HG1      ILE  75   4.058   3.407   8.811
  611   1HG2  ILE  75          1HG2      ILE  75   7.504   4.924   9.327
  612   2HG2  ILE  75          2HG2      ILE  75   7.108   5.230   7.623
  613   3HG2  ILE  75          3HG2      ILE  75   7.008   6.540   8.785
  614   1HD1  ILE  75          1HD1      ILE  75   6.689   2.962   7.401
  615   2HD1  ILE  75          2HD1      ILE  75   5.206   2.016   7.281
  616   3HD1  ILE  75          3HD1      ILE  75   5.266   3.653   6.587
  617    HA   PRO  76           HA       PRO  76   4.399   9.547  11.604
  618   1HB   PRO  76          2HB       PRO  76   5.927  10.133  13.812
  619   2HB   PRO  76          3HB       PRO  76   4.322   9.343  13.892
  620   1HG   PRO  76          2HG       PRO  76   7.053   8.033  13.970
  621   2HG   PRO  76          3HG       PRO  76   5.644   7.727  15.035
  622   1HD   PRO  76          2HD       PRO  76   6.224   6.133  12.907
  623   2HD   PRO  76          3HD       PRO  76   4.532   6.496  13.356
  624    H    GLY  77           H        GLY  77   5.345  10.852  10.159
  625   1HA   GLY  77          1HA       GLY  77   7.193  12.184   9.299
  626   2HA   GLY  77          2HA       GLY  77   8.334  11.012   9.936
  627    H    THR  78           H        THR  78   5.868   9.229   8.453
  628    HA   THR  78           HA       THR  78   7.309   8.535   6.086
  629    HB   THR  78           HB       THR  78   5.523   7.153   6.990
  630    HG1  THR  78           1HG      THR  78   4.785   6.525   5.100
  631   1HG2  THR  78          1HG2      THR  78   3.491   9.101   5.825
  632   2HG2  THR  78          2HG2      THR  78   3.172   7.569   6.660
  633   3HG2  THR  78          3HG2      THR  78   3.815   8.958   7.555
  634    H    LYS  79           H        LYS  79   7.202   9.175   4.020
  635    HA   LYS  79           HA       LYS  79   6.297  11.862   3.291
  636   1HB   LYS  79          2HB       LYS  79   8.296  10.681   2.334
  637   2HB   LYS  79          3HB       LYS  79   7.216   9.564   1.505
  638   1HG   LYS  79          2HG       LYS  79   6.255  11.630   0.323
  639   2HG   LYS  79          3HG       LYS  79   7.551  12.567   1.055
  640   1HD   LYS  79          2HD       LYS  79   7.976  10.160  -0.792
  641   2HD   LYS  79          3HD       LYS  79   7.849  11.812  -1.334
  642   1HE   LYS  79          2HE       LYS  79  10.100  11.428  -1.367
  643   2HE   LYS  79          3HE       LYS  79   9.880  12.372   0.110
  644   1HZ   LYS  79          1HZ       LYS  79  10.019   9.389   0.105
  645   2HZ   LYS  79          2HZ       LYS  79  11.368  10.287   0.237
  646   3HZ   LYS  79          3HZ       LYS  79  10.156  10.333   1.371
  647    H    MET  80           H        MET  80   4.666   8.823   3.535
  648    HA   MET  80           HA       MET  80   2.589   9.298   1.597
  649   1HB   MET  80          2HB       MET  80   3.215   7.049   2.355
  650   2HB   MET  80          3HB       MET  80   2.674   7.416   3.990
  651   1HG   MET  80          2HG       MET  80   0.455   7.453   3.433
  652   2HG   MET  80          3HG       MET  80   0.743   7.883   1.750
  653   1HE   MET  80          1HE       MET  80  -1.408   6.160   1.413
  654   2HE   MET  80          2HE       MET  80  -1.360   4.484   2.033
  655   3HE   MET  80          3HE       MET  80  -1.275   5.873   3.142
  656    H    ALA  81           H        ALA  81   2.192  11.517   2.123
  657    HA   ALA  81           HA       ALA  81   1.089  12.497   4.456
  658   1HB   ALA  81          1HB       ALA  81   0.569  13.418   1.589
  659   2HB   ALA  81          2HB       ALA  81   0.391  14.419   3.042
  660   3HB   ALA  81          3HB       ALA  81   1.995  13.840   2.563
  661    H    PHE  82           H        PHE  82  -0.383  10.229   2.953
  662    HA   PHE  82           HA       PHE  82  -3.156  10.884   2.554
  663   1HB   PHE  82          2HB       PHE  82  -1.954   8.992   1.511
  664   2HB   PHE  82          3HB       PHE  82  -1.764   8.242   3.090
  665    HD1  PHE  82           HD1      PHE  82  -4.478   9.517   0.780
  666    HD2  PHE  82           HD2      PHE  82  -3.294   6.568   3.705
  667    HE1  PHE  82           HE1      PHE  82  -6.593   8.284   0.410
  668    HE2  PHE  82           HE2      PHE  82  -5.373   5.309   3.272
  669    HZ   PHE  82           HZ       PHE  82  -7.052   6.175   1.690
  670    H    GLY  83           H        GLY  83  -4.993  10.065   3.753
  671   1HA   GLY  83          1HA       GLY  83  -4.791  10.649   6.635
  672   2HA   GLY  83          2HA       GLY  83  -6.269  10.348   5.716
  673    H    GLY  84           H        GLY  84  -6.103   7.936   4.706
  674   1HA   GLY  84          1HA       GLY  84  -5.323   5.595   5.596
  675   2HA   GLY  84          2HA       GLY  84  -6.115   6.160   7.066
  676    H    LEU  85           H        LEU  85  -6.859   3.919   5.377
  677    HA   LEU  85           HA       LEU  85  -9.685   4.606   4.704
  678   1HB   LEU  85          2HB       LEU  85  -7.970   2.156   4.094
  679   2HB   LEU  85          3HB       LEU  85  -9.679   2.313   3.733
  680    HG   LEU  85           HG       LEU  85  -7.403   3.887   2.467
  681   1HD1  LEU  85          1HD1      LEU  85  -9.376   1.826   1.372
  682   2HD1  LEU  85          2HD1      LEU  85  -8.136   2.672   0.427
  683   3HD1  LEU  85          3HD1      LEU  85  -7.653   1.547   1.708
  684   1HD2  LEU  85          1HD2      LEU  85  -9.371   5.356   2.586
  685   2HD2  LEU  85          2HD2      LEU  85  -9.139   4.784   0.931
  686   3HD2  LEU  85          3HD2      LEU  85 -10.401   4.042   1.945
  687    H    LYS  86           H        LYS  86 -10.383   4.753   6.910
  688    HA   LYS  86           HA       LYS  86  -9.818   2.738   8.888
  689   1HB   LYS  86          2HB       LYS  86 -11.799   4.998   8.621
  690   2HB   LYS  86          3HB       LYS  86 -12.210   3.751   9.767
  691   1HG   LYS  86          2HG       LYS  86  -9.419   4.416  10.211
  692   2HG   LYS  86          3HG       LYS  86 -10.333   5.915  10.063
  693   1HD   LYS  86          2HD       LYS  86 -10.321   5.262  12.390
  694   2HD   LYS  86          3HD       LYS  86 -11.965   5.066  11.764
  695   1HE   LYS  86          2HE       LYS  86 -11.292   2.577  11.324
  696   2HE   LYS  86          3HE       LYS  86  -9.872   2.908  12.312
  697   1HZ   LYS  86          1HZ       LYS  86 -12.698   3.178  13.203
  698   2HZ   LYS  86          2HZ       LYS  86 -11.687   1.962  13.612
  699   3HZ   LYS  86          3HZ       LYS  86 -11.384   3.490  14.145
  700    H    LYS  87           H        LYS  87 -12.570   2.952   6.764
  701    HA   LYS  87           HA       LYS  87 -14.350   1.058   7.891
  702   1HB   LYS  87          2HB       LYS  87 -13.805   1.980   5.060
  703   2HB   LYS  87          3HB       LYS  87 -15.165   0.916   5.440
  704   1HG   LYS  87          2HG       LYS  87 -16.266   2.671   6.691
  705   2HG   LYS  87          3HG       LYS  87 -14.819   3.697   6.616
  706   1HD   LYS  87          2HD       LYS  87 -16.387   4.493   4.951
  707   2HD   LYS  87          3HD       LYS  87 -14.991   3.785   4.137
  708   1HE   LYS  87          2HE       LYS  87 -16.401   1.623   3.938
  709   2HE   LYS  87          3HE       LYS  87 -17.780   2.604   4.468
  710   1HZ   LYS  87          1HZ       LYS  87 -16.166   2.888   1.984
  711   2HZ   LYS  87          2HZ       LYS  87 -17.752   2.581   2.095
  712   3HZ   LYS  87          3HZ       LYS  87 -17.179   4.078   2.497
  713    H    GLU  88           H        GLU  88 -14.049  -1.060   8.277
  714    HA   GLU  88           HA       GLU  88 -12.168  -2.802   7.348
  715   1HB   GLU  88          2HB       GLU  88 -15.006  -3.297   8.298
  716   2HB   GLU  88          3HB       GLU  88 -13.915  -4.610   7.894
  717   1HG   GLU  88          2HG       GLU  88 -13.876  -4.227  10.282
  718   2HG   GLU  88          3HG       GLU  88 -12.299  -3.903   9.569
  719    H    LYS  89           H        LYS  89 -15.412  -2.432   5.789
  720    HA   LYS  89           HA       LYS  89 -14.946  -4.410   3.767
  721   1HB   LYS  89          2HB       LYS  89 -16.886  -2.081   3.642
  722   2HB   LYS  89          3HB       LYS  89 -16.953  -3.630   2.801
  723   1HG   LYS  89          2HG       LYS  89 -16.815  -4.547   5.309
  724   2HG   LYS  89          3HG       LYS  89 -17.553  -2.996   5.679
  725   1HD   LYS  89          2HD       LYS  89 -19.457  -3.527   4.176
  726   2HD   LYS  89          3HD       LYS  89 -18.679  -5.070   3.741
  727   1HE   LYS  89          2HE       LYS  89 -18.709  -5.725   6.167
  728   2HE   LYS  89          3HE       LYS  89 -19.592  -4.243   6.543
  729   1HZ   LYS  89          1HZ       LYS  89 -20.550  -6.368   4.704
  730   2HZ   LYS  89          2HZ       LYS  89 -21.067  -6.181   6.252
  731   3HZ   LYS  89          3HZ       LYS  89 -21.406  -5.030   5.138
  732    H    ASP  90           H        ASP  90 -14.580  -0.984   3.753
  733    HA   ASP  90           HA       ASP  90 -13.831  -0.513   0.992
  734   1HB   ASP  90          2HB       ASP  90 -14.232   1.056   3.211
  735   2HB   ASP  90          3HB       ASP  90 -12.487   1.221   3.015
  736    H    ARG  91           H        ARG  91 -11.803  -1.024   3.897
  737    HA   ARG  91           HA       ARG  91  -9.276  -1.444   2.672
  738   1HB   ARG  91          2HB       ARG  91 -10.439  -2.650   5.204
  739   2HB   ARG  91          3HB       ARG  91  -8.737  -2.728   4.760
  740   1HG   ARG  91          2HG       ARG  91  -8.355  -0.461   5.182
  741   2HG   ARG  91          3HG       ARG  91 -10.038  -0.015   4.919
  742   1HD   ARG  91          2HD       ARG  91  -9.804   0.128   7.258
  743   2HD   ARG  91          3HD       ARG  91 -10.675  -1.339   6.951
  744    HE   ARG  91           HE       ARG  91  -7.806  -1.811   7.281
  745   1HH1  ARG  91          1HH2      ARG  91 -10.598  -0.831   9.129
  746   2HH1  ARG  91          2HH2      ARG  91 -10.418  -1.974  10.383
  747   1HH2  ARG  91          1HH1      ARG  91  -7.160  -2.739   9.104
  748   2HH2  ARG  91          2HH1      ARG  91  -8.214  -2.877  10.506
  749    H    ASN  92           H        ASN  92 -11.661  -4.002   3.632
  750    HA   ASN  92           HA       ASN  92  -9.990  -6.150   2.770
  751   1HB   ASN  92          2HB       ASN  92 -12.939  -5.946   3.418
  752   2HB   ASN  92          3HB       ASN  92 -12.291  -7.397   2.679
  753   1HD2  ASN  92          2HD2      ASN  92 -11.722  -5.300   5.538
  754   2HD2  ASN  92          1HD2      ASN  92 -11.109  -6.664   6.499
  755    H    ASP  93           H        ASP  93 -12.507  -4.339   0.862
  756    HA   ASP  93           HA       ASP  93 -12.164  -5.952  -1.527
  757   1HB   ASP  93          2HB       ASP  93 -13.153  -3.142  -0.944
  758   2HB   ASP  93          3HB       ASP  93 -12.918  -3.724  -2.577
  759    H    LEU  94           H        LEU  94 -10.530  -2.976  -0.316
  760    HA   LEU  94           HA       LEU  94  -8.763  -2.560  -2.466
  761   1HB   LEU  94          2HB       LEU  94  -9.180  -1.398   0.047
  762   2HB   LEU  94          3HB       LEU  94  -7.582  -2.055   0.219
  763    HG   LEU  94           HG       LEU  94  -7.604   0.287  -0.443
  764   1HD1  LEU  94          1HD1      LEU  94  -6.547  -1.385  -2.734
  765   2HD1  LEU  94          2HD1      LEU  94  -6.068   0.276  -2.318
  766   3HD1  LEU  94          3HD1      LEU  94  -5.681  -1.060  -1.214
  767   1HD2  LEU  94          1HD2      LEU  94  -9.767  -0.041  -1.827
  768   2HD2  LEU  94          2HD2      LEU  94  -8.553   1.141  -2.396
  769   3HD2  LEU  94          3HD2      LEU  94  -8.696  -0.448  -3.170
  770    H    ILE  95           H        ILE  95  -8.115  -4.434   0.506
  771    HA   ILE  95           HA       ILE  95  -5.609  -5.556  -0.307
  772    HB   ILE  95           HB       ILE  95  -7.731  -6.583   1.604
  773   1HG1  ILE  95          2HG1      ILE  95  -6.747  -4.419   2.288
  774   2HG1  ILE  95          3HG1      ILE  95  -6.400  -5.723   3.402
  775   1HG2  ILE  95          1HG2      ILE  95  -4.893  -7.610   1.200
  776   2HG2  ILE  95          2HG2      ILE  95  -5.899  -7.979   2.617
  777   3HG2  ILE  95          3HG2      ILE  95  -6.406  -8.514   1.017
  778   1HD1  ILE  95          1HD1      ILE  95  -4.438  -4.581   1.366
  779   2HD1  ILE  95          2HD1      ILE  95  -4.470  -4.245   3.106
  780   3HD1  ILE  95          3HD1      ILE  95  -4.082  -5.872   2.542
  781    H    THR  96           H        THR  96  -8.929  -6.764  -0.865
  782    HA   THR  96           HA       THR  96  -8.162  -9.241  -2.114
  783    HB   THR  96           HB       THR  96 -10.646  -7.601  -2.764
  784    HG1  THR  96           1HG      THR  96 -10.447  -8.042  -0.546
  785   1HG2  THR  96          1HG2      THR  96 -10.074 -10.597  -2.928
  786   2HG2  THR  96          2HG2      THR  96 -11.650  -9.828  -3.198
  787   3HG2  THR  96          3HG2      THR  96 -10.311  -9.506  -4.312
  788    H    TYR  97           H        TYR  97  -8.569  -5.982  -3.499
  789    HA   TYR  97           HA       TYR  97  -7.791  -6.776  -6.207
  790   1HB   TYR  97          2HB       TYR  97  -8.993  -4.736  -5.969
  791   2HB   TYR  97          3HB       TYR  97  -7.866  -4.104  -4.780
  792    HD1  TYR  97           HD1      TYR  97  -7.741  -5.484  -8.302
  793    HD2  TYR  97           HD2      TYR  97  -6.316  -2.509  -5.519
  794    HE1  TYR  97           HE1      TYR  97  -6.482  -4.383 -10.131
  795    HE2  TYR  97           HE2      TYR  97  -4.977  -1.468  -7.355
  796    HH   TYR  97           HH       TYR  97  -5.222  -2.561 -10.732
  797    H    LEU  98           H        LEU  98  -5.998  -5.144  -3.534
  798    HA   LEU  98           HA       LEU  98  -3.643  -4.869  -5.008
  799   1HB   LEU  98          2HB       LEU  98  -4.585  -4.265  -2.339
  800   2HB   LEU  98          3HB       LEU  98  -3.090  -5.092  -2.138
  801    HG   LEU  98           HG       LEU  98  -2.831  -2.672  -2.134
  802   1HD1  LEU  98          1HD1      LEU  98  -1.534  -3.909  -4.586
  803   2HD1  LEU  98          2HD1      LEU  98  -1.016  -2.424  -3.764
  804   3HD1  LEU  98          3HD1      LEU  98  -0.930  -3.986  -2.925
  805   1HD2  LEU  98          1HD2      LEU  98  -4.713  -2.165  -3.702
  806   2HD2  LEU  98          2HD2      LEU  98  -3.222  -1.261  -4.032
  807   3HD2  LEU  98          3HD2      LEU  98  -3.670  -2.636  -5.054
  808    H    LYS  99           H        LYS  99  -4.578  -7.522  -2.931
  809    HA   LYS  99           HA       LYS  99  -2.131  -9.054  -3.234
  810   1HB   LYS  99          2HB       LYS  99  -3.875  -9.575  -1.528
  811   2HB   LYS  99          3HB       LYS  99  -4.972 -10.107  -2.821
  812   1HG   LYS  99          2HG       LYS  99  -3.363 -11.841  -3.506
  813   2HG   LYS  99          3HG       LYS  99  -2.169 -11.210  -2.357
  814   1HD   LYS  99          2HD       LYS  99  -3.552 -11.925  -0.464
  815   2HD   LYS  99          3HD       LYS  99  -4.847 -12.429  -1.568
  816   1HE   LYS  99          2HE       LYS  99  -3.562 -14.407  -0.908
  817   2HE   LYS  99          3HE       LYS  99  -3.334 -14.072  -2.631
  818   1HZ   LYS  99          1HZ       LYS  99  -1.345 -13.511  -0.489
  819   2HZ   LYS  99          2HZ       LYS  99  -1.184 -14.473  -1.860
  820   3HZ   LYS  99          3HZ       LYS  99  -1.221 -12.951  -2.040
  821    H    LYS 100           H        LYS 100  -5.124  -8.963  -5.177
  822    HA   LYS 100           HA       LYS 100  -4.184 -11.003  -7.036
  823   1HB   LYS 100          2HB       LYS 100  -6.639 -10.002  -6.514
  824   2HB   LYS 100          3HB       LYS 100  -6.301  -9.065  -7.954
  825   1HG   LYS 100          2HG       LYS 100  -5.881 -12.082  -7.994
  826   2HG   LYS 100          3HG       LYS 100  -7.502 -11.463  -7.884
  827   1HD   LYS 100          2HD       LYS 100  -7.230 -11.927 -10.121
  828   2HD   LYS 100          3HD       LYS 100  -7.203 -10.177  -9.996
  829   1HE   LYS 100          2HE       LYS 100  -5.613 -11.121 -11.672
  830   2HE   LYS 100          3HE       LYS 100  -4.841 -10.111 -10.464
  831   1HZ   LYS 100          1HZ       LYS 100  -4.774 -13.100 -10.447
  832   2HZ   LYS 100          2HZ       LYS 100  -3.480 -12.100 -10.647
  833   3HZ   LYS 100          3HZ       LYS 100  -4.159 -12.166  -9.276
  834    H    ALA 101           H        ALA 101  -3.707  -7.627  -6.767
  835    HA   ALA 101           HA       ALA 101  -2.826  -7.149  -9.490
  836   1HB   ALA 101          1HB       ALA 101  -2.375  -5.456  -7.005
  837   2HB   ALA 101          2HB       ALA 101  -2.304  -4.947  -8.711
  838   3HB   ALA 101          3HB       ALA 101  -3.851  -5.417  -8.003
  839    H    THR 102           H        THR 102  -1.231  -8.504  -6.696
  840    HA   THR 102           HA       THR 102   1.343  -8.451  -8.209
  841    HB   THR 102           HB       THR 102   1.654  -7.581  -6.021
  842    HG1  THR 102           1HG      THR 102   2.740 -10.116  -6.552
  843   1HG2  THR 102          1HG2      THR 102   0.695 -10.258  -4.946
  844   2HG2  THR 102          2HG2      THR 102   1.613  -9.054  -4.031
  845   3HG2  THR 102          3HG2      THR 102  -0.003  -8.657  -4.642
  846    H    GLU 103           H        GLU 103  -1.140 -10.576  -6.920
  847    HA   GLU 103           HA       GLU 103   0.068 -12.995  -8.196
  848   1HB   GLU 103          2HB       GLU 103  -1.682 -12.614  -5.735
  849   2HB   GLU 103          3HB       GLU 103  -1.310 -14.186  -6.433
  850   1HG   GLU 103          2HG       GLU 103   0.960 -14.093  -5.818
  851   2HG   GLU 103          3HG       GLU 103   0.939 -12.348  -5.584
  852    HHA  HEC 104           HHA      HEC 104   5.370   3.651   1.063
  853    HHB  HEC 104           HHB      HEC 104  -0.265   0.624   0.030
  854    HHC  HEC 104           HHC      HEC 104  -3.011   6.325  -1.435
  855    HHD  HEC 104           HHD      HEC 104   2.745   9.140  -1.111
  856   1HMA  HEC 104          1HMA      HEC 104   1.770  -0.780   1.818
  857   2HMA  HEC 104          2HMA      HEC 104   1.462  -0.880   0.063
  858   3HMA  HEC 104          3HMA      HEC 104   3.093  -1.123   0.679
  859   1HAA  HEC 104          1HAA      HEC 104   4.588  -0.002   1.956
  860   2HAA  HEC 104          2HAA      HEC 104   5.266   1.587   2.274
  861   1HBA  HEC 104          1HBA      HEC 104   6.330   1.600   0.068
  862   2HBA  HEC 104          2HBA      HEC 104   5.519   0.101  -0.376
  863   1HMB  HEC 104          1HMB      HEC 104  -3.264   0.664   0.029
  864   2HMB  HEC 104          2HMB      HEC 104  -3.721   1.092  -1.630
  865   3HMB  HEC 104          3HMB      HEC 104  -2.162   0.322  -1.322
  866    HAB  HEC 104           HAB      HEC 104  -4.450   4.997  -0.965
  867   1HBB  HEC 104          1HBB      HEC 104  -4.552   3.741   1.135
  868   2HBB  HEC 104          2HBB      HEC 104  -6.089   3.852   0.260
  869   3HBB  HEC 104          3HBB      HEC 104  -5.167   2.335   0.232
  870   1HMC  HEC 104          1HMC      HEC 104  -3.209   8.897  -1.143
  871   2HMC  HEC 104          2HMC      HEC 104  -2.423   9.953  -2.316
  872   3HMC  HEC 104          3HMC      HEC 104  -2.954   8.342  -2.809
  873    HAC  HEC 104           HAC      HEC 104   1.470  10.321  -2.230
  874   1HBC  HEC 104          1HBC      HEC 104   0.348  11.329  -0.326
  875   2HBC  HEC 104          2HBC      HEC 104   0.304  12.371  -1.762
  876   3HBC  HEC 104          3HBC      HEC 104  -1.148  11.480  -1.268
  877   1HMD  HEC 104          1HMD      HEC 104   5.273   9.434   0.212
  878   2HMD  HEC 104          2HMD      HEC 104   6.448   8.502  -0.744
  879   3HMD  HEC 104          3HMD      HEC 104   4.967   9.117  -1.489
  880   1HAD  HEC 104          1HAD      HEC 104   6.352   5.550   2.045
  881   2HAD  HEC 104          2HAD      HEC 104   6.424   7.287   1.810
  882   1HBD  HEC 104          1HBD      HEC 104   7.666   6.612  -0.460
  883   2HBD  HEC 104          2HBD      HEC 104   7.985   5.121   0.426
  Start of MODEL   24
    1   1H    THR  -5          H1        THR  -5  -7.674 -15.540  11.696
    2   2H    THR  -5          H2        THR  -5  -7.545 -17.155  11.333
    3   3H    THR  -5          H3        THR  -5  -8.954 -16.488  11.889
    4    HA   THR  -5           HA       THR  -5  -7.731 -15.698   9.329
    5    HB   THR  -5           HB       THR  -5  -9.654 -17.057   8.324
    6    HG1  THR  -5           1HG      THR  -5 -10.829 -17.500  10.118
    7   1HG2  THR  -5          1HG2      THR  -5  -7.493 -18.636   9.792
    8   2HG2  THR  -5          2HG2      THR  -5  -8.434 -19.159   8.388
    9   3HG2  THR  -5          3HG2      THR  -5  -7.291 -17.816   8.218
   10    H    GLU  -4           H        GLU  -4  -8.259 -13.553  10.391
   11    HA   GLU  -4           HA       GLU  -4 -11.111 -12.936  10.632
   12   1HB   GLU  -4          2HB       GLU  -4  -8.554 -11.507  11.455
   13   2HB   GLU  -4          3HB       GLU  -4 -10.180 -10.919  11.780
   14   1HG   GLU  -4          2HG       GLU  -4  -9.279 -11.976  13.769
   15   2HG   GLU  -4          3HG       GLU  -4 -10.689 -12.854  13.170
   16    H    PHE  -3           H        PHE  -3  -8.675 -12.319   8.260
   17    HA   PHE  -3           HA       PHE  -3  -9.591  -9.839   7.196
   18   1HB   PHE  -3          2HB       PHE  -3  -7.474 -10.617   6.534
   19   2HB   PHE  -3          3HB       PHE  -3  -8.091 -12.203   6.086
   20    HD1  PHE  -3           HD1      PHE  -3  -9.255  -8.722   5.088
   21    HD2  PHE  -3           HD2      PHE  -3  -7.600 -12.508   3.857
   22    HE1  PHE  -3           HE1      PHE  -3  -9.535  -8.078   2.720
   23    HE2  PHE  -3           HE2      PHE  -3  -7.832 -11.840   1.482
   24    HZ   PHE  -3           HZ       PHE  -3  -8.828  -9.628   0.905
   25    H    LYS  -2           H        LYS  -2 -11.813  -9.816   7.268
   26    HA   LYS  -2           HA       LYS  -2 -13.393 -11.683   5.713
   27   1HB   LYS  -2          2HB       LYS  -2 -14.128 -10.261   7.735
   28   2HB   LYS  -2          3HB       LYS  -2 -14.474  -8.987   6.569
   29   1HG   LYS  -2          2HG       LYS  -2 -15.672 -11.789   6.757
   30   2HG   LYS  -2          3HG       LYS  -2 -16.511 -10.249   6.966
   31   1HD   LYS  -2          2HD       LYS  -2 -16.158  -9.746   4.546
   32   2HD   LYS  -2          3HD       LYS  -2 -15.322 -11.304   4.369
   33   1HE   LYS  -2          2HE       LYS  -2 -17.388 -12.479   5.073
   34   2HE   LYS  -2          3HE       LYS  -2 -18.245 -10.926   4.965
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.664 -12.170   2.766
   36   2HZ   LYS  -2          2HZ       LYS  -2 -18.316 -12.167   2.833
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.438 -10.769   2.647
   38    H    ALA  -1           H        ALA  -1 -12.119 -11.616   3.901
   39    HA   ALA  -1           HA       ALA  -1 -11.756  -9.662   1.994
   40   1HB   ALA  -1          1HB       ALA  -1 -12.413 -12.585   1.442
   41   2HB   ALA  -1          2HB       ALA  -1 -11.481 -11.491   0.397
   42   3HB   ALA  -1          3HB       ALA  -1 -10.830 -11.974   1.975
   43    H    GLY   1           H        GLY   1 -12.600  -9.320  -0.078
   44   1HA   GLY   1          1HA       GLY   1 -15.592  -9.277  -0.330
   45   2HA   GLY   1          2HA       GLY   1 -14.600  -7.848  -0.596
   46    H    SER   2           H        SER   2 -14.418  -7.412  -2.759
   47    HA   SER   2           HA       SER   2 -14.097  -9.687  -4.689
   48   1HB   SER   2          2HB       SER   2 -16.496  -8.975  -4.481
   49   2HB   SER   2          3HB       SER   2 -16.011  -7.399  -5.138
   50    HG   SER   2           HG       SER   2 -15.955  -9.957  -6.319
   51    H    ALA   3           H        ALA   3 -12.299  -9.424  -5.779
   52    HA   ALA   3           HA       ALA   3 -10.626  -7.288  -5.634
   53   1HB   ALA   3          1HB       ALA   3 -10.740  -9.361  -7.855
   54   2HB   ALA   3          2HB       ALA   3  -9.332  -8.366  -7.437
   55   3HB   ALA   3          3HB       ALA   3  -9.949  -9.549  -6.270
   56    H    LYS   4           H        LYS   4 -13.090  -7.566  -8.230
   57    HA   LYS   4           HA       LYS   4 -11.926  -5.316  -9.658
   58   1HB   LYS   4          2HB       LYS   4 -13.683  -5.353 -11.177
   59   2HB   LYS   4          3HB       LYS   4 -13.347  -7.036 -10.797
   60   1HG   LYS   4          2HG       LYS   4 -15.357  -7.141  -9.359
   61   2HG   LYS   4          3HG       LYS   4 -15.647  -5.404  -9.605
   62   1HD   LYS   4          2HD       LYS   4 -15.864  -5.794 -12.058
   63   2HD   LYS   4          3HD       LYS   4 -15.686  -7.537 -11.782
   64   1HE   LYS   4          2HE       LYS   4 -17.724  -7.543 -10.388
   65   2HE   LYS   4          3HE       LYS   4 -17.873  -5.789 -10.560
   66   1HZ   LYS   4          1HZ       LYS   4 -18.026  -7.712 -12.819
   67   2HZ   LYS   4          2HZ       LYS   4 -19.316  -6.966 -12.134
   68   3HZ   LYS   4          3HZ       LYS   4 -18.192  -6.082 -12.937
   69    H    LYS   5           H        LYS   5 -13.885  -5.410  -7.015
   70    HA   LYS   5           HA       LYS   5 -14.934  -2.618  -7.245
   71   1HB   LYS   5          2HB       LYS   5 -16.258  -4.515  -6.151
   72   2HB   LYS   5          3HB       LYS   5 -15.100  -4.424  -4.818
   73   1HG   LYS   5          2HG       LYS   5 -15.720  -1.948  -4.582
   74   2HG   LYS   5          3HG       LYS   5 -16.913  -2.180  -5.866
   75   1HD   LYS   5          2HD       LYS   5 -18.043  -2.249  -3.718
   76   2HD   LYS   5          3HD       LYS   5 -18.076  -3.885  -4.418
   77   1HE   LYS   5          2HE       LYS   5 -16.023  -4.432  -3.110
   78   2HE   LYS   5          3HE       LYS   5 -16.053  -2.840  -2.366
   79   1HZ   LYS   5          1HZ       LYS   5 -18.116  -4.943  -2.052
   80   2HZ   LYS   5          2HZ       LYS   5 -16.906  -4.569  -1.005
   81   3HZ   LYS   5          3HZ       LYS   5 -18.098  -3.469  -1.261
   82    H    GLY   6           H        GLY   6 -12.568  -4.430  -5.257
   83   1HA   GLY   6          1HA       GLY   6 -11.337  -2.179  -3.975
   84   2HA   GLY   6          2HA       GLY   6 -10.527  -3.678  -4.377
   85    H    ALA   7           H        ALA   7 -10.655  -3.624  -7.226
   86    HA   ALA   7           HA       ALA   7  -8.637  -1.881  -8.035
   87   1HB   ALA   7          1HB       ALA   7 -10.830  -2.943  -9.866
   88   2HB   ALA   7          2HB       ALA   7  -9.163  -2.524 -10.288
   89   3HB   ALA   7          3HB       ALA   7  -9.490  -3.932  -9.263
   90    H    THR   8           H        THR   8 -12.188  -1.363  -8.540
   91    HA   THR   8           HA       THR   8 -11.923   1.254  -9.678
   92    HB   THR   8           HB       THR   8 -14.311   1.597  -8.850
   93    HG1  THR   8           1HG      THR   8 -13.951  -0.319  -7.241
   94   1HG2  THR   8          1HG2      THR   8 -13.729  -0.883 -10.515
   95   2HG2  THR   8          2HG2      THR   8 -15.241   0.046 -10.493
   96   3HG2  THR   8          3HG2      THR   8 -13.761   0.793 -11.123
   97    H    LEU   9           H        LEU   9 -11.993   0.280  -6.301
   98    HA   LEU   9           HA       LEU   9 -12.313   2.919  -5.157
   99   1HB   LEU   9          2HB       LEU   9 -11.315   0.266  -4.081
  100   2HB   LEU   9          3HB       LEU   9 -11.228   1.724  -3.109
  101    HG   LEU   9           HG       LEU   9 -13.818   0.875  -4.402
  102   1HD1  LEU   9          1HD1      LEU   9 -12.725   0.008  -1.670
  103   2HD1  LEU   9          2HD1      LEU   9 -14.394  -0.245  -2.226
  104   3HD1  LEU   9          3HD1      LEU   9 -13.062  -1.052  -3.056
  105   1HD2  LEU   9          1HD2      LEU   9 -13.730   3.158  -3.450
  106   2HD2  LEU   9          2HD2      LEU   9 -14.826   2.126  -2.523
  107   3HD2  LEU   9          3HD2      LEU   9 -13.208   2.487  -1.883
  108    H    PHE  10           H        PHE  10  -9.529   0.757  -5.466
  109    HA   PHE  10           HA       PHE  10  -7.361   2.401  -4.838
  110   1HB   PHE  10          2HB       PHE  10  -7.092   0.051  -5.247
  111   2HB   PHE  10          3HB       PHE  10  -7.656   0.197  -6.901
  112    HD1  PHE  10           HD1      PHE  10  -6.190   0.874  -8.703
  113    HD2  PHE  10           HD2      PHE  10  -4.790   0.802  -4.630
  114    HE1  PHE  10           HE1      PHE  10  -3.853   1.191  -9.490
  115    HE2  PHE  10           HE2      PHE  10  -2.467   1.209  -5.433
  116    HZ   PHE  10           HZ       PHE  10  -1.998   1.452  -7.832
  117    H    LYS  11           H        LYS  11  -8.966   2.142  -7.993
  118    HA   LYS  11           HA       LYS  11  -7.345   3.978  -9.447
  119   1HB   LYS  11          2HB       LYS  11  -8.889   2.226 -10.314
  120   2HB   LYS  11          3HB       LYS  11 -10.265   3.276  -9.960
  121   1HG   LYS  11          2HG       LYS  11  -9.648   4.816 -11.664
  122   2HG   LYS  11          3HG       LYS  11  -7.972   4.255 -11.676
  123   1HD   LYS  11          2HD       LYS  11  -8.763   2.041 -12.585
  124   2HD   LYS  11          3HD       LYS  11 -10.374   2.764 -12.789
  125   1HE   LYS  11          2HE       LYS  11  -9.412   4.502 -14.264
  126   2HE   LYS  11          3HE       LYS  11  -7.780   3.899 -13.947
  127   1HZ   LYS  11          1HZ       LYS  11  -9.910   2.377 -15.335
  128   2HZ   LYS  11          2HZ       LYS  11  -8.595   3.063 -16.054
  129   3HZ   LYS  11          3HZ       LYS  11  -8.400   1.809 -15.021
  130    H    THR  12           H        THR  12  -9.755   4.731  -7.105
  131    HA   THR  12           HA       THR  12  -9.237   7.629  -7.514
  132    HB   THR  12           HB       THR  12 -11.394   7.118  -8.506
  133    HG1  THR  12           1HG      THR  12 -12.344   8.856  -7.635
  134   1HG2  THR  12          1HG2      THR  12 -12.409   6.531  -5.702
  135   2HG2  THR  12          2HG2      THR  12 -13.365   6.662  -7.188
  136   3HG2  THR  12          3HG2      THR  12 -12.219   5.328  -6.991
  137    H    ARG  13           H        ARG  13  -7.913   5.823  -5.889
  138    HA   ARG  13           HA       ARG  13  -8.028   7.411  -3.358
  139   1HB   ARG  13          2HB       ARG  13  -7.806   4.367  -3.493
  140   2HB   ARG  13          3HB       ARG  13  -7.417   5.307  -2.058
  141   1HG   ARG  13          2HG       ARG  13 -10.164   5.231  -3.365
  142   2HG   ARG  13          3HG       ARG  13  -9.644   4.203  -2.046
  143   1HD   ARG  13          2HD       ARG  13  -9.249   6.255  -0.653
  144   2HD   ARG  13          3HD       ARG  13  -9.852   7.247  -1.981
  145    HE   ARG  13           HE       ARG  13 -11.439   5.490  -0.213
  146   1HH1  ARG  13          1HH2      ARG  13 -11.491   7.190  -3.322
  147   2HH1  ARG  13          2HH2      ARG  13 -13.211   7.118  -3.405
  148   1HH2  ARG  13          1HH1      ARG  13 -13.656   5.350  -0.469
  149   2HH2  ARG  13          2HH1      ARG  13 -14.377   6.089  -1.871
  150    H    CYS  14           H        CYS  14  -6.104   4.817  -4.881
  151    HA   CYS  14           HA       CYS  14  -3.660   5.927  -3.627
  152   1HB   CYS  14          2HB       CYS  14  -3.947   3.283  -4.972
  153   2HB   CYS  14          3HB       CYS  14  -2.894   3.689  -3.638
  154    H    LEU  15           H        LEU  15  -5.053   4.983  -6.773
  155    HA   LEU  15           HA       LEU  15  -2.749   4.743  -8.254
  156   1HB   LEU  15          2HB       LEU  15  -5.001   4.078  -8.957
  157   2HB   LEU  15          3HB       LEU  15  -5.459   5.774  -9.146
  158    HG   LEU  15           HG       LEU  15  -3.741   6.022 -10.932
  159   1HD1  LEU  15          1HD1      LEU  15  -3.382   3.008 -10.686
  160   2HD1  LEU  15          2HD1      LEU  15  -2.728   4.034 -11.972
  161   3HD1  LEU  15          3HD1      LEU  15  -2.146   4.238 -10.324
  162   1HD2  LEU  15          1HD2      LEU  15  -6.061   5.488 -11.489
  163   2HD2  LEU  15          2HD2      LEU  15  -4.931   4.767 -12.651
  164   3HD2  LEU  15          3HD2      LEU  15  -5.681   3.740 -11.410
  165    H    GLN  16           H        GLN  16  -4.187   7.769  -7.205
  166    HA   GLN  16           HA       GLN  16  -2.815   9.579  -8.883
  167   1HB   GLN  16          2HB       GLN  16  -3.125  11.229  -7.190
  168   2HB   GLN  16          3HB       GLN  16  -4.581  10.251  -7.371
  169   1HG   GLN  16          2HG       GLN  16  -3.930   8.962  -5.316
  170   2HG   GLN  16          3HG       GLN  16  -2.546  10.045  -5.117
  171   1HE2  GLN  16          2HE2      GLN  16  -5.184   9.564  -3.512
  172   2HE2  GLN  16          1HE2      GLN  16  -5.661  11.254  -3.255
  173    H    CYS  17           H        CYS  17  -1.486   7.689  -6.137
  174    HA   CYS  17           HA       CYS  17   1.094   9.173  -6.382
  175   1HB   CYS  17          2HB       CYS  17  -0.204   7.640  -4.131
  176   2HB   CYS  17          3HB       CYS  17   1.466   8.176  -4.088
  177    H    HIS  18           H        HIS  18  -0.225   6.076  -7.048
  178    HA   HIS  18           HA       HIS  18   2.434   4.687  -6.930
  179   1HB   HIS  18          1HB       HIS  18  -0.338   3.899  -5.929
  180   2HB   HIS  18          2HB       HIS  18   0.880   2.698  -6.248
  181    HD1  HIS  18           HD1      HIS  18   3.431   3.593  -4.949
  182    HD2  HIS  18           HD2      HIS  18  -0.391   4.324  -3.353
  183    HE1  HIS  18           HE1      HIS  18   3.742   3.902  -2.442
  184    H    THR  19           H        THR  19   2.339   2.517  -7.987
  185    HA   THR  19           HA       THR  19   0.461   2.105 -10.224
  186    HB   THR  19           HB       THR  19   2.279   1.358 -11.673
  187    HG1  THR  19           1HG      THR  19   4.233   2.914 -10.646
  188   1HG2  THR  19          1HG2      THR  19   2.556   4.300 -10.943
  189   2HG2  THR  19          2HG2      THR  19   2.969   3.536 -12.486
  190   3HG2  THR  19          3HG2      THR  19   1.278   3.610 -11.967
  191    H    VAL  20           H        VAL  20   0.412  -0.234 -10.840
  192    HA   VAL  20           HA       VAL  20   1.761  -2.107  -8.930
  193    HB   VAL  20           HB       VAL  20  -0.980  -2.840  -9.922
  194   1HG1  VAL  20          1HG1      VAL  20   0.499  -3.409  -7.310
  195   2HG1  VAL  20          2HG1      VAL  20  -1.057  -4.095  -7.801
  196   3HG1  VAL  20          3HG1      VAL  20   0.396  -4.514  -8.694
  197   1HG2  VAL  20          1HG2      VAL  20  -1.519  -0.702  -8.960
  198   2HG2  VAL  20          2HG2      VAL  20  -2.059  -1.977  -7.873
  199   3HG2  VAL  20          3HG2      VAL  20  -0.581  -1.063  -7.494
  200    H    GLU  21           H        GLU  21   1.089  -1.284 -12.161
  201    HA   GLU  21           HA       GLU  21   1.106  -3.938 -13.297
  202   1HB   GLU  21          2HB       GLU  21   1.791  -1.412 -14.760
  203   2HB   GLU  21          3HB       GLU  21   1.016  -2.853 -15.392
  204   1HG   GLU  21          2HG       GLU  21  -1.051  -2.399 -14.155
  205   2HG   GLU  21          3HG       GLU  21  -0.343  -0.976 -13.379
  206    H    LYS  22           H        LYS  22   2.792  -4.730 -14.725
  207    HA   LYS  22           HA       LYS  22   5.120  -4.849 -13.125
  208   1HB   LYS  22          2HB       LYS  22   3.911  -6.663 -14.428
  209   2HB   LYS  22          3HB       LYS  22   4.790  -6.121 -15.871
  210   1HG   LYS  22          2HG       LYS  22   6.911  -6.671 -14.851
  211   2HG   LYS  22          3HG       LYS  22   6.169  -6.885 -13.255
  212   1HD   LYS  22          2HD       LYS  22   4.821  -8.799 -14.229
  213   2HD   LYS  22          3HD       LYS  22   5.737  -8.600 -15.720
  214   1HE   LYS  22          2HE       LYS  22   6.676  -9.414 -12.928
  215   2HE   LYS  22          3HE       LYS  22   6.745 -10.403 -14.390
  216   1HZ   LYS  22          1HZ       LYS  22   8.335  -7.947 -13.893
  217   2HZ   LYS  22          2HZ       LYS  22   8.921  -9.480 -13.796
  218   3HZ   LYS  22          3HZ       LYS  22   8.440  -8.862 -15.249
  219    H    GLY  23           H        GLY  23   4.613  -2.641 -15.515
  220   1HA   GLY  23          1HA       GLY  23   7.516  -1.888 -15.551
  221   2HA   GLY  23          2HA       GLY  23   6.501  -1.681 -16.980
  222    H    GLY  24           H        GLY  24   4.746  -1.074 -14.067
  223   1HA   GLY  24          1HA       GLY  24   4.109   1.569 -14.835
  224   2HA   GLY  24          2HA       GLY  24   3.791   0.842 -13.259
  225    HA   PRO  25           HA       PRO  25   7.734   3.655 -13.212
  226   1HB   PRO  25          2HB       PRO  25   6.856   6.278 -13.162
  227   2HB   PRO  25          3HB       PRO  25   7.357   5.404 -14.641
  228   1HG   PRO  25          2HG       PRO  25   4.547   5.787 -13.567
  229   2HG   PRO  25          3HG       PRO  25   5.139   6.050 -15.241
  230   1HD   PRO  25          2HD       PRO  25   3.889   3.754 -14.550
  231   2HD   PRO  25          3HD       PRO  25   5.308   3.710 -15.638
  232    H    HIS  26           H        HIS  26   8.505   4.341 -11.296
  233    HA   HIS  26           HA       HIS  26   6.920   4.475  -8.824
  234   1HB   HIS  26          2HB       HIS  26   9.780   5.235  -9.580
  235   2HB   HIS  26          3HB       HIS  26   9.067   5.537  -8.001
  236    HD1  HIS  26           HD1      HIS  26   9.278   2.229 -10.113
  237    HD2  HIS  26           HD2      HIS  26   9.924   3.895  -6.298
  238    HE1  HIS  26           HE1      HIS  26  10.232   0.365  -8.603
  239    H    LYS  27           H        LYS  27   6.242   6.366  -7.871
  240    HA   LYS  27           HA       LYS  27   6.172   8.803  -9.624
  241   1HB   LYS  27          2HB       LYS  27   4.353   7.091 -10.019
  242   2HB   LYS  27          3HB       LYS  27   3.777   7.375  -8.392
  243   1HG   LYS  27          2HG       LYS  27   3.385   9.808  -9.061
  244   2HG   LYS  27          3HG       LYS  27   3.902   9.367 -10.705
  245   1HD   LYS  27          2HD       LYS  27   2.097   7.577 -10.708
  246   2HD   LYS  27          3HD       LYS  27   1.555   8.202  -9.138
  247   1HE   LYS  27          2HE       LYS  27   1.271  10.468 -10.256
  248   2HE   LYS  27          3HE       LYS  27   1.581   9.670 -11.811
  249   1HZ   LYS  27          1HZ       LYS  27  -0.592   9.099  -9.887
  250   2HZ   LYS  27          2HZ       LYS  27  -0.790   9.760 -11.377
  251   3HZ   LYS  27          3HZ       LYS  27  -0.345   8.170 -11.210
  252    H    VAL  28           H        VAL  28   4.020   8.702  -6.956
  253    HA   VAL  28           HA       VAL  28   5.668  10.683  -5.451
  254    HB   VAL  28           HB       VAL  28   2.899   9.641  -4.802
  255   1HG1  VAL  28          1HG1      VAL  28   4.423  12.073  -3.786
  256   2HG1  VAL  28          2HG1      VAL  28   2.736  11.677  -3.399
  257   3HG1  VAL  28          3HG1      VAL  28   4.032  10.616  -2.845
  258   1HG2  VAL  28          1HG2      VAL  28   2.785  10.842  -6.946
  259   2HG2  VAL  28          2HG2      VAL  28   2.061  11.815  -5.670
  260   3HG2  VAL  28          3HG2      VAL  28   3.695  12.199  -6.246
  261    H    GLY  29           H        GLY  29   4.278   7.437  -5.164
  262   1HA   GLY  29          1HA       GLY  29   6.506   6.702  -3.335
  263   2HA   GLY  29          2HA       GLY  29   4.900   5.977  -3.148
  264    HA   PRO  30           HA       PRO  30   7.593   3.723  -6.216
  265   1HB   PRO  30          2HB       PRO  30   7.770   1.219  -5.064
  266   2HB   PRO  30          3HB       PRO  30   8.768   2.606  -4.553
  267   1HG   PRO  30          2HG       PRO  30   6.181   1.638  -3.309
  268   2HG   PRO  30          3HG       PRO  30   7.747   2.005  -2.499
  269   1HD   PRO  30          2HD       PRO  30   5.747   3.841  -2.593
  270   2HD   PRO  30          3HD       PRO  30   7.441   4.327  -2.769
  271    H    ASN  31           H        ASN  31   7.294   1.439  -7.228
  272    HA   ASN  31           HA       ASN  31   4.541   0.988  -8.188
  273   1HB   ASN  31          2HB       ASN  31   6.655   0.703  -9.562
  274   2HB   ASN  31          3HB       ASN  31   7.094  -0.657  -8.517
  275   1HD2  ASN  31          2HD2      ASN  31   5.939  -0.070 -11.535
  276   2HD2  ASN  31          1HD2      ASN  31   4.901  -1.505 -11.643
  277    H    LEU  32           H        LEU  32   3.342  -0.902  -7.588
  278    HA   LEU  32           HA       LEU  32   3.959  -2.077  -4.919
  279   1HB   LEU  32          2HB       LEU  32   1.291  -1.451  -6.204
  280   2HB   LEU  32          3HB       LEU  32   1.498  -2.228  -4.644
  281    HG   LEU  32           HG       LEU  32   2.361   0.622  -5.301
  282   1HD1  LEU  32          1HD1      LEU  32   0.040  -0.443  -3.649
  283   2HD1  LEU  32          2HD1      LEU  32   0.479   1.264  -3.839
  284   3HD1  LEU  32          3HD1      LEU  32  -0.083   0.335  -5.246
  285   1HD2  LEU  32          1HD2      LEU  32   3.762  -0.323  -3.512
  286   2HD2  LEU  32          2HD2      LEU  32   2.635   0.865  -2.847
  287   3HD2  LEU  32          3HD2      LEU  32   2.310  -0.871  -2.642
  288    H    HIS  33           H        HIS  33   4.238  -3.067  -7.979
  289    HA   HIS  33           HA       HIS  33   2.943  -5.654  -8.050
  290   1HB   HIS  33          2HB       HIS  33   4.000  -4.214  -9.941
  291   2HB   HIS  33          3HB       HIS  33   5.540  -4.862  -9.428
  292    HD1  HIS  33           HD1      HIS  33   2.104  -6.042 -10.679
  293    HD2  HIS  33           HD2      HIS  33   6.113  -7.251 -10.366
  294    HE1  HIS  33           HE1      HIS  33   2.322  -8.202 -12.090
  295    H    GLY  34           H        GLY  34   3.207  -6.787  -6.289
  296   1HA   GLY  34          1HA       GLY  34   4.169  -8.739  -5.370
  297   2HA   GLY  34          2HA       GLY  34   5.732  -8.293  -6.042
  298    H    ILE  35           H        ILE  35   4.039  -5.890  -3.984
  299    HA   ILE  35           HA       ILE  35   6.222  -5.855  -2.155
  300    HB   ILE  35           HB       ILE  35   5.024  -4.376  -0.786
  301   1HG1  ILE  35          2HG1      ILE  35   2.841  -5.390  -0.562
  302   2HG1  ILE  35          3HG1      ILE  35   2.753  -3.698  -0.981
  303   1HG2  ILE  35          1HG2      ILE  35   4.423  -3.789  -3.690
  304   2HG2  ILE  35          2HG2      ILE  35   4.444  -2.594  -2.370
  305   3HG2  ILE  35          3HG2      ILE  35   5.926  -3.447  -2.824
  306   1HD1  ILE  35          1HD1      ILE  35   2.238  -5.945  -2.949
  307   2HD1  ILE  35          2HD1      ILE  35   1.013  -4.995  -2.106
  308   3HD1  ILE  35          3HD1      ILE  35   2.082  -4.188  -3.245
  309    H    PHE  36           H        PHE  36   3.322  -7.843  -2.108
  310    HA   PHE  36           HA       PHE  36   3.296  -8.473   0.655
  311   1HB   PHE  36          2HB       PHE  36   2.276 -10.013  -1.742
  312   2HB   PHE  36          3HB       PHE  36   2.071 -10.553  -0.077
  313    HD1  PHE  36           HD1      PHE  36   0.746  -8.359  -2.634
  314    HD2  PHE  36           HD2      PHE  36   0.944  -8.995   1.621
  315    HE1  PHE  36           HE1      PHE  36  -1.176  -6.831  -2.320
  316    HE2  PHE  36           HE2      PHE  36  -0.987  -7.467   1.941
  317    HZ   PHE  36           HZ       PHE  36  -2.040  -6.370  -0.010
  318    H    GLY  37           H        GLY  37   4.695  -9.327   1.832
  319   1HA   GLY  37          1HA       GLY  37   6.149 -11.057   2.617
  320   2HA   GLY  37          2HA       GLY  37   6.555 -11.490   0.960
  321    H    ARG  38           H        ARG  38   6.784  -8.213   0.817
  322    HA   ARG  38           HA       ARG  38   9.701  -8.230   1.368
  323   1HB   ARG  38          2HB       ARG  38   7.851  -6.109   0.187
  324   2HB   ARG  38          3HB       ARG  38   9.548  -5.823   0.493
  325   1HG   ARG  38          2HG       ARG  38   8.267  -7.619  -1.560
  326   2HG   ARG  38          3HG       ARG  38   9.402  -6.273  -1.783
  327   1HD   ARG  38          2HD       ARG  38  10.916  -7.904  -0.213
  328   2HD   ARG  38          3HD       ARG  38   9.852  -9.096  -0.968
  329    HE   ARG  38           HE       ARG  38  11.594  -7.084  -2.389
  330   1HH1  ARG  38          1HH2      ARG  38  10.656 -10.410  -2.262
  331   2HH1  ARG  38          2HH2      ARG  38  12.041 -10.935  -3.193
  332   1HH2  ARG  38          1HH1      ARG  38  13.291  -7.681  -3.308
  333   2HH2  ARG  38          2HH1      ARG  38  13.591  -9.325  -3.846
  334    H    HIS  39           H        HIS  39  10.739  -6.676   2.590
  335    HA   HIS  39           HA       HIS  39   9.237  -5.848   5.009
  336   1HB   HIS  39          2HB       HIS  39  12.208  -6.007   4.461
  337   2HB   HIS  39          3HB       HIS  39  11.494  -5.252   5.891
  338    HD1  HIS  39           HD1      HIS  39  11.375  -8.773   4.208
  339    HD2  HIS  39           HD2      HIS  39  10.883  -6.825   7.902
  340    HE1  HIS  39           HE1      HIS  39  11.080 -10.600   5.959
  341    H    SER  40           H        SER  40   8.697  -3.751   5.243
  342    HA   SER  40           HA       SER  40   8.530  -1.928   3.286
  343   1HB   SER  40          2HB       SER  40   8.099  -0.206   4.937
  344   2HB   SER  40          3HB       SER  40   7.353  -1.739   5.382
  345    HG   SER  40           HG       SER  40   9.475  -0.373   6.603
  346    H    GLY  41           H        GLY  41   9.535  -0.389   2.339
  347   1HA   GLY  41          1HA       GLY  41  11.292   1.158   1.894
  348   2HA   GLY  41          2HA       GLY  41  12.315   0.365   3.066
  349    H    GLN  42           H        GLN  42  10.918  -1.832   0.781
  350    HA   GLN  42           HA       GLN  42  13.452  -2.802   0.236
  351   1HB   GLN  42          2HB       GLN  42  10.823  -3.687   0.126
  352   2HB   GLN  42          3HB       GLN  42  11.416  -3.911  -1.524
  353   1HG   GLN  42          2HG       GLN  42  13.035  -4.717   0.957
  354   2HG   GLN  42          3HG       GLN  42  11.869  -5.731   0.218
  355   1HE2  GLN  42          2HE2      GLN  42  15.078  -4.574  -0.037
  356   2HE2  GLN  42          1HE2      GLN  42  15.416  -5.387  -1.546
  357    H    ALA  43           H        ALA  43  11.688  -0.583  -1.888
  358    HA   ALA  43           HA       ALA  43  12.948  -1.512  -4.318
  359   1HB   ALA  43          1HB       ALA  43  11.523   1.125  -3.799
  360   2HB   ALA  43          2HB       ALA  43  11.911   0.413  -5.370
  361   3HB   ALA  43          3HB       ALA  43  10.754  -0.398  -4.295
  362    H    GLU  44           H        GLU  44  15.126  -1.602  -3.585
  363    HA   GLU  44           HA       GLU  44  16.888   0.114  -2.644
  364   1HB   GLU  44          2HB       GLU  44  17.069  -2.299  -3.426
  365   2HB   GLU  44          3HB       GLU  44  17.561  -1.678  -5.001
  366   1HG   GLU  44          2HG       GLU  44  19.551  -0.638  -3.985
  367   2HG   GLU  44          3HG       GLU  44  19.003  -1.110  -2.373
  368    H    GLY  45           H        GLY  45  15.589   0.696  -5.767
  369   1HA   GLY  45          1HA       GLY  45  17.691   2.715  -6.480
  370   2HA   GLY  45          2HA       GLY  45  16.531   2.025  -7.602
  371    H    TYR  46           H        TYR  46  14.829   2.854  -4.768
  372    HA   TYR  46           HA       TYR  46  14.357   5.680  -5.572
  373   1HB   TYR  46          2HB       TYR  46  12.704   4.303  -6.755
  374   2HB   TYR  46          3HB       TYR  46  12.128   3.635  -5.249
  375    HD1  TYR  46           HD1      TYR  46  11.761   6.268  -7.645
  376    HD2  TYR  46           HD2      TYR  46  11.305   5.471  -3.424
  377    HE1  TYR  46           HE1      TYR  46  10.141   8.152  -7.458
  378    HE2  TYR  46           HE2      TYR  46   9.696   7.314  -3.247
  379    HH   TYR  46           HH       TYR  46   8.455   9.085  -6.063
  380    H    SER  47           H        SER  47  14.578   6.938  -3.878
  381    HA   SER  47           HA       SER  47  14.986   5.885  -1.254
  382   1HB   SER  47          2HB       SER  47  14.713   8.765  -2.177
  383   2HB   SER  47          3HB       SER  47  15.280   8.232  -0.580
  384    HG   SER  47           HG       SER  47  17.083   8.487  -1.842
  385    H    TYR  48           H        TYR  48  13.592   5.364   0.175
  386    HA   TYR  48           HA       TYR  48  10.882   6.443   0.375
  387   1HB   TYR  48          2HB       TYR  48  12.479   4.444   2.045
  388   2HB   TYR  48          3HB       TYR  48  10.815   4.852   2.376
  389    HD1  TYR  48           HD1      TYR  48   9.092   3.614   1.573
  390    HD2  TYR  48           HD2      TYR  48  12.916   3.377  -0.427
  391    HE1  TYR  48           HE1      TYR  48   8.316   1.672   0.288
  392    HE2  TYR  48           HE2      TYR  48  12.139   1.450  -1.683
  393    HH   TYR  48           HH       TYR  48   9.076  -0.229  -0.815
  394    H    THR  49           H        THR  49  10.656   6.464   3.172
  395    HA   THR  49           HA       THR  49  12.422   8.634   4.259
  396    HB   THR  49           HB       THR  49  10.877   8.702   6.184
  397    HG1  THR  49           1HG      THR  49   9.230   7.023   4.638
  398   1HG2  THR  49          1HG2      THR  49   9.356   8.955   3.542
  399   2HG2  THR  49          2HG2      THR  49   8.965   9.740   5.091
  400   3HG2  THR  49          3HG2      THR  49  10.442  10.181   4.224
  401    H    ASP  50           H        ASP  50  13.653   8.235   6.317
  402    HA   ASP  50           HA       ASP  50  14.636   5.651   6.739
  403   1HB   ASP  50          2HB       ASP  50  15.792   6.789   8.428
  404   2HB   ASP  50          3HB       ASP  50  15.657   7.960   7.146
  405    H    ALA  51           H        ALA  51  11.943   7.483   8.162
  406    HA   ALA  51           HA       ALA  51  11.210   5.843  10.322
  407   1HB   ALA  51          1HB       ALA  51   9.415   7.354   8.361
  408   2HB   ALA  51          2HB       ALA  51   8.949   6.786   9.980
  409   3HB   ALA  51          3HB       ALA  51  10.198   8.028   9.808
  410    H    ASN  52           H        ASN  52  10.178   5.469   6.897
  411    HA   ASN  52           HA       ASN  52   8.591   3.104   7.242
  412   1HB   ASN  52          2HB       ASN  52   8.400   4.478   5.267
  413   2HB   ASN  52          3HB       ASN  52  10.117   4.283   4.890
  414   1HD2  ASN  52          2HD2      ASN  52   7.189   3.248   3.722
  415   2HD2  ASN  52          1HD2      ASN  52   7.777   1.643   3.213
  416    H    ILE  53           H        ILE  53  12.003   3.515   6.563
  417    HA   ILE  53           HA       ILE  53  12.646   0.740   6.234
  418    HB   ILE  53           HB       ILE  53  14.298   3.193   6.815
  419   1HG1  ILE  53          2HG1      ILE  53  14.001   1.682   4.166
  420   2HG1  ILE  53          3HG1      ILE  53  12.975   3.041   4.595
  421   1HG2  ILE  53          1HG2      ILE  53  15.294   0.440   5.950
  422   2HG2  ILE  53          2HG2      ILE  53  16.304   1.896   5.985
  423   3HG2  ILE  53          3HG2      ILE  53  15.656   1.254   7.486
  424   1HD1  ILE  53          1HD1      ILE  53  15.979   3.168   4.164
  425   2HD1  ILE  53          2HD1      ILE  53  14.700   3.838   3.144
  426   3HD1  ILE  53          3HD1      ILE  53  14.977   4.516   4.757
  427    H    LYS  54           H        LYS  54  13.492   2.918   9.013
  428    HA   LYS  54           HA       LYS  54  14.436   0.972  10.798
  429   1HB   LYS  54          2HB       LYS  54  12.758   3.475  11.258
  430   2HB   LYS  54          3HB       LYS  54  13.576   2.589  12.550
  431   1HG   LYS  54          2HG       LYS  54  15.751   3.063  11.627
  432   2HG   LYS  54          3HG       LYS  54  15.082   3.796  10.185
  433   1HD   LYS  54          2HD       LYS  54  13.972   5.548  11.500
  434   2HD   LYS  54          3HD       LYS  54  14.600   4.847  13.008
  435   1HE   LYS  54          2HE       LYS  54  16.885   5.351  12.374
  436   2HE   LYS  54          3HE       LYS  54  16.372   5.806  10.734
  437   1HZ   LYS  54          1HZ       LYS  54  15.483   7.281  13.145
  438   2HZ   LYS  54          2HZ       LYS  54  16.704   7.774  12.130
  439   3HZ   LYS  54          3HZ       LYS  54  15.191   7.651  11.569
  440    H    LYS  55           H        LYS  55  11.274   1.194   9.606
  441    HA   LYS  55           HA       LYS  55  10.117  -0.171  12.012
  442   1HB   LYS  55          2HB       LYS  55   9.068   1.871  10.788
  443   2HB   LYS  55          3HB       LYS  55   8.416   0.691   9.666
  444   1HG   LYS  55          2HG       LYS  55   8.063   0.271  12.658
  445   2HG   LYS  55          3HG       LYS  55   7.173   1.579  11.917
  446   1HD   LYS  55          2HD       LYS  55   5.672   0.245  10.911
  447   2HD   LYS  55          3HD       LYS  55   6.879  -0.919  10.384
  448   1HE   LYS  55          2HE       LYS  55   5.700  -0.716  13.201
  449   2HE   LYS  55          3HE       LYS  55   5.156  -1.825  11.944
  450   1HZ   LYS  55          1HZ       LYS  55   7.786  -1.839  13.291
  451   2HZ   LYS  55          2HZ       LYS  55   6.701  -3.080  13.172
  452   3HZ   LYS  55          3HZ       LYS  55   7.593  -2.571  11.869
  453    H    ASN  56           H        ASN  56  11.373  -1.054   9.050
  454    HA   ASN  56           HA       ASN  56  10.802  -2.716   7.493
  455   1HB   ASN  56          2HB       ASN  56  12.322  -3.814   9.868
  456   2HB   ASN  56          3HB       ASN  56  12.089  -4.759   8.406
  457   1HD2  ASN  56          2HD2      ASN  56  12.432  -2.565   6.358
  458   2HD2  ASN  56          1HD2      ASN  56  14.135  -2.255   6.617
  459    H    VAL  57           H        VAL  57   8.486  -2.605   7.690
  460    HA   VAL  57           HA       VAL  57   7.172  -4.884   9.057
  461    HB   VAL  57           HB       VAL  57   6.332  -2.312   7.918
  462   1HG1  VAL  57          1HG1      VAL  57   4.511  -4.672   7.335
  463   2HG1  VAL  57          2HG1      VAL  57   3.959  -2.996   7.507
  464   3HG1  VAL  57          3HG1      VAL  57   5.096  -3.433   6.233
  465   1HG2  VAL  57          1HG2      VAL  57   6.348  -3.188  10.288
  466   2HG2  VAL  57          2HG2      VAL  57   4.844  -2.429   9.753
  467   3HG2  VAL  57          3HG2      VAL  57   4.964  -4.200   9.864
  468    H    LEU  58           H        LEU  58   7.170  -6.752   8.274
  469    HA   LEU  58           HA       LEU  58   7.607  -7.484   5.507
  470   1HB   LEU  58          2HB       LEU  58   8.174  -8.824   7.547
  471   2HB   LEU  58          3HB       LEU  58   6.470  -9.179   7.776
  472    HG   LEU  58           HG       LEU  58   8.003  -9.842   5.217
  473   1HD1  LEU  58          1HD1      LEU  58   7.398 -11.688   7.559
  474   2HD1  LEU  58          2HD1      LEU  58   8.282 -12.093   6.069
  475   3HD1  LEU  58          3HD1      LEU  58   8.982 -10.962   7.241
  476   1HD2  LEU  58          1HD2      LEU  58   5.595  -9.959   4.821
  477   2HD2  LEU  58          2HD2      LEU  58   6.196 -11.603   4.981
  478   3HD2  LEU  58          3HD2      LEU  58   5.340 -10.841   6.339
  479    H    TRP  59           H        TRP  59   6.099  -6.565   4.153
  480    HA   TRP  59           HA       TRP  59   3.429  -5.993   4.703
  481   1HB   TRP  59          2HB       TRP  59   4.826  -6.487   2.084
  482   2HB   TRP  59          3HB       TRP  59   3.195  -5.829   2.196
  483    HD1  TRP  59           HD1      TRP  59   6.511  -4.646   1.651
  484    HE1  TRP  59           HE1      TRP  59   6.830  -2.154   2.375
  485    HE3  TRP  59           HE3      TRP  59   2.281  -3.996   4.469
  486    HZ2  TRP  59           HZ2      TRP  59   5.644  -0.330   4.085
  487    HZ3  TRP  59           HZ3      TRP  59   1.881  -1.881   5.643
  488    HH2  TRP  59           HH2      TRP  59   3.567  -0.011   5.518
  489    H    ASP  60           H        ASP  60   1.804  -7.150   5.104
  490    HA   ASP  60           HA       ASP  60   1.192  -9.781   3.886
  491   1HB   ASP  60          2HB       ASP  60   2.204 -10.586   5.799
  492   2HB   ASP  60          3HB       ASP  60   1.916  -9.108   6.705
  493    H    GLU  61           H        GLU  61  -1.097 -10.374   4.832
  494    HA   GLU  61           HA       GLU  61  -2.925  -8.390   3.716
  495   1HB   GLU  61          2HB       GLU  61  -4.752  -9.867   4.607
  496   2HB   GLU  61          3HB       GLU  61  -3.692 -10.566   3.403
  497   1HG   GLU  61          2HG       GLU  61  -2.843 -12.160   4.810
  498   2HG   GLU  61          3HG       GLU  61  -2.937 -11.138   6.232
  499    H    ASN  62           H        ASN  62  -2.553  -9.551   7.100
  500    HA   ASN  62           HA       ASN  62  -4.318  -7.403   8.038
  501   1HB   ASN  62          2HB       ASN  62  -3.097  -9.851   9.188
  502   2HB   ASN  62          3HB       ASN  62  -3.160  -8.477  10.298
  503   1HD2  ASN  62          2HD2      ASN  62  -5.309 -10.718   8.352
  504   2HD2  ASN  62          1HD2      ASN  62  -6.694 -10.064   9.225
  505    H    ASN  63           H        ASN  63  -0.822  -7.969   8.025
  506    HA   ASN  63           HA       ASN  63  -0.050  -5.699   9.586
  507   1HB   ASN  63          2HB       ASN  63   1.302  -7.746   8.876
  508   2HB   ASN  63          3HB       ASN  63   1.482  -6.984   7.287
  509   1HD2  ASN  63          2HD2      ASN  63   3.824  -7.460   8.101
  510   2HD2  ASN  63          1HD2      ASN  63   4.532  -6.124   9.020
  511    H    MET  64           H        MET  64  -0.632  -5.929   6.048
  512    HA   MET  64           HA       MET  64  -0.056  -3.092   5.590
  513   1HB   MET  64          2HB       MET  64   0.071  -4.898   3.824
  514   2HB   MET  64          3HB       MET  64  -1.690  -4.975   3.876
  515   1HG   MET  64          2HG       MET  64  -1.779  -2.554   3.289
  516   2HG   MET  64          3HG       MET  64  -0.020  -2.532   3.174
  517   1HE   MET  64          1HE       MET  64   0.597  -5.351   1.746
  518   2HE   MET  64          2HE       MET  64   0.617  -4.828   0.062
  519   3HE   MET  64          3HE       MET  64   1.367  -3.810   1.315
  520    H    SER  65           H        SER  65  -2.971  -5.042   6.424
  521    HA   SER  65           HA       SER  65  -4.864  -3.021   6.000
  522   1HB   SER  65          2HB       SER  65  -6.400  -4.240   7.145
  523   2HB   SER  65          3HB       SER  65  -5.244  -5.493   6.694
  524    HG   SER  65           HG       SER  65  -4.363  -5.265   8.854
  525    H    GLU  66           H        GLU  66  -2.828  -3.445   8.902
  526    HA   GLU  66           HA       GLU  66  -3.810  -1.269  10.444
  527   1HB   GLU  66          2HB       GLU  66  -2.294  -3.089  11.215
  528   2HB   GLU  66          3HB       GLU  66  -0.995  -2.415  10.241
  529   1HG   GLU  66          2HG       GLU  66  -0.691  -1.777  12.538
  530   2HG   GLU  66          3HG       GLU  66  -1.061  -0.330  11.595
  531    H    TYR  67           H        TYR  67  -0.986  -1.286   8.232
  532    HA   TYR  67           HA       TYR  67  -0.483   1.499   8.249
  533   1HB   TYR  67          2HB       TYR  67   0.999  -0.304   7.268
  534   2HB   TYR  67          3HB       TYR  67  -0.092  -0.395   5.910
  535    HD1  TYR  67           HD1      TYR  67   0.936   0.487   3.980
  536    HD2  TYR  67           HD2      TYR  67   1.482   2.460   7.752
  537    HE1  TYR  67           HE1      TYR  67   2.333   2.201   2.879
  538    HE2  TYR  67           HE2      TYR  67   2.830   4.250   6.639
  539    HH   TYR  67           HH       TYR  67   3.721   3.980   3.195
  540    H    LEU  68           H        LEU  68  -2.884  -0.291   6.303
  541    HA   LEU  68           HA       LEU  68  -3.661   2.125   4.815
  542   1HB   LEU  68          2HB       LEU  68  -4.925  -0.625   5.097
  543   2HB   LEU  68          3HB       LEU  68  -5.526   0.638   4.021
  544    HG   LEU  68           HG       LEU  68  -2.751  -0.616   3.818
  545   1HD1  LEU  68          1HD1      LEU  68  -5.276  -1.084   2.175
  546   2HD1  LEU  68          2HD1      LEU  68  -3.670  -1.752   1.829
  547   3HD1  LEU  68          3HD1      LEU  68  -4.523  -2.244   3.299
  548   1HD2  LEU  68          1HD2      LEU  68  -2.767   1.636   2.900
  549   2HD2  LEU  68          2HD2      LEU  68  -2.649   0.431   1.629
  550   3HD2  LEU  68          3HD2      LEU  68  -4.207   1.246   1.924
  551    H    THR  69           H        THR  69  -4.465   0.835   7.900
  552    HA   THR  69           HA       THR  69  -7.002   2.220   8.299
  553    HB   THR  69           HB       THR  69  -5.186   1.156  10.416
  554    HG1  THR  69           1HG      THR  69  -5.716  -0.516   9.082
  555   1HG2  THR  69          1HG2      THR  69  -8.168   1.771  10.372
  556   2HG2  THR  69          2HG2      THR  69  -7.296   0.967  11.702
  557   3HG2  THR  69          3HG2      THR  69  -6.915   2.639  11.287
  558    H    ASN  70           H        ASN  70  -3.694   2.743   9.642
  559    HA   ASN  70           HA       ASN  70  -4.101   5.659   9.327
  560   1HB   ASN  70          2HB       ASN  70  -4.908   4.973  11.617
  561   2HB   ASN  70          3HB       ASN  70  -3.229   4.593  12.022
  562   1HD2  ASN  70          2HD2      ASN  70  -5.298   6.822  12.834
  563   2HD2  ASN  70          1HD2      ASN  70  -4.341   8.289  12.571
  564    HA   PRO  71           HA       PRO  71  -0.010   4.080   7.908
  565   1HB   PRO  71          2HB       PRO  71   0.414   6.035   5.948
  566   2HB   PRO  71          3HB       PRO  71  -0.440   4.500   5.676
  567   1HG   PRO  71          2HG       PRO  71  -1.603   7.226   6.264
  568   2HG   PRO  71          3HG       PRO  71  -2.179   6.007   5.090
  569   1HD   PRO  71          2HD       PRO  71  -3.351   6.356   7.508
  570   2HD   PRO  71          3HD       PRO  71  -3.212   4.731   6.788
  571    H    LYS  72           H        LYS  72  -1.021   7.277   8.647
  572    HA   LYS  72           HA       LYS  72   1.528   8.579   8.971
  573   1HB   LYS  72          2HB       LYS  72  -0.847   9.458   8.358
  574   2HB   LYS  72          3HB       LYS  72  -1.134   9.525  10.097
  575   1HG   LYS  72          2HG       LYS  72   0.660  11.127  10.402
  576   2HG   LYS  72          3HG       LYS  72   1.252  10.887   8.753
  577   1HD   LYS  72          2HD       LYS  72  -1.499  12.017   9.424
  578   2HD   LYS  72          3HD       LYS  72  -0.064  13.009   9.103
  579   1HE   LYS  72          2HE       LYS  72   0.165  12.041   6.852
  580   2HE   LYS  72          3HE       LYS  72  -1.202  10.967   7.133
  581   1HZ   LYS  72          1HZ       LYS  72  -1.360  13.915   7.007
  582   2HZ   LYS  72          2HZ       LYS  72  -1.913  12.854   5.874
  583   3HZ   LYS  72          3HZ       LYS  72  -2.629  12.923   7.349
  584    H    LYS  73           H        LYS  73  -0.398   6.710  11.161
  585    HA   LYS  73           HA       LYS  73   1.410   7.487  13.429
  586   1HB   LYS  73          2HB       LYS  73  -1.289   7.231  13.507
  587   2HB   LYS  73          3HB       LYS  73  -0.859   5.567  13.870
  588   1HG   LYS  73          2HG       LYS  73  -0.142   8.107  15.396
  589   2HG   LYS  73          3HG       LYS  73  -1.189   6.788  15.916
  590   1HD   LYS  73          2HD       LYS  73   0.933   5.293  15.872
  591   2HD   LYS  73          3HD       LYS  73   1.838   6.803  15.669
  592   1HE   LYS  73          2HE       LYS  73   1.938   6.380  17.957
  593   2HE   LYS  73          3HE       LYS  73   0.738   7.664  17.780
  594   1HZ   LYS  73          1HZ       LYS  73   0.145   4.769  18.106
  595   2HZ   LYS  73          2HZ       LYS  73  -0.036   5.905  19.277
  596   3HZ   LYS  73          3HZ       LYS  73  -0.995   5.935  17.941
  597    H    TYR  74           H        TYR  74   0.409   4.612  11.505
  598    HA   TYR  74           HA       TYR  74   2.006   2.756  12.962
  599   1HB   TYR  74          2HB       TYR  74   0.145   2.330  11.277
  600   2HB   TYR  74          3HB       TYR  74   1.305   2.645  10.013
  601    HD1  TYR  74           HD1      TYR  74   2.074   0.656   8.996
  602    HD2  TYR  74           HD2      TYR  74   1.249   0.630  13.230
  603    HE1  TYR  74           HE1      TYR  74   2.685  -1.747   9.105
  604    HE2  TYR  74           HE2      TYR  74   1.995  -1.738  13.348
  605    HH   TYR  74           HH       TYR  74   2.587  -3.695  10.544
  606    H    ILE  75           H        ILE  75   2.787   4.780  10.210
  607    HA   ILE  75           HA       ILE  75   5.715   4.330  10.731
  608    HB   ILE  75           HB       ILE  75   4.470   5.176   8.127
  609   1HG1  ILE  75          2HG1      ILE  75   3.963   2.813   8.515
  610   2HG1  ILE  75          3HG1      ILE  75   5.050   3.069   7.163
  611   1HG2  ILE  75          1HG2      ILE  75   7.353   4.540   8.937
  612   2HG2  ILE  75          2HG2      ILE  75   6.812   4.804   7.260
  613   3HG2  ILE  75          3HG2      ILE  75   6.728   6.115   8.434
  614   1HD1  ILE  75          1HD1      ILE  75   5.999   2.227   9.914
  615   2HD1  ILE  75          2HD1      ILE  75   5.619   1.099   8.591
  616   3HD1  ILE  75          3HD1      ILE  75   6.947   2.255   8.417
  617    HA   PRO  76           HA       PRO  76   4.553   8.601  12.067
  618   1HB   PRO  76          2HB       PRO  76   6.346   8.866  14.117
  619   2HB   PRO  76          3HB       PRO  76   4.785   7.995  14.268
  620   1HG   PRO  76          2HG       PRO  76   7.531   6.819  13.758
  621   2HG   PRO  76          3HG       PRO  76   6.291   6.276  14.934
  622   1HD   PRO  76          2HD       PRO  76   6.623   5.115  12.486
  623   2HD   PRO  76          3HD       PRO  76   5.012   5.256  13.243
  624    H    GLY  77           H        GLY  77   5.201   9.761  10.401
  625   1HA   GLY  77          1HA       GLY  77   6.943  11.428   9.653
  626   2HA   GLY  77          2HA       GLY  77   8.114  10.121   9.755
  627    H    THR  78           H        THR  78   5.420   8.615   8.479
  628    HA   THR  78           HA       THR  78   6.643   8.275   5.984
  629    HB   THR  78           HB       THR  78   5.090   6.680   6.815
  630    HG1  THR  78           1HG      THR  78   4.061   6.262   4.864
  631   1HG2  THR  78          1HG2      THR  78   2.798   8.547   6.067
  632   2HG2  THR  78          2HG2      THR  78   2.681   6.878   6.634
  633   3HG2  THR  78          3HG2      THR  78   3.292   8.132   7.724
  634    H    LYS  79           H        LYS  79   6.826   9.271   4.220
  635    HA   LYS  79           HA       LYS  79   5.588  11.682   3.304
  636   1HB   LYS  79          2HB       LYS  79   7.774  10.899   2.640
  637   2HB   LYS  79          3HB       LYS  79   7.110   9.419   1.989
  638   1HG   LYS  79          2HG       LYS  79   6.001  10.781   0.177
  639   2HG   LYS  79          3HG       LYS  79   6.795  12.226   0.819
  640   1HD   LYS  79          2HD       LYS  79   8.970  11.418   0.243
  641   2HD   LYS  79          3HD       LYS  79   8.424   9.754   0.202
  642   1HE   LYS  79          2HE       LYS  79   6.908  10.581  -1.802
  643   2HE   LYS  79          3HE       LYS  79   8.110  11.873  -1.926
  644   1HZ   LYS  79          1HZ       LYS  79   8.661   8.959  -1.925
  645   2HZ   LYS  79          2HZ       LYS  79   8.611   9.819  -3.290
  646   3HZ   LYS  79          3HZ       LYS  79   9.810  10.051  -2.136
  647    H    MET  80           H        MET  80   4.244   8.480   3.418
  648    HA   MET  80           HA       MET  80   2.140   8.866   1.474
  649   1HB   MET  80          2HB       MET  80   2.900   6.630   2.283
  650   2HB   MET  80          3HB       MET  80   2.292   7.011   3.891
  651   1HG   MET  80          2HG       MET  80   0.115   6.863   3.315
  652   2HG   MET  80          3HG       MET  80   0.379   7.298   1.631
  653   1HE   MET  80          1HE       MET  80  -1.710   5.328   1.686
  654   2HE   MET  80          2HE       MET  80  -1.365   3.622   2.054
  655   3HE   MET  80          3HE       MET  80  -1.318   4.833   3.349
  656    H    ALA  81           H        ALA  81   1.878  11.147   2.167
  657    HA   ALA  81           HA       ALA  81   0.630  11.878   4.555
  658   1HB   ALA  81          1HB       ALA  81   0.415  13.202   1.815
  659   2HB   ALA  81          2HB       ALA  81   0.110  14.004   3.369
  660   3HB   ALA  81          3HB       ALA  81   1.747  13.438   2.973
  661    H    PHE  82           H        PHE  82  -0.708  10.030   2.456
  662    HA   PHE  82           HA       PHE  82  -3.336  10.612   1.744
  663   1HB   PHE  82          2HB       PHE  82  -2.118   8.731   0.877
  664   2HB   PHE  82          3HB       PHE  82  -1.993   7.993   2.464
  665    HD1  PHE  82           HD1      PHE  82  -4.632   9.110   0.000
  666    HD2  PHE  82           HD2      PHE  82  -3.481   6.283   3.050
  667    HE1  PHE  82           HE1      PHE  82  -6.705   7.823  -0.402
  668    HE2  PHE  82           HE2      PHE  82  -5.546   5.001   2.644
  669    HZ   PHE  82           HZ       PHE  82  -7.177   5.770   0.931
  670    H    GLY  83           H        GLY  83  -2.353   9.533   4.933
  671   1HA   GLY  83          1HA       GLY  83  -3.496   9.957   6.957
  672   2HA   GLY  83          2HA       GLY  83  -4.874  10.544   6.023
  673    H    GLY  84           H        GLY  84  -5.418   8.119   4.569
  674   1HA   GLY  84          1HA       GLY  84  -5.246   5.652   5.150
  675   2HA   GLY  84          2HA       GLY  84  -5.927   6.060   6.714
  676    H    LEU  85           H        LEU  85  -6.876   4.130   4.920
  677    HA   LEU  85           HA       LEU  85  -9.537   5.026   3.937
  678   1HB   LEU  85          2HB       LEU  85  -8.006   2.415   3.958
  679   2HB   LEU  85          3HB       LEU  85  -9.729   2.466   3.549
  680    HG   LEU  85           HG       LEU  85  -7.515   3.794   1.995
  681   1HD1  LEU  85          1HD1      LEU  85  -9.285   1.349   1.484
  682   2HD1  LEU  85          2HD1      LEU  85  -8.182   2.061   0.299
  683   3HD1  LEU  85          3HD1      LEU  85  -7.534   1.348   1.785
  684   1HD2  LEU  85          1HD2      LEU  85  -9.583   5.096   1.740
  685   2HD2  LEU  85          2HD2      LEU  85  -9.326   4.105   0.295
  686   3HD2  LEU  85          3HD2      LEU  85 -10.527   3.594   1.498
  687    H    LYS  86           H        LYS  86  -9.785   5.768   6.294
  688    HA   LYS  86           HA       LYS  86 -10.153   4.217   8.501
  689   1HB   LYS  86          2HB       LYS  86 -11.740   5.875   9.344
  690   2HB   LYS  86          3HB       LYS  86 -10.368   6.586   8.507
  691   1HG   LYS  86          2HG       LYS  86 -12.190   6.479   6.433
  692   2HG   LYS  86          3HG       LYS  86 -13.279   6.648   7.814
  693   1HD   LYS  86          2HD       LYS  86 -11.987   8.679   8.531
  694   2HD   LYS  86          3HD       LYS  86 -10.921   8.466   7.125
  695   1HE   LYS  86          2HE       LYS  86 -12.960   8.627   5.637
  696   2HE   LYS  86          3HE       LYS  86 -13.922   9.010   7.075
  697   1HZ   LYS  86          1HZ       LYS  86 -11.652  10.610   6.023
  698   2HZ   LYS  86          2HZ       LYS  86 -13.238  11.027   5.948
  699   3HZ   LYS  86          3HZ       LYS  86 -12.470  10.957   7.401
  700    H    LYS  87           H        LYS  87 -12.464   3.983   5.867
  701    HA   LYS  87           HA       LYS  87 -14.493   2.451   7.357
  702   1HB   LYS  87          2HB       LYS  87 -14.012   2.993   4.401
  703   2HB   LYS  87          3HB       LYS  87 -15.279   1.916   4.991
  704   1HG   LYS  87          2HG       LYS  87 -16.352   3.768   6.214
  705   2HG   LYS  87          3HG       LYS  87 -15.041   4.861   5.740
  706   1HD   LYS  87          2HD       LYS  87 -16.896   5.299   4.270
  707   2HD   LYS  87          3HD       LYS  87 -15.629   4.495   3.344
  708   1HE   LYS  87          2HE       LYS  87 -17.059   2.316   4.114
  709   2HE   LYS  87          3HE       LYS  87 -18.365   3.510   4.147
  710   1HZ   LYS  87          1HZ       LYS  87 -16.535   2.917   1.894
  711   2HZ   LYS  87          2HZ       LYS  87 -18.030   2.340   1.986
  712   3HZ   LYS  87          3HZ       LYS  87 -17.801   3.980   1.785
  713    H    GLU  88           H        GLU  88 -14.129   0.435   8.015
  714    HA   GLU  88           HA       GLU  88 -12.026  -1.309   7.405
  715   1HB   GLU  88          2HB       GLU  88 -13.591  -1.502   9.308
  716   2HB   GLU  88          3HB       GLU  88 -14.874  -1.961   8.199
  717   1HG   GLU  88          2HG       GLU  88 -12.777  -3.824   7.692
  718   2HG   GLU  88          3HG       GLU  88 -12.769  -3.598   9.435
  719    H    LYS  89           H        LYS  89 -15.314  -1.740   6.029
  720    HA   LYS  89           HA       LYS  89 -14.873  -3.864   4.333
  721   1HB   LYS  89          2HB       LYS  89 -16.598  -1.514   3.527
  722   2HB   LYS  89          3HB       LYS  89 -16.856  -3.221   3.203
  723   1HG   LYS  89          2HG       LYS  89 -17.099  -1.843   5.914
  724   2HG   LYS  89          3HG       LYS  89 -18.405  -2.286   4.852
  725   1HD   LYS  89          2HD       LYS  89 -18.115  -4.633   5.259
  726   2HD   LYS  89          3HD       LYS  89 -16.448  -4.410   5.810
  727   1HE   LYS  89          2HE       LYS  89 -17.384  -3.034   7.740
  728   2HE   LYS  89          3HE       LYS  89 -18.979  -3.696   7.338
  729   1HZ   LYS  89          1HZ       LYS  89 -16.551  -5.334   7.835
  730   2HZ   LYS  89          2HZ       LYS  89 -17.418  -4.856   9.031
  731   3HZ   LYS  89          3HZ       LYS  89 -18.123  -5.886   7.900
  732    H    ASP  90           H        ASP  90 -14.594  -0.457   3.372
  733    HA   ASP  90           HA       ASP  90 -13.669  -0.694   0.813
  734   1HB   ASP  90          2HB       ASP  90 -12.819   1.341   2.919
  735   2HB   ASP  90          3HB       ASP  90 -12.699   1.504   1.187
  736    H    ARG  91           H        ARG  91 -11.674  -0.854   3.824
  737    HA   ARG  91           HA       ARG  91  -9.154  -1.254   2.400
  738   1HB   ARG  91          2HB       ARG  91  -9.864  -2.060   5.267
  739   2HB   ARG  91          3HB       ARG  91  -8.257  -2.085   4.530
  740   1HG   ARG  91          2HG       ARG  91  -8.617   0.358   3.977
  741   2HG   ARG  91          3HG       ARG  91  -9.986   0.329   5.096
  742   1HD   ARG  91          2HD       ARG  91  -7.060  -0.230   5.698
  743   2HD   ARG  91          3HD       ARG  91  -7.939   1.216   6.157
  744    HE   ARG  91           HE       ARG  91  -7.662  -1.109   7.682
  745   1HH1  ARG  91          1HH2      ARG  91 -10.276   1.091   6.932
  746   2HH1  ARG  91          2HH2      ARG  91 -10.944   0.973   8.535
  747   1HH2  ARG  91          1HH1      ARG  91  -8.389  -0.966   9.664
  748   2HH2  ARG  91          2HH1      ARG  91 -10.027  -0.469  10.000
  749    H    ASN  92           H        ASN  92 -11.617  -3.477   3.646
  750    HA   ASN  92           HA       ASN  92  -9.942  -5.811   3.217
  751   1HB   ASN  92          2HB       ASN  92 -12.968  -5.640   3.460
  752   2HB   ASN  92          3HB       ASN  92 -12.006  -7.126   3.473
  753   1HD2  ASN  92          2HD2      ASN  92 -13.381  -7.218   5.472
  754   2HD2  ASN  92          1HD2      ASN  92 -12.868  -6.282   6.889
  755    H    ASP  93           H        ASP  93 -12.538  -4.340   1.211
  756    HA   ASP  93           HA       ASP  93 -12.131  -6.030  -1.093
  757   1HB   ASP  93          2HB       ASP  93 -13.318  -3.287  -0.624
  758   2HB   ASP  93          3HB       ASP  93 -13.096  -3.920  -2.253
  759    H    LEU  94           H        LEU  94 -10.428  -3.030  -0.025
  760    HA   LEU  94           HA       LEU  94  -8.776  -2.748  -2.330
  761   1HB   LEU  94          2HB       LEU  94  -9.034  -1.365   0.071
  762   2HB   LEU  94          3HB       LEU  94  -7.470  -2.087   0.264
  763    HG   LEU  94           HG       LEU  94  -7.240   0.107  -0.579
  764   1HD1  LEU  94          1HD1      LEU  94  -6.689  -1.749  -2.911
  765   2HD1  LEU  94          2HD1      LEU  94  -5.975  -0.149  -2.625
  766   3HD1  LEU  94          3HD1      LEU  94  -5.641  -1.483  -1.503
  767   1HD2  LEU  94          1HD2      LEU  94  -9.505   0.345  -1.560
  768   2HD2  LEU  94          2HD2      LEU  94  -8.212   0.979  -2.597
  769   3HD2  LEU  94          3HD2      LEU  94  -8.969  -0.582  -2.977
  770    H    ILE  95           H        ILE  95  -8.080  -4.455   0.725
  771    HA   ILE  95           HA       ILE  95  -5.574  -5.617  -0.013
  772    HB   ILE  95           HB       ILE  95  -7.728  -6.581   1.903
  773   1HG1  ILE  95          2HG1      ILE  95  -5.009  -5.392   2.609
  774   2HG1  ILE  95          3HG1      ILE  95  -6.379  -4.348   2.276
  775   1HG2  ILE  95          1HG2      ILE  95  -4.865  -7.615   1.584
  776   2HG2  ILE  95          2HG2      ILE  95  -5.961  -8.048   2.908
  777   3HG2  ILE  95          3HG2      ILE  95  -6.352  -8.538   1.269
  778   1HD1  ILE  95          1HD1      ILE  95  -6.236  -6.417   4.496
  779   2HD1  ILE  95          2HD1      ILE  95  -6.252  -4.649   4.637
  780   3HD1  ILE  95          3HD1      ILE  95  -7.697  -5.495   4.068
  781    H    THR  96           H        THR  96  -8.873  -6.955  -0.287
  782    HA   THR  96           HA       THR  96  -8.279  -9.351  -1.653
  783    HB   THR  96           HB       THR  96 -10.697  -7.599  -2.283
  784    HG1  THR  96           1HG      THR  96 -10.575  -8.005  -0.073
  785   1HG2  THR  96          1HG2      THR  96 -10.273 -10.619  -2.429
  786   2HG2  THR  96          2HG2      THR  96 -11.801  -9.773  -2.717
  787   3HG2  THR  96          3HG2      THR  96 -10.447  -9.524  -3.821
  788    H    TYR  97           H        TYR  97  -8.739  -6.107  -3.132
  789    HA   TYR  97           HA       TYR  97  -8.219  -6.956  -5.843
  790   1HB   TYR  97          2HB       TYR  97  -9.288  -4.895  -5.615
  791   2HB   TYR  97          3HB       TYR  97  -8.144  -4.288  -4.428
  792    HD1  TYR  97           HD1      TYR  97  -8.092  -5.613  -7.962
  793    HD2  TYR  97           HD2      TYR  97  -6.543  -2.724  -5.156
  794    HE1  TYR  97           HE1      TYR  97  -6.643  -4.671  -9.738
  795    HE2  TYR  97           HE2      TYR  97  -5.056  -1.812  -6.940
  796    HH   TYR  97           HH       TYR  97  -4.735  -3.381 -10.074
  797    H    LEU  98           H        LEU  98  -6.041  -5.284  -3.524
  798    HA   LEU  98           HA       LEU  98  -3.940  -5.233  -5.430
  799   1HB   LEU  98          2HB       LEU  98  -4.423  -4.186  -2.852
  800   2HB   LEU  98          3HB       LEU  98  -2.953  -5.099  -2.654
  801    HG   LEU  98           HG       LEU  98  -3.334  -3.107  -4.943
  802   1HD1  LEU  98          1HD1      LEU  98  -2.087  -2.601  -2.214
  803   2HD1  LEU  98          2HD1      LEU  98  -2.108  -1.475  -3.597
  804   3HD1  LEU  98          3HD1      LEU  98  -3.623  -1.933  -2.813
  805   1HD2  LEU  98          1HD2      LEU  98  -1.469  -4.706  -5.241
  806   2HD2  LEU  98          2HD2      LEU  98  -0.859  -3.074  -4.955
  807   3HD2  LEU  98          3HD2      LEU  98  -0.834  -4.282  -3.645
  808    H    LYS  99           H        LYS  99  -4.676  -7.528  -2.953
  809    HA   LYS  99           HA       LYS  99  -2.481  -9.366  -3.240
  810   1HB   LYS  99          2HB       LYS  99  -4.206  -9.494  -1.503
  811   2HB   LYS  99          3HB       LYS  99  -5.435  -9.925  -2.684
  812   1HG   LYS  99          2HG       LYS  99  -2.939 -11.632  -2.377
  813   2HG   LYS  99          3HG       LYS  99  -4.233 -11.727  -1.179
  814   1HD   LYS  99          2HD       LYS  99  -5.875 -12.272  -2.970
  815   2HD   LYS  99          3HD       LYS  99  -4.548 -12.279  -4.152
  816   1HE   LYS  99          2HE       LYS  99  -3.389 -14.025  -2.851
  817   2HE   LYS  99          3HE       LYS  99  -4.722 -14.069  -1.678
  818   1HZ   LYS  99          1HZ       LYS  99  -4.987 -14.577  -4.583
  819   2HZ   LYS  99          2HZ       LYS  99  -4.690 -15.750  -3.593
  820   3HZ   LYS  99          3HZ       LYS  99  -6.153 -14.928  -3.448
  821    H    LYS 100           H        LYS 100  -5.528  -9.244  -5.062
  822    HA   LYS 100           HA       LYS 100  -4.797 -11.294  -6.988
  823   1HB   LYS 100          2HB       LYS 100  -7.087 -10.541  -6.061
  824   2HB   LYS 100          3HB       LYS 100  -7.029  -9.229  -7.205
  825   1HG   LYS 100          2HG       LYS 100  -8.433 -11.132  -7.927
  826   2HG   LYS 100          3HG       LYS 100  -7.191 -10.735  -9.096
  827   1HD   LYS 100          2HD       LYS 100  -6.594 -12.891  -7.067
  828   2HD   LYS 100          3HD       LYS 100  -7.748 -13.266  -8.361
  829   1HE   LYS 100          2HE       LYS 100  -6.145 -12.925 -10.092
  830   2HE   LYS 100          3HE       LYS 100  -5.086 -12.015  -9.027
  831   1HZ   LYS 100          1HZ       LYS 100  -4.665 -14.018  -7.756
  832   2HZ   LYS 100          2HZ       LYS 100  -5.409 -14.956  -8.924
  833   3HZ   LYS 100          3HZ       LYS 100  -4.061 -14.023  -9.195
  834    H    ALA 101           H        ALA 101  -3.961  -8.171  -6.799
  835    HA   ALA 101           HA       ALA 101  -3.193  -7.879  -9.676
  836   1HB   ALA 101          1HB       ALA 101  -2.954  -5.859  -7.415
  837   2HB   ALA 101          2HB       ALA 101  -2.725  -5.555  -9.150
  838   3HB   ALA 101          3HB       ALA 101  -4.336  -5.987  -8.529
  839    H    THR 102           H        THR 102  -1.808  -9.166  -6.932
  840    HA   THR 102           HA       THR 102   0.999  -8.771  -7.946
  841    HB   THR 102           HB       THR 102   1.797  -9.293  -5.706
  842    HG1  THR 102           1HG      THR 102  -0.852  -9.720  -5.223
  843   1HG2  THR 102          1HG2      THR 102  -0.096  -6.921  -5.663
  844   2HG2  THR 102          2HG2      THR 102   1.398  -7.135  -4.743
  845   3HG2  THR 102          3HG2      THR 102   1.442  -6.932  -6.511
  846    H    GLU 103           H        GLU 103  -1.518 -11.103  -7.247
  847    HA   GLU 103           HA       GLU 103  -0.001 -13.235  -8.498
  848   1HB   GLU 103          2HB       GLU 103  -0.750 -14.928  -6.940
  849   2HB   GLU 103          3HB       GLU 103   0.210 -13.733  -6.089
  850   1HG   GLU 103          2HG       GLU 103  -1.440 -13.997  -4.563
  851   2HG   GLU 103          3HG       GLU 103  -2.145 -12.684  -5.451
  852    HHA  HEC 104           HHA      HEC 104   5.125   2.913   0.861
  853    HHB  HEC 104           HHB      HEC 104  -0.552   0.125  -0.264
  854    HHC  HEC 104           HHC      HEC 104  -3.155   5.955  -1.450
  855    HHD  HEC 104           HHD      HEC 104   2.700   8.578  -1.055
  856   1HMA  HEC 104          1HMA      HEC 104   1.408  -1.392   1.405
  857   2HMA  HEC 104          2HMA      HEC 104   1.112  -1.464  -0.349
  858   3HMA  HEC 104          3HMA      HEC 104   2.735  -1.753   0.280
  859   1HAA  HEC 104          1HAA      HEC 104   4.331  -0.742   1.503
  860   2HAA  HEC 104          2HAA      HEC 104   4.893   0.841   2.008
  861   1HBA  HEC 104          1HBA      HEC 104   5.990   1.078  -0.278
  862   2HBA  HEC 104          2HBA      HEC 104   5.510  -0.581  -0.613
  863   1HMB  HEC 104          1HMB      HEC 104  -3.939   0.440  -0.396
  864   2HMB  HEC 104          2HMB      HEC 104  -3.693   0.684  -2.135
  865   3HMB  HEC 104          3HMB      HEC 104  -2.483  -0.165  -1.185
  866    HAB  HEC 104           HAB      HEC 104  -4.663   4.628  -1.275
  867   1HBB  HEC 104          1HBB      HEC 104  -5.061   3.330   0.785
  868   2HBB  HEC 104          2HBB      HEC 104  -6.450   3.514  -0.307
  869   3HBB  HEC 104          3HBB      HEC 104  -5.584   1.969  -0.235
  870   1HMC  HEC 104          1HMC      HEC 104  -2.494   9.588  -2.131
  871   2HMC  HEC 104          2HMC      HEC 104  -2.550   8.236  -3.280
  872   3HMC  HEC 104          3HMC      HEC 104  -3.394   8.128  -1.734
  873    HAC  HEC 104           HAC      HEC 104   1.496   9.832  -2.103
  874   1HBC  HEC 104          1HBC      HEC 104   0.356  10.787  -0.190
  875   2HBC  HEC 104          2HBC      HEC 104   0.397  11.895  -1.575
  876   3HBC  HEC 104          3HBC      HEC 104  -1.105  11.042  -1.167
  877   1HMD  HEC 104          1HMD      HEC 104   6.012   8.210   0.554
  878   2HMD  HEC 104          2HMD      HEC 104   5.841   8.097  -1.211
  879   3HMD  HEC 104          3HMD      HEC 104   4.641   8.970  -0.240
  880   1HAD  HEC 104          1HAD      HEC 104   6.603   4.368   1.203
  881   2HAD  HEC 104          2HAD      HEC 104   6.619   6.022   1.734
  882   1HBD  HEC 104          1HBD      HEC 104   7.009   5.758  -1.184
  883   2HBD  HEC 104          2HBD      HEC 104   8.195   4.823  -0.310
  Start of MODEL   25
    1   1H    THR  -5          H1        THR  -5 -10.985 -15.542  12.638
    2   2H    THR  -5          H2        THR  -5 -10.072 -14.373  13.315
    3   3H    THR  -5          H3        THR  -5  -9.347 -15.775  12.872
    4    HA   THR  -5           HA       THR  -5  -8.911 -13.911  11.394
    5    HB   THR  -5           HB       THR  -5  -8.713 -16.155  10.500
    6    HG1  THR  -5           1HG      THR  -5  -9.000 -15.455   8.338
    7   1HG2  THR  -5          1HG2      THR  -5 -11.501 -15.860   9.326
    8   2HG2  THR  -5          2HG2      THR  -5 -10.349 -17.177   9.066
    9   3HG2  THR  -5          3HG2      THR  -5 -11.099 -16.970  10.657
   10    H    GLU  -4           H        GLU  -4  -9.641 -12.098  11.157
   11    HA   GLU  -4           HA       GLU  -4 -12.455 -11.440  11.379
   12   1HB   GLU  -4          2HB       GLU  -4  -9.811  -9.974  11.775
   13   2HB   GLU  -4          3HB       GLU  -4 -11.384  -9.272  12.115
   14   1HG   GLU  -4          2HG       GLU  -4 -10.278 -10.037  14.163
   15   2HG   GLU  -4          3HG       GLU  -4 -11.830 -10.816  13.886
   16    H    PHE  -3           H        PHE  -3 -10.576 -11.698   8.769
   17    HA   PHE  -3           HA       PHE  -3 -11.007  -9.233   7.266
   18   1HB   PHE  -3          2HB       PHE  -3  -8.969 -10.592   7.091
   19   2HB   PHE  -3          3HB       PHE  -3  -9.899 -11.995   6.606
   20    HD1  PHE  -3           HD1      PHE  -3  -8.687  -8.651   5.541
   21    HD2  PHE  -3           HD2      PHE  -3 -10.523 -12.349   4.316
   22    HE1  PHE  -3           HE1      PHE  -3  -8.271  -8.069   3.161
   23    HE2  PHE  -3           HE2      PHE  -3 -10.088 -11.770   1.931
   24    HZ   PHE  -3           HZ       PHE  -3  -8.987  -9.626   1.353
   25    H    LYS  -2           H        LYS  -2 -13.100  -8.753   6.549
   26    HA   LYS  -2           HA       LYS  -2 -14.957 -10.827   5.639
   27   1HB   LYS  -2          2HB       LYS  -2 -15.049  -7.771   5.770
   28   2HB   LYS  -2          3HB       LYS  -2 -16.308  -8.800   5.153
   29   1HG   LYS  -2          2HG       LYS  -2 -17.159  -8.537   7.221
   30   2HG   LYS  -2          3HG       LYS  -2 -16.157  -9.953   7.560
   31   1HD   LYS  -2          2HD       LYS  -2 -14.353  -8.423   8.382
   32   2HD   LYS  -2          3HD       LYS  -2 -15.373  -7.033   8.046
   33   1HE   LYS  -2          2HE       LYS  -2 -16.065  -9.270  10.002
   34   2HE   LYS  -2          3HE       LYS  -2 -15.317  -7.731  10.441
   35   1HZ   LYS  -2          1HZ       LYS  -2 -18.015  -8.026   9.230
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.678  -7.521  10.762
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.285  -6.600   9.465
   38    H    ALA  -1           H        ALA  -1 -13.752 -11.687   3.923
   39    HA   ALA  -1           HA       ALA  -1 -12.269 -10.505   1.977
   40   1HB   ALA  -1          1HB       ALA  -1 -14.158 -12.857   1.565
   41   2HB   ALA  -1          2HB       ALA  -1 -12.709 -12.503   0.604
   42   3HB   ALA  -1          3HB       ALA  -1 -12.546 -12.943   2.316
   43    H    GLY   1           H        GLY   1 -12.477 -10.033  -0.358
   44   1HA   GLY   1          1HA       GLY   1 -15.044  -8.674  -1.013
   45   2HA   GLY   1          2HA       GLY   1 -13.442  -7.950  -1.170
   46    H    SER   2           H        SER   2 -13.997  -7.600  -3.245
   47    HA   SER   2           HA       SER   2 -13.513  -9.855  -5.181
   48   1HB   SER   2          2HB       SER   2 -15.888  -9.194  -5.254
   49   2HB   SER   2          3HB       SER   2 -15.395  -7.517  -5.557
   50    HG   SER   2           HG       SER   2 -15.153  -9.783  -7.213
   51    H    ALA   3           H        ALA   3 -11.636  -9.534  -6.189
   52    HA   ALA   3           HA       ALA   3 -10.039  -7.287  -6.009
   53   1HB   ALA   3          1HB       ALA   3 -10.078  -9.388  -8.218
   54   2HB   ALA   3          2HB       ALA   3  -8.729  -8.291  -7.871
   55   3HB   ALA   3          3HB       ALA   3  -9.215  -9.494  -6.664
   56    H    LYS   4           H        LYS   4 -12.714  -7.584  -8.207
   57    HA   LYS   4           HA       LYS   4 -11.880  -5.379  -9.913
   58   1HB   LYS   4          2HB       LYS   4 -13.593  -7.285 -10.465
   59   2HB   LYS   4          3HB       LYS   4 -14.760  -6.272  -9.601
   60   1HG   LYS   4          2HG       LYS   4 -14.175  -4.386 -11.207
   61   2HG   LYS   4          3HG       LYS   4 -13.115  -5.518 -12.066
   62   1HD   LYS   4          2HD       LYS   4 -15.154  -7.008 -12.438
   63   2HD   LYS   4          3HD       LYS   4 -16.128  -5.745 -11.678
   64   1HE   LYS   4          2HE       LYS   4 -16.413  -5.290 -13.942
   65   2HE   LYS   4          3HE       LYS   4 -15.176  -4.131 -13.450
   66   1HZ   LYS   4          1HZ       LYS   4 -14.717  -6.699 -14.885
   67   2HZ   LYS   4          2HZ       LYS   4 -14.562  -5.195 -15.513
   68   3HZ   LYS   4          3HZ       LYS   4 -13.507  -5.712 -14.369
   69    H    LYS   5           H        LYS   5 -13.588  -5.568  -7.061
   70    HA   LYS   5           HA       LYS   5 -14.746  -2.821  -6.992
   71   1HB   LYS   5          2HB       LYS   5 -14.394  -4.932  -4.830
   72   2HB   LYS   5          3HB       LYS   5 -14.835  -3.277  -4.439
   73   1HG   LYS   5          2HG       LYS   5 -16.828  -3.408  -5.860
   74   2HG   LYS   5          3HG       LYS   5 -16.440  -5.090  -6.288
   75   1HD   LYS   5          2HD       LYS   5 -16.767  -5.832  -4.011
   76   2HD   LYS   5          3HD       LYS   5 -16.763  -4.180  -3.398
   77   1HE   LYS   5          2HE       LYS   5 -19.007  -4.918  -3.318
   78   2HE   LYS   5          3HE       LYS   5 -18.889  -3.727  -4.619
   79   1HZ   LYS   5          1HZ       LYS   5 -18.912  -6.678  -4.967
   80   2HZ   LYS   5          2HZ       LYS   5 -20.165  -5.670  -5.310
   81   3HZ   LYS   5          3HZ       LYS   5 -18.776  -5.585  -6.190
   82    H    GLY   6           H        GLY   6 -11.943  -4.360  -5.408
   83   1HA   GLY   6          1HA       GLY   6 -10.739  -2.018  -4.353
   84   2HA   GLY   6          2HA       GLY   6  -9.871  -3.457  -4.840
   85    H    ALA   7           H        ALA   7 -10.272  -3.437  -7.650
   86    HA   ALA   7           HA       ALA   7  -8.459  -1.518  -8.616
   87   1HB   ALA   7          1HB       ALA   7 -10.645  -2.875 -10.248
   88   2HB   ALA   7          2HB       ALA   7  -9.083  -2.261 -10.826
   89   3HB   ALA   7          3HB       ALA   7  -9.140  -3.667  -9.748
   90    H    THR   8           H        THR   8 -12.048  -1.329  -8.760
   91    HA   THR   8           HA       THR   8 -12.111   1.316  -9.936
   92    HB   THR   8           HB       THR   8 -14.494   1.315  -8.911
   93    HG1  THR   8           1HG      THR   8 -13.861  -0.583  -7.487
   94   1HG2  THR   8          1HG2      THR   8 -13.681  -0.868 -10.875
   95   2HG2  THR   8          2HG2      THR   8 -15.306  -0.175 -10.681
   96   3HG2  THR   8          3HG2      THR   8 -13.985   0.841 -11.285
   97    H    LEU   9           H        LEU   9 -11.721   0.276  -6.603
   98    HA   LEU   9           HA       LEU   9 -12.342   2.870  -5.406
   99   1HB   LEU   9          2HB       LEU   9 -11.036   0.315  -4.421
  100   2HB   LEU   9          3HB       LEU   9 -10.972   1.777  -3.445
  101    HG   LEU   9           HG       LEU   9 -13.592   0.735  -4.511
  102   1HD1  LEU   9          1HD1      LEU   9 -12.216  -0.020  -1.887
  103   2HD1  LEU   9          2HD1      LEU   9 -13.900  -0.401  -2.305
  104   3HD1  LEU   9          3HD1      LEU   9 -12.579  -1.115  -3.242
  105   1HD2  LEU   9          1HD2      LEU   9 -13.581   3.034  -3.573
  106   2HD2  LEU   9          2HD2      LEU   9 -14.521   1.933  -2.558
  107   3HD2  LEU   9          3HD2      LEU   9 -12.894   2.407  -2.050
  108    H    PHE  10           H        PHE  10  -9.379   1.011  -5.842
  109    HA   PHE  10           HA       PHE  10  -7.358   2.755  -5.179
  110   1HB   PHE  10          2HB       PHE  10  -7.049   0.431  -5.828
  111   2HB   PHE  10          3HB       PHE  10  -7.529   0.769  -7.475
  112    HD1  PHE  10           HD1      PHE  10  -5.954   1.545  -9.106
  113    HD2  PHE  10           HD2      PHE  10  -4.828   1.276  -4.952
  114    HE1  PHE  10           HE1      PHE  10  -3.542   1.731  -9.725
  115    HE2  PHE  10           HE2      PHE  10  -2.452   1.672  -5.595
  116    HZ   PHE  10           HZ       PHE  10  -1.812   1.864  -7.962
  117    H    LYS  11           H        LYS  11  -9.120   2.725  -8.330
  118    HA   LYS  11           HA       LYS  11  -7.470   4.617  -9.678
  119   1HB   LYS  11          2HB       LYS  11  -9.947   3.044 -10.035
  120   2HB   LYS  11          3HB       LYS  11 -10.080   4.622 -10.734
  121   1HG   LYS  11          2HG       LYS  11  -8.048   4.287 -12.062
  122   2HG   LYS  11          3HG       LYS  11  -7.686   2.786 -11.183
  123   1HD   LYS  11          2HD       LYS  11  -9.729   1.739 -12.163
  124   2HD   LYS  11          3HD       LYS  11 -10.053   3.244 -13.037
  125   1HE   LYS  11          2HE       LYS  11  -8.981   1.740 -14.576
  126   2HE   LYS  11          3HE       LYS  11  -7.851   3.040 -14.199
  127   1HZ   LYS  11          1HZ       LYS  11  -7.790   0.313 -13.004
  128   2HZ   LYS  11          2HZ       LYS  11  -6.750   0.877 -14.142
  129   3HZ   LYS  11          3HZ       LYS  11  -6.738   1.514 -12.640
  130    H    THR  12           H        THR  12  -9.817   5.156  -7.239
  131    HA   THR  12           HA       THR  12  -9.395   8.086  -7.423
  132    HB   THR  12           HB       THR  12 -11.441   7.671  -8.602
  133    HG1  THR  12           1HG      THR  12 -12.463   9.250  -7.669
  134   1HG2  THR  12          1HG2      THR  12 -12.527   6.427  -6.052
  135   2HG2  THR  12          2HG2      THR  12 -13.482   6.882  -7.477
  136   3HG2  THR  12          3HG2      THR  12 -12.266   5.604  -7.600
  137    H    ARG  13           H        ARG  13  -8.145   6.176  -5.877
  138    HA   ARG  13           HA       ARG  13  -8.462   7.466  -3.211
  139   1HB   ARG  13          2HB       ARG  13  -8.115   4.460  -3.625
  140   2HB   ARG  13          3HB       ARG  13  -7.955   5.278  -2.074
  141   1HG   ARG  13          2HG       ARG  13 -10.521   5.152  -3.695
  142   2HG   ARG  13          3HG       ARG  13 -10.078   4.058  -2.391
  143   1HD   ARG  13          2HD       ARG  13 -10.036   5.978  -0.823
  144   2HD   ARG  13          3HD       ARG  13 -10.500   7.068  -2.140
  145    HE   ARG  13           HE       ARG  13 -12.198   5.086  -0.757
  146   1HH1  ARG  13          1HH2      ARG  13 -12.016   7.063  -3.681
  147   2HH1  ARG  13          2HH2      ARG  13 -13.726   6.912  -3.953
  148   1HH2  ARG  13          1HH1      ARG  13 -14.272   4.831  -1.247
  149   2HH2  ARG  13          2HH1      ARG  13 -14.979   5.623  -2.633
  150    H    CYS  14           H        CYS  14  -6.426   5.539  -5.361
  151    HA   CYS  14           HA       CYS  14  -3.989   6.374  -3.819
  152   1HB   CYS  14          2HB       CYS  14  -4.453   3.729  -5.131
  153   2HB   CYS  14          3HB       CYS  14  -3.249   4.112  -3.913
  154    H    LEU  15           H        LEU  15  -5.239   5.430  -7.040
  155    HA   LEU  15           HA       LEU  15  -2.857   5.063  -8.406
  156   1HB   LEU  15          2HB       LEU  15  -5.077   4.469  -9.221
  157   2HB   LEU  15          3HB       LEU  15  -5.488   6.181  -9.393
  158    HG   LEU  15           HG       LEU  15  -3.685   6.412 -11.108
  159   1HD1  LEU  15          1HD1      LEU  15  -3.561   3.377 -11.130
  160   2HD1  LEU  15          2HD1      LEU  15  -2.688   4.493 -12.178
  161   3HD1  LEU  15          3HD1      LEU  15  -2.289   4.408 -10.455
  162   1HD2  LEU  15          1HD2      LEU  15  -6.039   6.011 -11.726
  163   2HD2  LEU  15          2HD2      LEU  15  -4.910   5.307 -12.898
  164   3HD2  LEU  15          3HD2      LEU  15  -5.724   4.256 -11.716
  165    H    GLN  16           H        GLN  16  -4.171   8.160  -7.482
  166    HA   GLN  16           HA       GLN  16  -2.634   9.971  -8.985
  167   1HB   GLN  16          2HB       GLN  16  -2.943  11.460  -7.058
  168   2HB   GLN  16          3HB       GLN  16  -4.415  10.588  -7.474
  169   1HG   GLN  16          2HG       GLN  16  -3.716   8.902  -5.579
  170   2HG   GLN  16          3HG       GLN  16  -2.606  10.173  -5.070
  171   1HE2  GLN  16          2HE2      GLN  16  -3.556  12.160  -4.149
  172   2HE2  GLN  16          1HE2      GLN  16  -5.305  12.140  -3.808
  173    H    CYS  17           H        CYS  17  -1.513   7.939  -6.251
  174    HA   CYS  17           HA       CYS  17   1.204   9.199  -6.466
  175   1HB   CYS  17          2HB       CYS  17  -0.266   8.045  -4.098
  176   2HB   CYS  17          3HB       CYS  17   1.432   8.512  -4.083
  177    H    HIS  18           H        HIS  18  -0.409   6.274  -7.028
  178    HA   HIS  18           HA       HIS  18   2.123   4.672  -6.853
  179   1HB   HIS  18          1HB       HIS  18  -0.639   4.079  -5.709
  180   2HB   HIS  18          2HB       HIS  18   0.565   2.832  -5.969
  181    HD1  HIS  18           HD1      HIS  18   2.967   3.194  -4.595
  182    HD2  HIS  18           HD2      HIS  18  -0.471   5.300  -3.395
  183    HE1  HIS  18           HE1      HIS  18   3.360   3.912  -2.178
  184    H    THR  19           H        THR  19   1.844   2.486  -7.802
  185    HA   THR  19           HA       THR  19  -0.001   2.174 -10.138
  186    HB   THR  19           HB       THR  19   1.900   0.990 -11.199
  187    HG1  THR  19           1HG      THR  19   3.736   1.007 -10.198
  188   1HG2  THR  19          1HG2      THR  19   2.258   3.991 -10.826
  189   2HG2  THR  19          2HG2      THR  19   2.896   3.012 -12.155
  190   3HG2  THR  19          3HG2      THR  19   1.139   3.210 -11.988
  191    H    VAL  20           H        VAL  20  -0.405  -0.020 -10.641
  192    HA   VAL  20           HA       VAL  20  -0.116  -1.994  -8.383
  193    HB   VAL  20           HB       VAL  20  -2.373  -1.076  -8.562
  194   1HG1  VAL  20          1HG1      VAL  20  -2.374  -2.168 -11.404
  195   2HG1  VAL  20          2HG1      VAL  20  -3.822  -1.677 -10.544
  196   3HG1  VAL  20          3HG1      VAL  20  -2.572  -0.481 -10.895
  197   1HG2  VAL  20          1HG2      VAL  20  -1.943  -3.496  -7.909
  198   2HG2  VAL  20          2HG2      VAL  20  -3.577  -3.134  -8.470
  199   3HG2  VAL  20          3HG2      VAL  20  -2.449  -3.920  -9.566
  200    H    GLU  21           H        GLU  21   0.452  -1.269 -11.571
  201    HA   GLU  21           HA       GLU  21   0.574  -3.859 -12.815
  202   1HB   GLU  21          2HB       GLU  21   1.864  -1.263 -13.671
  203   2HB   GLU  21          3HB       GLU  21   1.452  -2.627 -14.671
  204   1HG   GLU  21          2HG       GLU  21  -0.144  -0.990 -15.201
  205   2HG   GLU  21          3HG       GLU  21  -0.976  -2.228 -14.276
  206    H    LYS  22           H        LYS  22   2.629  -4.634 -13.819
  207    HA   LYS  22           HA       LYS  22   4.717  -4.855 -11.748
  208   1HB   LYS  22          2HB       LYS  22   3.507  -6.773 -12.853
  209   2HB   LYS  22          3HB       LYS  22   4.314  -6.366 -14.369
  210   1HG   LYS  22          2HG       LYS  22   6.516  -6.817 -13.337
  211   2HG   LYS  22          3HG       LYS  22   5.748  -7.091 -11.769
  212   1HD   LYS  22          2HD       LYS  22   4.292  -8.890 -13.041
  213   2HD   LYS  22          3HD       LYS  22   5.473  -8.679 -14.322
  214   1HE   LYS  22          2HE       LYS  22   6.466 -10.456 -13.158
  215   2HE   LYS  22          3HE       LYS  22   7.196  -9.101 -12.279
  216   1HZ   LYS  22          1HZ       LYS  22   4.810 -10.678 -11.444
  217   2HZ   LYS  22          2HZ       LYS  22   6.253 -10.624 -10.662
  218   3HZ   LYS  22          3HZ       LYS  22   5.237  -9.321 -10.702
  219    H    GLY  23           H        GLY  23   6.383  -3.418 -11.841
  220   1HA   GLY  23          1HA       GLY  23   8.228  -2.296 -12.730
  221   2HA   GLY  23          2HA       GLY  23   7.879  -2.973 -14.320
  222    H    GLY  24           H        GLY  24   5.525  -1.119 -12.382
  223   1HA   GLY  24          1HA       GLY  24   5.209   0.875 -14.505
  224   2HA   GLY  24          2HA       GLY  24   4.258   0.728 -13.018
  225    HA   PRO  25           HA       PRO  25   7.955   3.808 -12.980
  226   1HB   PRO  25          2HB       PRO  25   6.737   6.260 -13.386
  227   2HB   PRO  25          3HB       PRO  25   7.370   5.210 -14.688
  228   1HG   PRO  25          2HG       PRO  25   4.518   5.399 -13.671
  229   2HG   PRO  25          3HG       PRO  25   5.093   5.430 -15.370
  230   1HD   PRO  25          2HD       PRO  25   4.160   3.144 -14.265
  231   2HD   PRO  25          3HD       PRO  25   5.592   3.107 -15.338
  232    H    HIS  26           H        HIS  26   8.616   4.236 -11.044
  233    HA   HIS  26           HA       HIS  26   7.178   4.498  -8.622
  234   1HB   HIS  26          2HB       HIS  26   9.964   5.329  -9.523
  235   2HB   HIS  26          3HB       HIS  26   9.409   5.484  -7.865
  236    HD1  HIS  26           HD1      HIS  26   7.926   2.290  -8.844
  237    HD2  HIS  26           HD2      HIS  26  11.755   3.747  -7.840
  238    HE1  HIS  26           HE1      HIS  26   9.199   0.376  -7.664
  239    H    LYS  27           H        LYS  27   5.628   5.932  -8.479
  240    HA   LYS  27           HA       LYS  27   5.781   8.781  -9.241
  241   1HB   LYS  27          2HB       LYS  27   3.716   6.900  -8.026
  242   2HB   LYS  27          3HB       LYS  27   3.378   8.620  -8.193
  243   1HG   LYS  27          2HG       LYS  27   3.557   8.525 -10.602
  244   2HG   LYS  27          3HG       LYS  27   4.001   6.804 -10.531
  245   1HD   LYS  27          2HD       LYS  27   1.878   6.321  -9.346
  246   2HD   LYS  27          3HD       LYS  27   1.385   8.017  -9.513
  247   1HE   LYS  27          2HE       LYS  27   1.354   7.809 -11.942
  248   2HE   LYS  27          3HE       LYS  27   2.049   6.179 -11.848
  249   1HZ   LYS  27          1HZ       LYS  27  -0.593   6.918 -10.679
  250   2HZ   LYS  27          2HZ       LYS  27  -0.388   6.097 -12.104
  251   3HZ   LYS  27          3HZ       LYS  27   0.068   5.455 -10.655
  252    H    VAL  28           H        VAL  28   4.292   9.835  -7.224
  253    HA   VAL  28           HA       VAL  28   5.824  10.787  -5.141
  254    HB   VAL  28           HB       VAL  28   2.887  10.083  -4.883
  255   1HG1  VAL  28          1HG1      VAL  28   4.556  12.320  -3.657
  256   2HG1  VAL  28          2HG1      VAL  28   2.795  12.145  -3.493
  257   3HG1  VAL  28          3HG1      VAL  28   3.867  10.930  -2.792
  258   1HG2  VAL  28          1HG2      VAL  28   3.106  11.282  -6.998
  259   2HG2  VAL  28          2HG2      VAL  28   2.414  12.355  -5.797
  260   3HG2  VAL  28          3HG2      VAL  28   4.130  12.516  -6.222
  261    H    GLY  29           H        GLY  29   4.169   7.615  -5.197
  262   1HA   GLY  29          1HA       GLY  29   6.033   6.734  -3.099
  263   2HA   GLY  29          2HA       GLY  29   4.343   6.212  -3.032
  264    HA   PRO  30           HA       PRO  30   7.223   3.544  -5.688
  265   1HB   PRO  30          2HB       PRO  30   6.474   1.337  -3.805
  266   2HB   PRO  30          3HB       PRO  30   8.070   1.767  -4.491
  267   1HG   PRO  30          2HG       PRO  30   7.452   2.357  -1.909
  268   2HG   PRO  30          3HG       PRO  30   8.378   3.512  -2.917
  269   1HD   PRO  30          2HD       PRO  30   5.427   3.505  -2.296
  270   2HD   PRO  30          3HD       PRO  30   6.588   4.863  -2.246
  271    H    ASN  31           H        ASN  31   6.909   1.150  -6.486
  272    HA   ASN  31           HA       ASN  31   4.323   0.942  -7.870
  273   1HB   ASN  31          2HB       ASN  31   6.548   0.719  -9.053
  274   2HB   ASN  31          3HB       ASN  31   6.881  -0.734  -8.103
  275   1HD2  ASN  31          2HD2      ASN  31   5.916  -2.734  -8.880
  276   2HD2  ASN  31          1HD2      ASN  31   4.658  -2.606 -10.154
  277    H    LEU  32           H        LEU  32   2.650  -0.210  -6.869
  278    HA   LEU  32           HA       LEU  32   3.282  -1.846  -4.502
  279   1HB   LEU  32          2HB       LEU  32   0.651  -0.776  -5.579
  280   2HB   LEU  32          3HB       LEU  32   0.834  -1.699  -4.099
  281    HG   LEU  32           HG       LEU  32   2.182   1.005  -4.498
  282   1HD1  LEU  32          1HD1      LEU  32  -0.384   0.209  -3.039
  283   2HD1  LEU  32          2HD1      LEU  32   0.363   1.815  -3.010
  284   3HD1  LEU  32          3HD1      LEU  32  -0.305   1.170  -4.529
  285   1HD2  LEU  32          1HD2      LEU  32   3.289  -0.412  -2.856
  286   2HD2  LEU  32          2HD2      LEU  32   2.457   0.918  -2.089
  287   3HD2  LEU  32          3HD2      LEU  32   1.738  -0.716  -2.041
  288    H    HIS  33           H        HIS  33   3.749  -2.826  -7.168
  289    HA   HIS  33           HA       HIS  33   2.222  -5.420  -7.098
  290   1HB   HIS  33          2HB       HIS  33   2.337  -4.260  -9.289
  291   2HB   HIS  33          3HB       HIS  33   4.090  -4.340  -9.234
  292    HD1  HIS  33           HD1      HIS  33   1.147  -6.404 -10.194
  293    HD2  HIS  33           HD2      HIS  33   5.209  -6.892  -9.215
  294    HE1  HIS  33           HE1      HIS  33   1.811  -8.719 -11.040
  295    H    GLY  34           H        GLY  34   3.201  -6.771  -5.717
  296   1HA   GLY  34          1HA       GLY  34   4.969  -8.377  -5.324
  297   2HA   GLY  34          2HA       GLY  34   6.134  -7.294  -6.061
  298    H    ILE  35           H        ILE  35   4.237  -5.561  -3.780
  299    HA   ILE  35           HA       ILE  35   6.391  -5.486  -1.858
  300    HB   ILE  35           HB       ILE  35   5.076  -4.109  -0.514
  301   1HG1  ILE  35          2HG1      ILE  35   2.922  -5.208  -0.420
  302   2HG1  ILE  35          3HG1      ILE  35   2.787  -3.503  -0.775
  303   1HG2  ILE  35          1HG2      ILE  35   4.577  -3.385  -3.427
  304   2HG2  ILE  35          2HG2      ILE  35   4.546  -2.275  -2.036
  305   3HG2  ILE  35          3HG2      ILE  35   6.042  -3.082  -2.483
  306   1HD1  ILE  35          1HD1      ILE  35   2.430  -5.734  -2.816
  307   2HD1  ILE  35          2HD1      ILE  35   1.161  -4.752  -2.065
  308   3HD1  ILE  35          3HD1      ILE  35   2.336  -3.984  -3.136
  309    H    PHE  36           H        PHE  36   3.488  -7.435  -2.123
  310    HA   PHE  36           HA       PHE  36   3.215  -8.389   0.466
  311   1HB   PHE  36          2HB       PHE  36   2.441  -9.517  -2.221
  312   2HB   PHE  36          3HB       PHE  36   2.190 -10.456  -0.757
  313    HD1  PHE  36           HD1      PHE  36   0.871  -9.518   1.172
  314    HD2  PHE  36           HD2      PHE  36   0.878  -7.701  -2.748
  315    HE1  PHE  36           HE1      PHE  36  -1.123  -8.229   1.772
  316    HE2  PHE  36           HE2      PHE  36  -1.102  -6.373  -2.125
  317    HZ   PHE  36           HZ       PHE  36  -2.116  -6.611   0.169
  318    H    GLY  37           H        GLY  37   4.464  -9.370   1.729
  319   1HA   GLY  37          1HA       GLY  37   5.837 -11.076   2.607
  320   2HA   GLY  37          2HA       GLY  37   6.096 -11.727   0.987
  321    H    ARG  38           H        ARG  38   6.681  -8.417   0.877
  322    HA   ARG  38           HA       ARG  38   9.591  -8.710   1.448
  323   1HB   ARG  38          2HB       ARG  38   8.482  -7.813  -0.883
  324   2HB   ARG  38          3HB       ARG  38   8.476  -6.305   0.004
  325   1HG   ARG  38          2HG       ARG  38  10.490  -6.315  -1.235
  326   2HG   ARG  38          3HG       ARG  38  10.989  -6.706   0.413
  327   1HD   ARG  38          2HD       ARG  38  10.800  -9.186  -0.311
  328   2HD   ARG  38          3HD       ARG  38  10.679  -8.554  -1.963
  329    HE   ARG  38           HE       ARG  38  12.956  -7.535  -0.381
  330   1HH1  ARG  38          1HH2      ARG  38  12.054 -10.035  -2.623
  331   2HH1  ARG  38          2HH2      ARG  38  13.698 -10.349  -3.109
  332   1HH2  ARG  38          1HH1      ARG  38  14.965  -7.951  -0.950
  333   2HH2  ARG  38          2HH1      ARG  38  15.368  -9.177  -2.134
  334    H    HIS  39           H        HIS  39  10.457  -6.421   2.095
  335    HA   HIS  39           HA       HIS  39   9.009  -5.753   4.615
  336   1HB   HIS  39          2HB       HIS  39  11.969  -5.556   3.936
  337   2HB   HIS  39          3HB       HIS  39  11.240  -5.022   5.447
  338    HD1  HIS  39           HD1      HIS  39  12.093  -8.308   3.603
  339    HD2  HIS  39           HD2      HIS  39  10.649  -6.855   7.286
  340    HE1  HIS  39           HE1      HIS  39  12.130 -10.273   5.230
  341    H    SER  40           H        SER  40   8.729  -3.555   5.148
  342    HA   SER  40           HA       SER  40   8.404  -1.672   3.163
  343   1HB   SER  40          2HB       SER  40   7.993  -0.049   4.916
  344   2HB   SER  40          3HB       SER  40   7.330  -1.617   5.363
  345    HG   SER  40           HG       SER  40   9.552  -0.253   6.450
  346    H    GLY  41           H        GLY  41   9.709  -0.580   1.942
  347   1HA   GLY  41          1HA       GLY  41  11.638   0.914   1.536
  348   2HA   GLY  41          2HA       GLY  41  12.499   0.126   2.829
  349    H    GLN  42           H        GLN  42  10.846  -1.734   0.229
  350    HA   GLN  42           HA       GLN  42  13.491  -2.389  -0.963
  351   1HB   GLN  42          2HB       GLN  42  11.550  -4.441   0.159
  352   2HB   GLN  42          3HB       GLN  42  12.949  -4.809  -0.860
  353   1HG   GLN  42          2HG       GLN  42  14.371  -3.555   0.869
  354   2HG   GLN  42          3HG       GLN  42  12.969  -3.645   1.937
  355   1HE2  GLN  42          2HE2      GLN  42  14.661  -4.833   3.291
  356   2HE2  GLN  42          1HE2      GLN  42  14.834  -6.559   2.983
  357    H    ALA  43           H        ALA  43  10.796  -1.050  -1.948
  358    HA   ALA  43           HA       ALA  43  10.360  -2.416  -4.467
  359   1HB   ALA  43          1HB       ALA  43  10.079   0.512  -3.669
  360   2HB   ALA  43          2HB       ALA  43   9.457  -0.217  -5.161
  361   3HB   ALA  43          3HB       ALA  43   8.801  -0.724  -3.597
  362    H    GLU  44           H        GLU  44  11.008  -1.231  -6.551
  363    HA   GLU  44           HA       GLU  44  13.624  -1.997  -6.971
  364   1HB   GLU  44          2HB       GLU  44  11.746  -0.463  -8.796
  365   2HB   GLU  44          3HB       GLU  44  13.192  -1.340  -9.306
  366   1HG   GLU  44          2HG       GLU  44  12.224  -3.464  -8.529
  367   2HG   GLU  44          3HG       GLU  44  10.813  -2.624  -7.886
  368    H    GLY  45           H        GLY  45  14.733  -0.563  -5.368
  369   1HA   GLY  45          1HA       GLY  45  16.640   0.867  -5.252
  370   2HA   GLY  45          2HA       GLY  45  16.269   1.502  -6.854
  371    H    TYR  46           H        TYR  46  13.612   1.483  -4.665
  372    HA   TYR  46           HA       TYR  46  13.472   4.390  -4.850
  373   1HB   TYR  46          2HB       TYR  46  11.632   2.779  -5.293
  374   2HB   TYR  46          3HB       TYR  46  11.482   2.411  -3.622
  375    HD1  TYR  46           HD1      TYR  46   9.656   3.775  -5.921
  376    HD2  TYR  46           HD2      TYR  46  11.512   5.143  -2.312
  377    HE1  TYR  46           HE1      TYR  46   8.193   5.809  -5.935
  378    HE2  TYR  46           HE2      TYR  46  10.102   7.171  -2.355
  379    HH   TYR  46           HH       TYR  46   7.868   7.858  -5.039
  380    H    SER  47           H        SER  47  14.208   5.785  -3.370
  381    HA   SER  47           HA       SER  47  14.827   5.065  -0.577
  382   1HB   SER  47          2HB       SER  47  15.044   7.645  -2.157
  383   2HB   SER  47          3HB       SER  47  15.430   7.512  -0.431
  384    HG   SER  47           HG       SER  47  17.219   7.165  -2.022
  385    H    TYR  48           H        TYR  48  12.970   4.700   0.567
  386    HA   TYR  48           HA       TYR  48  10.467   6.124   0.262
  387   1HB   TYR  48          2HB       TYR  48  11.477   4.167   2.342
  388   2HB   TYR  48          3HB       TYR  48   9.854   4.824   2.311
  389    HD1  TYR  48           HD1      TYR  48   8.451   3.079   1.979
  390    HD2  TYR  48           HD2      TYR  48  11.910   3.347  -0.524
  391    HE1  TYR  48           HE1      TYR  48   7.983   0.855   1.009
  392    HE2  TYR  48           HE2      TYR  48  11.318   1.221  -1.626
  393    HH   TYR  48           HH       TYR  48   8.305  -0.438  -0.890
  394    H    THR  49           H        THR  49  11.400   5.687   3.553
  395    HA   THR  49           HA       THR  49  12.338   8.410   4.114
  396    HB   THR  49           HB       THR  49  10.835   8.406   6.188
  397    HG1  THR  49           1HG      THR  49   8.885   7.032   4.847
  398   1HG2  THR  49          1HG2      THR  49   9.444   8.782   3.527
  399   2HG2  THR  49          2HG2      THR  49   8.942   9.452   5.091
  400   3HG2  THR  49          3HG2      THR  49  10.467   9.976   4.356
  401    H    ASP  50           H        ASP  50  13.424   8.504   6.164
  402    HA   ASP  50           HA       ASP  50  14.918   6.296   7.069
  403   1HB   ASP  50          2HB       ASP  50  15.430   8.662   7.487
  404   2HB   ASP  50          3HB       ASP  50  13.994   8.821   8.506
  405    H    ALA  51           H        ALA  51  11.904   7.628   8.501
  406    HA   ALA  51           HA       ALA  51  11.520   5.757  10.546
  407   1HB   ALA  51          1HB       ALA  51   9.475   7.331   8.914
  408   2HB   ALA  51          2HB       ALA  51   9.179   6.568  10.495
  409   3HB   ALA  51          3HB       ALA  51  10.334   7.902  10.363
  410    H    ASN  52           H        ASN  52  10.404   5.508   7.111
  411    HA   ASN  52           HA       ASN  52   8.892   3.085   7.460
  412   1HB   ASN  52          2HB       ASN  52   8.514   4.488   5.543
  413   2HB   ASN  52          3HB       ASN  52  10.216   4.440   5.088
  414   1HD2  ASN  52          2HD2      ASN  52  11.130   2.385   4.312
  415   2HD2  ASN  52          1HD2      ASN  52   9.994   1.434   3.355
  416    H    ILE  53           H        ILE  53  12.297   3.689   6.736
  417    HA   ILE  53           HA       ILE  53  12.979   0.902   6.224
  418    HB   ILE  53           HB       ILE  53  14.596   3.362   6.858
  419   1HG1  ILE  53          2HG1      ILE  53  14.374   1.873   4.185
  420   2HG1  ILE  53          3HG1      ILE  53  13.300   3.195   4.610
  421   1HG2  ILE  53          1HG2      ILE  53  15.616   0.616   5.955
  422   2HG2  ILE  53          2HG2      ILE  53  16.619   2.077   6.051
  423   3HG2  ILE  53          3HG2      ILE  53  15.946   1.391   7.516
  424   1HD1  ILE  53          1HD1      ILE  53  16.309   3.412   4.263
  425   2HD1  ILE  53          2HD1      ILE  53  15.041   4.078   3.223
  426   3HD1  ILE  53          3HD1      ILE  53  15.261   4.719   4.863
  427    H    LYS  54           H        LYS  54  13.678   3.083   9.039
  428    HA   LYS  54           HA       LYS  54  14.725   1.009  10.697
  429   1HB   LYS  54          2HB       LYS  54  13.357   3.654  11.362
  430   2HB   LYS  54          3HB       LYS  54  14.191   2.636  12.552
  431   1HG   LYS  54          2HG       LYS  54  16.286   2.788  11.248
  432   2HG   LYS  54          3HG       LYS  54  15.497   3.829  10.061
  433   1HD   LYS  54          2HD       LYS  54  15.031   5.513  11.755
  434   2HD   LYS  54          3HD       LYS  54  15.779   4.512  13.023
  435   1HE   LYS  54          2HE       LYS  54  17.958   4.774  12.125
  436   2HE   LYS  54          3HE       LYS  54  17.326   5.184  10.515
  437   1HZ   LYS  54          1HZ       LYS  54  17.019   7.012  12.818
  438   2HZ   LYS  54          2HZ       LYS  54  18.137   7.162  11.572
  439   3HZ   LYS  54          3HZ       LYS  54  16.561   7.220  11.254
  440    H    LYS  55           H        LYS  55  11.657   1.201   9.617
  441    HA   LYS  55           HA       LYS  55  10.489  -0.265  11.981
  442   1HB   LYS  55          2HB       LYS  55   9.354   1.773  10.801
  443   2HB   LYS  55          3HB       LYS  55   8.795   0.597   9.622
  444   1HG   LYS  55          2HG       LYS  55   8.366   0.178  12.613
  445   2HG   LYS  55          3HG       LYS  55   7.395   1.360  11.755
  446   1HD   LYS  55          2HD       LYS  55   6.560  -0.405  10.207
  447   2HD   LYS  55          3HD       LYS  55   7.529  -1.591  11.080
  448   1HE   LYS  55          2HE       LYS  55   5.383  -1.847  12.000
  449   2HE   LYS  55          3HE       LYS  55   6.296  -0.932  13.202
  450   1HZ   LYS  55          1HZ       LYS  55   4.304   0.132  11.275
  451   2HZ   LYS  55          2HZ       LYS  55   4.125   0.050  12.872
  452   3HZ   LYS  55          3HZ       LYS  55   5.201   1.119  12.217
  453    H    ASN  56           H        ASN  56  11.646  -0.873   8.794
  454    HA   ASN  56           HA       ASN  56  10.949  -2.457   7.188
  455   1HB   ASN  56          2HB       ASN  56  12.668  -3.761   9.315
  456   2HB   ASN  56          3HB       ASN  56  12.312  -4.542   7.787
  457   1HD2  ASN  56          2HD2      ASN  56  12.517  -2.028   6.027
  458   2HD2  ASN  56          1HD2      ASN  56  14.243  -1.750   6.210
  459    H    VAL  57           H        VAL  57   8.594  -2.289   7.835
  460    HA   VAL  57           HA       VAL  57   7.452  -4.635   9.179
  461    HB   VAL  57           HB       VAL  57   6.445  -2.064   8.389
  462   1HG1  VAL  57          1HG1      VAL  57   4.679  -4.278   7.290
  463   2HG1  VAL  57          2HG1      VAL  57   4.234  -2.587   7.521
  464   3HG1  VAL  57          3HG1      VAL  57   5.482  -3.002   6.343
  465   1HG2  VAL  57          1HG2      VAL  57   6.202  -3.321  10.561
  466   2HG2  VAL  57          2HG2      VAL  57   4.632  -2.766   9.921
  467   3HG2  VAL  57          3HG2      VAL  57   5.125  -4.451   9.756
  468    H    LEU  58           H        LEU  58   7.074  -6.520   8.495
  469    HA   LEU  58           HA       LEU  58   7.411  -7.249   5.718
  470   1HB   LEU  58          2HB       LEU  58   7.766  -8.765   7.759
  471   2HB   LEU  58          3HB       LEU  58   6.000  -8.815   7.900
  472    HG   LEU  58           HG       LEU  58   5.960  -9.673   5.480
  473   1HD1  LEU  58          1HD1      LEU  58   8.927 -10.103   6.017
  474   2HD1  LEU  58          2HD1      LEU  58   8.000 -10.796   4.666
  475   3HD1  LEU  58          3HD1      LEU  58   8.237  -9.050   4.767
  476   1HD2  LEU  58          1HD2      LEU  58   5.716 -11.140   7.506
  477   2HD2  LEU  58          2HD2      LEU  58   6.521 -11.975   6.178
  478   3HD2  LEU  58          3HD2      LEU  58   7.479 -11.353   7.552
  479    H    TRP  59           H        TRP  59   6.085  -6.669   4.262
  480    HA   TRP  59           HA       TRP  59   3.387  -5.772   4.677
  481   1HB   TRP  59          2HB       TRP  59   4.912  -6.462   2.157
  482   2HB   TRP  59          3HB       TRP  59   3.315  -5.722   2.144
  483    HD1  TRP  59           HD1      TRP  59   6.579  -4.624   1.463
  484    HE1  TRP  59           HE1      TRP  59   6.775  -2.099   1.759
  485    HE3  TRP  59           HE3      TRP  59   2.577  -3.816   4.549
  486    HZ2  TRP  59           HZ2      TRP  59   5.878  -0.178   3.749
  487    HZ3  TRP  59           HZ3      TRP  59   2.234  -1.625   5.596
  488    HH2  TRP  59           HH2      TRP  59   3.908   0.226   5.245
  489    H    ASP  60           H        ASP  60   2.591  -7.527   5.830
  490    HA   ASP  60           HA       ASP  60   1.412  -9.811   4.328
  491   1HB   ASP  60          2HB       ASP  60   0.535  -9.066   7.107
  492   2HB   ASP  60          3HB       ASP  60   0.728 -10.653   6.387
  493    H    GLU  61           H        GLU  61  -1.061 -10.037   4.184
  494    HA   GLU  61           HA       GLU  61  -2.538  -7.810   3.453
  495   1HB   GLU  61          2HB       GLU  61  -3.557 -10.308   4.881
  496   2HB   GLU  61          3HB       GLU  61  -4.596  -9.052   4.238
  497   1HG   GLU  61          2HG       GLU  61  -4.698 -10.406   2.470
  498   2HG   GLU  61          3HG       GLU  61  -3.269  -9.503   1.972
  499    H    ASN  62           H        ASN  62  -2.616  -9.165   6.736
  500    HA   ASN  62           HA       ASN  62  -4.308  -7.131   7.871
  501   1HB   ASN  62          2HB       ASN  62  -4.014  -9.340   8.889
  502   2HB   ASN  62          3HB       ASN  62  -2.287  -9.040   9.155
  503   1HD2  ASN  62          2HD2      ASN  62  -1.639  -7.650  10.920
  504   2HD2  ASN  62          1HD2      ASN  62  -2.866  -7.075  12.030
  505    H    ASN  63           H        ASN  63  -0.789  -7.399   7.671
  506    HA   ASN  63           HA       ASN  63  -0.111  -5.236   9.440
  507   1HB   ASN  63          2HB       ASN  63   1.060  -7.416   8.799
  508   2HB   ASN  63          3HB       ASN  63   1.510  -6.647   7.272
  509   1HD2  ASN  63          2HD2      ASN  63   3.236  -7.713   9.170
  510   2HD2  ASN  63          1HD2      ASN  63   4.232  -6.325   9.605
  511    H    MET  64           H        MET  64  -0.236  -5.542   5.872
  512    HA   MET  64           HA       MET  64   0.389  -2.787   5.295
  513   1HB   MET  64          2HB       MET  64   0.321  -4.882   3.701
  514   2HB   MET  64          3HB       MET  64  -1.394  -4.504   3.576
  515   1HG   MET  64          2HG       MET  64  -0.821  -2.226   2.761
  516   2HG   MET  64          3HG       MET  64   0.888  -2.590   3.005
  517   1HE   MET  64          1HE       MET  64  -2.085  -2.708   0.580
  518   2HE   MET  64          2HE       MET  64  -1.767  -4.133  -0.433
  519   3HE   MET  64          3HE       MET  64  -2.249  -4.344   1.267
  520    H    SER  65           H        SER  65  -2.695  -4.480   5.941
  521    HA   SER  65           HA       SER  65  -4.437  -2.245   5.607
  522   1HB   SER  65          2HB       SER  65  -5.082  -4.679   5.880
  523   2HB   SER  65          3HB       SER  65  -4.823  -4.488   7.616
  524    HG   SER  65           HG       SER  65  -6.303  -2.737   7.551
  525    H    GLU  66           H        GLU  66  -2.416  -3.160   8.400
  526    HA   GLU  66           HA       GLU  66  -3.523  -1.235  10.237
  527   1HB   GLU  66          2HB       GLU  66  -2.126  -3.301  10.758
  528   2HB   GLU  66          3HB       GLU  66  -0.706  -2.365  10.247
  529   1HG   GLU  66          2HG       GLU  66  -1.297  -0.623  11.942
  530   2HG   GLU  66          3HG       GLU  66  -2.676  -1.608  12.448
  531    H    TYR  67           H        TYR  67  -0.568  -1.146   8.200
  532    HA   TYR  67           HA       TYR  67   0.102   1.589   8.582
  533   1HB   TYR  67          2HB       TYR  67   1.577  -0.001   7.440
  534   2HB   TYR  67          3HB       TYR  67   0.409  -0.197   6.152
  535    HD1  TYR  67           HD1      TYR  67   0.891   0.885   4.140
  536    HD2  TYR  67           HD2      TYR  67   2.093   2.677   7.858
  537    HE1  TYR  67           HE1      TYR  67   1.916   2.762   2.911
  538    HE2  TYR  67           HE2      TYR  67   3.173   4.572   6.593
  539    HH   TYR  67           HH       TYR  67   3.370   4.618   3.084
  540    H    LEU  68           H        LEU  68  -2.049   0.193   6.063
  541    HA   LEU  68           HA       LEU  68  -2.966   2.680   4.971
  542   1HB   LEU  68          2HB       LEU  68  -4.228  -0.077   5.122
  543   2HB   LEU  68          3HB       LEU  68  -4.931   1.239   4.197
  544    HG   LEU  68           HG       LEU  68  -2.104   0.217   3.673
  545   1HD1  LEU  68          1HD1      LEU  68  -4.695  -0.469   2.227
  546   2HD1  LEU  68          2HD1      LEU  68  -3.058  -0.979   1.762
  547   3HD1  LEU  68          3HD1      LEU  68  -3.778  -1.579   3.267
  548   1HD2  LEU  68          1HD2      LEU  68  -2.506   2.468   2.818
  549   2HD2  LEU  68          2HD2      LEU  68  -2.446   1.301   1.497
  550   3HD2  LEU  68          3HD2      LEU  68  -4.016   1.936   2.042
  551    H    THR  69           H        THR  69  -3.662   1.440   8.068
  552    HA   THR  69           HA       THR  69  -6.237   2.861   8.372
  553    HB   THR  69           HB       THR  69  -4.645   1.261  10.316
  554    HG1  THR  69           1HG      THR  69  -5.632   0.048   8.803
  555   1HG2  THR  69          1HG2      THR  69  -7.316   2.636  10.685
  556   2HG2  THR  69          2HG2      THR  69  -6.714   1.310  11.717
  557   3HG2  THR  69          3HG2      THR  69  -5.855   2.855  11.666
  558    H    ASN  70           H        ASN  70  -2.840   3.308   9.486
  559    HA   ASN  70           HA       ASN  70  -3.404   6.162   9.772
  560   1HB   ASN  70          2HB       ASN  70  -2.684   6.404  12.050
  561   2HB   ASN  70          3HB       ASN  70  -4.112   5.392  11.966
  562   1HD2  ASN  70          2HD2      ASN  70  -3.614   2.899  12.056
  563   2HD2  ASN  70          1HD2      ASN  70  -2.305   2.499  13.158
  564    HA   PRO  71           HA       PRO  71   0.558   4.525   8.013
  565   1HB   PRO  71          2HB       PRO  71   0.910   6.350   5.933
  566   2HB   PRO  71          3HB       PRO  71  -0.067   4.863   5.851
  567   1HG   PRO  71          2HG       PRO  71  -1.019   7.679   6.417
  568   2HG   PRO  71          3HG       PRO  71  -1.729   6.468   5.307
  569   1HD   PRO  71          2HD       PRO  71  -2.730   6.853   7.795
  570   2HD   PRO  71          3HD       PRO  71  -2.631   5.210   7.104
  571    H    LYS  72           H        LYS  72  -0.006   7.969   8.359
  572    HA   LYS  72           HA       LYS  72   2.645   8.914   8.870
  573   1HB   LYS  72          2HB       LYS  72  -0.103   9.984   9.636
  574   2HB   LYS  72          3HB       LYS  72   1.385  10.908   9.839
  575   1HG   LYS  72          2HG       LYS  72   1.782  11.080   7.511
  576   2HG   LYS  72          3HG       LYS  72   0.577   9.837   7.112
  577   1HD   LYS  72          2HD       LYS  72  -1.240  11.233   7.878
  578   2HD   LYS  72          3HD       LYS  72  -0.113  12.493   8.447
  579   1HE   LYS  72          2HE       LYS  72   0.565  13.042   6.220
  580   2HE   LYS  72          3HE       LYS  72  -0.116  11.540   5.576
  581   1HZ   LYS  72          1HZ       LYS  72  -1.811  13.705   6.696
  582   2HZ   LYS  72          2HZ       LYS  72  -1.571  13.393   5.074
  583   3HZ   LYS  72          3HZ       LYS  72  -2.275  12.273   5.976
  584    H    LYS  73           H        LYS  73   0.757   7.068  10.986
  585    HA   LYS  73           HA       LYS  73   2.414   7.969  13.315
  586   1HB   LYS  73          2HB       LYS  73   0.042   8.628  13.533
  587   2HB   LYS  73          3HB       LYS  73  -0.447   6.945  13.372
  588   1HG   LYS  73          2HG       LYS  73   0.861   6.406  15.459
  589   2HG   LYS  73          3HG       LYS  73   1.288   8.123  15.589
  590   1HD   LYS  73          2HD       LYS  73  -1.187   8.653  15.736
  591   2HD   LYS  73          3HD       LYS  73  -1.514   6.916  15.668
  592   1HE   LYS  73          2HE       LYS  73  -1.607   7.531  17.973
  593   2HE   LYS  73          3HE       LYS  73  -0.130   6.593  17.731
  594   1HZ   LYS  73          1HZ       LYS  73  -0.299   9.556  17.928
  595   2HZ   LYS  73          2HZ       LYS  73   0.314   8.554  19.071
  596   3HZ   LYS  73          3HZ       LYS  73   1.089   8.720  17.628
  597    H    TYR  74           H        TYR  74   0.971   5.167  11.664
  598    HA   TYR  74           HA       TYR  74   2.350   3.155  13.130
  599   1HB   TYR  74          2HB       TYR  74   0.467   2.935  11.407
  600   2HB   TYR  74          3HB       TYR  74   1.678   3.143  10.155
  601    HD1  TYR  74           HD1      TYR  74   1.099   1.160  13.314
  602    HD2  TYR  74           HD2      TYR  74   2.582   1.101   9.251
  603    HE1  TYR  74           HE1      TYR  74   1.565  -1.261  13.507
  604    HE2  TYR  74           HE2      TYR  74   2.856  -1.387   9.419
  605    HH   TYR  74           HH       TYR  74   1.551  -3.158  11.982
  606    H    ILE  75           H        ILE  75   3.305   5.104  10.343
  607    HA   ILE  75           HA       ILE  75   6.189   4.526  10.876
  608    HB   ILE  75           HB       ILE  75   4.888   5.475   8.318
  609   1HG1  ILE  75          2HG1      ILE  75   4.414   3.144   8.502
  610   2HG1  ILE  75          3HG1      ILE  75   5.639   3.409   7.277
  611   1HG2  ILE  75          1HG2      ILE  75   7.799   4.923   9.012
  612   2HG2  ILE  75          2HG2      ILE  75   7.182   5.213   7.365
  613   3HG2  ILE  75          3HG2      ILE  75   7.086   6.485   8.568
  614   1HD1  ILE  75          1HD1      ILE  75   6.050   2.252  10.055
  615   2HD1  ILE  75          2HD1      ILE  75   6.205   1.424   8.499
  616   3HD1  ILE  75          3HD1      ILE  75   7.386   2.657   8.964
  617    HA   PRO  76           HA       PRO  76   5.124   8.727  12.405
  618   1HB   PRO  76          2HB       PRO  76   6.934   8.927  14.443
  619   2HB   PRO  76          3HB       PRO  76   5.417   7.982  14.560
  620   1HG   PRO  76          2HG       PRO  76   8.194   6.954  13.894
  621   2HG   PRO  76          3HG       PRO  76   7.033   6.305  15.095
  622   1HD   PRO  76          2HD       PRO  76   7.267   5.254  12.596
  623   2HD   PRO  76          3HD       PRO  76   5.675   5.364  13.407
  624    H    GLY  77           H        GLY  77   5.762   9.598  10.462
  625   1HA   GLY  77          1HA       GLY  77   7.440  11.505   9.856
  626   2HA   GLY  77          2HA       GLY  77   8.651  10.232   9.966
  627    H    THR  78           H        THR  78   5.886   8.815   8.682
  628    HA   THR  78           HA       THR  78   6.927   8.239   6.165
  629    HB   THR  78           HB       THR  78   4.813   7.495   7.683
  630    HG1  THR  78           1HG      THR  78   5.131   6.887   4.951
  631   1HG2  THR  78          1HG2      THR  78   3.474   8.620   5.246
  632   2HG2  THR  78          2HG2      THR  78   2.755   7.615   6.501
  633   3HG2  THR  78          3HG2      THR  78   3.312   9.267   6.873
  634    H    LYS  79           H        LYS  79   6.524   8.904   4.066
  635    HA   LYS  79           HA       LYS  79   5.839  11.779   3.606
  636   1HB   LYS  79          2HB       LYS  79   7.230   9.599   2.054
  637   2HB   LYS  79          3HB       LYS  79   6.498  10.942   1.163
  638   1HG   LYS  79          2HG       LYS  79   7.892  12.564   2.224
  639   2HG   LYS  79          3HG       LYS  79   8.460  11.401   3.425
  640   1HD   LYS  79          2HD       LYS  79  10.184  11.764   1.700
  641   2HD   LYS  79          3HD       LYS  79   9.623  10.104   1.727
  642   1HE   LYS  79          2HE       LYS  79   9.893  10.696  -0.551
  643   2HE   LYS  79          3HE       LYS  79   8.172  10.511  -0.230
  644   1HZ   LYS  79          1HZ       LYS  79   9.623  13.092  -0.412
  645   2HZ   LYS  79          2HZ       LYS  79   8.562  12.488  -1.524
  646   3HZ   LYS  79          3HZ       LYS  79   8.026  12.943  -0.037
  647    H    MET  80           H        MET  80   4.236   8.728   3.314
  648    HA   MET  80           HA       MET  80   2.256   9.284   1.418
  649   1HB   MET  80          2HB       MET  80   2.721   7.094   2.318
  650   2HB   MET  80          3HB       MET  80   2.129   7.548   3.906
  651   1HG   MET  80          2HG       MET  80  -0.039   7.575   3.298
  652   2HG   MET  80          3HG       MET  80   0.263   7.945   1.608
  653   1HE   MET  80          1HE       MET  80  -1.934   6.183   1.570
  654   2HE   MET  80          2HE       MET  80  -1.756   4.449   1.918
  655   3HE   MET  80          3HE       MET  80  -1.696   5.623   3.244
  656    H    ALA  81           H        ALA  81   1.890  11.518   1.704
  657    HA   ALA  81           HA       ALA  81   0.614  12.743   3.800
  658   1HB   ALA  81          1HB       ALA  81   0.311  13.462   0.857
  659   2HB   ALA  81          2HB       ALA  81   0.126  14.562   2.233
  660   3HB   ALA  81          3HB       ALA  81   1.716  13.866   1.874
  661    H    PHE  82           H        PHE  82  -0.791  10.360   2.453
  662    HA   PHE  82           HA       PHE  82  -3.600  10.925   2.054
  663   1HB   PHE  82          2HB       PHE  82  -2.376   8.965   1.150
  664   2HB   PHE  82          3HB       PHE  82  -2.114   8.376   2.781
  665    HD1  PHE  82           HD1      PHE  82  -3.617   6.806   3.690
  666    HD2  PHE  82           HD2      PHE  82  -4.901   9.281   0.392
  667    HE1  PHE  82           HE1      PHE  82  -5.716   5.517   3.542
  668    HE2  PHE  82           HE2      PHE  82  -7.020   8.016   0.282
  669    HZ   PHE  82           HZ       PHE  82  -7.446   6.136   1.876
  670    H    GLY  83           H        GLY  83  -5.252   9.682   3.455
  671   1HA   GLY  83          1HA       GLY  83  -5.069  10.662   6.265
  672   2HA   GLY  83          2HA       GLY  83  -6.524  10.127   5.426
  673    H    GLY  84           H        GLY  84  -6.968   7.936   5.258
  674   1HA   GLY  84          1HA       GLY  84  -5.586   5.644   5.867
  675   2HA   GLY  84          2HA       GLY  84  -6.150   6.214   7.443
  676    H    LEU  85           H        LEU  85  -6.971   3.878   5.522
  677    HA   LEU  85           HA       LEU  85  -9.779   4.524   4.886
  678   1HB   LEU  85          2HB       LEU  85  -8.089   2.028   4.489
  679   2HB   LEU  85          3HB       LEU  85  -9.786   2.139   4.048
  680    HG   LEU  85           HG       LEU  85  -7.596   3.919   2.893
  681   1HD1  LEU  85          1HD1      LEU  85  -9.050   1.522   1.701
  682   2HD1  LEU  85          2HD1      LEU  85  -7.941   2.593   0.829
  683   3HD1  LEU  85          3HD1      LEU  85  -7.334   1.595   2.164
  684   1HD2  LEU  85          1HD2      LEU  85  -9.799   5.036   2.768
  685   2HD2  LEU  85          2HD2      LEU  85  -9.287   4.495   1.170
  686   3HD2  LEU  85          3HD2      LEU  85 -10.517   3.573   2.052
  687    H    LYS  86           H        LYS  86 -11.345   4.291   6.190
  688    HA   LYS  86           HA       LYS  86 -11.027   3.039   8.845
  689   1HB   LYS  86          2HB       LYS  86 -13.213   4.782   7.647
  690   2HB   LYS  86          3HB       LYS  86 -13.272   4.098   9.279
  691   1HG   LYS  86          2HG       LYS  86 -11.098   5.211   9.814
  692   2HG   LYS  86          3HG       LYS  86 -11.131   5.997   8.224
  693   1HD   LYS  86          2HD       LYS  86 -13.237   7.136   8.803
  694   2HD   LYS  86          3HD       LYS  86 -13.289   6.286  10.367
  695   1HE   LYS  86          2HE       LYS  86 -11.130   7.333  11.009
  696   2HE   LYS  86          3HE       LYS  86 -11.074   8.182   9.460
  697   1HZ   LYS  86          1HZ       LYS  86 -13.181   8.551  11.532
  698   2HZ   LYS  86          2HZ       LYS  86 -11.953   9.594  11.227
  699   3HZ   LYS  86          3HZ       LYS  86 -13.113   9.340  10.094
  700    H    LYS  87           H        LYS  87 -13.321   2.516   6.151
  701    HA   LYS  87           HA       LYS  87 -14.867   0.632   7.738
  702   1HB   LYS  87          2HB       LYS  87 -15.257   2.106   5.291
  703   2HB   LYS  87          3HB       LYS  87 -15.448   0.419   4.879
  704   1HG   LYS  87          2HG       LYS  87 -16.911   1.828   7.160
  705   2HG   LYS  87          3HG       LYS  87 -17.560   1.592   5.537
  706   1HD   LYS  87          2HD       LYS  87 -17.495  -0.867   5.828
  707   2HD   LYS  87          3HD       LYS  87 -16.777  -0.669   7.428
  708   1HE   LYS  87          2HE       LYS  87 -19.054  -1.158   7.765
  709   2HE   LYS  87          3HE       LYS  87 -18.782   0.522   8.228
  710   1HZ   LYS  87          1HZ       LYS  87 -19.944  -0.390   5.659
  711   2HZ   LYS  87          2HZ       LYS  87 -20.793   0.253   6.908
  712   3HZ   LYS  87          3HZ       LYS  87 -19.720   1.187   6.080
  713    H    GLU  88           H        GLU  88 -15.155  -1.500   7.451
  714    HA   GLU  88           HA       GLU  88 -12.947  -3.164   7.015
  715   1HB   GLU  88          2HB       GLU  88 -14.472  -4.974   7.361
  716   2HB   GLU  88          3HB       GLU  88 -14.975  -3.601   8.349
  717   1HG   GLU  88          2HG       GLU  88 -16.535  -3.141   6.174
  718   2HG   GLU  88          3HG       GLU  88 -16.388  -4.898   6.063
  719    H    LYS  89           H        LYS  89 -15.596  -2.542   4.692
  720    HA   LYS  89           HA       LYS  89 -14.604  -4.268   2.615
  721   1HB   LYS  89          2HB       LYS  89 -16.424  -1.846   2.614
  722   2HB   LYS  89          3HB       LYS  89 -16.183  -2.870   1.212
  723   1HG   LYS  89          2HG       LYS  89 -17.266  -3.921   3.873
  724   2HG   LYS  89          3HG       LYS  89 -18.197  -3.219   2.570
  725   1HD   LYS  89          2HD       LYS  89 -18.352  -5.547   2.107
  726   2HD   LYS  89          3HD       LYS  89 -17.058  -5.022   1.034
  727   1HE   LYS  89          2HE       LYS  89 -15.648  -5.673   3.333
  728   2HE   LYS  89          3HE       LYS  89 -16.992  -6.798   3.450
  729   1HZ   LYS  89          1HZ       LYS  89 -15.255  -6.518   1.043
  730   2HZ   LYS  89          2HZ       LYS  89 -15.065  -7.680   2.209
  731   3HZ   LYS  89          3HZ       LYS  89 -16.380  -7.682   1.273
  732    H    ASP  90           H        ASP  90 -14.411  -0.761   2.825
  733    HA   ASP  90           HA       ASP  90 -12.871  -0.141   0.599
  734   1HB   ASP  90          2HB       ASP  90 -13.066   0.975   3.411
  735   2HB   ASP  90          3HB       ASP  90 -11.862   1.590   2.313
  736    H    ARG  91           H        ARG  91 -11.664  -1.150   3.799
  737    HA   ARG  91           HA       ARG  91  -8.922  -1.708   3.027
  738   1HB   ARG  91          2HB       ARG  91 -10.684  -2.894   5.220
  739   2HB   ARG  91          3HB       ARG  91  -8.956  -3.196   5.064
  740   1HG   ARG  91          2HG       ARG  91  -8.411  -0.907   5.551
  741   2HG   ARG  91          3HG       ARG  91 -10.102  -0.397   5.421
  742   1HD   ARG  91          2HD       ARG  91 -10.701  -1.834   7.352
  743   2HD   ARG  91          3HD       ARG  91  -8.991  -2.304   7.525
  744    HE   ARG  91           HE       ARG  91  -9.089   0.513   7.521
  745   1HH1  ARG  91          1HH2      ARG  91 -10.207  -1.931   9.767
  746   2HH1  ARG  91          2HH2      ARG  91 -10.304  -0.758  11.059
  747   1HH2  ARG  91          1HH1      ARG  91  -8.962   1.731   9.128
  748   2HH2  ARG  91          2HH1      ARG  91  -9.255   1.202  10.779
  749    H    ASN  92           H        ASN  92 -11.684  -4.005   3.373
  750    HA   ASN  92           HA       ASN  92  -9.834  -6.170   2.776
  751   1HB   ASN  92          2HB       ASN  92 -12.850  -6.273   3.067
  752   2HB   ASN  92          3HB       ASN  92 -11.787  -7.668   2.967
  753   1HD2  ASN  92          2HD2      ASN  92  -9.693  -6.119   4.784
  754   2HD2  ASN  92          1HD2      ASN  92 -10.512  -6.355   6.335
  755    H    ASP  93           H        ASP  93 -12.291  -4.610   0.722
  756    HA   ASP  93           HA       ASP  93 -11.875  -6.404  -1.536
  757   1HB   ASP  93          2HB       ASP  93 -13.226  -3.703  -1.193
  758   2HB   ASP  93          3HB       ASP  93 -12.966  -4.431  -2.771
  759    H    LEU  94           H        LEU  94 -10.454  -3.238  -0.568
  760    HA   LEU  94           HA       LEU  94  -8.811  -2.982  -2.937
  761   1HB   LEU  94          2HB       LEU  94  -9.445  -1.158  -1.288
  762   2HB   LEU  94          3HB       LEU  94  -8.241  -1.845  -0.194
  763    HG   LEU  94           HG       LEU  94  -6.694  -1.536  -2.419
  764   1HD1  LEU  94          1HD1      LEU  94  -8.744   0.709  -2.598
  765   2HD1  LEU  94          2HD1      LEU  94  -7.249   0.563  -3.544
  766   3HD1  LEU  94          3HD1      LEU  94  -8.557  -0.618  -3.770
  767   1HD2  LEU  94          1HD2      LEU  94  -6.122  -0.560  -0.270
  768   2HD2  LEU  94          2HD2      LEU  94  -6.044   0.695  -1.524
  769   3HD2  LEU  94          3HD2      LEU  94  -7.433   0.637  -0.433
  770    H    ILE  95           H        ILE  95  -8.172  -4.437   0.273
  771    HA   ILE  95           HA       ILE  95  -5.500  -5.344  -0.251
  772    HB   ILE  95           HB       ILE  95  -7.680  -6.379   1.587
  773   1HG1  ILE  95          2HG1      ILE  95  -5.075  -4.991   2.365
  774   2HG1  ILE  95          3HG1      ILE  95  -6.491  -4.056   1.923
  775   1HG2  ILE  95          1HG2      ILE  95  -4.765  -7.270   1.417
  776   2HG2  ILE  95          2HG2      ILE  95  -5.847  -7.648   2.769
  777   3HG2  ILE  95          3HG2      ILE  95  -6.200  -8.286   1.172
  778   1HD1  ILE  95          1HD1      ILE  95  -6.240  -5.965   4.269
  779   2HD1  ILE  95          2HD1      ILE  95  -6.570  -4.217   4.265
  780   3HD1  ILE  95          3HD1      ILE  95  -7.805  -5.345   3.702
  781    H    THR  96           H        THR  96  -8.637  -7.057  -0.611
  782    HA   THR  96           HA       THR  96  -7.767  -9.474  -1.737
  783    HB   THR  96           HB       THR  96 -10.242  -7.920  -2.637
  784    HG1  THR  96           1HG      THR  96 -10.274  -8.328  -0.423
  785   1HG2  THR  96          1HG2      THR  96  -9.583 -10.892  -2.757
  786   2HG2  THR  96          2HG2      THR  96 -11.147 -10.168  -3.159
  787   3HG2  THR  96          3HG2      THR  96  -9.736  -9.805  -4.158
  788    H    TYR  97           H        TYR  97  -8.512  -6.489  -3.478
  789    HA   TYR  97           HA       TYR  97  -7.727  -7.176  -6.116
  790   1HB   TYR  97          2HB       TYR  97  -9.014  -5.270  -5.807
  791   2HB   TYR  97          3HB       TYR  97  -8.070  -4.703  -4.467
  792    HD1  TYR  97           HD1      TYR  97  -6.618  -2.943  -4.697
  793    HD2  TYR  97           HD2      TYR  97  -7.670  -5.282  -8.169
  794    HE1  TYR  97           HE1      TYR  97  -5.508  -1.282  -6.139
  795    HE2  TYR  97           HE2      TYR  97  -6.548  -3.586  -9.628
  796    HH   TYR  97           HH       TYR  97  -4.948  -0.731  -8.301
  797    H    LEU  98           H        LEU  98  -5.712  -5.347  -3.703
  798    HA   LEU  98           HA       LEU  98  -3.500  -5.242  -5.454
  799   1HB   LEU  98          2HB       LEU  98  -4.241  -4.543  -2.643
  800   2HB   LEU  98          3HB       LEU  98  -2.576  -4.900  -2.821
  801    HG   LEU  98           HG       LEU  98  -3.845  -2.985  -4.792
  802   1HD1  LEU  98          1HD1      LEU  98  -2.853  -2.207  -2.021
  803   2HD1  LEU  98          2HD1      LEU  98  -3.411  -1.104  -3.304
  804   3HD1  LEU  98          3HD1      LEU  98  -4.552  -2.227  -2.544
  805   1HD2  LEU  98          1HD2      LEU  98  -1.462  -3.700  -5.097
  806   2HD2  LEU  98          2HD2      LEU  98  -1.619  -1.964  -4.794
  807   3HD2  LEU  98          3HD2      LEU  98  -1.083  -3.054  -3.492
  808    H    LYS  99           H        LYS  99  -4.368  -7.672  -3.086
  809    HA   LYS  99           HA       LYS  99  -1.852  -9.128  -3.287
  810   1HB   LYS  99          2HB       LYS  99  -3.811  -9.403  -1.572
  811   2HB   LYS  99          3HB       LYS  99  -4.520 -10.480  -2.780
  812   1HG   LYS  99          2HG       LYS  99  -2.306 -11.773  -2.796
  813   2HG   LYS  99          3HG       LYS  99  -1.728 -10.670  -1.538
  814   1HD   LYS  99          2HD       LYS  99  -2.433 -12.445  -0.239
  815   2HD   LYS  99          3HD       LYS  99  -3.852 -11.409  -0.209
  816   1HE   LYS  99          2HE       LYS  99  -4.778 -13.498  -0.636
  817   2HE   LYS  99          3HE       LYS  99  -4.659 -12.810  -2.269
  818   1HZ   LYS  99          1HZ       LYS  99  -2.919 -14.883  -1.065
  819   2HZ   LYS  99          2HZ       LYS  99  -3.689 -14.879  -2.556
  820   3HZ   LYS  99          3HZ       LYS  99  -2.419 -14.024  -2.364
  821    H    LYS 100           H        LYS 100  -4.895  -9.353  -5.054
  822    HA   LYS 100           HA       LYS 100  -4.022 -11.469  -6.906
  823   1HB   LYS 100          2HB       LYS 100  -6.475 -10.444  -6.011
  824   2HB   LYS 100          3HB       LYS 100  -6.438  -9.916  -7.667
  825   1HG   LYS 100          2HG       LYS 100  -6.120 -12.807  -6.698
  826   2HG   LYS 100          3HG       LYS 100  -7.614 -12.056  -7.233
  827   1HD   LYS 100          2HD       LYS 100  -7.113 -13.096  -9.163
  828   2HD   LYS 100          3HD       LYS 100  -6.265 -11.590  -9.476
  829   1HE   LYS 100          2HE       LYS 100  -4.460 -13.345  -8.056
  830   2HE   LYS 100          3HE       LYS 100  -5.264 -14.333  -9.275
  831   1HZ   LYS 100          1HZ       LYS 100  -3.688 -11.867  -9.675
  832   2HZ   LYS 100          2HZ       LYS 100  -3.219 -13.293 -10.070
  833   3HZ   LYS 100          3HZ       LYS 100  -4.485 -12.589 -10.931
  834    H    ALA 101           H        ALA 101  -3.257  -8.338  -6.837
  835    HA   ALA 101           HA       ALA 101  -2.748  -8.089  -9.770
  836   1HB   ALA 101          1HB       ALA 101  -1.990  -6.290  -7.422
  837   2HB   ALA 101          2HB       ALA 101  -1.677  -5.961  -9.134
  838   3HB   ALA 101          3HB       ALA 101  -3.355  -6.050  -8.536
  839    H    THR 102           H        THR 102  -1.105  -8.967  -6.781
  840    HA   THR 102           HA       THR 102   1.629  -8.855  -7.913
  841    HB   THR 102           HB       THR 102   0.520  -9.534  -5.155
  842    HG1  THR 102           1HG      THR 102   0.533  -7.388  -5.552
  843   1HG2  THR 102          1HG2      THR 102   3.371  -9.593  -6.184
  844   2HG2  THR 102          2HG2      THR 102   2.964  -9.376  -4.460
  845   3HG2  THR 102          3HG2      THR 102   2.494 -10.857  -5.300
  846    H    GLU 103           H        GLU 103  -0.654 -11.262  -6.649
  847    HA   GLU 103           HA       GLU 103   0.616 -13.436  -8.247
  848   1HB   GLU 103          2HB       GLU 103  -0.613 -15.014  -6.992
  849   2HB   GLU 103          3HB       GLU 103   0.060 -13.910  -5.798
  850   1HG   GLU 103          2HG       GLU 103  -2.251 -12.701  -5.902
  851   2HG   GLU 103          3HG       GLU 103  -2.820 -14.096  -6.806
  852    HHA  HEC 104           HHA      HEC 104   4.764   3.530   1.184
  853    HHB  HEC 104           HHB      HEC 104  -0.904   0.870  -0.305
  854    HHC  HEC 104           HHC      HEC 104  -3.283   6.744  -1.545
  855    HHD  HEC 104           HHD      HEC 104   2.700   9.153  -1.129
  856   1HMA  HEC 104          1HMA      HEC 104   1.298  -0.653   1.818
  857   2HMA  HEC 104          2HMA      HEC 104   0.325  -0.730   0.341
  858   3HMA  HEC 104          3HMA      HEC 104   2.034  -1.148   0.282
  859   1HAA  HEC 104          1HAA      HEC 104   3.851  -0.327   1.371
  860   2HAA  HEC 104          2HAA      HEC 104   4.151   1.090   2.351
  861   1HBA  HEC 104          1HBA      HEC 104   6.103   0.334   1.410
  862   2HBA  HEC 104          2HBA      HEC 104   5.798   1.897   0.674
  863   1HMB  HEC 104          1HMB      HEC 104  -4.025   1.147  -0.446
  864   2HMB  HEC 104          2HMB      HEC 104  -4.006   1.428  -2.206
  865   3HMB  HEC 104          3HMB      HEC 104  -2.678   0.602  -1.452
  866    HAB  HEC 104           HAB      HEC 104  -4.835   5.382  -1.558
  867   1HBB  HEC 104          1HBB      HEC 104  -5.146   4.402   0.670
  868   2HBB  HEC 104          2HBB      HEC 104  -6.601   4.337  -0.344
  869   3HBB  HEC 104          3HBB      HEC 104  -5.630   2.872  -0.090
  870   1HMC  HEC 104          1HMC      HEC 104  -3.292   9.341  -1.295
  871   2HMC  HEC 104          2HMC      HEC 104  -2.387  10.316  -2.457
  872   3HMC  HEC 104          3HMC      HEC 104  -3.006   8.730  -2.936
  873    HAC  HEC 104           HAC      HEC 104   1.527  10.358  -2.305
  874   1HBC  HEC 104          1HBC      HEC 104   0.437  11.548  -0.511
  875   2HBC  HEC 104          2HBC      HEC 104   0.535  12.518  -1.996
  876   3HBC  HEC 104          3HBC      HEC 104  -1.008  11.787  -1.510
  877   1HMD  HEC 104          1HMD      HEC 104   5.634   8.804   0.762
  878   2HMD  HEC 104          2HMD      HEC 104   6.227   8.298  -0.823
  879   3HMD  HEC 104          3HMD      HEC 104   4.810   9.367  -0.696
  880   1HAD  HEC 104          1HAD      HEC 104   7.026   6.527   0.523
  881   2HAD  HEC 104          2HAD      HEC 104   6.594   4.851   0.291
  882   1HBD  HEC 104          1HBD      HEC 104   7.525   5.008   2.461
  883   2HBD  HEC 104          2HBD      HEC 104   5.795   4.777   2.704
  Start of MODEL   26
    1   1H    THR  -5          H1        THR  -5  -9.337 -10.286  13.538
    2   2H    THR  -5          H2        THR  -5  -8.255 -11.526  13.727
    3   3H    THR  -5          H3        THR  -5  -9.827 -11.854  13.320
    4    HA   THR  -5           HA       THR  -5  -8.045 -10.286  11.632
    5    HB   THR  -5           HB       THR  -5  -8.267 -12.375  10.106
    6    HG1  THR  -5           1HG      THR  -5  -8.517 -14.252  11.190
    7   1HG2  THR  -5          1HG2      THR  -5  -6.466 -12.499  12.570
    8   2HG2  THR  -5          2HG2      THR  -5  -6.200 -13.303  11.010
    9   3HG2  THR  -5          3HG2      THR  -5  -6.138 -11.536  11.110
   10    H    GLU  -4           H        GLU  -4  -9.081  -9.227  10.226
   11    HA   GLU  -4           HA       GLU  -4 -11.955  -9.103  10.478
   12   1HB   GLU  -4          2HB       GLU  -4  -9.821  -7.172   9.476
   13   2HB   GLU  -4          3HB       GLU  -4 -11.499  -6.753   9.765
   14   1HG   GLU  -4          2HG       GLU  -4 -10.067  -5.985  11.598
   15   2HG   GLU  -4          3HG       GLU  -4 -11.272  -7.144  12.155
   16    H    PHE  -3           H        PHE  -3 -10.061 -10.378   8.122
   17    HA   PHE  -3           HA       PHE  -3 -11.182  -9.305   5.714
   18   1HB   PHE  -3          2HB       PHE  -3  -8.926 -10.278   5.871
   19   2HB   PHE  -3          3HB       PHE  -3  -9.633 -11.871   6.119
   20    HD1  PHE  -3           HD1      PHE  -3  -9.709  -8.950   3.728
   21    HD2  PHE  -3           HD2      PHE  -3 -10.080 -13.222   4.208
   22    HE1  PHE  -3           HE1      PHE  -3  -9.823  -9.224   1.262
   23    HE2  PHE  -3           HE2      PHE  -3 -10.132 -13.489   1.737
   24    HZ   PHE  -3           HZ       PHE  -3  -9.973 -11.464   0.273
   25    H    LYS  -2           H        LYS  -2 -13.338  -9.387   5.686
   26    HA   LYS  -2           HA       LYS  -2 -14.667 -12.046   5.629
   27   1HB   LYS  -2          2HB       LYS  -2 -15.473  -9.530   6.645
   28   2HB   LYS  -2          3HB       LYS  -2 -16.463  -9.753   5.209
   29   1HG   LYS  -2          2HG       LYS  -2 -16.135 -11.744   7.506
   30   2HG   LYS  -2          3HG       LYS  -2 -17.500 -10.647   7.283
   31   1HD   LYS  -2          2HD       LYS  -2 -18.131 -11.809   5.187
   32   2HD   LYS  -2          3HD       LYS  -2 -16.723 -12.860   5.320
   33   1HE   LYS  -2          2HE       LYS  -2 -18.610 -14.102   6.085
   34   2HE   LYS  -2          3HE       LYS  -2 -17.531 -13.779   7.447
   35   1HZ   LYS  -2          1HZ       LYS  -2 -20.027 -12.297   6.828
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.822 -13.373   8.061
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.009 -11.942   8.071
   38    H    ALA  -1           H        ALA  -1 -12.914 -10.755   3.562
   39    HA   ALA  -1           HA       ALA  -1 -12.533 -10.708   1.381
   40   1HB   ALA  -1          1HB       ALA  -1 -15.078 -12.313   0.980
   41   2HB   ALA  -1          2HB       ALA  -1 -13.720 -12.161  -0.149
   42   3HB   ALA  -1          3HB       ALA  -1 -13.486 -12.991   1.398
   43    H    GLY   1           H        GLY   1 -13.468 -10.099  -0.828
   44   1HA   GLY   1          1HA       GLY   1 -15.569  -8.166  -1.007
   45   2HA   GLY   1          2HA       GLY   1 -13.945  -7.451  -1.123
   46    H    SER   2           H        SER   2 -14.321  -7.029  -3.348
   47    HA   SER   2           HA       SER   2 -14.084  -9.415  -5.194
   48   1HB   SER   2          2HB       SER   2 -16.328  -8.698  -5.442
   49   2HB   SER   2          3HB       SER   2 -15.841  -6.998  -5.600
   50    HG   SER   2           HG       SER   2 -16.222  -8.502  -7.573
   51    H    ALA   3           H        ALA   3 -12.460  -9.395  -6.599
   52    HA   ALA   3           HA       ALA   3 -10.375  -7.548  -6.284
   53   1HB   ALA   3          1HB       ALA   3 -10.808  -9.472  -8.607
   54   2HB   ALA   3          2HB       ALA   3  -9.269  -8.723  -8.126
   55   3HB   ALA   3          3HB       ALA   3 -10.064  -9.866  -7.037
   56    H    LYS   4           H        LYS   4 -13.028  -7.302  -8.560
   57    HA   LYS   4           HA       LYS   4 -11.722  -4.932  -9.781
   58   1HB   LYS   4          2HB       LYS   4 -13.989  -6.665 -10.660
   59   2HB   LYS   4          3HB       LYS   4 -14.078  -4.964 -11.116
   60   1HG   LYS   4          2HG       LYS   4 -11.564  -6.607 -11.582
   61   2HG   LYS   4          3HG       LYS   4 -12.877  -6.553 -12.761
   62   1HD   LYS   4          2HD       LYS   4 -12.539  -4.290 -13.287
   63   2HD   LYS   4          3HD       LYS   4 -11.789  -3.928 -11.745
   64   1HE   LYS   4          2HE       LYS   4 -10.036  -3.799 -13.306
   65   2HE   LYS   4          3HE       LYS   4  -9.783  -5.287 -12.397
   66   1HZ   LYS   4          1HZ       LYS   4 -10.986  -5.103 -15.112
   67   2HZ   LYS   4          2HZ       LYS   4  -9.473  -5.636 -14.766
   68   3HZ   LYS   4          3HZ       LYS   4 -10.778  -6.503 -14.272
   69    H    LYS   5           H        LYS   5 -13.716  -5.415  -7.238
   70    HA   LYS   5           HA       LYS   5 -14.736  -2.593  -7.143
   71   1HB   LYS   5          2HB       LYS   5 -14.962  -4.949  -5.235
   72   2HB   LYS   5          3HB       LYS   5 -15.092  -3.307  -4.632
   73   1HG   LYS   5          2HG       LYS   5 -16.783  -3.353  -6.897
   74   2HG   LYS   5          3HG       LYS   5 -17.076  -4.892  -6.108
   75   1HD   LYS   5          2HD       LYS   5 -17.079  -2.333  -4.444
   76   2HD   LYS   5          3HD       LYS   5 -18.417  -2.676  -5.515
   77   1HE   LYS   5          2HE       LYS   5 -19.074  -3.458  -3.398
   78   2HE   LYS   5          3HE       LYS   5 -18.801  -4.866  -4.430
   79   1HZ   LYS   5          1HZ       LYS   5 -16.909  -3.869  -2.324
   80   2HZ   LYS   5          2HZ       LYS   5 -17.828  -5.203  -2.210
   81   3HZ   LYS   5          3HZ       LYS   5 -16.561  -5.079  -3.246
   82    H    GLY   6           H        GLY   6 -12.309  -4.610  -5.417
   83   1HA   GLY   6          1HA       GLY   6 -11.010  -2.445  -4.108
   84   2HA   GLY   6          2HA       GLY   6 -10.219  -3.941  -4.587
   85    H    ALA   7           H        ALA   7 -10.449  -3.691  -7.438
   86    HA   ALA   7           HA       ALA   7  -8.459  -1.853  -8.182
   87   1HB   ALA   7          1HB       ALA   7 -10.645  -2.982  -9.961
   88   2HB   ALA   7          2HB       ALA   7  -9.046  -2.400 -10.467
   89   3HB   ALA   7          3HB       ALA   7  -9.181  -3.871  -9.489
   90    H    THR   8           H        THR   8 -12.085  -1.370  -8.638
   91    HA   THR   8           HA       THR   8 -11.678   1.209  -9.901
   92    HB   THR   8           HB       THR   8 -14.106   1.601  -9.318
   93    HG1  THR   8           1HG      THR   8 -15.229  -0.231  -8.620
   94   1HG2  THR   8          1HG2      THR   8 -13.465  -0.988 -10.786
   95   2HG2  THR   8          2HG2      THR   8 -14.963  -0.044 -10.923
   96   3HG2  THR   8          3HG2      THR   8 -13.431   0.644 -11.489
   97    H    LEU   9           H        LEU   9 -12.036   0.244  -6.505
   98    HA   LEU   9           HA       LEU   9 -12.254   2.870  -5.455
   99   1HB   LEU   9          2HB       LEU   9 -12.997   0.690  -4.431
  100   2HB   LEU   9          3HB       LEU   9 -11.315   0.290  -4.104
  101    HG   LEU   9           HG       LEU   9 -12.047   3.004  -3.236
  102   1HD1  LEU   9          1HD1      LEU   9 -13.510   0.694  -1.918
  103   2HD1  LEU   9          2HD1      LEU   9 -13.451   2.360  -1.313
  104   3HD1  LEU   9          3HD1      LEU   9 -14.250   2.012  -2.857
  105   1HD2  LEU   9          1HD2      LEU   9  -9.989   1.817  -2.475
  106   2HD2  LEU   9          2HD2      LEU   9 -11.020   2.297  -1.103
  107   3HD2  LEU   9          3HD2      LEU   9 -11.004   0.618  -1.653
  108    H    PHE  10           H        PHE  10  -9.412   0.599  -5.554
  109    HA   PHE  10           HA       PHE  10  -7.324   2.241  -4.811
  110   1HB   PHE  10          2HB       PHE  10  -7.102  -0.098  -5.446
  111   2HB   PHE  10          3HB       PHE  10  -7.537   0.254  -7.099
  112    HD1  PHE  10           HD1      PHE  10  -5.902   0.845  -8.706
  113    HD2  PHE  10           HD2      PHE  10  -4.900   0.770  -4.518
  114    HE1  PHE  10           HE1      PHE  10  -3.482   0.985  -9.275
  115    HE2  PHE  10           HE2      PHE  10  -2.502   1.011  -5.081
  116    HZ   PHE  10           HZ       PHE  10  -1.779   1.124  -7.461
  117    H    LYS  11           H        LYS  11  -8.991   2.312  -7.927
  118    HA   LYS  11           HA       LYS  11  -7.161   3.914  -9.409
  119   1HB   LYS  11          2HB       LYS  11  -9.114   2.551 -10.287
  120   2HB   LYS  11          3HB       LYS  11 -10.174   3.876  -9.785
  121   1HG   LYS  11          2HG       LYS  11  -8.849   5.421 -11.279
  122   2HG   LYS  11          3HG       LYS  11  -7.915   4.012 -11.825
  123   1HD   LYS  11          2HD       LYS  11  -9.980   2.972 -12.690
  124   2HD   LYS  11          3HD       LYS  11 -10.934   4.348 -12.077
  125   1HE   LYS  11          2HE       LYS  11  -9.551   5.887 -13.502
  126   2HE   LYS  11          3HE       LYS  11  -8.722   4.482 -14.182
  127   1HZ   LYS  11          1HZ       LYS  11 -11.642   5.002 -14.378
  128   2HZ   LYS  11          2HZ       LYS  11 -10.558   5.225 -15.591
  129   3HZ   LYS  11          3HZ       LYS  11 -10.865   3.710 -15.032
  130    H    THR  12           H        THR  12  -9.730   4.989  -7.217
  131    HA   THR  12           HA       THR  12  -8.809   7.823  -7.537
  132    HB   THR  12           HB       THR  12 -11.129   8.487  -6.919
  133    HG1  THR  12           1HG      THR  12 -12.713   6.928  -7.149
  134   1HG2  THR  12          1HG2      THR  12 -10.952   6.788  -9.440
  135   2HG2  THR  12          2HG2      THR  12 -12.101   8.102  -9.117
  136   3HG2  THR  12          3HG2      THR  12 -10.375   8.463  -9.288
  137    H    ARG  13           H        ARG  13  -7.891   5.720  -5.709
  138    HA   ARG  13           HA       ARG  13  -8.006   7.335  -3.168
  139   1HB   ARG  13          2HB       ARG  13  -7.925   4.313  -3.551
  140   2HB   ARG  13          3HB       ARG  13  -7.510   5.071  -2.027
  141   1HG   ARG  13          2HG       ARG  13 -10.234   5.515  -3.320
  142   2HG   ARG  13          3HG       ARG  13  -9.849   4.110  -2.333
  143   1HD   ARG  13          2HD       ARG  13  -9.062   5.775  -0.525
  144   2HD   ARG  13          3HD       ARG  13  -9.919   7.000  -1.463
  145    HE   ARG  13           HE       ARG  13 -11.134   4.596  -0.103
  146   1HH1  ARG  13          1HH2      ARG  13 -11.812   7.549  -1.853
  147   2HH1  ARG  13          2HH2      ARG  13 -13.432   7.624  -1.217
  148   1HH2  ARG  13          1HH1      ARG  13 -13.110   4.632   0.517
  149   2HH2  ARG  13          2HH1      ARG  13 -14.241   5.801  -0.094
  150    H    CYS  14           H        CYS  14  -6.045   4.852  -4.840
  151    HA   CYS  14           HA       CYS  14  -3.618   5.831  -3.415
  152   1HB   CYS  14          2HB       CYS  14  -4.076   3.168  -4.701
  153   2HB   CYS  14          3HB       CYS  14  -2.908   3.551  -3.457
  154    H    LEU  15           H        LEU  15  -4.870   4.741  -6.590
  155    HA   LEU  15           HA       LEU  15  -2.503   4.534  -7.996
  156   1HB   LEU  15          2HB       LEU  15  -4.681   3.741  -8.764
  157   2HB   LEU  15          3HB       LEU  15  -5.214   5.408  -8.992
  158    HG   LEU  15           HG       LEU  15  -3.485   5.734 -10.726
  159   1HD1  LEU  15          1HD1      LEU  15  -2.924   2.755 -10.475
  160   2HD1  LEU  15          2HD1      LEU  15  -2.292   3.845 -11.717
  161   3HD1  LEU  15          3HD1      LEU  15  -1.791   4.061 -10.039
  162   1HD2  LEU  15          1HD2      LEU  15  -5.760   5.016 -11.329
  163   2HD2  LEU  15          2HD2      LEU  15  -4.556   4.383 -12.463
  164   3HD2  LEU  15          3HD2      LEU  15  -5.251   3.309 -11.230
  165    H    GLN  16           H        GLN  16  -4.101   7.537  -7.111
  166    HA   GLN  16           HA       GLN  16  -2.776   9.358  -8.783
  167   1HB   GLN  16          2HB       GLN  16  -3.102  11.014  -7.033
  168   2HB   GLN  16          3HB       GLN  16  -4.542  10.058  -7.345
  169   1HG   GLN  16          2HG       GLN  16  -4.068   8.702  -5.284
  170   2HG   GLN  16          3HG       GLN  16  -2.683   9.754  -4.953
  171   1HE2  GLN  16          2HE2      GLN  16  -5.343   9.305  -3.371
  172   2HE2  GLN  16          1HE2      GLN  16  -5.807  11.015  -3.212
  173    H    CYS  17           H        CYS  17  -1.380   7.682  -5.907
  174    HA   CYS  17           HA       CYS  17   1.142   9.236  -6.300
  175   1HB   CYS  17          2HB       CYS  17   0.068   7.662  -3.961
  176   2HB   CYS  17          3HB       CYS  17   1.658   8.393  -4.012
  177    H    HIS  18           H        HIS  18  -0.111   6.074  -6.735
  178    HA   HIS  18           HA       HIS  18   2.585   4.773  -6.742
  179   1HB   HIS  18          1HB       HIS  18  -0.212   3.860  -5.912
  180   2HB   HIS  18          2HB       HIS  18   1.072   2.722  -6.221
  181    HD1  HIS  18           HD1      HIS  18   3.463   3.327  -4.743
  182    HD2  HIS  18           HD2      HIS  18  -0.327   4.527  -3.357
  183    HE1  HIS  18           HE1      HIS  18   3.704   3.726  -2.247
  184    H    THR  19           H        THR  19   2.323   2.560  -7.930
  185    HA   THR  19           HA       THR  19   0.529   2.534 -10.315
  186    HB   THR  19           HB       THR  19   2.206   1.363 -11.601
  187    HG1  THR  19           1HG      THR  19   3.662   0.544 -10.266
  188   1HG2  THR  19          1HG2      THR  19   3.261   4.060 -10.677
  189   2HG2  THR  19          2HG2      THR  19   3.611   3.252 -12.207
  190   3HG2  THR  19          3HG2      THR  19   1.965   3.820 -11.874
  191    H    VAL  20           H        VAL  20   0.163   0.339 -11.034
  192    HA   VAL  20           HA       VAL  20   0.535  -1.717  -8.903
  193    HB   VAL  20           HB       VAL  20  -1.813  -1.187  -9.171
  194   1HG1  VAL  20          1HG1      VAL  20  -1.668  -2.180 -12.044
  195   2HG1  VAL  20          2HG1      VAL  20  -3.102  -1.688 -11.160
  196   3HG1  VAL  20          3HG1      VAL  20  -1.885  -0.477 -11.570
  197   1HG2  VAL  20          1HG2      VAL  20  -1.127  -3.478  -8.589
  198   2HG2  VAL  20          2HG2      VAL  20  -2.647  -3.455  -9.506
  199   3HG2  VAL  20          3HG2      VAL  20  -1.141  -3.924 -10.309
  200    H    GLU  21           H        GLU  21   0.513  -1.095 -12.389
  201    HA   GLU  21           HA       GLU  21   1.080  -3.744 -13.107
  202   1HB   GLU  21          2HB       GLU  21   1.886  -1.371 -14.786
  203   2HB   GLU  21          3HB       GLU  21   1.527  -2.978 -15.359
  204   1HG   GLU  21          2HG       GLU  21  -0.498  -1.051 -14.158
  205   2HG   GLU  21          3HG       GLU  21  -0.301  -1.440 -15.864
  206    H    LYS  22           H        LYS  22   2.806  -4.669 -14.328
  207    HA   LYS  22           HA       LYS  22   5.327  -4.475 -13.001
  208   1HB   LYS  22          2HB       LYS  22   4.183  -6.532 -13.885
  209   2HB   LYS  22          3HB       LYS  22   4.794  -6.082 -15.492
  210   1HG   LYS  22          2HG       LYS  22   7.001  -6.410 -14.877
  211   2HG   LYS  22          3HG       LYS  22   6.784  -5.899 -13.231
  212   1HD   LYS  22          2HD       LYS  22   5.479  -8.032 -12.759
  213   2HD   LYS  22          3HD       LYS  22   5.937  -8.549 -14.380
  214   1HE   LYS  22          2HE       LYS  22   7.640  -9.463 -12.887
  215   2HE   LYS  22          3HE       LYS  22   8.383  -8.041 -13.641
  216   1HZ   LYS  22          1HZ       LYS  22   7.260  -8.232 -10.901
  217   2HZ   LYS  22          2HZ       LYS  22   8.794  -7.793 -11.329
  218   3HZ   LYS  22          3HZ       LYS  22   7.500  -6.802 -11.576
  219    H    GLY  23           H        GLY  23   6.882  -3.137 -13.305
  220   1HA   GLY  23          1HA       GLY  23   8.413  -1.728 -14.433
  221   2HA   GLY  23          2HA       GLY  23   7.565  -1.996 -15.957
  222    H    GLY  24           H        GLY  24   5.183  -1.338 -13.671
  223   1HA   GLY  24          1HA       GLY  24   4.448   1.266 -14.352
  224   2HA   GLY  24          2HA       GLY  24   4.147   0.487 -12.797
  225    HA   PRO  25           HA       PRO  25   8.202   3.123 -12.675
  226   1HB   PRO  25          2HB       PRO  25   7.831   5.748 -13.395
  227   2HB   PRO  25          3HB       PRO  25   8.281   4.457 -14.555
  228   1HG   PRO  25          2HG       PRO  25   5.509   5.544 -13.964
  229   2HG   PRO  25          3HG       PRO  25   6.281   5.292 -15.565
  230   1HD   PRO  25          2HD       PRO  25   4.576   3.464 -14.505
  231   2HD   PRO  25          3HD       PRO  25   6.028   2.943 -15.416
  232    H    HIS  26           H        HIS  26   8.792   4.039 -10.803
  233    HA   HIS  26           HA       HIS  26   6.933   4.626  -8.702
  234   1HB   HIS  26          2HB       HIS  26   9.789   5.601  -8.973
  235   2HB   HIS  26          3HB       HIS  26   8.853   5.343  -7.495
  236    HD1  HIS  26           HD1      HIS  26   7.950   2.243  -8.302
  237    HD2  HIS  26           HD2      HIS  26  11.778   3.999  -8.404
  238    HE1  HIS  26           HE1      HIS  26   9.656   0.382  -7.811
  239    H    LYS  27           H        LYS  27   6.463   6.593  -7.748
  240    HA   LYS  27           HA       LYS  27   6.616   9.063  -9.442
  241   1HB   LYS  27          2HB       LYS  27   4.647   7.460  -9.908
  242   2HB   LYS  27          3HB       LYS  27   4.043   7.877  -8.317
  243   1HG   LYS  27          2HG       LYS  27   4.223  10.373  -9.258
  244   2HG   LYS  27          3HG       LYS  27   4.302   9.563 -10.826
  245   1HD   LYS  27          2HD       LYS  27   2.090   9.478  -8.751
  246   2HD   LYS  27          3HD       LYS  27   1.994  10.122 -10.394
  247   1HE   LYS  27          2HE       LYS  27   2.253   7.781 -11.293
  248   2HE   LYS  27          3HE       LYS  27   2.359   7.179  -9.636
  249   1HZ   LYS  27          1HZ       LYS  27  -0.010   8.314 -10.955
  250   2HZ   LYS  27          2HZ       LYS  27   0.116   6.921 -10.066
  251   3HZ   LYS  27          3HZ       LYS  27   0.125   8.368  -9.336
  252    H    VAL  28           H        VAL  28   4.253   9.450  -7.172
  253    HA   VAL  28           HA       VAL  28   5.779  11.021  -5.252
  254    HB   VAL  28           HB       VAL  28   3.013   9.817  -4.910
  255   1HG1  VAL  28          1HG1      VAL  28   4.321  12.255  -3.639
  256   2HG1  VAL  28          2HG1      VAL  28   2.639  11.745  -3.397
  257   3HG1  VAL  28          3HG1      VAL  28   3.955  10.725  -2.815
  258   1HG2  VAL  28          1HG2      VAL  28   2.973  11.140  -6.976
  259   2HG2  VAL  28          2HG2      VAL  28   2.111  11.986  -5.694
  260   3HG2  VAL  28          3HG2      VAL  28   3.754  12.496  -6.132
  261    H    GLY  29           H        GLY  29   4.489   7.716  -5.316
  262   1HA   GLY  29          1HA       GLY  29   6.546   6.876  -3.344
  263   2HA   GLY  29          2HA       GLY  29   4.901   6.218  -3.270
  264    HA   PRO  30           HA       PRO  30   7.651   3.750  -6.171
  265   1HB   PRO  30          2HB       PRO  30   7.928   1.437  -4.786
  266   2HB   PRO  30          3HB       PRO  30   8.845   2.907  -4.364
  267   1HG   PRO  30          2HG       PRO  30   6.275   1.871  -3.125
  268   2HG   PRO  30          3HG       PRO  30   7.788   2.392  -2.311
  269   1HD   PRO  30          2HD       PRO  30   5.647   4.061  -2.635
  270   2HD   PRO  30          3HD       PRO  30   7.319   4.647  -2.629
  271    H    ASN  31           H        ASN  31   7.184   1.039  -6.500
  272    HA   ASN  31           HA       ASN  31   4.457   0.872  -7.675
  273   1HB   ASN  31          2HB       ASN  31   6.685   0.271  -8.881
  274   2HB   ASN  31          3HB       ASN  31   6.710  -1.167  -7.861
  275   1HD2  ASN  31          2HD2      ASN  31   6.210  -0.462 -10.914
  276   2HD2  ASN  31          1HD2      ASN  31   4.835  -1.533 -11.241
  277    H    LEU  32           H        LEU  32   3.262  -1.266  -7.252
  278    HA   LEU  32           HA       LEU  32   3.610  -2.168  -4.425
  279   1HB   LEU  32          2HB       LEU  32   1.059  -1.570  -5.952
  280   2HB   LEU  32          3HB       LEU  32   1.148  -2.279  -4.346
  281    HG   LEU  32           HG       LEU  32   2.114   0.510  -5.090
  282   1HD1  LEU  32          1HD1      LEU  32  -0.315  -0.431  -3.497
  283   2HD1  LEU  32          2HD1      LEU  32   0.176   1.258  -3.734
  284   3HD1  LEU  32          3HD1      LEU  32  -0.326   0.285  -5.129
  285   1HD2  LEU  32          1HD2      LEU  32   3.424  -0.301  -3.189
  286   2HD2  LEU  32          2HD2      LEU  32   2.233   0.853  -2.593
  287   3HD2  LEU  32          3HD2      LEU  32   1.956  -0.888  -2.379
  288    H    HIS  33           H        HIS  33   3.161  -3.451  -7.720
  289    HA   HIS  33           HA       HIS  33   2.204  -6.055  -6.804
  290   1HB   HIS  33          2HB       HIS  33   2.547  -6.899  -8.899
  291   2HB   HIS  33          3HB       HIS  33   1.921  -5.292  -9.139
  292    HD1  HIS  33           HD1      HIS  33   4.069  -3.430  -9.789
  293    HD2  HIS  33           HD2      HIS  33   4.707  -7.573 -10.064
  294    HE1  HIS  33           HE1      HIS  33   6.345  -3.729 -10.890
  295    H    GLY  34           H        GLY  34   3.248  -6.973  -5.321
  296   1HA   GLY  34          1HA       GLY  34   5.103  -8.671  -5.058
  297   2HA   GLY  34          2HA       GLY  34   6.227  -7.378  -5.434
  298    H    ILE  35           H        ILE  35   3.922  -5.903  -3.303
  299    HA   ILE  35           HA       ILE  35   5.917  -5.926  -1.280
  300    HB   ILE  35           HB       ILE  35   4.556  -4.565  -0.003
  301   1HG1  ILE  35          2HG1      ILE  35   2.355  -5.708  -0.198
  302   2HG1  ILE  35          3HG1      ILE  35   2.362  -3.962  -0.221
  303   1HG2  ILE  35          1HG2      ILE  35   4.330  -3.790  -2.915
  304   2HG2  ILE  35          2HG2      ILE  35   4.161  -2.693  -1.535
  305   3HG2  ILE  35          3HG2      ILE  35   5.697  -3.519  -1.829
  306   1HD1  ILE  35          1HD1      ILE  35   1.966  -5.657  -2.685
  307   2HD1  ILE  35          2HD1      ILE  35   0.703  -4.844  -1.744
  308   3HD1  ILE  35          3HD1      ILE  35   1.902  -3.868  -2.573
  309    H    PHE  36           H        PHE  36   3.154  -7.954  -1.707
  310    HA   PHE  36           HA       PHE  36   3.124  -9.264   0.881
  311   1HB   PHE  36          2HB       PHE  36   2.109 -10.070  -1.872
  312   2HB   PHE  36          3HB       PHE  36   1.910 -11.046  -0.429
  313    HD1  PHE  36           HD1      PHE  36   0.083 -10.706   1.033
  314    HD2  PHE  36           HD2      PHE  36   1.101  -7.618  -1.790
  315    HE1  PHE  36           HE1      PHE  36  -1.882  -9.411   1.721
  316    HE2  PHE  36           HE2      PHE  36  -0.838  -6.287  -1.047
  317    HZ   PHE  36           HZ       PHE  36  -2.284  -7.102   0.779
  318    H    GLY  37           H        GLY  37   5.088  -9.899   1.530
  319   1HA   GLY  37          1HA       GLY  37   6.821 -11.685   1.498
  320   2HA   GLY  37          2HA       GLY  37   6.796 -11.634  -0.263
  321    H    ARG  38           H        ARG  38   6.598  -8.531   1.155
  322    HA   ARG  38           HA       ARG  38   9.531  -8.053   1.175
  323   1HB   ARG  38          2HB       ARG  38   7.753  -7.208  -0.875
  324   2HB   ARG  38          3HB       ARG  38   7.934  -5.786   0.119
  325   1HG   ARG  38          2HG       ARG  38   9.666  -5.561  -1.417
  326   2HG   ARG  38          3HG       ARG  38  10.474  -6.255   0.004
  327   1HD   ARG  38          2HD       ARG  38   9.655  -8.540  -1.326
  328   2HD   ARG  38          3HD       ARG  38   9.862  -7.420  -2.658
  329    HE   ARG  38           HE       ARG  38  12.188  -7.204  -2.112
  330   1HH1  ARG  38          1HH2      ARG  38  10.650  -9.576   0.013
  331   2HH1  ARG  38          2HH2      ARG  38  12.169 -10.136   0.621
  332   1HH2  ARG  38          1HH1      ARG  38  14.059  -7.925  -1.229
  333   2HH2  ARG  38          2HH1      ARG  38  14.059  -9.111   0.047
  334    H    HIS  39           H        HIS  39   9.975  -5.779   1.890
  335    HA   HIS  39           HA       HIS  39   8.629  -5.394   4.533
  336   1HB   HIS  39          2HB       HIS  39  11.536  -4.834   3.845
  337   2HB   HIS  39          3HB       HIS  39  10.779  -4.715   5.415
  338    HD1  HIS  39           HD1      HIS  39  12.079  -7.296   2.964
  339    HD2  HIS  39           HD2      HIS  39  10.419  -6.942   6.803
  340    HE1  HIS  39           HE1      HIS  39  12.290  -9.642   4.082
  341    H    SER  40           H        SER  40   8.244  -3.222   5.140
  342    HA   SER  40           HA       SER  40   7.984  -1.223   3.325
  343   1HB   SER  40          2HB       SER  40   7.774   0.397   5.038
  344   2HB   SER  40          3HB       SER  40   7.067  -1.134   5.574
  345    HG   SER  40           HG       SER  40   9.434   0.147   6.403
  346    H    GLY  41           H        GLY  41   9.175  -0.303   1.976
  347   1HA   GLY  41          1HA       GLY  41  10.916   1.237   1.314
  348   2HA   GLY  41          2HA       GLY  41  11.915   0.711   2.652
  349    H    GLN  42           H        GLN  42  10.324  -1.368   0.145
  350    HA   GLN  42           HA       GLN  42  13.049  -2.128  -0.824
  351   1HB   GLN  42          2HB       GLN  42  10.993  -4.072   0.248
  352   2HB   GLN  42          3HB       GLN  42  12.443  -4.538  -0.645
  353   1HG   GLN  42          2HG       GLN  42  13.772  -3.211   1.095
  354   2HG   GLN  42          3HG       GLN  42  12.311  -3.246   2.088
  355   1HE2  GLN  42          2HE2      GLN  42  14.806  -4.431   2.895
  356   2HE2  GLN  42          1HE2      GLN  42  14.488  -6.158   3.020
  357    H    ALA  43           H        ALA  43  10.694  -0.691  -2.244
  358    HA   ALA  43           HA       ALA  43  10.587  -2.361  -4.662
  359   1HB   ALA  43          1HB       ALA  43  10.176   0.630  -4.459
  360   2HB   ALA  43          2HB       ALA  43   9.583  -0.485  -5.707
  361   3HB   ALA  43          3HB       ALA  43   8.904  -0.568  -4.072
  362    H    GLU  44           H        GLU  44  11.445  -0.840  -6.694
  363    HA   GLU  44           HA       GLU  44  14.105  -1.756  -6.744
  364   1HB   GLU  44          2HB       GLU  44  12.355  -0.316  -8.754
  365   2HB   GLU  44          3HB       GLU  44  13.931  -1.015  -9.152
  366   1HG   GLU  44          2HG       GLU  44  13.219  -3.213  -8.819
  367   2HG   GLU  44          3HG       GLU  44  11.894  -2.781  -7.760
  368    H    GLY  45           H        GLY  45  14.809  -0.248  -4.942
  369   1HA   GLY  45          1HA       GLY  45  16.721   1.033  -4.449
  370   2HA   GLY  45          2HA       GLY  45  16.850   1.475  -6.147
  371    H    TYR  46           H        TYR  46  13.817   2.305  -5.379
  372    HA   TYR  46           HA       TYR  46  14.003   4.995  -5.817
  373   1HB   TYR  46          2HB       TYR  46  12.078   3.739  -6.129
  374   2HB   TYR  46          3HB       TYR  46  11.841   3.444  -4.445
  375    HD1  TYR  46           HD1      TYR  46  11.362   5.891  -7.178
  376    HD2  TYR  46           HD2      TYR  46  11.428   5.364  -2.958
  377    HE1  TYR  46           HE1      TYR  46   9.841   7.866  -6.939
  378    HE2  TYR  46           HE2      TYR  46   9.875   7.291  -2.651
  379    HH   TYR  46           HH       TYR  46   8.489   9.045  -5.497
  380    H    SER  47           H        SER  47  14.573   3.709  -2.703
  381    HA   SER  47           HA       SER  47  15.093   4.605  -0.684
  382   1HB   SER  47          2HB       SER  47  15.895   7.055  -2.263
  383   2HB   SER  47          3HB       SER  47  16.302   6.718  -0.570
  384    HG   SER  47           HG       SER  47  16.990   5.183  -2.861
  385    H    TYR  48           H        TYR  48  14.381   5.794   1.092
  386    HA   TYR  48           HA       TYR  48  11.596   6.803   0.733
  387   1HB   TYR  48          2HB       TYR  48  12.636   4.471   2.403
  388   2HB   TYR  48          3HB       TYR  48  11.035   5.161   2.577
  389    HD1  TYR  48           HD1      TYR  48   9.247   4.274   1.392
  390    HD2  TYR  48           HD2      TYR  48  13.258   3.472   0.020
  391    HE1  TYR  48           HE1      TYR  48   8.376   2.590  -0.198
  392    HE2  TYR  48           HE2      TYR  48  12.290   1.941  -1.749
  393    HH   TYR  48           HH       TYR  48   9.136   0.690  -1.531
  394    H    THR  49           H        THR  49  10.733   7.463   3.015
  395    HA   THR  49           HA       THR  49  12.557   9.161   4.492
  396    HB   THR  49           HB       THR  49  10.742   9.101   6.268
  397    HG1  THR  49           1HG      THR  49   9.353   7.697   4.216
  398   1HG2  THR  49          1HG2      THR  49   9.899   9.828   3.438
  399   2HG2  THR  49          2HG2      THR  49   9.149  10.412   4.944
  400   3HG2  THR  49          3HG2      THR  49  10.813  10.860   4.558
  401    H    ASP  50           H        ASP  50  13.731   8.798   6.280
  402    HA   ASP  50           HA       ASP  50  14.812   6.357   6.935
  403   1HB   ASP  50          2HB       ASP  50  15.717   8.541   7.568
  404   2HB   ASP  50          3HB       ASP  50  14.372   8.794   8.705
  405    H    ALA  51           H        ALA  51  12.015   7.843   8.571
  406    HA   ALA  51           HA       ALA  51  11.503   5.869  10.500
  407   1HB   ALA  51          1HB       ALA  51   9.532   7.647   8.996
  408   2HB   ALA  51          2HB       ALA  51   9.226   6.822  10.541
  409   3HB   ALA  51          3HB       ALA  51  10.448   8.097  10.450
  410    H    ASN  52           H        ASN  52  10.513   5.864   7.029
  411    HA   ASN  52           HA       ASN  52   8.850   3.489   7.291
  412   1HB   ASN  52          2HB       ASN  52   8.483   5.175   5.530
  413   2HB   ASN  52          3HB       ASN  52  10.073   4.852   4.849
  414   1HD2  ASN  52          2HD2      ASN  52  10.334   2.969   3.489
  415   2HD2  ASN  52          1HD2      ASN  52   8.940   1.947   3.176
  416    H    ILE  53           H        ILE  53  12.200   4.096   6.367
  417    HA   ILE  53           HA       ILE  53  12.955   1.387   5.709
  418    HB   ILE  53           HB       ILE  53  14.586   3.674   6.804
  419   1HG1  ILE  53          2HG1      ILE  53  14.351   2.662   3.923
  420   2HG1  ILE  53          3HG1      ILE  53  13.430   4.018   4.555
  421   1HG2  ILE  53          1HG2      ILE  53  15.560   1.096   5.487
  422   2HG2  ILE  53          2HG2      ILE  53  16.591   2.467   5.951
  423   3HG2  ILE  53          3HG2      ILE  53  15.781   1.535   7.194
  424   1HD1  ILE  53          1HD1      ILE  53  16.448   3.931   4.244
  425   2HD1  ILE  53          2HD1      ILE  53  15.284   4.896   3.326
  426   3HD1  ILE  53          3HD1      ILE  53  15.548   5.242   5.046
  427    H    LYS  54           H        LYS  54  13.570   3.236   8.739
  428    HA   LYS  54           HA       LYS  54  14.222   0.939  10.345
  429   1HB   LYS  54          2HB       LYS  54  13.370   3.763  11.121
  430   2HB   LYS  54          3HB       LYS  54  14.002   2.547  12.244
  431   1HG   LYS  54          2HG       LYS  54  16.094   2.384  10.865
  432   2HG   LYS  54          3HG       LYS  54  15.486   3.712   9.862
  433   1HD   LYS  54          2HD       LYS  54  15.294   5.113  11.938
  434   2HD   LYS  54          3HD       LYS  54  16.126   3.831  12.844
  435   1HE   LYS  54          2HE       LYS  54  18.180   4.216  11.777
  436   2HE   LYS  54          3HE       LYS  54  17.378   4.717  10.272
  437   1HZ   LYS  54          1HZ       LYS  54  17.598   6.462  12.653
  438   2HZ   LYS  54          2HZ       LYS  54  18.275   6.651  11.109
  439   3HZ   LYS  54          3HZ       LYS  54  16.701   6.721  11.295
  440    H    LYS  55           H        LYS  55  11.434   1.188   8.972
  441    HA   LYS  55           HA       LYS  55  10.015  -0.177  11.262
  442   1HB   LYS  55          2HB       LYS  55   8.868   1.826   9.876
  443   2HB   LYS  55          3HB       LYS  55   8.543   0.536   8.743
  444   1HG   LYS  55          2HG       LYS  55   6.640   0.489   9.993
  445   2HG   LYS  55          3HG       LYS  55   7.565  -0.725  10.863
  446   1HD   LYS  55          2HD       LYS  55   7.259   2.224  11.668
  447   2HD   LYS  55          3HD       LYS  55   6.322   0.887  12.299
  448   1HE   LYS  55          2HE       LYS  55   7.798   1.125  13.989
  449   2HE   LYS  55          3HE       LYS  55   8.583  -0.145  13.043
  450   1HZ   LYS  55          1HZ       LYS  55   9.268   2.757  12.927
  451   2HZ   LYS  55          2HZ       LYS  55  10.157   1.599  13.698
  452   3HZ   LYS  55          3HZ       LYS  55  10.040   1.568  12.093
  453    H    ASN  56           H        ASN  56  11.273  -0.732   8.037
  454    HA   ASN  56           HA       ASN  56  10.781  -2.495   6.540
  455   1HB   ASN  56          2HB       ASN  56  12.513  -3.531   8.786
  456   2HB   ASN  56          3HB       ASN  56  12.250  -4.428   7.305
  457   1HD2  ASN  56          2HD2      ASN  56  12.302  -1.827   5.500
  458   2HD2  ASN  56          1HD2      ASN  56  14.030  -1.569   5.592
  459    H    VAL  57           H        VAL  57   8.442  -2.194   7.464
  460    HA   VAL  57           HA       VAL  57   7.387  -4.552   8.798
  461    HB   VAL  57           HB       VAL  57   6.577  -1.868   8.501
  462   1HG1  VAL  57          1HG1      VAL  57   4.438  -3.613   7.248
  463   2HG1  VAL  57          2HG1      VAL  57   4.241  -1.950   7.828
  464   3HG1  VAL  57          3HG1      VAL  57   5.334  -2.298   6.484
  465   1HG2  VAL  57          1HG2      VAL  57   6.415  -3.083  10.524
  466   2HG2  VAL  57          2HG2      VAL  57   4.767  -2.607  10.078
  467   3HG2  VAL  57          3HG2      VAL  57   5.323  -4.282   9.831
  468    H    LEU  58           H        LEU  58   6.519  -6.286   8.182
  469    HA   LEU  58           HA       LEU  58   6.719  -7.001   5.410
  470   1HB   LEU  58          2HB       LEU  58   6.832  -8.391   7.774
  471   2HB   LEU  58          3HB       LEU  58   5.238  -8.833   7.190
  472    HG   LEU  58           HG       LEU  58   7.855  -9.049   5.615
  473   1HD1  LEU  58          1HD1      LEU  58   6.216 -11.228   6.956
  474   2HD1  LEU  58          2HD1      LEU  58   7.704 -11.461   6.007
  475   3HD1  LEU  58          3HD1      LEU  58   7.767 -10.589   7.550
  476   1HD2  LEU  58          1HD2      LEU  58   5.899  -8.886   4.095
  477   2HD2  LEU  58          2HD2      LEU  58   6.639 -10.493   4.047
  478   3HD2  LEU  58          3HD2      LEU  58   5.140 -10.234   4.953
  479    H    TRP  59           H        TRP  59   5.422  -6.495   4.014
  480    HA   TRP  59           HA       TRP  59   2.834  -5.316   4.534
  481   1HB   TRP  59          2HB       TRP  59   4.300  -5.805   1.955
  482   2HB   TRP  59          3HB       TRP  59   2.789  -4.912   2.064
  483    HD1  TRP  59           HD1      TRP  59   6.177  -4.100   1.561
  484    HE1  TRP  59           HE1      TRP  59   6.599  -1.639   2.214
  485    HE3  TRP  59           HE3      TRP  59   2.237  -3.437   4.739
  486    HZ2  TRP  59           HZ2      TRP  59   5.536   0.239   4.073
  487    HZ3  TRP  59           HZ3      TRP  59   1.952  -1.372   5.954
  488    HH2  TRP  59           HH2      TRP  59   3.606   0.535   5.664
  489    H    ASP  60           H        ASP  60   2.098  -7.326   5.468
  490    HA   ASP  60           HA       ASP  60   0.741  -9.191   3.583
  491   1HB   ASP  60          2HB       ASP  60   0.747  -9.158   6.621
  492   2HB   ASP  60          3HB       ASP  60   0.216 -10.481   5.580
  493    H    GLU  61           H        GLU  61  -1.639  -9.799   4.001
  494    HA   GLU  61           HA       GLU  61  -3.196  -7.466   3.451
  495   1HB   GLU  61          2HB       GLU  61  -5.166  -8.865   3.584
  496   2HB   GLU  61          3HB       GLU  61  -3.935  -9.572   2.562
  497   1HG   GLU  61          2HG       GLU  61  -4.278 -10.508   5.434
  498   2HG   GLU  61          3HG       GLU  61  -5.400 -11.024   4.186
  499    H    ASN  62           H        ASN  62  -2.512  -8.996   6.378
  500    HA   ASN  62           HA       ASN  62  -4.429  -7.585   8.097
  501   1HB   ASN  62          2HB       ASN  62  -3.285  -8.988   9.835
  502   2HB   ASN  62          3HB       ASN  62  -4.061  -9.912   8.549
  503   1HD2  ASN  62          2HD2      ASN  62  -2.580 -11.106   6.918
  504   2HD2  ASN  62          1HD2      ASN  62  -0.907 -11.177   7.396
  505    H    ASN  63           H        ASN  63  -0.766  -7.796   8.029
  506    HA   ASN  63           HA       ASN  63  -0.521  -5.585   9.810
  507   1HB   ASN  63          2HB       ASN  63   1.053  -7.493   9.526
  508   2HB   ASN  63          3HB       ASN  63   1.545  -6.844   7.957
  509   1HD2  ASN  63          2HD2      ASN  63   3.124  -5.310   7.967
  510   2HD2  ASN  63          1HD2      ASN  63   3.538  -4.339   9.406
  511    H    MET  64           H        MET  64  -0.304  -5.694   6.233
  512    HA   MET  64           HA       MET  64   0.219  -2.875   5.823
  513   1HB   MET  64          2HB       MET  64   0.229  -4.819   3.995
  514   2HB   MET  64          3HB       MET  64  -1.498  -4.596   4.060
  515   1HG   MET  64          2HG       MET  64  -1.286  -2.245   3.400
  516   2HG   MET  64          3HG       MET  64   0.465  -2.401   3.388
  517   1HE   MET  64          1HE       MET  64  -2.925  -3.518   1.683
  518   2HE   MET  64          2HE       MET  64  -2.342  -4.516   0.330
  519   3HE   MET  64          3HE       MET  64  -2.172  -5.100   1.995
  520    H    SER  65           H        SER  65  -2.717  -4.750   6.586
  521    HA   SER  65           HA       SER  65  -4.576  -2.569   6.094
  522   1HB   SER  65          2HB       SER  65  -4.781  -5.211   7.506
  523   2HB   SER  65          3HB       SER  65  -5.938  -3.961   7.921
  524    HG   SER  65           HG       SER  65  -5.543  -5.388   5.601
  525    H    GLU  66           H        GLU  66  -2.749  -3.558   9.036
  526    HA   GLU  66           HA       GLU  66  -3.948  -1.634  10.779
  527   1HB   GLU  66          2HB       GLU  66  -2.548  -3.532  11.538
  528   2HB   GLU  66          3HB       GLU  66  -1.121  -2.767  10.824
  529   1HG   GLU  66          2HG       GLU  66  -1.477  -0.779  12.327
  530   2HG   GLU  66          3HG       GLU  66  -2.883  -1.570  13.009
  531    H    TYR  67           H        TYR  67  -0.895  -1.427   8.904
  532    HA   TYR  67           HA       TYR  67  -0.344   1.331   9.136
  533   1HB   TYR  67          2HB       TYR  67   1.146  -0.291   8.092
  534   2HB   TYR  67          3HB       TYR  67   0.010  -0.533   6.779
  535    HD1  TYR  67           HD1      TYR  67   0.362   0.655   4.763
  536    HD2  TYR  67           HD2      TYR  67   1.923   2.174   8.457
  537    HE1  TYR  67           HE1      TYR  67   1.605   2.400   3.503
  538    HE2  TYR  67           HE2      TYR  67   3.072   4.041   7.208
  539    HH   TYR  67           HH       TYR  67   3.346   3.932   3.742
  540    H    LEU  68           H        LEU  68  -2.397  -0.159   6.580
  541    HA   LEU  68           HA       LEU  68  -3.185   2.371   5.481
  542   1HB   LEU  68          2HB       LEU  68  -4.454  -0.379   5.306
  543   2HB   LEU  68          3HB       LEU  68  -5.020   1.018   4.390
  544    HG   LEU  68           HG       LEU  68  -2.214  -0.130   4.141
  545   1HD1  LEU  68          1HD1      LEU  68  -4.633  -0.436   2.318
  546   2HD1  LEU  68          2HD1      LEU  68  -2.989  -1.047   2.017
  547   3HD1  LEU  68          3HD1      LEU  68  -3.939  -1.707   3.354
  548   1HD2  LEU  68          1HD2      LEU  68  -2.260   2.225   3.528
  549   2HD2  LEU  68          2HD2      LEU  68  -2.089   1.210   2.104
  550   3HD2  LEU  68          3HD2      LEU  68  -3.670   1.941   2.470
  551    H    THR  69           H        THR  69  -4.424   0.779   8.342
  552    HA   THR  69           HA       THR  69  -6.887   2.297   8.518
  553    HB   THR  69           HB       THR  69  -5.504   0.347  10.112
  554    HG1  THR  69           1HG      THR  69  -7.587   0.359  11.094
  555   1HG2  THR  69          1HG2      THR  69  -6.587   2.643  11.791
  556   2HG2  THR  69          2HG2      THR  69  -6.135   1.025  12.367
  557   3HG2  THR  69          3HG2      THR  69  -4.890   2.093  11.738
  558    H    ASN  70           H        ASN  70  -3.553   2.973   9.590
  559    HA   ASN  70           HA       ASN  70  -4.006   5.746   9.122
  560   1HB   ASN  70          2HB       ASN  70  -4.956   5.516  11.483
  561   2HB   ASN  70          3HB       ASN  70  -3.295   5.275  12.028
  562   1HD2  ASN  70          2HD2      ASN  70  -5.468   7.462  10.318
  563   2HD2  ASN  70          1HD2      ASN  70  -4.469   8.881  10.582
  564    HA   PRO  71           HA       PRO  71   0.217   4.245   8.386
  565   1HB   PRO  71          2HB       PRO  71   0.923   5.888   6.293
  566   2HB   PRO  71          3HB       PRO  71  -0.168   4.476   6.112
  567   1HG   PRO  71          2HG       PRO  71  -0.958   7.381   6.491
  568   2HG   PRO  71          3HG       PRO  71  -1.542   6.234   5.255
  569   1HD   PRO  71          2HD       PRO  71  -2.947   6.672   7.513
  570   2HD   PRO  71          3HD       PRO  71  -2.821   5.013   6.843
  571    H    LYS  72           H        LYS  72  -0.753   7.575   8.753
  572    HA   LYS  72           HA       LYS  72   1.849   8.689   9.269
  573   1HB   LYS  72          2HB       LYS  72  -0.272   9.769   8.316
  574   2HB   LYS  72          3HB       LYS  72  -0.856   9.904   9.977
  575   1HG   LYS  72          2HG       LYS  72   0.957  11.394  10.564
  576   2HG   LYS  72          3HG       LYS  72   1.820  11.070   9.050
  577   1HD   LYS  72          2HD       LYS  72  -0.967  12.293   9.127
  578   2HD   LYS  72          3HD       LYS  72   0.499  13.278   9.181
  579   1HE   LYS  72          2HE       LYS  72   1.022  12.959   6.994
  580   2HE   LYS  72          3HE       LYS  72   0.509  11.273   6.988
  581   1HZ   LYS  72          1HZ       LYS  72  -1.482  13.470   7.004
  582   2HZ   LYS  72          2HZ       LYS  72  -0.907  12.806   5.616
  583   3HZ   LYS  72          3HZ       LYS  72  -1.691  11.853   6.624
  584    H    LYS  73           H        LYS  73  -0.591   7.406  11.453
  585    HA   LYS  73           HA       LYS  73   0.923   8.028  13.888
  586   1HB   LYS  73          2HB       LYS  73  -1.464   7.607  13.994
  587   2HB   LYS  73          3HB       LYS  73  -1.293   5.997  13.301
  588   1HG   LYS  73          2HG       LYS  73   0.158   6.714  15.866
  589   2HG   LYS  73          3HG       LYS  73  -1.563   6.364  15.917
  590   1HD   LYS  73          2HD       LYS  73  -1.291   4.129  15.699
  591   2HD   LYS  73          3HD       LYS  73  -0.125   4.283  14.408
  592   1HE   LYS  73          2HE       LYS  73   0.972   3.192  16.229
  593   2HE   LYS  73          3HE       LYS  73   1.672   4.803  16.042
  594   1HZ   LYS  73          1HZ       LYS  73  -0.364   4.038  18.059
  595   2HZ   LYS  73          2HZ       LYS  73   1.230   4.300  18.359
  596   3HZ   LYS  73          3HZ       LYS  73   0.273   5.548  17.876
  597    H    TYR  74           H        TYR  74   0.803   5.245  11.676
  598    HA   TYR  74           HA       TYR  74   2.354   3.431  13.221
  599   1HB   TYR  74          2HB       TYR  74   0.800   3.212  11.087
  600   2HB   TYR  74          3HB       TYR  74   2.276   3.456  10.197
  601    HD1  TYR  74           HD1      TYR  74   4.343   1.794  11.320
  602    HD2  TYR  74           HD2      TYR  74   0.080   1.066  11.254
  603    HE1  TYR  74           HE1      TYR  74   4.718  -0.662  11.736
  604    HE2  TYR  74           HE2      TYR  74   0.531  -1.348  11.452
  605    HH   TYR  74           HH       TYR  74   1.966  -2.820  12.327
  606    H    ILE  75           H        ILE  75   3.262   5.566  10.530
  607    HA   ILE  75           HA       ILE  75   6.162   5.299  11.204
  608    HB   ILE  75           HB       ILE  75   4.939   5.579   8.445
  609   1HG1  ILE  75          2HG1      ILE  75   6.067   3.121   9.841
  610   2HG1  ILE  75          3HG1      ILE  75   4.410   3.360   9.286
  611   1HG2  ILE  75          1HG2      ILE  75   7.780   4.974   9.374
  612   2HG2  ILE  75          2HG2      ILE  75   7.248   5.202   7.690
  613   3HG2  ILE  75          3HG2      ILE  75   7.245   6.568   8.793
  614   1HD1  ILE  75          1HD1      ILE  75   6.856   2.853   7.597
  615   2HD1  ILE  75          2HD1      ILE  75   5.354   1.937   7.694
  616   3HD1  ILE  75          3HD1      ILE  75   5.365   3.527   6.906
  617    HA   PRO  76           HA       PRO  76   4.536   9.600  11.771
  618   1HB   PRO  76          2HB       PRO  76   6.162  10.369  13.855
  619   2HB   PRO  76          3HB       PRO  76   4.647   9.436  14.045
  620   1HG   PRO  76          2HG       PRO  76   7.485   8.374  13.923
  621   2HG   PRO  76          3HG       PRO  76   6.197   7.965  15.101
  622   1HD   PRO  76          2HD       PRO  76   6.713   6.377  12.974
  623   2HD   PRO  76          3HD       PRO  76   5.028   6.659  13.505
  624    H    GLY  77           H        GLY  77   5.162  10.695  10.061
  625   1HA   GLY  77          1HA       GLY  77   6.673  12.401   9.121
  626   2HA   GLY  77          2HA       GLY  77   8.044  11.438   9.641
  627    H    THR  78           H        THR  78   5.888   9.201   8.419
  628    HA   THR  78           HA       THR  78   7.253   8.577   6.058
  629    HB   THR  78           HB       THR  78   5.702   7.046   7.058
  630    HG1  THR  78           1HG      THR  78   4.778   6.322   5.181
  631   1HG2  THR  78          1HG2      THR  78   3.367   8.635   5.932
  632   2HG2  THR  78          2HG2      THR  78   3.313   7.127   6.859
  633   3HG2  THR  78          3HG2      THR  78   3.808   8.635   7.643
  634    H    LYS  79           H        LYS  79   7.401   9.361   4.081
  635    HA   LYS  79           HA       LYS  79   5.948  11.714   3.206
  636   1HB   LYS  79          2HB       LYS  79   8.279  11.057   2.518
  637   2HB   LYS  79          3HB       LYS  79   7.574   9.841   1.469
  638   1HG   LYS  79          2HG       LYS  79   6.361  12.464   0.976
  639   2HG   LYS  79          3HG       LYS  79   8.108  12.609   0.962
  640   1HD   LYS  79          2HD       LYS  79   6.537  10.612  -0.704
  641   2HD   LYS  79          3HD       LYS  79   7.095  12.167  -1.285
  642   1HE   LYS  79          2HE       LYS  79   9.217  11.495  -1.602
  643   2HE   LYS  79          3HE       LYS  79   9.287  10.633  -0.057
  644   1HZ   LYS  79          1HZ       LYS  79   7.842   9.455  -2.350
  645   2HZ   LYS  79          2HZ       LYS  79   9.460   9.242  -2.145
  646   3HZ   LYS  79          3HZ       LYS  79   8.438   8.732  -0.970
  647    H    MET  80           H        MET  80   4.843   8.519   3.426
  648    HA   MET  80           HA       MET  80   2.724   8.774   1.445
  649   1HB   MET  80          2HB       MET  80   3.369   6.563   2.301
  650   2HB   MET  80          3HB       MET  80   2.915   7.039   3.936
  651   1HG   MET  80          2HG       MET  80   0.689   6.996   3.524
  652   2HG   MET  80          3HG       MET  80   0.852   7.454   1.836
  653   1HE   MET  80          1HE       MET  80  -1.371   5.725   1.875
  654   2HE   MET  80          2HE       MET  80  -1.197   3.978   2.166
  655   3HE   MET  80          3HE       MET  80  -0.998   5.115   3.505
  656    H    ALA  81           H        ALA  81   2.480  11.044   1.894
  657    HA   ALA  81           HA       ALA  81   1.450  12.170   4.207
  658   1HB   ALA  81          1HB       ALA  81   0.987  13.017   1.308
  659   2HB   ALA  81          2HB       ALA  81   0.845  14.075   2.726
  660   3HB   ALA  81          3HB       ALA  81   2.425  13.402   2.282
  661    H    PHE  82           H        PHE  82  -0.101   9.897   2.836
  662    HA   PHE  82           HA       PHE  82  -2.878  10.554   2.541
  663   1HB   PHE  82          2HB       PHE  82  -1.648   8.532   1.664
  664   2HB   PHE  82          3HB       PHE  82  -1.599   7.902   3.303
  665    HD1  PHE  82           HD1      PHE  82  -3.257   6.275   3.807
  666    HD2  PHE  82           HD2      PHE  82  -4.112   9.290   0.830
  667    HE1  PHE  82           HE1      PHE  82  -5.449   5.221   3.366
  668    HE2  PHE  82           HE2      PHE  82  -6.301   8.228   0.401
  669    HZ   PHE  82           HZ       PHE  82  -6.981   6.201   1.668
  670    H    GLY  83           H        GLY  83  -4.595   9.530   3.874
  671   1HA   GLY  83          1HA       GLY  83  -4.362  10.452   6.699
  672   2HA   GLY  83          2HA       GLY  83  -5.845  10.267   5.771
  673    H    GLY  84           H        GLY  84  -5.533   7.580   4.863
  674   1HA   GLY  84          1HA       GLY  84  -5.171   5.344   5.783
  675   2HA   GLY  84          2HA       GLY  84  -5.427   5.980   7.400
  676    H    LEU  85           H        LEU  85  -6.818   4.005   5.383
  677    HA   LEU  85           HA       LEU  85  -9.632   4.912   5.558
  678   1HB   LEU  85          2HB       LEU  85  -8.309   2.529   4.222
  679   2HB   LEU  85          3HB       LEU  85 -10.045   2.819   4.237
  680    HG   LEU  85           HG       LEU  85  -8.005   4.748   3.047
  681   1HD1  LEU  85          1HD1      LEU  85  -9.819   2.738   1.670
  682   2HD1  LEU  85          2HD1      LEU  85  -8.764   3.913   0.869
  683   3HD1  LEU  85          3HD1      LEU  85  -8.058   2.611   1.832
  684   1HD2  LEU  85          1HD2      LEU  85 -10.124   5.876   3.676
  685   2HD2  LEU  85          2HD2      LEU  85  -9.955   5.774   1.929
  686   3HD2  LEU  85          3HD2      LEU  85 -11.046   4.648   2.771
  687    H    LYS  86           H        LYS  86  -9.865   4.866   7.751
  688    HA   LYS  86           HA       LYS  86  -9.734   2.551   9.459
  689   1HB   LYS  86          2HB       LYS  86 -11.658   4.917   9.526
  690   2HB   LYS  86          3HB       LYS  86 -11.439   3.746  10.833
  691   1HG   LYS  86          2HG       LYS  86  -9.053   4.390  11.039
  692   2HG   LYS  86          3HG       LYS  86  -9.265   5.600   9.757
  693   1HD   LYS  86          2HD       LYS  86 -10.975   6.763  11.114
  694   2HD   LYS  86          3HD       LYS  86 -10.785   5.547  12.400
  695   1HE   LYS  86          2HE       LYS  86  -8.389   6.156  12.617
  696   2HE   LYS  86          3HE       LYS  86  -8.577   7.372  11.343
  697   1HZ   LYS  86          1HZ       LYS  86 -10.026   7.388  13.932
  698   2HZ   LYS  86          2HZ       LYS  86  -8.743   8.348  13.564
  699   3HZ   LYS  86          3HZ       LYS  86 -10.165   8.530  12.760
  700    H    LYS  87           H        LYS  87 -11.680   2.874   6.770
  701    HA   LYS  87           HA       LYS  87 -14.025   1.308   7.682
  702   1HB   LYS  87          2HB       LYS  87 -13.128   2.346   4.964
  703   2HB   LYS  87          3HB       LYS  87 -14.575   1.357   5.197
  704   1HG   LYS  87          2HG       LYS  87 -15.543   3.093   6.674
  705   2HG   LYS  87          3HG       LYS  87 -14.077   4.080   6.485
  706   1HD   LYS  87          2HD       LYS  87 -14.461   4.130   4.019
  707   2HD   LYS  87          3HD       LYS  87 -15.984   3.271   4.237
  708   1HE   LYS  87          2HE       LYS  87 -15.284   5.980   5.462
  709   2HE   LYS  87          3HE       LYS  87 -16.155   5.766   3.937
  710   1HZ   LYS  87          1HZ       LYS  87 -17.111   4.806   6.571
  711   2HZ   LYS  87          2HZ       LYS  87 -17.680   6.127   5.781
  712   3HZ   LYS  87          3HZ       LYS  87 -17.910   4.632   5.140
  713    H    GLU  88           H        GLU  88 -13.578  -0.719   8.232
  714    HA   GLU  88           HA       GLU  88 -11.760  -2.595   7.309
  715   1HB   GLU  88          2HB       GLU  88 -13.010  -3.306   9.026
  716   2HB   GLU  88          3HB       GLU  88 -14.515  -2.681   8.448
  717   1HG   GLU  88          2HG       GLU  88 -13.178  -5.140   7.238
  718   2HG   GLU  88          3HG       GLU  88 -14.245  -5.230   8.640
  719    H    LYS  89           H        LYS  89 -14.983  -2.372   5.848
  720    HA   LYS  89           HA       LYS  89 -14.575  -4.049   3.765
  721   1HB   LYS  89          2HB       LYS  89 -16.576  -3.013   2.735
  722   2HB   LYS  89          3HB       LYS  89 -16.651  -3.561   4.385
  723   1HG   LYS  89          2HG       LYS  89 -16.404  -1.093   5.118
  724   2HG   LYS  89          3HG       LYS  89 -16.612  -0.700   3.409
  725   1HD   LYS  89          2HD       LYS  89 -18.763  -0.502   4.243
  726   2HD   LYS  89          3HD       LYS  89 -18.808  -2.120   3.559
  727   1HE   LYS  89          2HE       LYS  89 -18.342  -1.446   6.514
  728   2HE   LYS  89          3HE       LYS  89 -19.917  -1.845   5.813
  729   1HZ   LYS  89          1HZ       LYS  89 -17.576  -3.627   6.131
  730   2HZ   LYS  89          2HZ       LYS  89 -19.019  -3.797   6.818
  731   3HZ   LYS  89          3HZ       LYS  89 -18.839  -4.049   5.186
  732    H    ASP  90           H        ASP  90 -14.016  -0.586   3.491
  733    HA   ASP  90           HA       ASP  90 -13.219  -0.323   0.767
  734   1HB   ASP  90          2HB       ASP  90 -12.402   0.956   3.394
  735   2HB   ASP  90          3HB       ASP  90 -11.441   1.217   1.986
  736    H    ARG  91           H        ARG  91 -11.321  -1.315   3.663
  737    HA   ARG  91           HA       ARG  91  -8.982  -2.037   2.070
  738   1HB   ARG  91          2HB       ARG  91  -9.656  -2.491   4.996
  739   2HB   ARG  91          3HB       ARG  91  -8.129  -2.968   4.228
  740   1HG   ARG  91          2HG       ARG  91  -7.864  -0.557   3.467
  741   2HG   ARG  91          3HG       ARG  91  -9.219  -0.131   4.520
  742   1HD   ARG  91          2HD       ARG  91  -6.674  -1.526   5.477
  743   2HD   ARG  91          3HD       ARG  91  -6.894   0.222   5.445
  744    HE   ARG  91           HE       ARG  91  -8.353   0.182   7.199
  745   1HH1  ARG  91          1HH2      ARG  91  -7.807  -3.202   6.338
  746   2HH1  ARG  91          2HH2      ARG  91  -8.342  -3.779   7.885
  747   1HH2  ARG  91          1HH1      ARG  91  -8.557  -0.623   9.191
  748   2HH2  ARG  91          2HH1      ARG  91  -8.787  -2.325   9.513
  749    H    ASN  92           H        ASN  92 -11.695  -3.966   3.328
  750    HA   ASN  92           HA       ASN  92 -10.451  -6.496   2.672
  751   1HB   ASN  92          2HB       ASN  92 -13.304  -5.670   3.262
  752   2HB   ASN  92          3HB       ASN  92 -12.932  -7.289   2.685
  753   1HD2  ASN  92          2HD2      ASN  92 -14.061  -6.764   5.333
  754   2HD2  ASN  92          1HD2      ASN  92 -12.820  -7.401   6.396
  755    H    ASP  93           H        ASP  93 -12.626  -4.412   0.720
  756    HA   ASP  93           HA       ASP  93 -12.417  -6.026  -1.694
  757   1HB   ASP  93          2HB       ASP  93 -12.929  -3.090  -1.143
  758   2HB   ASP  93          3HB       ASP  93 -12.626  -3.652  -2.779
  759    H    LEU  94           H        LEU  94 -10.419  -3.322  -0.461
  760    HA   LEU  94           HA       LEU  94  -8.650  -3.257  -2.638
  761   1HB   LEU  94          2HB       LEU  94  -9.030  -1.553  -0.753
  762   2HB   LEU  94          3HB       LEU  94  -7.889  -2.511   0.196
  763    HG   LEU  94           HG       LEU  94  -6.187  -2.087  -1.649
  764   1HD1  LEU  94          1HD1      LEU  94  -8.345  -0.133  -2.582
  765   2HD1  LEU  94          2HD1      LEU  94  -6.661  -0.134  -3.137
  766   3HD1  LEU  94          3HD1      LEU  94  -7.716  -1.502  -3.516
  767   1HD2  LEU  94          1HD2      LEU  94  -6.172  -0.793   0.411
  768   2HD2  LEU  94          2HD2      LEU  94  -5.869   0.298  -0.950
  769   3HD2  LEU  94          3HD2      LEU  94  -7.470   0.263  -0.193
  770    H    ILE  95           H        ILE  95  -8.267  -5.101   0.393
  771    HA   ILE  95           HA       ILE  95  -5.790  -6.420  -0.109
  772    HB   ILE  95           HB       ILE  95  -8.339  -7.361   1.271
  773   1HG1  ILE  95          2HG1      ILE  95  -5.616  -6.819   2.534
  774   2HG1  ILE  95          3HG1      ILE  95  -6.736  -5.507   2.250
  775   1HG2  ILE  95          1HG2      ILE  95  -5.682  -8.843   1.052
  776   2HG2  ILE  95          2HG2      ILE  95  -6.979  -9.261   2.195
  777   3HG2  ILE  95          3HG2      ILE  95  -7.263  -9.409   0.487
  778   1HD1  ILE  95          1HD1      ILE  95  -7.327  -7.957   3.973
  779   2HD1  ILE  95          2HD1      ILE  95  -7.023  -6.313   4.523
  780   3HD1  ILE  95          3HD1      ILE  95  -8.482  -6.658   3.605
  781    H    THR  96           H        THR  96  -9.102  -7.572  -0.923
  782    HA   THR  96           HA       THR  96  -8.196  -9.857  -2.312
  783    HB   THR  96           HB       THR  96 -10.727  -8.519  -1.825
  784    HG1  THR  96           1HG      THR  96 -11.351 -10.762  -2.103
  785   1HG2  THR  96          1HG2      THR  96 -10.476  -9.864  -4.535
  786   2HG2  THR  96          2HG2      THR  96 -11.985  -9.547  -3.682
  787   3HG2  THR  96          3HG2      THR  96 -10.970  -8.177  -4.173
  788    H    TYR  97           H        TYR  97  -8.625  -6.602  -3.562
  789    HA   TYR  97           HA       TYR  97  -7.912  -7.225  -6.318
  790   1HB   TYR  97          2HB       TYR  97  -9.092  -5.244  -5.944
  791   2HB   TYR  97          3HB       TYR  97  -8.051  -4.732  -4.626
  792    HD1  TYR  97           HD1      TYR  97  -6.542  -3.041  -5.027
  793    HD2  TYR  97           HD2      TYR  97  -7.670  -5.633  -8.286
  794    HE1  TYR  97           HE1      TYR  97  -5.155  -1.700  -6.579
  795    HE2  TYR  97           HE2      TYR  97  -6.325  -4.215  -9.859
  796    HH   TYR  97           HH       TYR  97  -4.679  -1.285  -8.714
  797    H    LEU  98           H        LEU  98  -5.904  -5.621  -3.706
  798    HA   LEU  98           HA       LEU  98  -3.649  -5.537  -5.450
  799   1HB   LEU  98          2HB       LEU  98  -4.368  -4.643  -2.709
  800   2HB   LEU  98          3HB       LEU  98  -2.779  -5.234  -2.774
  801    HG   LEU  98           HG       LEU  98  -3.382  -3.459  -5.092
  802   1HD1  LEU  98          1HD1      LEU  98  -3.397  -2.257  -2.309
  803   2HD1  LEU  98          2HD1      LEU  98  -3.288  -1.363  -3.843
  804   3HD1  LEU  98          3HD1      LEU  98  -4.749  -2.287  -3.469
  805   1HD2  LEU  98          1HD2      LEU  98  -1.104  -4.264  -4.480
  806   2HD2  LEU  98          2HD2      LEU  98  -1.238  -2.496  -4.528
  807   3HD2  LEU  98          3HD2      LEU  98  -1.210  -3.348  -2.961
  808    H    LYS  99           H        LYS  99  -4.666  -7.910  -3.086
  809    HA   LYS  99           HA       LYS  99  -2.243  -9.500  -3.156
  810   1HB   LYS  99          2HB       LYS  99  -4.271  -9.586  -1.534
  811   2HB   LYS  99          3HB       LYS  99  -5.007 -10.663  -2.733
  812   1HG   LYS  99          2HG       LYS  99  -2.996 -12.161  -2.504
  813   2HG   LYS  99          3HG       LYS  99  -2.311 -11.018  -1.328
  814   1HD   LYS  99          2HD       LYS  99  -4.532 -11.356  -0.005
  815   2HD   LYS  99          3HD       LYS  99  -4.783 -12.764  -1.036
  816   1HE   LYS  99          2HE       LYS  99  -2.559 -12.247   0.982
  817   2HE   LYS  99          3HE       LYS  99  -3.828 -13.450   1.072
  818   1HZ   LYS  99          1HZ       LYS  99  -1.501 -13.436  -0.763
  819   2HZ   LYS  99          2HZ       LYS  99  -1.855 -14.551   0.367
  820   3HZ   LYS  99          3HZ       LYS  99  -2.684 -14.420  -1.060
  821    H    LYS 100           H        LYS 100  -5.226  -9.536  -5.165
  822    HA   LYS 100           HA       LYS 100  -4.232 -11.628  -6.922
  823   1HB   LYS 100          2HB       LYS 100  -6.611 -11.091  -6.316
  824   2HB   LYS 100          3HB       LYS 100  -6.546  -9.712  -7.382
  825   1HG   LYS 100          2HG       LYS 100  -7.680 -11.691  -8.365
  826   2HG   LYS 100          3HG       LYS 100  -6.364 -11.088  -9.340
  827   1HD   LYS 100          2HD       LYS 100  -5.458 -13.247  -7.531
  828   2HD   LYS 100          3HD       LYS 100  -6.821 -13.756  -8.519
  829   1HE   LYS 100          2HE       LYS 100  -5.681 -13.269 -10.577
  830   2HE   LYS 100          3HE       LYS 100  -4.431 -12.343  -9.731
  831   1HZ   LYS 100          1HZ       LYS 100  -4.670 -15.260  -9.293
  832   2HZ   LYS 100          2HZ       LYS 100  -3.589 -14.528 -10.330
  833   3HZ   LYS 100          3HZ       LYS 100  -3.509 -14.205  -8.802
  834    H    ALA 101           H        ALA 101  -3.672  -8.427  -6.811
  835    HA   ALA 101           HA       ALA 101  -2.592  -8.114  -9.563
  836   1HB   ALA 101          1HB       ALA 101  -2.272  -6.268  -7.169
  837   2HB   ALA 101          2HB       ALA 101  -1.932  -5.899  -8.866
  838   3HB   ALA 101          3HB       ALA 101  -3.605  -6.187  -8.352
  839    H    THR 102           H        THR 102  -1.403  -9.566  -6.721
  840    HA   THR 102           HA       THR 102   1.390  -9.489  -7.771
  841    HB   THR 102           HB       THR 102   1.161  -7.982  -5.869
  842    HG1  THR 102           1HG      THR 102   2.682 -10.328  -5.706
  843   1HG2  THR 102          1HG2      THR 102   0.759 -10.500  -4.199
  844   2HG2  THR 102          2HG2      THR 102   1.092  -8.863  -3.618
  845   3HG2  THR 102          3HG2      THR 102  -0.435  -9.209  -4.429
  846    H    GLU 103           H        GLU 103  -1.198 -11.465  -6.922
  847    HA   GLU 103           HA       GLU 103   0.296 -14.013  -7.138
  848   1HB   GLU 103          2HB       GLU 103  -1.946 -13.329  -5.176
  849   2HB   GLU 103          3HB       GLU 103  -1.381 -14.958  -5.521
  850   1HG   GLU 103          2HG       GLU 103   0.727 -14.586  -4.460
  851   2HG   GLU 103          3HG       GLU 103   0.457 -12.840  -4.367
  852    HHA  HEC 104           HHA      HEC 104   5.328   3.081   0.775
  853    HHB  HEC 104           HHB      HEC 104  -0.427   0.295  -0.004
  854    HHC  HEC 104           HHC      HEC 104  -3.043   6.113  -1.190
  855    HHD  HEC 104           HHD      HEC 104   2.832   8.717  -1.122
  856   1HMA  HEC 104          1HMA      HEC 104   1.843  -1.258   1.637
  857   2HMA  HEC 104          2HMA      HEC 104   1.119  -1.284   0.012
  858   3HMA  HEC 104          3HMA      HEC 104   2.839  -1.582   0.204
  859   1HAA  HEC 104          1HAA      HEC 104   4.638  -0.631   1.135
  860   2HAA  HEC 104          2HAA      HEC 104   5.291   0.895   1.728
  861   1HBA  HEC 104          1HBA      HEC 104   5.952   1.405  -0.684
  862   2HBA  HEC 104          2HBA      HEC 104   5.441  -0.229  -1.103
  863   1HMB  HEC 104          1HMB      HEC 104  -3.640   0.549   0.093
  864   2HMB  HEC 104          2HMB      HEC 104  -3.731   0.814  -1.665
  865   3HMB  HEC 104          3HMB      HEC 104  -2.345  -0.001  -0.980
  866    HAB  HEC 104           HAB      HEC 104  -4.543   4.768  -1.082
  867   1HBB  HEC 104          1HBB      HEC 104  -4.895   3.778   1.093
  868   2HBB  HEC 104          2HBB      HEC 104  -6.321   3.655   0.042
  869   3HBB  HEC 104          3HBB      HEC 104  -5.306   2.229   0.333
  870   1HMC  HEC 104          1HMC      HEC 104  -3.261   8.424  -1.219
  871   2HMC  HEC 104          2HMC      HEC 104  -2.383   9.719  -2.032
  872   3HMC  HEC 104          3HMC      HEC 104  -2.697   8.200  -2.882
  873    HAC  HEC 104           HAC      HEC 104   1.552   9.981  -2.067
  874   1HBC  HEC 104          1HBC      HEC 104   0.457  10.982  -0.154
  875   2HBC  HEC 104          2HBC      HEC 104   0.449  12.043  -1.580
  876   3HBC  HEC 104          3HBC      HEC 104  -1.031  11.192  -1.097
  877   1HMD  HEC 104          1HMD      HEC 104   5.922   8.567   0.302
  878   2HMD  HEC 104          2HMD      HEC 104   6.390   7.896  -1.262
  879   3HMD  HEC 104          3HMD      HEC 104   4.954   8.923  -1.139
  880   1HAD  HEC 104          1HAD      HEC 104   7.336   5.821  -0.379
  881   2HAD  HEC 104          2HAD      HEC 104   6.936   4.462   0.621
  882   1HBD  HEC 104          1HBD      HEC 104   7.393   5.537   2.523
  883   2HBD  HEC 104          2HBD      HEC 104   6.303   6.854   2.126
  Start of MODEL   27
    1   1H    THR  -5          H1        THR  -5 -11.815 -10.249  14.130
    2   2H    THR  -5          H2        THR  -5 -11.847 -11.890  14.005
    3   3H    THR  -5          H3        THR  -5 -13.165 -11.120  14.577
    4    HA   THR  -5           HA       THR  -5 -13.378 -11.913  12.306
    5    HB   THR  -5           HB       THR  -5 -14.832 -10.135  12.890
    6    HG1  THR  -5           1HG      THR  -5 -14.684  -8.949  10.794
    7   1HG2  THR  -5          1HG2      THR  -5 -12.682  -8.126  12.103
    8   2HG2  THR  -5          2HG2      THR  -5 -14.367  -7.774  12.524
    9   3HG2  THR  -5          3HG2      THR  -5 -13.279  -8.416  13.755
   10    H    GLU  -4           H        GLU  -4 -12.297 -12.487  10.675
   11    HA   GLU  -4           HA       GLU  -4  -9.482 -11.918  10.662
   12   1HB   GLU  -4          2HB       GLU  -4 -11.198 -14.185   9.541
   13   2HB   GLU  -4          3HB       GLU  -4  -9.445 -14.196   9.691
   14   1HG   GLU  -4          2HG       GLU  -4 -10.456 -15.546  11.442
   15   2HG   GLU  -4          3HG       GLU  -4  -9.575 -14.175  12.118
   16    H    PHE  -3           H        PHE  -3 -10.843 -10.030   9.345
   17    HA   PHE  -3           HA       PHE  -3 -11.297  -8.852   7.416
   18   1HB   PHE  -3          2HB       PHE  -3  -9.354  -8.659   6.420
   19   2HB   PHE  -3          3HB       PHE  -3  -8.870 -10.294   6.714
   20    HD1  PHE  -3           HD1      PHE  -3  -9.891 -12.156   5.138
   21    HD2  PHE  -3           HD2      PHE  -3  -9.558  -7.964   4.187
   22    HE1  PHE  -3           HE1      PHE  -3  -9.910 -12.698   2.709
   23    HE2  PHE  -3           HE2      PHE  -3  -9.561  -8.518   1.768
   24    HZ   PHE  -3           HZ       PHE  -3  -9.734 -10.857   1.020
   25    H    LYS  -2           H        LYS  -2 -12.286  -9.351   4.963
   26    HA   LYS  -2           HA       LYS  -2 -13.664 -11.913   4.849
   27   1HB   LYS  -2          2HB       LYS  -2 -14.925  -9.216   5.343
   28   2HB   LYS  -2          3HB       LYS  -2 -15.581 -10.109   4.018
   29   1HG   LYS  -2          2HG       LYS  -2 -16.812 -11.364   5.449
   30   2HG   LYS  -2          3HG       LYS  -2 -15.339 -12.017   6.137
   31   1HD   LYS  -2          2HD       LYS  -2 -15.392  -9.667   7.512
   32   2HD   LYS  -2          3HD       LYS  -2 -17.115  -9.817   7.139
   33   1HE   LYS  -2          2HE       LYS  -2 -16.918 -10.944   9.197
   34   2HE   LYS  -2          3HE       LYS  -2 -16.893 -12.255   8.009
   35   1HZ   LYS  -2          1HZ       LYS  -2 -14.594 -11.086   9.474
   36   2HZ   LYS  -2          2HZ       LYS  -2 -15.069 -12.659   9.477
   37   3HZ   LYS  -2          3HZ       LYS  -2 -14.341 -11.993   8.155
   38    H    ALA  -1           H        ALA  -1 -14.069 -12.539   2.777
   39    HA   ALA  -1           HA       ALA  -1 -12.452 -11.441   0.671
   40   1HB   ALA  -1          1HB       ALA  -1 -14.811 -13.371   0.573
   41   2HB   ALA  -1          2HB       ALA  -1 -13.662 -13.069  -0.742
   42   3HB   ALA  -1          3HB       ALA  -1 -13.096 -13.819   0.765
   43    H    GLY   1           H        GLY   1 -12.788  -9.642  -0.449
   44   1HA   GLY   1          1HA       GLY   1 -15.514  -8.499  -0.848
   45   2HA   GLY   1          2HA       GLY   1 -13.963  -7.718  -1.199
   46    H    SER   2           H        SER   2 -14.393  -7.305  -3.308
   47    HA   SER   2           HA       SER   2 -14.109  -9.652  -5.149
   48   1HB   SER   2          2HB       SER   2 -16.470  -8.856  -5.251
   49   2HB   SER   2          3HB       SER   2 -15.861  -7.268  -5.761
   50    HG   SER   2           HG       SER   2 -15.766  -9.753  -7.064
   51    H    ALA   3           H        ALA   3 -12.242  -9.449  -6.232
   52    HA   ALA   3           HA       ALA   3 -10.533  -7.286  -6.043
   53   1HB   ALA   3          1HB       ALA   3 -10.666  -9.317  -8.317
   54   2HB   ALA   3          2HB       ALA   3  -9.252  -8.343  -7.858
   55   3HB   ALA   3          3HB       ALA   3  -9.879  -9.565  -6.741
   56    H    LYS   4           H        LYS   4 -13.176  -7.558  -8.319
   57    HA   LYS   4           HA       LYS   4 -12.240  -5.233  -9.872
   58   1HB   LYS   4          2HB       LYS   4 -13.438  -7.270 -10.873
   59   2HB   LYS   4          3HB       LYS   4 -14.933  -6.592 -10.213
   60   1HG   LYS   4          2HG       LYS   4 -14.628  -4.555 -11.557
   61   2HG   LYS   4          3HG       LYS   4 -13.040  -5.098 -12.103
   62   1HD   LYS   4          2HD       LYS   4 -15.662  -6.528 -12.731
   63   2HD   LYS   4          3HD       LYS   4 -14.898  -5.316 -13.771
   64   1HE   LYS   4          2HE       LYS   4 -12.845  -6.735 -13.907
   65   2HE   LYS   4          3HE       LYS   4 -13.667  -7.987 -12.963
   66   1HZ   LYS   4          1HZ       LYS   4 -14.564  -6.967 -15.604
   67   2HZ   LYS   4          2HZ       LYS   4 -13.835  -8.413 -15.351
   68   3HZ   LYS   4          3HZ       LYS   4 -15.332  -8.132 -14.741
   69    H    LYS   5           H        LYS   5 -13.918  -5.541  -7.069
   70    HA   LYS   5           HA       LYS   5 -15.219  -2.839  -7.135
   71   1HB   LYS   5          2HB       LYS   5 -15.285  -5.091  -5.200
   72   2HB   LYS   5          3HB       LYS   5 -14.822  -3.573  -4.457
   73   1HG   LYS   5          2HG       LYS   5 -17.074  -3.598  -4.159
   74   2HG   LYS   5          3HG       LYS   5 -16.850  -2.492  -5.516
   75   1HD   LYS   5          2HD       LYS   5 -17.513  -4.300  -7.088
   76   2HD   LYS   5          3HD       LYS   5 -17.642  -5.437  -5.715
   77   1HE   LYS   5          2HE       LYS   5 -19.303  -3.876  -4.649
   78   2HE   LYS   5          3HE       LYS   5 -19.265  -2.881  -6.111
   79   1HZ   LYS   5          1HZ       LYS   5 -20.114  -5.722  -5.970
   80   2HZ   LYS   5          2HZ       LYS   5 -21.114  -4.436  -6.158
   81   3HZ   LYS   5          3HZ       LYS   5 -20.054  -4.828  -7.354
   82    H    GLY   6           H        GLY   6 -12.619  -4.414  -5.261
   83   1HA   GLY   6          1HA       GLY   6 -11.357  -2.144  -4.271
   84   2HA   GLY   6          2HA       GLY   6 -10.512  -3.636  -4.627
   85    H    ALA   7           H        ALA   7 -10.719  -3.606  -7.493
   86    HA   ALA   7           HA       ALA   7  -8.779  -1.854  -8.461
   87   1HB   ALA   7          1HB       ALA   7 -11.202  -2.980  -9.941
   88   2HB   ALA   7          2HB       ALA   7  -9.719  -2.354 -10.691
   89   3HB   ALA   7          3HB       ALA   7  -9.658  -3.817  -9.692
   90    H    THR   8           H        THR   8 -12.331  -1.313  -8.781
   91    HA   THR   8           HA       THR   8 -12.086   1.312  -9.897
   92    HB   THR   8           HB       THR   8 -14.438   1.652  -9.330
   93    HG1  THR   8           1HG      THR   8 -14.028  -0.568  -7.672
   94   1HG2  THR   8          1HG2      THR   8 -13.898  -1.127 -10.446
   95   2HG2  THR   8          2HG2      THR   8 -15.389  -0.186 -10.625
   96   3HG2  THR   8          3HG2      THR   8 -13.884   0.398 -11.359
   97    H    LEU   9           H        LEU   9 -11.961   0.281  -6.566
   98    HA   LEU   9           HA       LEU   9 -12.319   2.937  -5.413
   99   1HB   LEU   9          2HB       LEU   9 -11.355   0.284  -4.317
  100   2HB   LEU   9          3HB       LEU   9 -11.280   1.760  -3.354
  101    HG   LEU   9           HG       LEU   9 -13.841   0.896  -4.694
  102   1HD1  LEU   9          1HD1      LEU   9 -12.895   0.120  -1.888
  103   2HD1  LEU   9          2HD1      LEU   9 -14.512  -0.181  -2.555
  104   3HD1  LEU   9          3HD1      LEU   9 -13.115  -0.988  -3.263
  105   1HD2  LEU   9          1HD2      LEU   9 -13.768   3.210  -3.823
  106   2HD2  LEU   9          2HD2      LEU   9 -14.897   2.216  -2.899
  107   3HD2  LEU   9          3HD2      LEU   9 -13.297   2.588  -2.216
  108    H    PHE  10           H        PHE  10  -9.537   0.739  -5.717
  109    HA   PHE  10           HA       PHE  10  -7.403   2.379  -5.031
  110   1HB   PHE  10          2HB       PHE  10  -7.139   0.030  -5.453
  111   2HB   PHE  10          3HB       PHE  10  -7.617   0.201  -7.129
  112    HD1  PHE  10           HD1      PHE  10  -6.044   0.802  -8.843
  113    HD2  PHE  10           HD2      PHE  10  -4.888   0.882  -4.695
  114    HE1  PHE  10           HE1      PHE  10  -3.651   0.980  -9.505
  115    HE2  PHE  10           HE2      PHE  10  -2.511   1.160  -5.368
  116    HZ   PHE  10           HZ       PHE  10  -1.887   1.217  -7.754
  117    H    LYS  11           H        LYS  11  -8.924   2.179  -8.215
  118    HA   LYS  11           HA       LYS  11  -7.251   3.905  -9.724
  119   1HB   LYS  11          2HB       LYS  11  -8.931   2.335 -10.587
  120   2HB   LYS  11          3HB       LYS  11 -10.239   3.364 -10.020
  121   1HG   LYS  11          2HG       LYS  11  -8.164   4.520 -11.896
  122   2HG   LYS  11          3HG       LYS  11  -9.328   3.372 -12.542
  123   1HD   LYS  11          2HD       LYS  11 -11.208   4.757 -11.916
  124   2HD   LYS  11          3HD       LYS  11 -10.157   5.903 -11.064
  125   1HE   LYS  11          2HE       LYS  11  -8.939   6.332 -13.220
  126   2HE   LYS  11          3HE       LYS  11 -10.090   5.279 -14.050
  127   1HZ   LYS  11          1HZ       LYS  11 -10.768   7.780 -12.599
  128   2HZ   LYS  11          2HZ       LYS  11 -10.743   7.606 -14.231
  129   3HZ   LYS  11          3HZ       LYS  11 -11.867   6.807 -13.339
  130    H    THR  12           H        THR  12  -9.604   4.769  -7.357
  131    HA   THR  12           HA       THR  12  -8.905   7.648  -7.625
  132    HB   THR  12           HB       THR  12 -11.018   7.382  -8.755
  133    HG1  THR  12           1HG      THR  12 -11.130   8.637  -6.245
  134   1HG2  THR  12          1HG2      THR  12 -12.072   6.216  -6.150
  135   2HG2  THR  12          2HG2      THR  12 -13.088   6.848  -7.467
  136   3HG2  THR  12          3HG2      THR  12 -12.032   5.463  -7.750
  137    H    ARG  13           H        ARG  13  -7.865   5.621  -5.888
  138    HA   ARG  13           HA       ARG  13  -8.155   7.204  -3.359
  139   1HB   ARG  13          2HB       ARG  13  -7.946   4.160  -3.468
  140   2HB   ARG  13          3HB       ARG  13  -7.789   5.125  -2.009
  141   1HG   ARG  13          2HG       ARG  13 -10.314   4.967  -3.699
  142   2HG   ARG  13          3HG       ARG  13  -9.983   3.992  -2.272
  143   1HD   ARG  13          2HD       ARG  13  -9.947   6.040  -0.904
  144   2HD   ARG  13          3HD       ARG  13 -10.244   7.027  -2.329
  145    HE   ARG  13           HE       ARG  13 -12.125   5.185  -0.948
  146   1HH1  ARG  13          1HH2      ARG  13 -11.630   7.133  -3.797
  147   2HH1  ARG  13          2HH2      ARG  13 -13.327   7.202  -4.198
  148   1HH2  ARG  13          1HH1      ARG  13 -14.289   5.247  -1.513
  149   2HH2  ARG  13          2HH1      ARG  13 -14.822   6.187  -2.887
  150    H    CYS  14           H        CYS  14  -6.128   4.709  -4.950
  151    HA   CYS  14           HA       CYS  14  -3.732   5.897  -3.617
  152   1HB   CYS  14          2HB       CYS  14  -3.803   3.155  -4.731
  153   2HB   CYS  14          3HB       CYS  14  -2.856   3.758  -3.399
  154    H    LEU  15           H        LEU  15  -5.045   4.828  -6.777
  155    HA   LEU  15           HA       LEU  15  -2.706   4.583  -8.227
  156   1HB   LEU  15          2HB       LEU  15  -4.974   3.948  -8.960
  157   2HB   LEU  15          3HB       LEU  15  -5.396   5.654  -9.128
  158    HG   LEU  15           HG       LEU  15  -3.631   5.867 -10.912
  159   1HD1  LEU  15          1HD1      LEU  15  -3.556   2.827 -10.775
  160   2HD1  LEU  15          2HD1      LEU  15  -2.762   3.845 -11.988
  161   3HD1  LEU  15          3HD1      LEU  15  -2.222   3.907 -10.312
  162   1HD2  LEU  15          1HD2      LEU  15  -6.007   5.511 -11.469
  163   2HD2  LEU  15          2HD2      LEU  15  -4.919   4.780 -12.660
  164   3HD2  LEU  15          3HD2      LEU  15  -5.735   3.747 -11.472
  165    H    GLN  16           H        GLN  16  -4.156   7.564  -7.161
  166    HA   GLN  16           HA       GLN  16  -2.800   9.476  -8.739
  167   1HB   GLN  16          2HB       GLN  16  -3.090  11.016  -6.922
  168   2HB   GLN  16          3HB       GLN  16  -4.553  10.091  -7.213
  169   1HG   GLN  16          2HG       GLN  16  -4.037   8.658  -5.235
  170   2HG   GLN  16          3HG       GLN  16  -2.584   9.631  -4.936
  171   1HE2  GLN  16          2HE2      GLN  16  -5.291   9.218  -3.395
  172   2HE2  GLN  16          1HE2      GLN  16  -5.695  10.936  -3.114
  173    H    CYS  17           H        CYS  17  -1.489   7.536  -6.004
  174    HA   CYS  17           HA       CYS  17   1.144   8.887  -6.371
  175   1HB   CYS  17          2HB       CYS  17  -0.052   7.426  -4.007
  176   2HB   CYS  17          3HB       CYS  17   1.595   8.037  -4.074
  177    H    HIS  18           H        HIS  18  -0.383   5.820  -6.839
  178    HA   HIS  18           HA       HIS  18   2.227   4.350  -6.829
  179   1HB   HIS  18          1HB       HIS  18  -0.518   3.683  -5.659
  180   2HB   HIS  18          2HB       HIS  18   0.704   2.465  -5.937
  181    HD1  HIS  18           HD1      HIS  18   3.287   3.593  -4.869
  182    HD2  HIS  18           HD2      HIS  18  -0.478   4.088  -3.072
  183    HE1  HIS  18           HE1      HIS  18   3.714   3.886  -2.376
  184    H    THR  19           H        THR  19   2.066   2.191  -7.820
  185    HA   THR  19           HA       THR  19   0.017   1.825  -9.951
  186    HB   THR  19           HB       THR  19   1.708   0.948 -11.455
  187    HG1  THR  19           1HG      THR  19   3.320   0.370  -9.983
  188   1HG2  THR  19          1HG2      THR  19   2.555   3.739 -10.584
  189   2HG2  THR  19          2HG2      THR  19   2.775   2.994 -12.172
  190   3HG2  THR  19          3HG2      THR  19   1.138   3.393 -11.610
  191    H    VAL  20           H        VAL  20  -0.302  -0.412 -10.515
  192    HA   VAL  20           HA       VAL  20   1.106  -2.436  -8.833
  193    HB   VAL  20           HB       VAL  20  -1.354  -1.849  -8.251
  194   1HG1  VAL  20          1HG1      VAL  20  -1.881  -3.836 -10.496
  195   2HG1  VAL  20          2HG1      VAL  20  -3.040  -3.257  -9.311
  196   3HG1  VAL  20          3HG1      VAL  20  -2.349  -2.118 -10.482
  197   1HG2  VAL  20          1HG2      VAL  20  -0.017  -3.643  -7.212
  198   2HG2  VAL  20          2HG2      VAL  20  -1.716  -4.099  -7.422
  199   3HG2  VAL  20          3HG2      VAL  20  -0.480  -4.750  -8.518
  200    H    GLU  21           H        GLU  21   0.746  -1.293 -11.798
  201    HA   GLU  21           HA       GLU  21   1.170  -3.927 -13.075
  202   1HB   GLU  21          2HB       GLU  21   0.443  -1.292 -14.246
  203   2HB   GLU  21          3HB       GLU  21   1.496  -2.252 -15.207
  204   1HG   GLU  21          2HG       GLU  21  -1.227  -3.129 -14.193
  205   2HG   GLU  21          3HG       GLU  21  -0.759  -2.807 -15.877
  206    H    LYS  22           H        LYS  22   2.657  -4.019 -14.731
  207    HA   LYS  22           HA       LYS  22   5.210  -4.414 -13.410
  208   1HB   LYS  22          2HB       LYS  22   3.897  -5.235 -15.942
  209   2HB   LYS  22          3HB       LYS  22   5.629  -5.344 -15.719
  210   1HG   LYS  22          2HG       LYS  22   5.048  -7.320 -14.898
  211   2HG   LYS  22          3HG       LYS  22   5.134  -6.492 -13.423
  212   1HD   LYS  22          2HD       LYS  22   2.456  -6.822 -14.828
  213   2HD   LYS  22          3HD       LYS  22   3.146  -8.126 -13.872
  214   1HE   LYS  22          2HE       LYS  22   3.112  -6.887 -11.848
  215   2HE   LYS  22          3HE       LYS  22   2.817  -5.371 -12.671
  216   1HZ   LYS  22          1HZ       LYS  22   0.851  -7.572 -12.358
  217   2HZ   LYS  22          2HZ       LYS  22   0.774  -6.048 -11.733
  218   3HZ   LYS  22          3HZ       LYS  22   0.602  -6.278 -13.330
  219    H    GLY  23           H        GLY  23   4.205  -2.576 -16.257
  220   1HA   GLY  23          1HA       GLY  23   6.669  -0.970 -16.472
  221   2HA   GLY  23          2HA       GLY  23   5.192  -0.774 -17.416
  222    H    GLY  24           H        GLY  24   5.852  -0.637 -13.898
  223   1HA   GLY  24          1HA       GLY  24   4.217   1.874 -13.715
  224   2HA   GLY  24          2HA       GLY  24   4.358   0.649 -12.479
  225    HA   PRO  25           HA       PRO  25   8.384   3.341 -12.361
  226   1HB   PRO  25          2HB       PRO  25   8.036   6.029 -12.764
  227   2HB   PRO  25          3HB       PRO  25   8.372   4.882 -14.096
  228   1HG   PRO  25          2HG       PRO  25   5.677   5.947 -13.194
  229   2HG   PRO  25          3HG       PRO  25   6.335   5.879 -14.861
  230   1HD   PRO  25          2HD       PRO  25   4.646   3.979 -13.885
  231   2HD   PRO  25          3HD       PRO  25   5.978   3.544 -14.999
  232    H    HIS  26           H        HIS  26   9.088   4.246 -10.435
  233    HA   HIS  26           HA       HIS  26   7.304   4.532  -8.199
  234   1HB   HIS  26          2HB       HIS  26  10.141   5.554  -8.458
  235   2HB   HIS  26          3HB       HIS  26   9.256   5.198  -6.969
  236    HD1  HIS  26           HD1      HIS  26   8.846   2.413  -6.578
  237    HD2  HIS  26           HD2      HIS  26  11.791   3.780  -9.242
  238    HE1  HIS  26           HE1      HIS  26  10.396   0.433  -7.020
  239    H    LYS  27           H        LYS  27   5.799   6.001  -8.663
  240    HA   LYS  27           HA       LYS  27   6.182   8.657  -9.739
  241   1HB   LYS  27          2HB       LYS  27   4.317   6.953 -10.061
  242   2HB   LYS  27          3HB       LYS  27   3.766   7.312  -8.441
  243   1HG   LYS  27          2HG       LYS  27   3.373   9.728  -9.260
  244   2HG   LYS  27          3HG       LYS  27   3.787   9.133 -10.885
  245   1HD   LYS  27          2HD       LYS  27   2.007   7.328 -10.578
  246   2HD   LYS  27          3HD       LYS  27   1.559   8.124  -9.058
  247   1HE   LYS  27          2HE       LYS  27   1.149  10.238 -10.407
  248   2HE   LYS  27          3HE       LYS  27   1.369   9.264 -11.875
  249   1HZ   LYS  27          1HZ       LYS  27  -0.634   8.878  -9.734
  250   2HZ   LYS  27          2HZ       LYS  27  -0.975   9.341 -11.274
  251   3HZ   LYS  27          3HZ       LYS  27  -0.465   7.800 -10.933
  252    H    VAL  28           H        VAL  28   3.881   9.073  -7.359
  253    HA   VAL  28           HA       VAL  28   5.529  10.745  -5.615
  254    HB   VAL  28           HB       VAL  28   2.775   9.617  -5.083
  255   1HG1  VAL  28          1HG1      VAL  28   4.243  11.981  -3.848
  256   2HG1  VAL  28          2HG1      VAL  28   2.541  11.574  -3.563
  257   3HG1  VAL  28          3HG1      VAL  28   3.805  10.466  -3.027
  258   1HG2  VAL  28          1HG2      VAL  28   2.717  10.970  -7.148
  259   2HG2  VAL  28          2HG2      VAL  28   1.921  11.824  -5.833
  260   3HG2  VAL  28          3HG2      VAL  28   3.566  12.289  -6.311
  261    H    GLY  29           H        GLY  29   4.297   7.391  -5.531
  262   1HA   GLY  29          1HA       GLY  29   6.323   6.726  -3.444
  263   2HA   GLY  29          2HA       GLY  29   4.693   6.039  -3.413
  264    HA   PRO  30           HA       PRO  30   7.584   3.470  -6.049
  265   1HB   PRO  30          2HB       PRO  30   7.828   1.177  -4.558
  266   2HB   PRO  30          3HB       PRO  30   8.789   2.648  -4.206
  267   1HG   PRO  30          2HG       PRO  30   6.168   1.793  -2.927
  268   2HG   PRO  30          3HG       PRO  30   7.698   2.260  -2.120
  269   1HD   PRO  30          2HD       PRO  30   5.691   4.050  -2.488
  270   2HD   PRO  30          3HD       PRO  30   7.385   4.544  -2.619
  271    H    ASN  31           H        ASN  31   7.187   1.129  -6.911
  272    HA   ASN  31           HA       ASN  31   4.417   0.799  -7.707
  273   1HB   ASN  31          2HB       ASN  31   6.674   0.327  -8.968
  274   2HB   ASN  31          3HB       ASN  31   6.694  -1.188  -8.056
  275   1HD2  ASN  31          2HD2      ASN  31   6.334  -0.464 -11.024
  276   2HD2  ASN  31          1HD2      ASN  31   4.860  -1.357 -11.416
  277    H    LEU  32           H        LEU  32   3.164  -1.167  -7.262
  278    HA   LEU  32           HA       LEU  32   3.655  -2.233  -4.505
  279   1HB   LEU  32          2HB       LEU  32   1.048  -1.569  -5.903
  280   2HB   LEU  32          3HB       LEU  32   1.190  -2.281  -4.315
  281    HG   LEU  32           HG       LEU  32   2.123   0.512  -5.081
  282   1HD1  LEU  32          1HD1      LEU  32  -0.130  -0.497  -3.301
  283   2HD1  LEU  32          2HD1      LEU  32   0.301   1.198  -3.544
  284   3HD1  LEU  32          3HD1      LEU  32  -0.317   0.246  -4.911
  285   1HD2  LEU  32          1HD2      LEU  32   3.592  -0.354  -3.306
  286   2HD2  LEU  32          2HD2      LEU  32   2.485   0.848  -2.647
  287   3HD2  LEU  32          3HD2      LEU  32   2.179  -0.875  -2.360
  288    H    HIS  33           H        HIS  33   3.529  -3.485  -7.674
  289    HA   HIS  33           HA       HIS  33   2.325  -6.049  -6.869
  290   1HB   HIS  33          2HB       HIS  33   2.734  -6.855  -9.004
  291   2HB   HIS  33          3HB       HIS  33   2.065  -5.249  -9.148
  292    HD1  HIS  33           HD1      HIS  33   4.083  -3.262  -9.881
  293    HD2  HIS  33           HD2      HIS  33   4.927  -7.384 -10.294
  294    HE1  HIS  33           HE1      HIS  33   6.119  -3.472 -11.387
  295    H    GLY  34           H        GLY  34   3.318  -7.171  -5.553
  296   1HA   GLY  34          1HA       GLY  34   5.112  -8.894  -5.206
  297   2HA   GLY  34          2HA       GLY  34   6.297  -7.692  -5.691
  298    H    ILE  35           H        ILE  35   4.164  -6.060  -3.725
  299    HA   ILE  35           HA       ILE  35   5.964  -5.818  -1.531
  300    HB   ILE  35           HB       ILE  35   4.118  -4.638  -0.386
  301   1HG1  ILE  35          2HG1      ILE  35   2.403  -5.704  -2.675
  302   2HG1  ILE  35          3HG1      ILE  35   2.181  -5.911  -0.948
  303   1HG2  ILE  35          1HG2      ILE  35   4.479  -3.906  -3.319
  304   2HG2  ILE  35          2HG2      ILE  35   3.985  -2.800  -2.016
  305   3HG2  ILE  35          3HG2      ILE  35   5.586  -3.509  -2.006
  306   1HD1  ILE  35          1HD1      ILE  35   1.806  -3.343  -2.509
  307   2HD1  ILE  35          2HD1      ILE  35   0.557  -4.341  -1.756
  308   3HD1  ILE  35          3HD1      ILE  35   1.723  -3.466  -0.744
  309    H    PHE  36           H        PHE  36   3.199  -7.983  -1.926
  310    HA   PHE  36           HA       PHE  36   2.929  -8.734   0.783
  311   1HB   PHE  36          2HB       PHE  36   2.046 -10.066  -1.789
  312   2HB   PHE  36          3HB       PHE  36   1.730 -10.767  -0.202
  313    HD1  PHE  36           HD1      PHE  36   0.603  -9.350   1.601
  314    HD2  PHE  36           HD2      PHE  36   0.593  -8.240  -2.574
  315    HE1  PHE  36           HE1      PHE  36  -1.107  -7.657   2.053
  316    HE2  PHE  36           HE2      PHE  36  -1.141  -6.538  -2.108
  317    HZ   PHE  36           HZ       PHE  36  -1.953  -6.195   0.258
  318    H    GLY  37           H        GLY  37   4.268  -9.589   2.051
  319   1HA   GLY  37          1HA       GLY  37   5.694 -11.294   2.922
  320   2HA   GLY  37          2HA       GLY  37   5.942 -11.935   1.302
  321    H    ARG  38           H        ARG  38   6.422  -8.492   1.569
  322    HA   ARG  38           HA       ARG  38   9.365  -8.826   2.047
  323   1HB   ARG  38          2HB       ARG  38   8.025  -7.671  -0.287
  324   2HB   ARG  38          3HB       ARG  38   8.862  -6.416   0.591
  325   1HG   ARG  38          2HG       ARG  38  10.491  -7.244  -0.916
  326   2HG   ARG  38          3HG       ARG  38  10.914  -7.933   0.650
  327   1HD   ARG  38          2HD       ARG  38   9.270  -9.905  -0.237
  328   2HD   ARG  38          3HD       ARG  38   9.677  -9.187  -1.782
  329    HE   ARG  38           HE       ARG  38  11.991  -9.751  -1.447
  330   1HH1  ARG  38          1HH2      ARG  38  10.004 -11.036   1.188
  331   2HH1  ARG  38          2HH2      ARG  38  11.288 -11.994   1.816
  332   1HH2  ARG  38          1HH1      ARG  38  13.612 -11.013  -0.568
  333   2HH2  ARG  38          2HH1      ARG  38  13.268 -12.052   0.786
  334    H    HIS  39           H        HIS  39  10.342  -6.585   2.562
  335    HA   HIS  39           HA       HIS  39   8.883  -5.809   5.028
  336   1HB   HIS  39          2HB       HIS  39  11.822  -5.519   4.288
  337   2HB   HIS  39          3HB       HIS  39  11.061  -4.945   5.776
  338    HD1  HIS  39           HD1      HIS  39  13.014  -7.760   4.863
  339    HD2  HIS  39           HD2      HIS  39   9.627  -6.949   7.146
  340    HE1  HIS  39           HE1      HIS  39  12.654  -9.833   6.354
  341    H    SER  40           H        SER  40   8.620  -3.542   5.574
  342    HA   SER  40           HA       SER  40   8.205  -1.753   3.502
  343   1HB   SER  40          2HB       SER  40   7.808  -0.028   5.111
  344   2HB   SER  40          3HB       SER  40   7.153  -1.562   5.694
  345    HG   SER  40           HG       SER  40   9.424  -0.130   6.566
  346    H    GLY  41           H        GLY  41   9.319  -0.560   2.282
  347   1HA   GLY  41          1HA       GLY  41  11.108   0.921   1.567
  348   2HA   GLY  41          2HA       GLY  41  12.022   0.527   3.020
  349    H    GLN  42           H        GLN  42  11.239  -0.413  -0.231
  350    HA   GLN  42           HA       GLN  42  13.034  -2.803  -0.107
  351   1HB   GLN  42          2HB       GLN  42  10.695  -2.189  -1.941
  352   2HB   GLN  42          3HB       GLN  42  11.650  -3.679  -1.938
  353   1HG   GLN  42          2HG       GLN  42  10.838  -4.228   0.305
  354   2HG   GLN  42          3HG       GLN  42  10.003  -2.666   0.431
  355   1HE2  GLN  42          2HE2      GLN  42   8.018  -2.407  -0.595
  356   2HE2  GLN  42          1HE2      GLN  42   7.317  -3.808  -1.469
  357    H    ALA  43           H        ALA  43  11.982  -0.404  -2.585
  358    HA   ALA  43           HA       ALA  43  13.698  -1.507  -4.534
  359   1HB   ALA  43          1HB       ALA  43  12.296   1.200  -4.491
  360   2HB   ALA  43          2HB       ALA  43  12.930   0.371  -5.923
  361   3HB   ALA  43          3HB       ALA  43  11.585  -0.346  -5.010
  362    H    GLU  44           H        GLU  44  15.893  -1.521  -4.255
  363    HA   GLU  44           HA       GLU  44  17.660   0.261  -3.203
  364   1HB   GLU  44          2HB       GLU  44  17.969  -1.414  -5.720
  365   2HB   GLU  44          3HB       GLU  44  19.317  -0.689  -4.833
  366   1HG   GLU  44          2HG       GLU  44  18.854  -2.032  -2.867
  367   2HG   GLU  44          3HG       GLU  44  17.364  -2.662  -3.574
  368    H    GLY  45           H        GLY  45  15.980   0.872  -6.169
  369   1HA   GLY  45          1HA       GLY  45  17.807   3.071  -7.006
  370   2HA   GLY  45          2HA       GLY  45  16.498   2.385  -7.955
  371    H    TYR  46           H        TYR  46  15.312   3.059  -4.794
  372    HA   TYR  46           HA       TYR  46  14.472   5.830  -5.534
  373   1HB   TYR  46          2HB       TYR  46  12.865   4.208  -6.497
  374   2HB   TYR  46          3HB       TYR  46  12.473   3.698  -4.857
  375    HD1  TYR  46           HD1      TYR  46  12.162   6.389  -7.371
  376    HD2  TYR  46           HD2      TYR  46  11.489   5.339  -3.271
  377    HE1  TYR  46           HE1      TYR  46  10.413   8.155  -7.229
  378    HE2  TYR  46           HE2      TYR  46   9.722   7.103  -3.095
  379    HH   TYR  46           HH       TYR  46   8.544   8.820  -5.982
  380    H    SER  47           H        SER  47  14.513   7.184  -3.949
  381    HA   SER  47           HA       SER  47  15.142   6.542  -1.244
  382   1HB   SER  47          2HB       SER  47  14.067   9.144  -2.391
  383   2HB   SER  47          3HB       SER  47  14.904   8.935  -0.840
  384    HG   SER  47           HG       SER  47  16.751   8.294  -2.001
  385    H    TYR  48           H        TYR  48  13.696   5.380  -0.113
  386    HA   TYR  48           HA       TYR  48  10.963   6.320   0.477
  387   1HB   TYR  48          2HB       TYR  48  12.832   4.288   1.757
  388   2HB   TYR  48          3HB       TYR  48  11.222   4.612   2.349
  389    HD1  TYR  48           HD1      TYR  48   9.304   3.640   1.356
  390    HD2  TYR  48           HD2      TYR  48  13.120   3.304  -0.621
  391    HE1  TYR  48           HE1      TYR  48   8.423   1.808  -0.035
  392    HE2  TYR  48           HE2      TYR  48  12.178   1.619  -2.147
  393    HH   TYR  48           HH       TYR  48   9.049   0.063  -1.471
  394    H    THR  49           H        THR  49  10.534   6.786   2.942
  395    HA   THR  49           HA       THR  49  12.571   8.601   4.130
  396    HB   THR  49           HB       THR  49  11.318   8.451   6.234
  397    HG1  THR  49           1HG      THR  49   9.257   7.117   4.845
  398   1HG2  THR  49          1HG2      THR  49   9.674   9.206   3.833
  399   2HG2  THR  49          2HG2      THR  49   9.325   9.675   5.505
  400   3HG2  THR  49          3HG2      THR  49  10.806  10.245   4.715
  401    H    ASP  50           H        ASP  50  13.966   8.176   5.762
  402    HA   ASP  50           HA       ASP  50  14.965   5.622   6.453
  403   1HB   ASP  50          2HB       ASP  50  16.172   7.643   7.005
  404   2HB   ASP  50          3HB       ASP  50  14.839   8.226   8.014
  405    H    ALA  51           H        ALA  51  12.440   7.574   8.136
  406    HA   ALA  51           HA       ALA  51  11.757   5.866  10.177
  407   1HB   ALA  51          1HB       ALA  51   9.856   7.584   8.515
  408   2HB   ALA  51          2HB       ALA  51   9.565   6.995  10.165
  409   3HB   ALA  51          3HB       ALA  51  10.870   8.151   9.861
  410    H    ASN  52           H        ASN  52  10.569   5.593   6.822
  411    HA   ASN  52           HA       ASN  52   8.913   3.253   7.334
  412   1HB   ASN  52          2HB       ASN  52   8.404   4.798   5.523
  413   2HB   ASN  52          3HB       ASN  52   9.976   4.522   4.774
  414   1HD2  ASN  52          2HD2      ASN  52  10.254   2.677   3.463
  415   2HD2  ASN  52          1HD2      ASN  52   8.884   1.594   3.161
  416    H    ILE  53           H        ILE  53  12.213   3.691   6.064
  417    HA   ILE  53           HA       ILE  53  12.726   0.885   5.536
  418    HB   ILE  53           HB       ILE  53  14.563   3.214   6.097
  419   1HG1  ILE  53          2HG1      ILE  53  14.124   1.840   3.406
  420   2HG1  ILE  53          3HG1      ILE  53  13.118   3.183   3.932
  421   1HG2  ILE  53          1HG2      ILE  53  15.306   0.414   5.121
  422   2HG2  ILE  53          2HG2      ILE  53  16.415   1.798   5.092
  423   3HG2  ILE  53          3HG2      ILE  53  15.838   1.193   6.628
  424   1HD1  ILE  53          1HD1      ILE  53  16.139   3.328   3.552
  425   2HD1  ILE  53          2HD1      ILE  53  14.911   4.007   2.491
  426   3HD1  ILE  53          3HD1      ILE  53  15.100   4.649   4.132
  427    H    LYS  54           H        LYS  54  13.789   2.934   8.258
  428    HA   LYS  54           HA       LYS  54  14.812   0.913   9.932
  429   1HB   LYS  54          2HB       LYS  54  13.590   3.659  10.387
  430   2HB   LYS  54          3HB       LYS  54  14.013   2.702  11.782
  431   1HG   LYS  54          2HG       LYS  54  16.098   3.059   9.623
  432   2HG   LYS  54          3HG       LYS  54  15.701   4.393  10.691
  433   1HD   LYS  54          2HD       LYS  54  17.624   3.202  11.504
  434   2HD   LYS  54          3HD       LYS  54  16.320   3.160  12.676
  435   1HE   LYS  54          2HE       LYS  54  16.807   0.868  10.728
  436   2HE   LYS  54          3HE       LYS  54  17.758   1.024  12.204
  437   1HZ   LYS  54          1HZ       LYS  54  14.793   0.747  12.150
  438   2HZ   LYS  54          2HZ       LYS  54  15.837  -0.428  12.547
  439   3HZ   LYS  54          3HZ       LYS  54  15.706   0.911  13.501
  440    H    LYS  55           H        LYS  55  11.634   1.293   9.005
  441    HA   LYS  55           HA       LYS  55  10.476  -0.053  11.413
  442   1HB   LYS  55          2HB       LYS  55   9.248   1.758   9.846
  443   2HB   LYS  55          3HB       LYS  55   8.880   0.342   8.887
  444   1HG   LYS  55          2HG       LYS  55   7.032   0.529  10.300
  445   2HG   LYS  55          3HG       LYS  55   8.009  -0.706  11.108
  446   1HD   LYS  55          2HD       LYS  55   9.011   1.247  12.498
  447   2HD   LYS  55          3HD       LYS  55   7.735   2.255  11.823
  448   1HE   LYS  55          2HE       LYS  55   7.357  -0.296  13.464
  449   2HE   LYS  55          3HE       LYS  55   7.195   1.355  14.077
  450   1HZ   LYS  55          1HZ       LYS  55   5.484   0.142  11.976
  451   2HZ   LYS  55          2HZ       LYS  55   5.025   0.442  13.517
  452   3HZ   LYS  55          3HZ       LYS  55   5.368   1.692  12.509
  453    H    ASN  56           H        ASN  56  11.333  -0.798   8.081
  454    HA   ASN  56           HA       ASN  56  10.914  -2.676   6.775
  455   1HB   ASN  56          2HB       ASN  56  13.225  -2.682   8.361
  456   2HB   ASN  56          3HB       ASN  56  12.610  -4.310   8.528
  457   1HD2  ASN  56          2HD2      ASN  56  12.489  -2.126   5.522
  458   2HD2  ASN  56          1HD2      ASN  56  13.559  -3.240   4.695
  459    H    VAL  57           H        VAL  57   8.654  -2.396   7.792
  460    HA   VAL  57           HA       VAL  57   7.739  -4.696   9.309
  461    HB   VAL  57           HB       VAL  57   6.643  -2.174   8.784
  462   1HG1  VAL  57          1HG1      VAL  57   4.741  -4.176   7.508
  463   2HG1  VAL  57          2HG1      VAL  57   4.418  -2.483   7.906
  464   3HG1  VAL  57          3HG1      VAL  57   5.594  -2.873   6.655
  465   1HG2  VAL  57          1HG2      VAL  57   6.376  -3.452  10.812
  466   2HG2  VAL  57          2HG2      VAL  57   4.754  -3.162  10.151
  467   3HG2  VAL  57          3HG2      VAL  57   5.505  -4.740   9.953
  468    H    LEU  58           H        LEU  58   7.225  -6.639   8.689
  469    HA   LEU  58           HA       LEU  58   7.329  -7.401   5.930
  470   1HB   LEU  58          2HB       LEU  58   7.773  -8.914   7.926
  471   2HB   LEU  58          3HB       LEU  58   6.025  -8.917   8.206
  472    HG   LEU  58           HG       LEU  58   5.785  -9.740   5.780
  473   1HD1  LEU  58          1HD1      LEU  58   8.758 -10.283   6.117
  474   2HD1  LEU  58          2HD1      LEU  58   7.718 -10.977   4.849
  475   3HD1  LEU  58          3HD1      LEU  58   8.001  -9.232   4.904
  476   1HD2  LEU  58          1HD2      LEU  58   5.596 -11.213   7.822
  477   2HD2  LEU  58          2HD2      LEU  58   6.239 -12.078   6.428
  478   3HD2  LEU  58          3HD2      LEU  58   7.337 -11.537   7.727
  479    H    TRP  59           H        TRP  59   5.961  -6.680   4.541
  480    HA   TRP  59           HA       TRP  59   3.275  -5.871   5.014
  481   1HB   TRP  59          2HB       TRP  59   4.789  -6.491   2.482
  482   2HB   TRP  59          3HB       TRP  59   3.153  -5.835   2.462
  483    HD1  TRP  59           HD1      TRP  59   6.320  -4.580   1.760
  484    HE1  TRP  59           HE1      TRP  59   6.614  -2.065   2.352
  485    HE3  TRP  59           HE3      TRP  59   2.390  -4.009   4.998
  486    HZ2  TRP  59           HZ2      TRP  59   5.573  -0.251   4.259
  487    HZ3  TRP  59           HZ3      TRP  59   2.061  -1.931   6.205
  488    HH2  TRP  59           HH2      TRP  59   3.647   0.013   5.871
  489    H    ASP  60           H        ASP  60   2.720  -7.715   6.241
  490    HA   ASP  60           HA       ASP  60   1.316  -9.929   4.890
  491   1HB   ASP  60          2HB       ASP  60   0.435  -8.873   7.571
  492   2HB   ASP  60          3HB       ASP  60   0.543 -10.525   7.008
  493    H    GLU  61           H        GLU  61  -1.056  -9.901   4.403
  494    HA   GLU  61           HA       GLU  61  -2.234  -7.393   3.799
  495   1HB   GLU  61          2HB       GLU  61  -4.415  -8.594   3.730
  496   2HB   GLU  61          3HB       GLU  61  -3.150  -9.214   2.698
  497   1HG   GLU  61          2HG       GLU  61  -3.484 -10.552   5.368
  498   2HG   GLU  61          3HG       GLU  61  -4.739 -10.799   4.160
  499    H    ASN  62           H        ASN  62  -2.601  -9.196   6.804
  500    HA   ASN  62           HA       ASN  62  -4.482  -7.366   8.029
  501   1HB   ASN  62          2HB       ASN  62  -2.614  -9.539   9.035
  502   2HB   ASN  62          3HB       ASN  62  -3.403  -8.449  10.167
  503   1HD2  ASN  62          2HD2      ASN  62  -3.924 -11.350   8.311
  504   2HD2  ASN  62          1HD2      ASN  62  -5.646 -11.367   8.686
  505    H    ASN  63           H        ASN  63  -0.904  -7.474   8.145
  506    HA   ASN  63           HA       ASN  63  -0.553  -5.248   9.951
  507   1HB   ASN  63          2HB       ASN  63   0.932  -7.224   9.453
  508   2HB   ASN  63          3HB       ASN  63   1.266  -6.566   7.851
  509   1HD2  ASN  63          2HD2      ASN  63   3.163  -7.325   9.541
  510   2HD2  ASN  63          1HD2      ASN  63   4.098  -5.889   9.969
  511    H    MET  64           H        MET  64  -0.408  -5.547   6.377
  512    HA   MET  64           HA       MET  64  -0.046  -2.769   5.785
  513   1HB   MET  64          2HB       MET  64   0.136  -4.729   4.162
  514   2HB   MET  64          3HB       MET  64  -1.609  -4.806   4.197
  515   1HG   MET  64          2HG       MET  64  -1.698  -2.429   3.394
  516   2HG   MET  64          3HG       MET  64   0.064  -2.438   3.287
  517   1HE   MET  64          1HE       MET  64   0.501  -5.523   2.214
  518   2HE   MET  64          2HE       MET  64   0.663  -5.159   0.509
  519   3HE   MET  64          3HE       MET  64   1.420  -4.083   1.708
  520    H    SER  65           H        SER  65  -3.082  -4.670   6.353
  521    HA   SER  65           HA       SER  65  -4.953  -2.670   5.786
  522   1HB   SER  65          2HB       SER  65  -5.418  -5.085   6.504
  523   2HB   SER  65          3HB       SER  65  -5.231  -4.515   8.172
  524    HG   SER  65           HG       SER  65  -7.281  -4.105   7.891
  525    H    GLU  66           H        GLU  66  -3.172  -3.127   8.886
  526    HA   GLU  66           HA       GLU  66  -4.348  -0.880  10.202
  527   1HB   GLU  66          2HB       GLU  66  -3.191  -2.818  11.321
  528   2HB   GLU  66          3HB       GLU  66  -1.670  -2.240  10.687
  529   1HG   GLU  66          2HG       GLU  66  -1.926  -1.620  13.028
  530   2HG   GLU  66          3HG       GLU  66  -1.759  -0.214  11.992
  531    H    TYR  67           H        TYR  67  -1.282  -1.179   8.385
  532    HA   TYR  67           HA       TYR  67  -0.447   1.536   8.623
  533   1HB   TYR  67          2HB       TYR  67   0.970  -0.273   7.744
  534   2HB   TYR  67          3HB       TYR  67  -0.054  -0.414   6.322
  535    HD1  TYR  67           HD1      TYR  67   0.827   0.576   4.366
  536    HD2  TYR  67           HD2      TYR  67   1.704   2.264   8.204
  537    HE1  TYR  67           HE1      TYR  67   2.296   2.261   3.278
  538    HE2  TYR  67           HE2      TYR  67   3.123   4.044   7.113
  539    HH   TYR  67           HH       TYR  67   3.954   3.791   3.723
  540    H    LEU  68           H        LEU  68  -2.711   0.076   6.291
  541    HA   LEU  68           HA       LEU  68  -3.282   2.600   4.909
  542   1HB   LEU  68          2HB       LEU  68  -4.735  -0.070   4.955
  543   2HB   LEU  68          3HB       LEU  68  -5.076   1.255   3.838
  544    HG   LEU  68           HG       LEU  68  -2.451  -0.303   3.949
  545   1HD1  LEU  68          1HD1      LEU  68  -4.690  -0.355   1.902
  546   2HD1  LEU  68          2HD1      LEU  68  -3.165  -1.263   1.834
  547   3HD1  LEU  68          3HD1      LEU  68  -4.345  -1.638   3.094
  548   1HD2  LEU  68          1HD2      LEU  68  -1.992   1.916   3.219
  549   2HD2  LEU  68          2HD2      LEU  68  -1.926   0.809   1.859
  550   3HD2  LEU  68          3HD2      LEU  68  -3.345   1.873   2.057
  551    H    THR  69           H        THR  69  -4.200   1.391   7.906
  552    HA   THR  69           HA       THR  69  -6.806   2.747   8.099
  553    HB   THR  69           HB       THR  69  -5.259   1.016   9.959
  554    HG1  THR  69           1HG      THR  69  -6.199  -0.123   8.425
  555   1HG2  THR  69          1HG2      THR  69  -8.046   2.024  10.433
  556   2HG2  THR  69          2HG2      THR  69  -7.117   0.878  11.418
  557   3HG2  THR  69          3HG2      THR  69  -6.587   2.564  11.346
  558    H    ASN  70           H        ASN  70  -3.488   3.190   9.353
  559    HA   ASN  70           HA       ASN  70  -3.883   6.042   9.136
  560   1HB   ASN  70          2HB       ASN  70  -4.866   5.604  11.421
  561   2HB   ASN  70          3HB       ASN  70  -3.277   5.090  11.958
  562   1HD2  ASN  70          2HD2      ASN  70  -5.255   7.623  12.270
  563   2HD2  ASN  70          1HD2      ASN  70  -4.060   8.916  12.159
  564    HA   PRO  71           HA       PRO  71   0.297   4.390   8.288
  565   1HB   PRO  71          2HB       PRO  71   1.139   6.123   6.328
  566   2HB   PRO  71          3HB       PRO  71   0.013   4.767   6.029
  567   1HG   PRO  71          2HG       PRO  71  -0.683   7.666   6.595
  568   2HG   PRO  71          3HG       PRO  71  -1.250   6.639   5.258
  569   1HD   PRO  71          2HD       PRO  71  -2.746   6.980   7.497
  570   2HD   PRO  71          3HD       PRO  71  -2.654   5.361   6.738
  571    H    LYS  72           H        LYS  72  -0.464   7.770   9.014
  572    HA   LYS  72           HA       LYS  72   2.308   8.500   9.701
  573   1HB   LYS  72          2HB       LYS  72  -0.347   9.896   9.728
  574   2HB   LYS  72          3HB       LYS  72   0.774  10.386  10.985
  575   1HG   LYS  72          2HG       LYS  72   1.070  11.842   9.086
  576   2HG   LYS  72          3HG       LYS  72   2.525  10.897   9.373
  577   1HD   LYS  72          2HD       LYS  72   2.137  11.034   6.974
  578   2HD   LYS  72          3HD       LYS  72   1.918   9.379   7.512
  579   1HE   LYS  72          2HE       LYS  72   0.156   9.771   6.010
  580   2HE   LYS  72          3HE       LYS  72  -0.562   9.751   7.607
  581   1HZ   LYS  72          1HZ       LYS  72   0.085  12.191   6.054
  582   2HZ   LYS  72          2HZ       LYS  72  -1.376  11.516   6.193
  583   3HZ   LYS  72          3HZ       LYS  72  -0.662  12.171   7.535
  584    H    LYS  73           H        LYS  73  -0.463   7.351  11.543
  585    HA   LYS  73           HA       LYS  73   0.917   7.531  14.107
  586   1HB   LYS  73          2HB       LYS  73  -1.575   7.369  13.783
  587   2HB   LYS  73          3HB       LYS  73  -1.398   5.668  13.352
  588   1HG   LYS  73          2HG       LYS  73  -0.332   6.797  15.966
  589   2HG   LYS  73          3HG       LYS  73  -2.029   6.396  15.800
  590   1HD   LYS  73          2HD       LYS  73  -1.731   4.149  15.834
  591   2HD   LYS  73          3HD       LYS  73  -0.213   4.172  14.979
  592   1HE   LYS  73          2HE       LYS  73  -0.621   4.872  17.922
  593   2HE   LYS  73          3HE       LYS  73   0.077   3.385  17.273
  594   1HZ   LYS  73          1HZ       LYS  73   1.252   6.098  17.116
  595   2HZ   LYS  73          2HZ       LYS  73   1.894   4.780  17.864
  596   3HZ   LYS  73          3HZ       LYS  73   1.803   4.870  16.209
  597    H    TYR  74           H        TYR  74   0.671   5.008  11.614
  598    HA   TYR  74           HA       TYR  74   2.140   3.024  13.083
  599   1HB   TYR  74          2HB       TYR  74   0.536   2.860  11.011
  600   2HB   TYR  74          3HB       TYR  74   1.991   3.166  10.081
  601    HD1  TYR  74           HD1      TYR  74   3.688   1.342   9.854
  602    HD2  TYR  74           HD2      TYR  74   0.240   0.891  12.421
  603    HE1  TYR  74           HE1      TYR  74   4.209  -1.059  10.141
  604    HE2  TYR  74           HE2      TYR  74   0.783  -1.527  12.700
  605    HH   TYR  74           HH       TYR  74   2.650  -3.276  10.868
  606    H    ILE  75           H        ILE  75   3.165   5.442  10.663
  607    HA   ILE  75           HA       ILE  75   6.023   5.055  11.378
  608    HB   ILE  75           HB       ILE  75   5.006   5.494   8.566
  609   1HG1  ILE  75          2HG1      ILE  75   5.900   2.916   9.901
  610   2HG1  ILE  75          3HG1      ILE  75   4.326   3.301   9.187
  611   1HG2  ILE  75          1HG2      ILE  75   7.772   4.782   9.671
  612   2HG2  ILE  75          2HG2      ILE  75   7.370   5.094   7.968
  613   3HG2  ILE  75          3HG2      ILE  75   7.288   6.404   9.130
  614   1HD1  ILE  75          1HD1      ILE  75   6.902   2.764   7.727
  615   2HD1  ILE  75          2HD1      ILE  75   5.369   1.900   7.625
  616   3HD1  ILE  75          3HD1      ILE  75   5.504   3.536   6.942
  617    HA   PRO  76           HA       PRO  76   4.728   9.442  11.969
  618   1HB   PRO  76          2HB       PRO  76   6.546  10.112  13.910
  619   2HB   PRO  76          3HB       PRO  76   5.012   9.251  14.238
  620   1HG   PRO  76          2HG       PRO  76   7.777   8.064  13.887
  621   2HG   PRO  76          3HG       PRO  76   6.572   7.707  15.165
  622   1HD   PRO  76          2HD       PRO  76   6.880   6.127  12.973
  623   2HD   PRO  76          3HD       PRO  76   5.259   6.408  13.687
  624    H    GLY  77           H        GLY  77   5.307  10.449  10.186
  625   1HA   GLY  77          1HA       GLY  77   6.816  12.080   9.178
  626   2HA   GLY  77          2HA       GLY  77   8.186  11.102   9.667
  627    H    THR  78           H        THR  78   5.990   8.884   8.426
  628    HA   THR  78           HA       THR  78   7.408   8.234   6.105
  629    HB   THR  78           HB       THR  78   5.819   6.711   7.012
  630    HG1  THR  78           1HG      THR  78   4.961   5.983   5.174
  631   1HG2  THR  78          1HG2      THR  78   3.559   8.461   5.958
  632   2HG2  THR  78          2HG2      THR  78   3.416   6.905   6.801
  633   3HG2  THR  78          3HG2      THR  78   3.989   8.335   7.673
  634    H    LYS  79           H        LYS  79   7.316   8.578   4.007
  635    HA   LYS  79           HA       LYS  79   6.527  11.105   2.833
  636   1HB   LYS  79          2HB       LYS  79   8.397   9.387   2.215
  637   2HB   LYS  79          3HB       LYS  79   7.149   8.491   1.390
  638   1HG   LYS  79          2HG       LYS  79   6.846  10.420  -0.172
  639   2HG   LYS  79          3HG       LYS  79   8.033  11.342   0.765
  640   1HD   LYS  79          2HD       LYS  79   9.753   9.617   0.329
  641   2HD   LYS  79          3HD       LYS  79   8.623   8.665  -0.624
  642   1HE   LYS  79          2HE       LYS  79   9.225  11.560  -1.307
  643   2HE   LYS  79          3HE       LYS  79  10.360  10.281  -1.763
  644   1HZ   LYS  79          1HZ       LYS  79   7.504  10.132  -2.612
  645   2HZ   LYS  79          2HZ       LYS  79   8.663  10.867  -3.501
  646   3HZ   LYS  79          3HZ       LYS  79   8.770   9.299  -3.183
  647    H    MET  80           H        MET  80   4.812   8.169   3.455
  648    HA   MET  80           HA       MET  80   2.713   8.486   1.473
  649   1HB   MET  80          2HB       MET  80   3.303   6.296   2.392
  650   2HB   MET  80          3HB       MET  80   2.833   6.817   4.013
  651   1HG   MET  80          2HG       MET  80   0.617   6.784   3.565
  652   2HG   MET  80          3HG       MET  80   0.803   7.214   1.872
  653   1HE   MET  80          1HE       MET  80  -1.416   5.516   1.924
  654   2HE   MET  80          2HE       MET  80  -1.264   3.775   2.231
  655   3HE   MET  80          3HE       MET  80  -1.066   4.926   3.571
  656    H    ALA  81           H        ALA  81   2.423  10.760   1.807
  657    HA   ALA  81           HA       ALA  81   1.417  11.926   4.096
  658   1HB   ALA  81          1HB       ALA  81   0.846  12.720   1.205
  659   2HB   ALA  81          2HB       ALA  81   0.739  13.797   2.610
  660   3HB   ALA  81          3HB       ALA  81   2.313  13.140   2.122
  661    H    PHE  82           H        PHE  82  -0.161   9.682   2.656
  662    HA   PHE  82           HA       PHE  82  -2.923  10.229   2.347
  663   1HB   PHE  82          2HB       PHE  82  -1.733   8.230   1.553
  664   2HB   PHE  82          3HB       PHE  82  -1.476   7.706   3.206
  665    HD1  PHE  82           HD1      PHE  82  -3.033   6.217   4.244
  666    HD2  PHE  82           HD2      PHE  82  -4.197   8.419   0.709
  667    HE1  PHE  82           HE1      PHE  82  -5.036   4.814   4.033
  668    HE2  PHE  82           HE2      PHE  82  -6.223   7.011   0.529
  669    HZ   PHE  82           HZ       PHE  82  -6.606   5.178   2.176
  670    H    GLY  83           H        GLY  83  -4.771   9.494   3.624
  671   1HA   GLY  83          1HA       GLY  83  -4.622  10.585   6.338
  672   2HA   GLY  83          2HA       GLY  83  -6.075  10.149   5.448
  673    H    GLY  84           H        GLY  84  -6.196   7.605   5.084
  674   1HA   GLY  84          1HA       GLY  84  -5.664   5.494   6.529
  675   2HA   GLY  84          2HA       GLY  84  -6.198   6.522   7.859
  676    H    LEU  85           H        LEU  85  -7.234   4.509   5.260
  677    HA   LEU  85           HA       LEU  85 -10.041   5.481   5.315
  678   1HB   LEU  85          2HB       LEU  85  -8.528   3.467   3.670
  679   2HB   LEU  85          3HB       LEU  85 -10.300   3.505   3.645
  680    HG   LEU  85           HG       LEU  85  -8.588   5.927   3.000
  681   1HD1  LEU  85          1HD1      LEU  85  -9.929   4.155   0.928
  682   2HD1  LEU  85          2HD1      LEU  85  -8.686   5.419   0.713
  683   3HD1  LEU  85          3HD1      LEU  85  -8.273   3.860   1.441
  684   1HD2  LEU  85          1HD2      LEU  85 -10.930   6.470   3.546
  685   2HD2  LEU  85          2HD2      LEU  85 -10.625   6.699   1.822
  686   3HD2  LEU  85          3HD2      LEU  85 -11.496   5.252   2.376
  687    H    LYS  86           H        LYS  86 -10.109   5.124   7.544
  688    HA   LYS  86           HA       LYS  86 -10.252   2.528   8.784
  689   1HB   LYS  86          2HB       LYS  86 -11.455   5.149   9.788
  690   2HB   LYS  86          3HB       LYS  86 -11.131   3.689  10.728
  691   1HG   LYS  86          2HG       LYS  86  -8.648   4.056   9.868
  692   2HG   LYS  86          3HG       LYS  86  -9.196   5.698   9.575
  693   1HD   LYS  86          2HD       LYS  86  -8.152   5.663  11.706
  694   2HD   LYS  86          3HD       LYS  86  -9.893   5.848  11.996
  695   1HE   LYS  86          2HE       LYS  86 -10.086   3.464  12.576
  696   2HE   LYS  86          3HE       LYS  86  -8.427   3.174  12.066
  697   1HZ   LYS  86          1HZ       LYS  86  -9.184   4.844  14.371
  698   2HZ   LYS  86          2HZ       LYS  86  -8.539   3.328  14.441
  699   3HZ   LYS  86          3HZ       LYS  86  -7.646   4.552  13.848
  700    H    LYS  87           H        LYS  87 -11.709   1.860   6.798
  701    HA   LYS  87           HA       LYS  87 -14.336   1.224   8.006
  702   1HB   LYS  87          2HB       LYS  87 -13.907   2.193   5.136
  703   2HB   LYS  87          3HB       LYS  87 -15.385   1.462   5.726
  704   1HG   LYS  87          2HG       LYS  87 -14.204   4.096   6.714
  705   2HG   LYS  87          3HG       LYS  87 -15.502   3.944   5.544
  706   1HD   LYS  87          2HD       LYS  87 -17.055   3.117   7.168
  707   2HD   LYS  87          3HD       LYS  87 -15.781   2.768   8.331
  708   1HE   LYS  87          2HE       LYS  87 -16.892   4.709   9.115
  709   2HE   LYS  87          3HE       LYS  87 -15.267   5.152   8.591
  710   1HZ   LYS  87          1HZ       LYS  87 -17.745   5.582   6.998
  711   2HZ   LYS  87          2HZ       LYS  87 -16.952   6.737   7.847
  712   3HZ   LYS  87          3HZ       LYS  87 -16.226   6.045   6.553
  713    H    GLU  88           H        GLU  88 -14.507  -0.938   8.095
  714    HA   GLU  88           HA       GLU  88 -12.596  -2.730   7.205
  715   1HB   GLU  88          2HB       GLU  88 -14.039  -4.480   7.803
  716   2HB   GLU  88          3HB       GLU  88 -14.485  -3.138   8.874
  717   1HG   GLU  88          2HG       GLU  88 -16.381  -2.614   7.278
  718   2HG   GLU  88          3HG       GLU  88 -15.923  -4.063   6.357
  719    H    LYS  89           H        LYS  89 -15.530  -1.862   5.443
  720    HA   LYS  89           HA       LYS  89 -15.425  -3.833   3.452
  721   1HB   LYS  89          2HB       LYS  89 -16.734  -1.128   3.070
  722   2HB   LYS  89          3HB       LYS  89 -17.203  -2.704   2.427
  723   1HG   LYS  89          2HG       LYS  89 -17.489  -3.397   4.906
  724   2HG   LYS  89          3HG       LYS  89 -17.488  -1.666   5.265
  725   1HD   LYS  89          2HD       LYS  89 -19.408  -1.425   3.632
  726   2HD   LYS  89          3HD       LYS  89 -19.482  -3.183   3.526
  727   1HE   LYS  89          2HE       LYS  89 -19.825  -1.535   6.084
  728   2HE   LYS  89          3HE       LYS  89 -21.143  -2.179   5.105
  729   1HZ   LYS  89          1HZ       LYS  89 -19.169  -3.787   6.660
  730   2HZ   LYS  89          2HZ       LYS  89 -20.731  -3.652   6.956
  731   3HZ   LYS  89          3HZ       LYS  89 -20.220  -4.451   5.608
  732    H    ASP  90           H        ASP  90 -14.313  -0.633   3.419
  733    HA   ASP  90           HA       ASP  90 -13.071  -0.427   0.801
  734   1HB   ASP  90          2HB       ASP  90 -13.566   1.497   2.369
  735   2HB   ASP  90          3HB       ASP  90 -12.204   0.987   3.360
  736    H    ARG  91           H        ARG  91 -11.601  -1.175   4.013
  737    HA   ARG  91           HA       ARG  91  -9.072  -2.057   3.049
  738   1HB   ARG  91          2HB       ARG  91 -10.533  -3.115   5.495
  739   2HB   ARG  91          3HB       ARG  91  -8.826  -3.318   5.175
  740   1HG   ARG  91          2HG       ARG  91 -10.101  -0.585   5.579
  741   2HG   ARG  91          3HG       ARG  91  -9.557  -1.584   6.900
  742   1HD   ARG  91          2HD       ARG  91  -7.922   0.160   6.355
  743   2HD   ARG  91          3HD       ARG  91  -7.266  -1.455   6.251
  744    HE   ARG  91           HE       ARG  91  -6.635  -0.999   4.117
  745   1HH1  ARG  91          1HH2      ARG  91  -9.361   1.157   4.719
  746   2HH1  ARG  91          2HH2      ARG  91  -9.582   1.423   2.987
  747   1HH2  ARG  91          1HH1      ARG  91  -6.835  -0.127   1.917
  748   2HH2  ARG  91          2HH1      ARG  91  -8.311   0.804   1.624
  749    H    ASN  92           H        ASN  92 -11.933  -4.106   3.576
  750    HA   ASN  92           HA       ASN  92 -10.783  -6.580   2.796
  751   1HB   ASN  92          2HB       ASN  92 -13.636  -5.534   2.630
  752   2HB   ASN  92          3HB       ASN  92 -13.190  -7.189   2.231
  753   1HD2  ASN  92          2HD2      ASN  92 -15.004  -6.272   4.320
  754   2HD2  ASN  92          1HD2      ASN  92 -14.261  -6.853   5.827
  755    H    ASP  93           H        ASP  93 -12.687  -4.308   0.722
  756    HA   ASP  93           HA       ASP  93 -12.231  -5.831  -1.676
  757   1HB   ASP  93          2HB       ASP  93 -13.306  -3.100  -1.005
  758   2HB   ASP  93          3HB       ASP  93 -12.782  -3.387  -2.654
  759    H    LEU  94           H        LEU  94 -10.509  -2.962  -0.366
  760    HA   LEU  94           HA       LEU  94  -8.783  -2.656  -2.623
  761   1HB   LEU  94          2HB       LEU  94  -9.244  -1.188  -0.358
  762   2HB   LEU  94          3HB       LEU  94  -7.709  -1.902   0.068
  763    HG   LEU  94           HG       LEU  94  -7.355   0.263  -0.834
  764   1HD1  LEU  94          1HD1      LEU  94  -6.717  -1.592  -3.152
  765   2HD1  LEU  94          2HD1      LEU  94  -5.945  -0.043  -2.756
  766   3HD1  LEU  94          3HD1      LEU  94  -5.747  -1.432  -1.671
  767   1HD2  LEU  94          1HD2      LEU  94  -9.522   0.551  -1.962
  768   2HD2  LEU  94          2HD2      LEU  94  -8.167   1.060  -2.982
  769   3HD2  LEU  94          3HD2      LEU  94  -8.977  -0.494  -3.291
  770    H    ILE  95           H        ILE  95  -8.345  -4.549   0.392
  771    HA   ILE  95           HA       ILE  95  -5.843  -5.789  -0.336
  772    HB   ILE  95           HB       ILE  95  -8.106  -6.685   1.482
  773   1HG1  ILE  95          2HG1      ILE  95  -5.248  -5.825   2.160
  774   2HG1  ILE  95          3HG1      ILE  95  -6.576  -4.679   2.071
  775   1HG2  ILE  95          1HG2      ILE  95  -5.403  -8.038   1.020
  776   2HG2  ILE  95          2HG2      ILE  95  -6.534  -8.443   2.327
  777   3HG2  ILE  95          3HG2      ILE  95  -6.999  -8.737   0.667
  778   1HD1  ILE  95          1HD1      ILE  95  -6.348  -6.990   4.036
  779   2HD1  ILE  95          2HD1      ILE  95  -6.274  -5.254   4.369
  780   3HD1  ILE  95          3HD1      ILE  95  -7.801  -5.983   3.839
  781    H    THR  96           H        THR  96  -9.217  -7.021  -0.759
  782    HA   THR  96           HA       THR  96  -8.478  -9.366  -2.142
  783    HB   THR  96           HB       THR  96 -11.065  -7.821  -2.570
  784    HG1  THR  96           1HG      THR  96 -10.825  -8.265  -0.431
  785   1HG2  THR  96          1HG2      THR  96 -10.368 -10.780  -2.886
  786   2HG2  THR  96          2HG2      THR  96 -12.002 -10.105  -2.962
  787   3HG2  THR  96          3HG2      THR  96 -10.817  -9.668  -4.198
  788    H    TYR  97           H        TYR  97  -8.831  -6.119  -3.472
  789    HA   TYR  97           HA       TYR  97  -8.189  -6.886  -6.223
  790   1HB   TYR  97          2HB       TYR  97  -9.270  -4.843  -5.929
  791   2HB   TYR  97          3HB       TYR  97  -8.192  -4.309  -4.650
  792    HD1  TYR  97           HD1      TYR  97  -6.339  -2.944  -5.136
  793    HD2  TYR  97           HD2      TYR  97  -8.191  -5.207  -8.303
  794    HE1  TYR  97           HE1      TYR  97  -4.996  -1.701  -6.810
  795    HE2  TYR  97           HE2      TYR  97  -6.883  -3.900  -9.992
  796    HH   TYR  97           HH       TYR  97  -4.673  -1.304  -8.988
  797    H    LEU  98           H        LEU  98  -6.134  -5.225  -3.732
  798    HA   LEU  98           HA       LEU  98  -3.929  -5.312  -5.520
  799   1HB   LEU  98          2HB       LEU  98  -4.560  -4.071  -3.035
  800   2HB   LEU  98          3HB       LEU  98  -3.105  -4.959  -2.703
  801    HG   LEU  98           HG       LEU  98  -3.378  -3.070  -5.087
  802   1HD1  LEU  98          1HD1      LEU  98  -2.218  -2.506  -2.324
  803   2HD1  LEU  98          2HD1      LEU  98  -2.176  -1.419  -3.736
  804   3HD1  LEU  98          3HD1      LEU  98  -3.719  -1.828  -2.989
  805   1HD2  LEU  98          1HD2      LEU  98  -1.502  -4.720  -5.207
  806   2HD2  LEU  98          2HD2      LEU  98  -0.926  -3.061  -5.025
  807   3HD2  LEU  98          3HD2      LEU  98  -0.922  -4.167  -3.634
  808    H    LYS  99           H        LYS  99  -4.775  -7.401  -2.919
  809    HA   LYS  99           HA       LYS  99  -2.504  -9.171  -2.985
  810   1HB   LYS  99          2HB       LYS  99  -4.392  -9.134  -1.278
  811   2HB   LYS  99          3HB       LYS  99  -5.379 -10.012  -2.463
  812   1HG   LYS  99          2HG       LYS  99  -3.695 -11.812  -2.503
  813   2HG   LYS  99          3HG       LYS  99  -2.655 -10.907  -1.401
  814   1HD   LYS  99          2HD       LYS  99  -4.315 -11.052   0.388
  815   2HD   LYS  99          3HD       LYS  99  -5.460 -11.885  -0.676
  816   1HE   LYS  99          2HE       LYS  99  -2.668 -12.944  -0.083
  817   2HE   LYS  99          3HE       LYS  99  -4.031 -13.316   0.964
  818   1HZ   LYS  99          1HZ       LYS  99  -4.433 -13.816  -1.892
  819   2HZ   LYS  99          2HZ       LYS  99  -3.366 -14.743  -1.271
  820   3HZ   LYS  99          3HZ       LYS  99  -4.906 -14.742  -0.631
  821    H    LYS 100           H        LYS 100  -5.568  -9.305  -4.907
  822    HA   LYS 100           HA       LYS 100  -4.568 -11.545  -6.499
  823   1HB   LYS 100          2HB       LYS 100  -7.042 -10.662  -5.984
  824   2HB   LYS 100          3HB       LYS 100  -6.859  -9.900  -7.552
  825   1HG   LYS 100          2HG       LYS 100  -6.192 -12.857  -7.255
  826   2HG   LYS 100          3HG       LYS 100  -7.842 -12.365  -7.052
  827   1HD   LYS 100          2HD       LYS 100  -7.773 -13.080  -9.225
  828   2HD   LYS 100          3HD       LYS 100  -7.848 -11.329  -9.325
  829   1HE   LYS 100          2HE       LYS 100  -6.373 -12.326 -11.047
  830   2HE   LYS 100          3HE       LYS 100  -5.519 -11.216  -9.996
  831   1HZ   LYS 100          1HZ       LYS 100  -5.304 -14.192  -9.927
  832   2HZ   LYS 100          2HZ       LYS 100  -4.082 -13.082 -10.056
  833   3HZ   LYS 100          3HZ       LYS 100  -4.788 -13.248  -8.710
  834    H    ALA 101           H        ALA 101  -4.178  -8.153  -6.808
  835    HA   ALA 101           HA       ALA 101  -3.191  -8.198  -9.577
  836   1HB   ALA 101          1HB       ALA 101  -2.869  -6.121  -7.385
  837   2HB   ALA 101          2HB       ALA 101  -2.581  -5.885  -9.126
  838   3HB   ALA 101          3HB       ALA 101  -4.224  -6.193  -8.535
  839    H    THR 102           H        THR 102  -1.931  -9.350  -6.705
  840    HA   THR 102           HA       THR 102   0.903  -9.292  -7.619
  841    HB   THR 102           HB       THR 102  -0.132  -9.687  -4.788
  842    HG1  THR 102           1HG      THR 102  -0.543  -7.627  -5.290
  843   1HG2  THR 102          1HG2      THR 102   2.640  -9.241  -5.949
  844   2HG2  THR 102          2HG2      THR 102   2.252  -9.104  -4.216
  845   3HG2  THR 102          3HG2      THR 102   2.064 -10.654  -5.046
  846    H    GLU 103           H        GLU 103  -1.819 -11.287  -6.550
  847    HA   GLU 103           HA       GLU 103  -0.510 -13.754  -7.604
  848   1HB   GLU 103          2HB       GLU 103  -1.872 -15.026  -5.904
  849   2HB   GLU 103          3HB       GLU 103  -0.507 -14.127  -5.251
  850   1HG   GLU 103          2HG       GLU 103  -1.806 -12.659  -4.072
  851   2HG   GLU 103          3HG       GLU 103  -3.109 -12.657  -5.236
  852    HHA  HEC 104           HHA      HEC 104   5.300   2.964   0.998
  853    HHB  HEC 104           HHB      HEC 104  -0.408   0.090  -0.077
  854    HHC  HEC 104           HHC      HEC 104  -3.104   5.899  -1.093
  855    HHD  HEC 104           HHD      HEC 104   2.808   8.464  -1.193
  856   1HMA  HEC 104          1HMA      HEC 104   1.893  -1.378   1.888
  857   2HMA  HEC 104          2HMA      HEC 104   1.077  -1.463   0.313
  858   3HMA  HEC 104          3HMA      HEC 104   2.816  -1.748   0.414
  859   1HAA  HEC 104          1HAA      HEC 104   4.586  -0.748   1.530
  860   2HAA  HEC 104          2HAA      HEC 104   5.236   0.816   2.024
  861   1HBA  HEC 104          1HBA      HEC 104   5.964   1.188  -0.363
  862   2HBA  HEC 104          2HBA      HEC 104   5.355  -0.410  -0.761
  863   1HMB  HEC 104          1HMB      HEC 104  -3.609   0.269  -0.126
  864   2HMB  HEC 104          2HMB      HEC 104  -3.693   0.655  -1.855
  865   3HMB  HEC 104          3HMB      HEC 104  -2.282  -0.172  -1.212
  866    HAB  HEC 104           HAB      HEC 104  -4.597   4.528  -1.031
  867   1HBB  HEC 104          1HBB      HEC 104  -5.021   3.251   0.999
  868   2HBB  HEC 104          2HBB      HEC 104  -6.389   3.257  -0.131
  869   3HBB  HEC 104          3HBB      HEC 104  -5.372   1.813   0.014
  870   1HMC  HEC 104          1HMC      HEC 104  -2.749   9.232  -0.851
  871   2HMC  HEC 104          2HMC      HEC 104  -2.379   9.168  -2.578
  872   3HMC  HEC 104          3HMC      HEC 104  -3.321   7.883  -1.847
  873    HAC  HEC 104           HAC      HEC 104   1.527   9.776  -2.045
  874   1HBC  HEC 104          1HBC      HEC 104   0.248  10.774  -0.213
  875   2HBC  HEC 104          2HBC      HEC 104   0.397  11.817  -1.642
  876   3HBC  HEC 104          3HBC      HEC 104  -1.134  10.985  -1.314
  877   1HMD  HEC 104          1HMD      HEC 104   5.443   8.680  -0.144
  878   2HMD  HEC 104          2HMD      HEC 104   6.478   7.662  -1.177
  879   3HMD  HEC 104          3HMD      HEC 104   4.946   8.296  -1.784
  880   1HAD  HEC 104          1HAD      HEC 104   7.291   6.143   0.210
  881   2HAD  HEC 104          2HAD      HEC 104   7.025   4.443   0.554
  882   1HBD  HEC 104          1HBD      HEC 104   6.482   4.833   2.808
  883   2HBD  HEC 104          2HBD      HEC 104   5.961   6.488   2.489
  Start of MODEL   28
    1   1H    THR  -5          H1        THR  -5  -9.286 -12.047  12.006
    2   2H    THR  -5          H2        THR  -5  -8.253 -10.918  12.496
    3   3H    THR  -5          H3        THR  -5  -7.693 -12.456  12.237
    4    HA   THR  -5           HA       THR  -5  -7.017 -11.008  10.467
    5    HB   THR  -5           HB       THR  -5  -8.058 -12.201   8.522
    6    HG1  THR  -5           1HG      THR  -5  -9.672 -13.443   8.840
    7   1HG2  THR  -5          1HG2      THR  -5  -7.097 -14.017  10.785
    8   2HG2  THR  -5          2HG2      THR  -5  -7.091 -14.381   9.049
    9   3HG2  THR  -5          3HG2      THR  -5  -6.042 -13.099   9.677
   10    H    GLU  -4           H        GLU  -4 -10.561 -11.340  10.390
   11    HA   GLU  -4           HA       GLU  -4 -12.261  -9.961  10.189
   12   1HB   GLU  -4          2HB       GLU  -4 -10.225  -7.838  10.898
   13   2HB   GLU  -4          3HB       GLU  -4 -11.952  -7.549  10.745
   14   1HG   GLU  -4          2HG       GLU  -4 -11.331  -7.899  13.096
   15   2HG   GLU  -4          3HG       GLU  -4 -12.475  -9.107  12.529
   16    H    PHE  -3           H        PHE  -3  -9.621  -9.336   8.157
   17    HA   PHE  -3           HA       PHE  -3 -11.071  -8.881   5.714
   18   1HB   PHE  -3          2HB       PHE  -3  -8.583  -8.970   5.908
   19   2HB   PHE  -3          3HB       PHE  -3  -8.688 -10.693   6.254
   20    HD1  PHE  -3           HD1      PHE  -3  -8.983  -8.077   3.701
   21    HD2  PHE  -3           HD2      PHE  -3  -9.300 -12.305   4.443
   22    HE1  PHE  -3           HE1      PHE  -3  -9.124  -8.494   1.260
   23    HE2  PHE  -3           HE2      PHE  -3  -9.325 -12.727   1.994
   24    HZ   PHE  -3           HZ       PHE  -3  -9.246 -10.776   0.399
   25    H    LYS  -2           H        LYS  -2 -12.771  -9.891   5.191
   26    HA   LYS  -2           HA       LYS  -2 -13.104 -12.849   5.609
   27   1HB   LYS  -2          2HB       LYS  -2 -14.512 -11.328   7.051
   28   2HB   LYS  -2          3HB       LYS  -2 -15.321 -10.764   5.601
   29   1HG   LYS  -2          2HG       LYS  -2 -15.289 -13.702   5.692
   30   2HG   LYS  -2          3HG       LYS  -2 -15.861 -13.084   7.223
   31   1HD   LYS  -2          2HD       LYS  -2 -17.813 -12.273   6.383
   32   2HD   LYS  -2          3HD       LYS  -2 -17.126 -11.795   4.827
   33   1HE   LYS  -2          2HE       LYS  -2 -17.488 -14.714   5.575
   34   2HE   LYS  -2          3HE       LYS  -2 -18.803 -13.773   4.855
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.118 -13.974   3.608
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.376 -14.966   3.183
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.429 -13.338   2.938
   38    H    ALA  -1           H        ALA  -1 -12.057 -11.191   3.387
   39    HA   ALA  -1           HA       ALA  -1 -11.864 -11.023   1.184
   40   1HB   ALA  -1          1HB       ALA  -1 -14.253 -12.853   0.804
   41   2HB   ALA  -1          2HB       ALA  -1 -13.055 -12.376  -0.405
   42   3HB   ALA  -1          3HB       ALA  -1 -12.563 -13.392   0.965
   43    H    GLY   1           H        GLY   1 -12.580  -9.702  -0.503
   44   1HA   GLY   1          1HA       GLY   1 -15.248  -8.444  -0.411
   45   2HA   GLY   1          2HA       GLY   1 -13.782  -7.494  -0.747
   46    H    SER   2           H        SER   2 -14.457  -7.072  -2.949
   47    HA   SER   2           HA       SER   2 -14.252  -9.467  -4.770
   48   1HB   SER   2          2HB       SER   2 -16.627  -8.548  -4.381
   49   2HB   SER   2          3HB       SER   2 -16.119  -7.189  -5.392
   50    HG   SER   2           HG       SER   2 -16.253  -9.948  -5.992
   51    H    ALA   3           H        ALA   3 -12.497  -9.320  -5.963
   52    HA   ALA   3           HA       ALA   3 -10.753  -7.259  -6.006
   53   1HB   ALA   3          1HB       ALA   3 -11.069  -9.285  -8.254
   54   2HB   ALA   3          2HB       ALA   3  -9.604  -8.362  -7.857
   55   3HB   ALA   3          3HB       ALA   3 -10.229  -9.554  -6.707
   56    H    LYS   4           H        LYS   4 -13.284  -7.515  -8.549
   57    HA   LYS   4           HA       LYS   4 -12.280  -5.234 -10.015
   58   1HB   LYS   4          2HB       LYS   4 -14.330  -5.255 -11.288
   59   2HB   LYS   4          3HB       LYS   4 -13.731  -6.901 -11.099
   60   1HG   LYS   4          2HG       LYS   4 -15.427  -7.352  -9.353
   61   2HG   LYS   4          3HG       LYS   4 -15.993  -5.674  -9.444
   62   1HD   LYS   4          2HD       LYS   4 -16.585  -5.996 -11.829
   63   2HD   LYS   4          3HD       LYS   4 -16.128  -7.698 -11.721
   64   1HE   LYS   4          2HE       LYS   4 -18.302  -6.324 -10.058
   65   2HE   LYS   4          3HE       LYS   4 -18.593  -7.234 -11.538
   66   1HZ   LYS   4          1HZ       LYS   4 -17.513  -8.354  -9.011
   67   2HZ   LYS   4          2HZ       LYS   4 -18.990  -8.648  -9.663
   68   3HZ   LYS   4          3HZ       LYS   4 -17.645  -9.201 -10.417
   69    H    LYS   5           H        LYS   5 -14.265  -5.420  -7.386
   70    HA   LYS   5           HA       LYS   5 -15.372  -2.650  -7.416
   71   1HB   LYS   5          2HB       LYS   5 -16.810  -4.331  -6.475
   72   2HB   LYS   5          3HB       LYS   5 -15.524  -4.976  -5.473
   73   1HG   LYS   5          2HG       LYS   5 -16.952  -3.881  -4.038
   74   2HG   LYS   5          3HG       LYS   5 -15.476  -2.913  -4.159
   75   1HD   LYS   5          2HD       LYS   5 -16.586  -1.211  -5.444
   76   2HD   LYS   5          3HD       LYS   5 -18.024  -2.234  -5.660
   77   1HE   LYS   5          2HE       LYS   5 -18.368  -0.526  -3.875
   78   2HE   LYS   5          3HE       LYS   5 -18.523  -2.195  -3.297
   79   1HZ   LYS   5          1HZ       LYS   5 -16.093  -0.535  -2.918
   80   2HZ   LYS   5          2HZ       LYS   5 -17.190  -0.930  -1.746
   81   3HZ   LYS   5          3HZ       LYS   5 -16.283  -2.084  -2.416
   82    H    GLY   6           H        GLY   6 -12.915  -4.480  -5.536
   83   1HA   GLY   6          1HA       GLY   6 -11.651  -2.251  -4.285
   84   2HA   GLY   6          2HA       GLY   6 -10.862  -3.767  -4.724
   85    H    ALA   7           H        ALA   7 -10.973  -3.663  -7.549
   86    HA   ALA   7           HA       ALA   7  -8.873  -2.019  -8.276
   87   1HB   ALA   7          1HB       ALA   7 -11.087  -2.922 -10.174
   88   2HB   ALA   7          2HB       ALA   7  -9.400  -2.568 -10.568
   89   3HB   ALA   7          3HB       ALA   7  -9.802  -3.984  -9.584
   90    H    THR   8           H        THR   8 -12.347  -1.277  -8.934
   91    HA   THR   8           HA       THR   8 -11.681   1.325 -10.013
   92    HB   THR   8           HB       THR   8 -13.736   0.057 -10.602
   93    HG1  THR   8           1HG      THR   8 -13.842   2.738  -9.730
   94   1HG2  THR   8          1HG2      THR   8 -14.872   1.243  -8.027
   95   2HG2  THR   8          2HG2      THR   8 -15.772   0.428  -9.319
   96   3HG2  THR   8          3HG2      THR   8 -14.607  -0.487  -8.347
   97    H    LEU   9           H        LEU   9 -11.982   0.318  -6.677
   98    HA   LEU   9           HA       LEU   9 -12.254   2.983  -5.623
   99   1HB   LEU   9          2HB       LEU   9 -12.894   0.618  -4.611
  100   2HB   LEU   9          3HB       LEU   9 -11.196   0.525  -4.186
  101    HG   LEU   9           HG       LEU   9 -11.926   3.089  -3.414
  102   1HD1  LEU   9          1HD1      LEU   9 -14.201   1.234  -2.673
  103   2HD1  LEU   9          2HD1      LEU   9 -13.956   2.867  -2.038
  104   3HD1  LEU   9          3HD1      LEU   9 -14.295   2.639  -3.767
  105   1HD2  LEU   9          1HD2      LEU   9 -10.516   1.632  -2.052
  106   2HD2  LEU   9          2HD2      LEU   9 -11.852   2.206  -1.064
  107   3HD2  LEU   9          3HD2      LEU   9 -11.897   0.564  -1.711
  108    H    PHE  10           H        PHE  10  -9.540   0.602  -5.888
  109    HA   PHE  10           HA       PHE  10  -7.356   2.150  -5.081
  110   1HB   PHE  10          2HB       PHE  10  -7.188  -0.230  -5.595
  111   2HB   PHE  10          3HB       PHE  10  -7.607   0.050  -7.268
  112    HD1  PHE  10           HD1      PHE  10  -5.957   0.733  -8.889
  113    HD2  PHE  10           HD2      PHE  10  -4.961   0.461  -4.710
  114    HE1  PHE  10           HE1      PHE  10  -3.556   1.006  -9.434
  115    HE2  PHE  10           HE2      PHE  10  -2.565   0.852  -5.261
  116    HZ   PHE  10           HZ       PHE  10  -1.860   1.166  -7.601
  117    H    LYS  11           H        LYS  11  -8.837   2.020  -8.244
  118    HA   LYS  11           HA       LYS  11  -7.285   3.646  -9.873
  119   1HB   LYS  11          2HB       LYS  11  -9.162   2.273 -10.573
  120   2HB   LYS  11          3HB       LYS  11 -10.287   3.299  -9.685
  121   1HG   LYS  11          2HG       LYS  11  -9.908   5.148 -11.238
  122   2HG   LYS  11          3HG       LYS  11  -8.698   4.185 -12.121
  123   1HD   LYS  11          2HD       LYS  11 -10.413   2.558 -12.776
  124   2HD   LYS  11          3HD       LYS  11 -11.590   3.301 -11.690
  125   1HE   LYS  11          2HE       LYS  11 -12.155   3.981 -13.900
  126   2HE   LYS  11          3HE       LYS  11 -11.555   5.382 -13.011
  127   1HZ   LYS  11          1HZ       LYS  11 -10.019   3.796 -15.003
  128   2HZ   LYS  11          2HZ       LYS  11 -10.603   5.313 -15.224
  129   3HZ   LYS  11          3HZ       LYS  11  -9.400   5.056 -14.137
  130    H    THR  12           H        THR  12  -9.290   4.844  -7.227
  131    HA   THR  12           HA       THR  12  -8.277   7.610  -7.811
  132    HB   THR  12           HB       THR  12 -10.316   8.495  -6.777
  133    HG1  THR  12           1HG      THR  12 -12.085   6.923  -6.708
  134   1HG2  THR  12          1HG2      THR  12 -11.040   6.653  -9.088
  135   2HG2  THR  12          2HG2      THR  12 -11.872   8.143  -8.602
  136   3HG2  THR  12          3HG2      THR  12 -10.229   8.225  -9.267
  137    H    ARG  13           H        ARG  13  -8.791   5.191  -5.347
  138    HA   ARG  13           HA       ARG  13  -8.147   7.069  -3.242
  139   1HB   ARG  13          2HB       ARG  13  -8.135   4.009  -3.262
  140   2HB   ARG  13          3HB       ARG  13  -8.007   4.961  -1.799
  141   1HG   ARG  13          2HG       ARG  13 -10.477   5.050  -3.586
  142   2HG   ARG  13          3HG       ARG  13 -10.173   3.859  -2.321
  143   1HD   ARG  13          2HD       ARG  13  -9.877   5.879  -0.752
  144   2HD   ARG  13          3HD       ARG  13 -10.727   6.784  -2.007
  145    HE   ARG  13           HE       ARG  13 -11.861   4.311  -0.651
  146   1HH1  ARG  13          1HH2      ARG  13 -12.505   7.549  -1.791
  147   2HH1  ARG  13          2HH2      ARG  13 -14.161   7.471  -1.246
  148   1HH2  ARG  13          1HH1      ARG  13 -13.897   4.220  -0.095
  149   2HH2  ARG  13          2HH1      ARG  13 -14.996   5.508  -0.475
  150    H    CYS  14           H        CYS  14  -6.200   4.951  -5.205
  151    HA   CYS  14           HA       CYS  14  -3.780   5.506  -3.511
  152   1HB   CYS  14          2HB       CYS  14  -4.344   2.989  -5.021
  153   2HB   CYS  14          3HB       CYS  14  -3.100   3.233  -3.810
  154    H    LEU  15           H        LEU  15  -4.910   4.478  -6.775
  155    HA   LEU  15           HA       LEU  15  -2.504   4.619  -8.145
  156   1HB   LEU  15          2HB       LEU  15  -4.649   3.607  -8.919
  157   2HB   LEU  15          3HB       LEU  15  -5.302   5.226  -9.155
  158    HG   LEU  15           HG       LEU  15  -3.521   5.640 -10.892
  159   1HD1  LEU  15          1HD1      LEU  15  -3.042   2.640 -10.732
  160   2HD1  LEU  15          2HD1      LEU  15  -2.303   3.786 -11.860
  161   3HD1  LEU  15          3HD1      LEU  15  -1.896   3.862 -10.146
  162   1HD2  LEU  15          1HD2      LEU  15  -5.794   4.965 -11.504
  163   2HD2  LEU  15          2HD2      LEU  15  -4.595   4.300 -12.627
  164   3HD2  LEU  15          3HD2      LEU  15  -5.324   3.250 -11.391
  165    H    GLN  16           H        GLN  16  -4.470   7.293  -7.134
  166    HA   GLN  16           HA       GLN  16  -3.447   9.445  -8.639
  167   1HB   GLN  16          2HB       GLN  16  -3.885  10.830  -6.662
  168   2HB   GLN  16          3HB       GLN  16  -5.241   9.797  -7.110
  169   1HG   GLN  16          2HG       GLN  16  -4.802   8.278  -5.262
  170   2HG   GLN  16          3HG       GLN  16  -3.281   9.092  -4.896
  171   1HE2  GLN  16          2HE2      GLN  16  -6.820   9.340  -4.524
  172   2HE2  GLN  16          1HE2      GLN  16  -6.588  10.662  -3.339
  173    H    CYS  17           H        CYS  17  -1.811   7.666  -5.996
  174    HA   CYS  17           HA       CYS  17   0.629   9.352  -6.403
  175   1HB   CYS  17          2HB       CYS  17  -0.230   7.751  -3.998
  176   2HB   CYS  17          3HB       CYS  17   1.206   8.749  -4.114
  177    H    HIS  18           H        HIS  18  -0.544   6.169  -6.825
  178    HA   HIS  18           HA       HIS  18   2.205   4.960  -6.869
  179   1HB   HIS  18          1HB       HIS  18  -0.483   3.908  -5.880
  180   2HB   HIS  18          2HB       HIS  18   0.871   2.850  -6.190
  181    HD1  HIS  18           HD1      HIS  18   3.294   3.834  -4.915
  182    HD2  HIS  18           HD2      HIS  18  -0.547   4.548  -3.333
  183    HE1  HIS  18           HE1      HIS  18   3.612   4.290  -2.432
  184    H    THR  19           H        THR  19   2.081   2.699  -7.873
  185    HA   THR  19           HA       THR  19   0.204   2.285 -10.091
  186    HB   THR  19           HB       THR  19   2.062   3.393 -11.174
  187    HG1  THR  19           1HG      THR  19   2.258   1.829 -12.742
  188   1HG2  THR  19          1HG2      THR  19   3.699   0.956 -10.352
  189   2HG2  THR  19          2HG2      THR  19   4.181   2.246 -11.473
  190   3HG2  THR  19          3HG2      THR  19   3.960   2.620  -9.767
  191    H    VAL  20           H        VAL  20   0.585   0.098 -10.943
  192    HA   VAL  20           HA       VAL  20   0.639  -1.820  -8.624
  193    HB   VAL  20           HB       VAL  20  -1.557  -0.818  -9.103
  194   1HG1  VAL  20          1HG1      VAL  20  -1.436  -2.259 -11.784
  195   2HG1  VAL  20          2HG1      VAL  20  -2.846  -1.435 -11.094
  196   3HG1  VAL  20          3HG1      VAL  20  -1.418  -0.496 -11.551
  197   1HG2  VAL  20          1HG2      VAL  20  -1.367  -3.136  -8.168
  198   2HG2  VAL  20          2HG2      VAL  20  -2.885  -2.785  -9.018
  199   3HG2  VAL  20          3HG2      VAL  20  -1.626  -3.736  -9.824
  200    H    GLU  21           H        GLU  21   1.552  -1.299 -11.777
  201    HA   GLU  21           HA       GLU  21   1.548  -4.145 -12.596
  202   1HB   GLU  21          2HB       GLU  21   1.939  -1.553 -13.995
  203   2HB   GLU  21          3HB       GLU  21   2.893  -2.814 -14.659
  204   1HG   GLU  21          2HG       GLU  21  -0.116  -2.971 -14.257
  205   2HG   GLU  21          3HG       GLU  21   0.727  -2.717 -15.795
  206    H    LYS  22           H        LYS  22   3.394  -4.759 -14.055
  207    HA   LYS  22           HA       LYS  22   5.624  -5.641 -12.353
  208   1HB   LYS  22          2HB       LYS  22   4.523  -6.134 -15.120
  209   2HB   LYS  22          3HB       LYS  22   6.216  -6.407 -14.887
  210   1HG   LYS  22          2HG       LYS  22   5.907  -8.351 -13.874
  211   2HG   LYS  22          3HG       LYS  22   4.842  -7.668 -12.672
  212   1HD   LYS  22          2HD       LYS  22   3.875  -8.398 -15.463
  213   2HD   LYS  22          3HD       LYS  22   3.896  -9.558 -14.124
  214   1HE   LYS  22          2HE       LYS  22   2.089  -8.686 -13.103
  215   2HE   LYS  22          3HE       LYS  22   2.670  -7.034 -13.306
  216   1HZ   LYS  22          1HZ       LYS  22   1.230  -8.535 -15.444
  217   2HZ   LYS  22          2HZ       LYS  22   0.676  -7.238 -14.539
  218   3HZ   LYS  22          3HZ       LYS  22   1.852  -6.975 -15.513
  219    H    GLY  23           H        GLY  23   7.145  -4.107 -11.835
  220   1HA   GLY  23          1HA       GLY  23   8.818  -2.523 -12.096
  221   2HA   GLY  23          2HA       GLY  23   8.914  -2.977 -13.793
  222    H    GLY  24           H        GLY  24   5.824  -1.910 -12.720
  223   1HA   GLY  24          1HA       GLY  24   5.555   0.190 -14.564
  224   2HA   GLY  24          2HA       GLY  24   4.557   0.001 -13.109
  225    HA   PRO  25           HA       PRO  25   8.063   3.359 -13.149
  226   1HB   PRO  25          2HB       PRO  25   6.813   5.691 -13.964
  227   2HB   PRO  25          3HB       PRO  25   7.611   4.524 -15.061
  228   1HG   PRO  25          2HG       PRO  25   4.666   4.699 -14.348
  229   2HG   PRO  25          3HG       PRO  25   5.404   4.560 -15.978
  230   1HD   PRO  25          2HD       PRO  25   4.447   2.379 -14.704
  231   2HD   PRO  25          3HD       PRO  25   5.989   2.279 -15.610
  232    H    HIS  26           H        HIS  26   8.555   4.138 -11.261
  233    HA   HIS  26           HA       HIS  26   6.780   4.636  -9.084
  234   1HB   HIS  26          2HB       HIS  26   9.575   5.747  -9.525
  235   2HB   HIS  26          3HB       HIS  26   8.726   5.543  -7.991
  236    HD1  HIS  26           HD1      HIS  26   7.908   2.337  -9.003
  237    HD2  HIS  26           HD2      HIS  26  11.626   4.253  -8.588
  238    HE1  HIS  26           HE1      HIS  26   9.626   0.525  -8.399
  239    H    LYS  27           H        LYS  27   6.412   6.634  -7.977
  240    HA   LYS  27           HA       LYS  27   6.023   9.024  -9.712
  241   1HB   LYS  27          2HB       LYS  27   4.223   7.133  -9.910
  242   2HB   LYS  27          3HB       LYS  27   3.744   7.580  -8.289
  243   1HG   LYS  27          2HG       LYS  27   3.363   9.974  -9.284
  244   2HG   LYS  27          3HG       LYS  27   3.621   9.213 -10.862
  245   1HD   LYS  27          2HD       LYS  27   1.786   7.535 -10.227
  246   2HD   LYS  27          3HD       LYS  27   1.481   8.538  -8.796
  247   1HE   LYS  27          2HE       LYS  27   1.124  10.501 -10.391
  248   2HE   LYS  27          3HE       LYS  27   1.188   9.329 -11.719
  249   1HZ   LYS  27          1HZ       LYS  27  -0.767   9.471  -9.505
  250   2HZ   LYS  27          2HZ       LYS  27  -1.094   9.602 -11.101
  251   3HZ   LYS  27          3HZ       LYS  27  -0.685   8.139 -10.435
  252    H    VAL  28           H        VAL  28   3.906   9.551  -7.495
  253    HA   VAL  28           HA       VAL  28   5.360  11.201  -5.646
  254    HB   VAL  28           HB       VAL  28   2.624   9.907  -5.352
  255   1HG1  VAL  28          1HG1      VAL  28   3.800  12.329  -3.932
  256   2HG1  VAL  28          2HG1      VAL  28   2.114  11.776  -3.811
  257   3HG1  VAL  28          3HG1      VAL  28   3.414  10.764  -3.188
  258   1HG2  VAL  28          1HG2      VAL  28   2.651  11.282  -7.378
  259   2HG2  VAL  28          2HG2      VAL  28   1.713  12.083  -6.121
  260   3HG2  VAL  28          3HG2      VAL  28   3.365  12.633  -6.470
  261    H    GLY  29           H        GLY  29   4.150   7.867  -5.474
  262   1HA   GLY  29          1HA       GLY  29   6.269   7.253  -3.465
  263   2HA   GLY  29          2HA       GLY  29   4.674   6.483  -3.396
  264    HA   PRO  30           HA       PRO  30   7.683   4.047  -6.077
  265   1HB   PRO  30          2HB       PRO  30   7.745   1.688  -4.684
  266   2HB   PRO  30          3HB       PRO  30   8.709   3.112  -4.210
  267   1HG   PRO  30          2HG       PRO  30   5.982   2.253  -3.155
  268   2HG   PRO  30          3HG       PRO  30   7.468   2.640  -2.218
  269   1HD   PRO  30          2HD       PRO  30   5.585   4.531  -2.595
  270   2HD   PRO  30          3HD       PRO  30   7.309   4.918  -2.713
  271    H    ASN  31           H        ASN  31   7.353   1.613  -6.735
  272    HA   ASN  31           HA       ASN  31   4.727   1.119  -7.945
  273   1HB   ASN  31          2HB       ASN  31   6.948   0.603  -9.015
  274   2HB   ASN  31          3HB       ASN  31   7.315  -0.502  -7.681
  275   1HD2  ASN  31          2HD2      ASN  31   5.979  -0.256 -10.798
  276   2HD2  ASN  31          1HD2      ASN  31   5.123  -1.829 -10.693
  277    H    LEU  32           H        LEU  32   3.372  -0.730  -7.316
  278    HA   LEU  32           HA       LEU  32   3.752  -1.828  -4.581
  279   1HB   LEU  32          2HB       LEU  32   1.149  -1.076  -5.946
  280   2HB   LEU  32          3HB       LEU  32   1.336  -1.805  -4.365
  281    HG   LEU  32           HG       LEU  32   2.268   0.987  -5.086
  282   1HD1  LEU  32          1HD1      LEU  32  -0.118  -0.092  -3.507
  283   2HD1  LEU  32          2HD1      LEU  32   0.350   1.615  -3.563
  284   3HD1  LEU  32          3HD1      LEU  32  -0.159   0.791  -5.052
  285   1HD2  LEU  32          1HD2      LEU  32   3.637   0.057  -3.247
  286   2HD2  LEU  32          2HD2      LEU  32   2.514   1.261  -2.613
  287   3HD2  LEU  32          3HD2      LEU  32   2.166  -0.471  -2.404
  288    H    HIS  33           H        HIS  33   4.724  -3.167  -6.977
  289    HA   HIS  33           HA       HIS  33   2.947  -5.566  -7.172
  290   1HB   HIS  33          2HB       HIS  33   3.560  -4.086  -9.229
  291   2HB   HIS  33          3HB       HIS  33   5.182  -4.761  -9.073
  292    HD1  HIS  33           HD1      HIS  33   1.606  -5.687  -9.924
  293    HD2  HIS  33           HD2      HIS  33   5.405  -7.479  -9.615
  294    HE1  HIS  33           HE1      HIS  33   1.375  -8.041 -10.884
  295    H    GLY  34           H        GLY  34   3.673  -7.144  -5.914
  296   1HA   GLY  34          1HA       GLY  34   5.150  -8.798  -5.125
  297   2HA   GLY  34          2HA       GLY  34   6.518  -7.906  -5.767
  298    H    ILE  35           H        ILE  35   4.546  -5.909  -3.822
  299    HA   ILE  35           HA       ILE  35   6.540  -5.615  -1.799
  300    HB   ILE  35           HB       ILE  35   5.159  -4.085  -0.710
  301   1HG1  ILE  35          2HG1      ILE  35   3.014  -5.137  -0.505
  302   2HG1  ILE  35          3HG1      ILE  35   2.868  -3.536  -1.193
  303   1HG2  ILE  35          1HG2      ILE  35   4.724  -3.762  -3.699
  304   2HG2  ILE  35          2HG2      ILE  35   4.680  -2.476  -2.468
  305   3HG2  ILE  35          3HG2      ILE  35   6.183  -3.343  -2.788
  306   1HD1  ILE  35          1HD1      ILE  35   2.612  -6.126  -2.765
  307   2HD1  ILE  35          2HD1      ILE  35   1.307  -5.042  -2.262
  308   3HD1  ILE  35          3HD1      ILE  35   2.505  -4.485  -3.436
  309    H    PHE  36           H        PHE  36   3.604  -7.638  -1.848
  310    HA   PHE  36           HA       PHE  36   3.537  -8.259   0.935
  311   1HB   PHE  36          2HB       PHE  36   2.444  -9.621  -1.538
  312   2HB   PHE  36          3HB       PHE  36   2.257 -10.297   0.067
  313    HD1  PHE  36           HD1      PHE  36   0.908  -7.825  -2.256
  314    HD2  PHE  36           HD2      PHE  36   1.101  -8.986   1.895
  315    HE1  PHE  36           HE1      PHE  36  -1.179  -6.591  -1.821
  316    HE2  PHE  36           HE2      PHE  36  -0.949  -7.665   2.344
  317    HZ   PHE  36           HZ       PHE  36  -2.120  -6.514   0.500
  318    H    GLY  37           H        GLY  37   4.695  -9.510   2.056
  319   1HA   GLY  37          1HA       GLY  37   6.222 -11.231   2.710
  320   2HA   GLY  37          2HA       GLY  37   6.463 -11.669   1.022
  321    H    ARG  38           H        ARG  38   6.987  -8.705   0.410
  322    HA   ARG  38           HA       ARG  38   9.841  -8.580   1.122
  323   1HB   ARG  38          2HB       ARG  38   8.548  -7.712  -1.093
  324   2HB   ARG  38          3HB       ARG  38   8.345  -6.268  -0.128
  325   1HG   ARG  38          2HG       ARG  38  10.252  -5.887  -1.423
  326   2HG   ARG  38          3HG       ARG  38  10.903  -6.264   0.160
  327   1HD   ARG  38          2HD       ARG  38  11.077  -8.710  -0.733
  328   2HD   ARG  38          3HD       ARG  38  10.804  -7.983  -2.326
  329    HE   ARG  38           HE       ARG  38  12.973  -6.848  -0.614
  330   1HH1  ARG  38          1HH2      ARG  38  12.345  -8.667  -3.494
  331   2HH1  ARG  38          2HH2      ARG  38  13.995  -8.522  -4.048
  332   1HH2  ARG  38          1HH1      ARG  38  14.911  -6.717  -1.218
  333   2HH2  ARG  38          2HH1      ARG  38  15.526  -7.466  -2.683
  334    H    HIS  39           H        HIS  39  10.509  -6.306   1.887
  335    HA   HIS  39           HA       HIS  39   9.176  -5.860   4.513
  336   1HB   HIS  39          2HB       HIS  39  12.060  -6.274   3.813
  337   2HB   HIS  39          3HB       HIS  39  11.505  -5.511   5.303
  338    HD1  HIS  39           HD1      HIS  39  10.456  -8.944   3.592
  339    HD2  HIS  39           HD2      HIS  39  11.361  -7.009   7.204
  340    HE1  HIS  39           HE1      HIS  39  10.474 -10.746   5.339
  341    H    SER  40           H        SER  40   8.652  -3.800   4.869
  342    HA   SER  40           HA       SER  40   8.353  -1.977   3.012
  343   1HB   SER  40          2HB       SER  40   7.900  -0.266   4.654
  344   2HB   SER  40          3HB       SER  40   7.338  -1.843   5.241
  345    HG   SER  40           HG       SER  40   9.830  -0.650   5.897
  346    H    GLY  41           H        GLY  41   9.302  -0.590   1.779
  347   1HA   GLY  41          1HA       GLY  41  10.924   1.101   1.266
  348   2HA   GLY  41          2HA       GLY  41  11.991   0.525   2.515
  349    H    GLN  42           H        GLN  42  10.628  -1.467  -0.160
  350    HA   GLN  42           HA       GLN  42  13.379  -1.746  -1.283
  351   1HB   GLN  42          2HB       GLN  42  11.580  -3.988  -0.314
  352   2HB   GLN  42          3HB       GLN  42  13.005  -4.228  -1.342
  353   1HG   GLN  42          2HG       GLN  42  14.357  -2.968   0.379
  354   2HG   GLN  42          3HG       GLN  42  12.973  -3.045   1.455
  355   1HE2  GLN  42          2HE2      GLN  42  13.566  -4.486   3.026
  356   2HE2  GLN  42          1HE2      GLN  42  14.230  -6.076   2.697
  357    H    ALA  43           H        ALA  43  11.338  -0.225  -2.534
  358    HA   ALA  43           HA       ALA  43  10.768  -1.652  -5.023
  359   1HB   ALA  43          1HB       ALA  43  10.818   1.290  -4.265
  360   2HB   ALA  43          2HB       ALA  43  10.253   0.659  -5.832
  361   3HB   ALA  43          3HB       ALA  43   9.403   0.215  -4.346
  362    H    GLU  44           H        GLU  44  11.679  -0.213  -7.049
  363    HA   GLU  44           HA       GLU  44  14.295  -1.361  -7.362
  364   1HB   GLU  44          2HB       GLU  44  12.436   0.129  -9.243
  365   2HB   GLU  44          3HB       GLU  44  13.902  -0.722  -9.742
  366   1HG   GLU  44          2HG       GLU  44  13.019  -2.839  -9.290
  367   2HG   GLU  44          3HG       GLU  44  11.803  -2.257  -8.174
  368    H    GLY  45           H        GLY  45  15.132   0.205  -5.648
  369   1HA   GLY  45          1HA       GLY  45  16.956   1.697  -5.320
  370   2HA   GLY  45          2HA       GLY  45  16.817   2.247  -6.990
  371    H    TYR  46           H        TYR  46  13.741   2.424  -5.818
  372    HA   TYR  46           HA       TYR  46  13.710   5.299  -5.445
  373   1HB   TYR  46          2HB       TYR  46  11.913   3.786  -6.326
  374   2HB   TYR  46          3HB       TYR  46  11.536   3.351  -4.690
  375    HD1  TYR  46           HD1      TYR  46  11.348   5.970  -7.286
  376    HD2  TYR  46           HD2      TYR  46  10.755   5.159  -3.095
  377    HE1  TYR  46           HE1      TYR  46   9.751   7.875  -7.151
  378    HE2  TYR  46           HE2      TYR  46   9.117   7.061  -2.998
  379    HH   TYR  46           HH       TYR  46   8.079   8.883  -5.827
  380    H    SER  47           H        SER  47  13.337   6.514  -3.601
  381    HA   SER  47           HA       SER  47  14.845   5.334  -1.295
  382   1HB   SER  47          2HB       SER  47  15.037   8.016  -2.676
  383   2HB   SER  47          3HB       SER  47  15.754   7.682  -1.085
  384    HG   SER  47           HG       SER  47  16.266   6.071  -3.384
  385    H    TYR  48           H        TYR  48  13.679   5.101   0.396
  386    HA   TYR  48           HA       TYR  48  11.177   6.351   0.622
  387   1HB   TYR  48          2HB       TYR  48  12.581   4.213   2.220
  388   2HB   TYR  48          3HB       TYR  48  10.952   4.760   2.602
  389    HD1  TYR  48           HD1      TYR  48   9.076   3.906   1.588
  390    HD2  TYR  48           HD2      TYR  48  12.937   3.300  -0.306
  391    HE1  TYR  48           HE1      TYR  48   8.097   2.266   0.047
  392    HE2  TYR  48           HE2      TYR  48  11.890   1.728  -1.889
  393    HH   TYR  48           HH       TYR  48   8.799   0.329  -1.238
  394    H    THR  49           H        THR  49  12.049   5.816   3.767
  395    HA   THR  49           HA       THR  49  12.897   8.513   4.543
  396    HB   THR  49           HB       THR  49  11.065   8.486   6.358
  397    HG1  THR  49           1HG      THR  49   9.720   6.924   4.433
  398   1HG2  THR  49          1HG2      THR  49  10.108   8.920   3.511
  399   2HG2  THR  49          2HG2      THR  49   9.419   9.628   4.997
  400   3HG2  THR  49          3HG2      THR  49  11.046  10.088   4.464
  401    H    ASP  50           H        ASP  50  13.852   8.486   6.623
  402    HA   ASP  50           HA       ASP  50  15.146   6.197   7.537
  403   1HB   ASP  50          2HB       ASP  50  15.762   8.477   8.129
  404   2HB   ASP  50          3HB       ASP  50  14.262   8.690   9.041
  405    H    ALA  51           H        ALA  51  12.153   7.561   8.968
  406    HA   ALA  51           HA       ALA  51  11.538   5.598  10.806
  407   1HB   ALA  51          1HB       ALA  51   9.611   7.207   9.068
  408   2HB   ALA  51          2HB       ALA  51   9.214   6.414  10.610
  409   3HB   ALA  51          3HB       ALA  51  10.369   7.751  10.578
  410    H    ASN  52           H        ASN  52  10.514   5.501   7.339
  411    HA   ASN  52           HA       ASN  52   9.064   3.034   7.536
  412   1HB   ASN  52          2HB       ASN  52   8.798   4.685   5.717
  413   2HB   ASN  52          3HB       ASN  52  10.446   4.370   5.160
  414   1HD2  ASN  52          2HD2      ASN  52  10.881   2.103   4.164
  415   2HD2  ASN  52          1HD2      ASN  52   9.407   1.400   3.502
  416    H    ILE  53           H        ILE  53  12.443   3.708   6.789
  417    HA   ILE  53           HA       ILE  53  13.196   0.975   6.171
  418    HB   ILE  53           HB       ILE  53  14.723   3.405   7.077
  419   1HG1  ILE  53          2HG1      ILE  53  14.681   2.102   4.301
  420   2HG1  ILE  53          3HG1      ILE  53  13.556   3.371   4.753
  421   1HG2  ILE  53          1HG2      ILE  53  15.846   0.744   6.069
  422   2HG2  ILE  53          2HG2      ILE  53  16.811   2.219   6.285
  423   3HG2  ILE  53          3HG2      ILE  53  16.082   1.448   7.684
  424   1HD1  ILE  53          1HD1      ILE  53  16.571   3.668   4.576
  425   2HD1  ILE  53          2HD1      ILE  53  15.337   4.384   3.529
  426   3HD1  ILE  53          3HD1      ILE  53  15.470   4.910   5.219
  427    H    LYS  54           H        LYS  54  13.551   2.950   9.194
  428    HA   LYS  54           HA       LYS  54  14.299   0.719  10.854
  429   1HB   LYS  54          2HB       LYS  54  13.038   3.415  11.503
  430   2HB   LYS  54          3HB       LYS  54  13.661   2.269  12.708
  431   1HG   LYS  54          2HG       LYS  54  15.899   2.331  11.615
  432   2HG   LYS  54          3HG       LYS  54  15.304   3.527  10.465
  433   1HD   LYS  54          2HD       LYS  54  14.767   5.069  12.313
  434   2HD   LYS  54          3HD       LYS  54  15.466   3.922  13.482
  435   1HE   LYS  54          2HE       LYS  54  17.669   4.195  12.620
  436   2HE   LYS  54          3HE       LYS  54  17.058   4.764  11.054
  437   1HZ   LYS  54          1HZ       LYS  54  16.904   6.398  13.513
  438   2HZ   LYS  54          2HZ       LYS  54  17.893   6.629  12.170
  439   3HZ   LYS  54          3HZ       LYS  54  16.313   6.743  12.007
  440    H    LYS  55           H        LYS  55  11.399   1.197   9.328
  441    HA   LYS  55           HA       LYS  55   9.797  -0.285  11.365
  442   1HB   LYS  55          2HB       LYS  55   9.059   1.416   9.291
  443   2HB   LYS  55          3HB       LYS  55   8.682  -0.156   8.618
  444   1HG   LYS  55          2HG       LYS  55   7.671   1.058  11.225
  445   2HG   LYS  55          3HG       LYS  55   6.780   0.843   9.723
  446   1HD   LYS  55          2HD       LYS  55   6.060  -1.140  10.231
  447   2HD   LYS  55          3HD       LYS  55   7.677  -1.742  10.590
  448   1HE   LYS  55          2HE       LYS  55   7.544  -0.780  12.862
  449   2HE   LYS  55          3HE       LYS  55   5.932  -0.137  12.505
  450   1HZ   LYS  55          1HZ       LYS  55   6.644  -3.022  12.505
  451   2HZ   LYS  55          2HZ       LYS  55   5.822  -2.257  13.706
  452   3HZ   LYS  55          3HZ       LYS  55   5.132  -2.415  12.229
  453    H    ASN  56           H        ASN  56  11.283  -0.868   8.252
  454    HA   ASN  56           HA       ASN  56  11.135  -2.616   6.792
  455   1HB   ASN  56          2HB       ASN  56  13.184  -2.985   8.785
  456   2HB   ASN  56          3HB       ASN  56  12.644  -4.565   8.246
  457   1HD2  ASN  56          2HD2      ASN  56  13.807  -1.424   7.127
  458   2HD2  ASN  56          1HD2      ASN  56  14.356  -2.053   5.549
  459    H    VAL  57           H        VAL  57   8.745  -2.583   7.404
  460    HA   VAL  57           HA       VAL  57   7.903  -4.974   8.862
  461    HB   VAL  57           HB       VAL  57   6.696  -2.503   8.339
  462   1HG1  VAL  57          1HG1      VAL  57   4.966  -4.635   7.032
  463   2HG1  VAL  57          2HG1      VAL  57   4.428  -3.031   7.569
  464   3HG1  VAL  57          3HG1      VAL  57   5.629  -3.175   6.289
  465   1HG2  VAL  57          1HG2      VAL  57   6.597  -3.759  10.386
  466   2HG2  VAL  57          2HG2      VAL  57   4.933  -3.506   9.807
  467   3HG2  VAL  57          3HG2      VAL  57   5.733  -5.082   9.626
  468    H    LEU  58           H        LEU  58   7.663  -6.913   8.116
  469    HA   LEU  58           HA       LEU  58   7.744  -7.666   5.353
  470   1HB   LEU  58          2HB       LEU  58   8.361  -9.078   7.346
  471   2HB   LEU  58          3HB       LEU  58   6.655  -9.300   7.677
  472    HG   LEU  58           HG       LEU  58   8.005 -10.070   5.036
  473   1HD1  LEU  58          1HD1      LEU  58   7.224 -11.862   7.377
  474   2HD1  LEU  58          2HD1      LEU  58   8.012 -12.358   5.860
  475   3HD1  LEU  58          3HD1      LEU  58   8.884 -11.344   7.022
  476   1HD2  LEU  58          1HD2      LEU  58   5.639  -9.911   4.647
  477   2HD2  LEU  58          2HD2      LEU  58   5.966 -11.624   4.899
  478   3HD2  LEU  58          3HD2      LEU  58   5.251 -10.666   6.207
  479    H    TRP  59           H        TRP  59   6.181  -6.752   4.074
  480    HA   TRP  59           HA       TRP  59   3.566  -6.041   4.909
  481   1HB   TRP  59          2HB       TRP  59   4.666  -6.526   2.161
  482   2HB   TRP  59          3HB       TRP  59   3.081  -5.841   2.454
  483    HD1  TRP  59           HD1      TRP  59   6.294  -4.652   1.475
  484    HE1  TRP  59           HE1      TRP  59   6.616  -2.097   2.061
  485    HE3  TRP  59           HE3      TRP  59   2.488  -4.030   4.816
  486    HZ2  TRP  59           HZ2      TRP  59   5.668  -0.295   3.952
  487    HZ3  TRP  59           HZ3      TRP  59   2.205  -1.925   6.023
  488    HH2  TRP  59           HH2      TRP  59   3.833  -0.021   5.665
  489    H    ASP  60           H        ASP  60   2.007  -7.217   5.490
  490    HA   ASP  60           HA       ASP  60   1.282  -9.823   4.275
  491   1HB   ASP  60          2HB       ASP  60   2.079 -10.662   6.256
  492   2HB   ASP  60          3HB       ASP  60   1.955  -9.115   7.079
  493    H    GLU  61           H        GLU  61  -1.012 -10.276   5.043
  494    HA   GLU  61           HA       GLU  61  -2.671  -8.268   3.700
  495   1HB   GLU  61          2HB       GLU  61  -3.435 -10.856   5.104
  496   2HB   GLU  61          3HB       GLU  61  -4.564  -9.793   4.245
  497   1HG   GLU  61          2HG       GLU  61  -3.193 -10.019   2.175
  498   2HG   GLU  61          3HG       GLU  61  -2.122 -11.144   3.005
  499    H    ASN  62           H        ASN  62  -2.462  -9.310   7.127
  500    HA   ASN  62           HA       ASN  62  -4.338  -7.200   7.986
  501   1HB   ASN  62          2HB       ASN  62  -2.882  -9.499   9.263
  502   2HB   ASN  62          3HB       ASN  62  -3.101  -8.096  10.297
  503   1HD2  ASN  62          2HD2      ASN  62  -5.546  -7.081   9.790
  504   2HD2  ASN  62          1HD2      ASN  62  -6.761  -8.341   9.993
  505    H    ASN  63           H        ASN  63  -0.832  -7.731   8.230
  506    HA   ASN  63           HA       ASN  63  -0.236  -5.374   9.759
  507   1HB   ASN  63          2HB       ASN  63   1.174  -7.419   9.518
  508   2HB   ASN  63          3HB       ASN  63   1.394  -7.062   7.805
  509   1HD2  ASN  63          2HD2      ASN  63   3.692  -7.132   8.036
  510   2HD2  ASN  63          1HD2      ASN  63   4.449  -5.719   8.753
  511    H    MET  64           H        MET  64  -0.600  -5.783   6.235
  512    HA   MET  64           HA       MET  64   0.178  -3.002   5.727
  513   1HB   MET  64          2HB       MET  64   0.381  -4.947   4.049
  514   2HB   MET  64          3HB       MET  64  -1.351  -4.751   3.809
  515   1HG   MET  64          2HG       MET  64  -1.007  -2.442   3.055
  516   2HG   MET  64          3HG       MET  64   0.684  -2.512   3.543
  517   1HE   MET  64          1HE       MET  64  -1.618  -2.727   0.455
  518   2HE   MET  64          2HE       MET  64  -1.111  -4.240  -0.321
  519   3HE   MET  64          3HE       MET  64  -1.948  -4.293   1.251
  520    H    SER  65           H        SER  65  -2.979  -4.739   6.344
  521    HA   SER  65           HA       SER  65  -4.563  -2.481   5.621
  522   1HB   SER  65          2HB       SER  65  -6.419  -3.463   6.515
  523   2HB   SER  65          3HB       SER  65  -5.434  -4.830   5.998
  524    HG   SER  65           HG       SER  65  -6.565  -4.540   8.274
  525    H    GLU  66           H        GLU  66  -3.148  -3.311   8.756
  526    HA   GLU  66           HA       GLU  66  -3.945  -1.113  10.335
  527   1HB   GLU  66          2HB       GLU  66  -2.785  -2.956  11.311
  528   2HB   GLU  66          3HB       GLU  66  -1.473  -2.843  10.178
  529   1HG   GLU  66          2HG       GLU  66  -0.895  -2.174  12.496
  530   2HG   GLU  66          3HG       GLU  66  -0.437  -1.070  11.216
  531    H    TYR  67           H        TYR  67  -0.888  -1.291   8.500
  532    HA   TYR  67           HA       TYR  67  -0.080   1.408   8.734
  533   1HB   TYR  67          2HB       TYR  67   1.431  -0.274   7.858
  534   2HB   TYR  67          3HB       TYR  67   0.343  -0.616   6.523
  535    HD1  TYR  67           HD1      TYR  67   0.961   0.220   4.420
  536    HD2  TYR  67           HD2      TYR  67   1.982   2.410   7.963
  537    HE1  TYR  67           HE1      TYR  67   2.140   1.917   3.033
  538    HE2  TYR  67           HE2      TYR  67   3.171   4.132   6.575
  539    HH   TYR  67           HH       TYR  67   3.778   3.556   3.185
  540    H    LEU  68           H        LEU  68  -2.097  -0.060   6.141
  541    HA   LEU  68           HA       LEU  68  -2.416   2.351   4.633
  542   1HB   LEU  68          2HB       LEU  68  -4.162  -0.127   4.958
  543   2HB   LEU  68          3HB       LEU  68  -4.515   1.153   3.811
  544    HG   LEU  68           HG       LEU  68  -1.930  -0.427   3.712
  545   1HD1  LEU  68          1HD1      LEU  68  -4.525  -0.755   2.140
  546   2HD1  LEU  68          2HD1      LEU  68  -3.000  -1.599   1.811
  547   3HD1  LEU  68          3HD1      LEU  68  -3.860  -1.906   3.323
  548   1HD2  LEU  68          1HD2      LEU  68  -1.732   1.733   2.638
  549   2HD2  LEU  68          2HD2      LEU  68  -1.800   0.435   1.451
  550   3HD2  LEU  68          3HD2      LEU  68  -3.239   1.447   1.728
  551    H    THR  69           H        THR  69  -4.172   1.181   7.471
  552    HA   THR  69           HA       THR  69  -6.314   3.143   7.298
  553    HB   THR  69           HB       THR  69  -5.621   1.046   9.281
  554    HG1  THR  69           1HG      THR  69  -6.967  -0.032   8.085
  555   1HG2  THR  69          1HG2      THR  69  -8.124   2.800   9.146
  556   2HG2  THR  69          2HG2      THR  69  -7.943   1.330  10.131
  557   3HG2  THR  69          3HG2      THR  69  -6.955   2.751  10.491
  558    H    ASN  70           H        ASN  70  -3.337   3.063   9.219
  559    HA   ASN  70           HA       ASN  70  -3.670   5.965   9.224
  560   1HB   ASN  70          2HB       ASN  70  -4.745   5.276  11.372
  561   2HB   ASN  70          3HB       ASN  70  -3.158   4.763  11.940
  562   1HD2  ASN  70          2HD2      ASN  70  -5.059   7.065  12.765
  563   2HD2  ASN  70          1HD2      ASN  70  -3.966   8.449  12.674
  564    HA   PRO  71           HA       PRO  71   0.471   4.299   8.137
  565   1HB   PRO  71          2HB       PRO  71   1.046   6.132   6.133
  566   2HB   PRO  71          3HB       PRO  71   0.074   4.656   5.888
  567   1HG   PRO  71          2HG       PRO  71  -0.946   7.475   6.382
  568   2HG   PRO  71          3HG       PRO  71  -1.484   6.286   5.168
  569   1HD   PRO  71          2HD       PRO  71  -2.796   6.677   7.490
  570   2HD   PRO  71          3HD       PRO  71  -2.651   5.038   6.790
  571    H    LYS  72           H        LYS  72  -0.535   7.565   8.689
  572    HA   LYS  72           HA       LYS  72   1.991   8.788   9.277
  573   1HB   LYS  72          2HB       LYS  72  -0.481   9.656   8.677
  574   2HB   LYS  72          3HB       LYS  72  -0.634   9.783  10.419
  575   1HG   LYS  72          2HG       LYS  72   1.122  11.404  10.559
  576   2HG   LYS  72          3HG       LYS  72   1.725  11.037   8.930
  577   1HD   LYS  72          2HD       LYS  72  -1.062  12.148   9.444
  578   2HD   LYS  72          3HD       LYS  72   0.344  13.185   9.142
  579   1HE   LYS  72          2HE       LYS  72   0.618  12.467   6.930
  580   2HE   LYS  72          3HE       LYS  72  -0.193  10.936   7.198
  581   1HZ   LYS  72          1HZ       LYS  72  -1.616  13.527   7.108
  582   2HZ   LYS  72          2HZ       LYS  72  -1.551  12.395   5.911
  583   3HZ   LYS  72          3HZ       LYS  72  -2.295  12.006   7.274
  584    H    LYS  73           H        LYS  73  -0.328   7.115  11.289
  585    HA   LYS  73           HA       LYS  73   1.101   7.477  13.826
  586   1HB   LYS  73          2HB       LYS  73  -1.326   6.981  13.730
  587   2HB   LYS  73          3HB       LYS  73  -0.998   5.452  12.910
  588   1HG   LYS  73          2HG       LYS  73   0.311   4.752  15.019
  589   2HG   LYS  73          3HG       LYS  73  -0.312   6.227  15.755
  590   1HD   LYS  73          2HD       LYS  73  -1.904   4.787  16.471
  591   2HD   LYS  73          3HD       LYS  73  -2.683   5.222  14.957
  592   1HE   LYS  73          2HE       LYS  73  -0.851   2.791  15.322
  593   2HE   LYS  73          3HE       LYS  73  -2.579   2.728  15.631
  594   1HZ   LYS  73          1HZ       LYS  73  -1.384   3.308  12.973
  595   2HZ   LYS  73          2HZ       LYS  73  -1.987   1.903  13.453
  596   3HZ   LYS  73          3HZ       LYS  73  -3.009   3.135  13.297
  597    H    TYR  74           H        TYR  74   0.767   4.765  11.510
  598    HA   TYR  74           HA       TYR  74   2.387   2.977  13.026
  599   1HB   TYR  74          2HB       TYR  74   0.629   2.535  11.192
  600   2HB   TYR  74          3HB       TYR  74   1.895   2.856  10.038
  601    HD1  TYR  74           HD1      TYR  74   1.273   0.809  13.133
  602    HD2  TYR  74           HD2      TYR  74   3.132   0.948   9.243
  603    HE1  TYR  74           HE1      TYR  74   1.942  -1.565  13.370
  604    HE2  TYR  74           HE2      TYR  74   3.737  -1.441   9.451
  605    HH   TYR  74           HH       TYR  74   2.929  -3.520  10.916
  606    H    ILE  75           H        ILE  75   3.205   5.159  10.451
  607    HA   ILE  75           HA       ILE  75   6.118   4.735  11.018
  608    HB   ILE  75           HB       ILE  75   4.925   5.258   8.290
  609   1HG1  ILE  75          2HG1      ILE  75   6.081   2.777   9.525
  610   2HG1  ILE  75          3HG1      ILE  75   4.443   2.997   8.916
  611   1HG2  ILE  75          1HG2      ILE  75   7.802   4.671   9.198
  612   2HG2  ILE  75          2HG2      ILE  75   7.280   5.017   7.530
  613   3HG2  ILE  75          3HG2      ILE  75   7.221   6.284   8.744
  614   1HD1  ILE  75          1HD1      ILE  75   6.963   2.699   7.278
  615   2HD1  ILE  75          2HD1      ILE  75   5.522   1.682   7.293
  616   3HD1  ILE  75          3HD1      ILE  75   5.446   3.314   6.592
  617    HA   PRO  76           HA       PRO  76   4.697   9.002  12.051
  618   1HB   PRO  76          2HB       PRO  76   6.485   9.508  14.073
  619   2HB   PRO  76          3HB       PRO  76   4.961   8.589  14.289
  620   1HG   PRO  76          2HG       PRO  76   7.753   7.494  13.860
  621   2HG   PRO  76          3HG       PRO  76   6.535   6.986  15.075
  622   1HD   PRO  76          2HD       PRO  76   6.898   5.642  12.744
  623   2HD   PRO  76          3HD       PRO  76   5.267   5.833  13.450
  624    H    GLY  77           H        GLY  77   5.275  10.366  10.505
  625   1HA   GLY  77          1HA       GLY  77   6.777  11.970   9.491
  626   2HA   GLY  77          2HA       GLY  77   8.156  11.015  10.008
  627    H    THR  78           H        THR  78   5.871   8.890   8.663
  628    HA   THR  78           HA       THR  78   7.270   8.206   6.347
  629    HB   THR  78           HB       THR  78   5.493   6.870   7.260
  630    HG1  THR  78           1HG      THR  78   4.786   6.113   5.359
  631   1HG2  THR  78          1HG2      THR  78   3.481   8.774   6.003
  632   2HG2  THR  78          2HG2      THR  78   3.131   7.229   6.799
  633   3HG2  THR  78          3HG2      THR  78   3.754   8.587   7.744
  634    H    LYS  79           H        LYS  79   7.116   8.597   4.212
  635    HA   LYS  79           HA       LYS  79   6.275  11.242   3.297
  636   1HB   LYS  79          2HB       LYS  79   8.325   9.856   2.600
  637   2HB   LYS  79          3HB       LYS  79   7.252   8.946   1.560
  638   1HG   LYS  79          2HG       LYS  79   6.914  10.837   0.131
  639   2HG   LYS  79          3HG       LYS  79   7.341  11.960   1.416
  640   1HD   LYS  79          2HD       LYS  79   9.106  12.099  -0.050
  641   2HD   LYS  79          3HD       LYS  79   9.746  11.154   1.273
  642   1HE   LYS  79          2HE       LYS  79   8.610   9.660  -1.093
  643   2HE   LYS  79          3HE       LYS  79  10.066  10.607  -1.381
  644   1HZ   LYS  79          1HZ       LYS  79   9.855   8.447   0.645
  645   2HZ   LYS  79          2HZ       LYS  79  10.604   8.311  -0.752
  646   3HZ   LYS  79          3HZ       LYS  79  11.217   9.323   0.364
  647    H    MET  80           H        MET  80   4.621   8.200   3.654
  648    HA   MET  80           HA       MET  80   2.547   8.714   1.685
  649   1HB   MET  80          2HB       MET  80   3.075   6.438   2.428
  650   2HB   MET  80          3HB       MET  80   2.592   6.829   4.076
  651   1HG   MET  80          2HG       MET  80   0.380   6.896   3.584
  652   2HG   MET  80          3HG       MET  80   0.610   7.472   1.944
  653   1HE   MET  80          1HE       MET  80  -1.702   5.854   1.736
  654   2HE   MET  80          2HE       MET  80  -1.623   4.088   1.914
  655   3HE   MET  80          3HE       MET  80  -1.432   5.119   3.334
  656    H    ALA  81           H        ALA  81   2.354  10.972   2.242
  657    HA   ALA  81           HA       ALA  81   1.261  11.978   4.587
  658   1HB   ALA  81          1HB       ALA  81   0.919  13.001   1.729
  659   2HB   ALA  81          2HB       ALA  81   0.756  13.984   3.199
  660   3HB   ALA  81          3HB       ALA  81   2.333  13.299   2.764
  661    H    PHE  82           H        PHE  82  -0.308   9.808   3.073
  662    HA   PHE  82           HA       PHE  82  -3.010  10.574   2.537
  663   1HB   PHE  82          2HB       PHE  82  -1.867   8.505   1.787
  664   2HB   PHE  82          3HB       PHE  82  -1.823   7.925   3.441
  665    HD1  PHE  82           HD1      PHE  82  -4.329   9.174   0.903
  666    HD2  PHE  82           HD2      PHE  82  -3.454   6.331   4.028
  667    HE1  PHE  82           HE1      PHE  82  -6.482   8.036   0.480
  668    HE2  PHE  82           HE2      PHE  82  -5.575   5.177   3.574
  669    HZ   PHE  82           HZ       PHE  82  -7.131   6.045   1.826
  670    H    GLY  83           H        GLY  83  -4.928   9.867   3.720
  671   1HA   GLY  83          1HA       GLY  83  -4.838  10.591   6.613
  672   2HA   GLY  83          2HA       GLY  83  -6.277  10.480   5.597
  673    H    GLY  84           H        GLY  84  -6.931   8.319   4.893
  674   1HA   GLY  84          1HA       GLY  84  -6.322   5.781   5.560
  675   2HA   GLY  84          2HA       GLY  84  -6.899   6.415   7.091
  676    H    LEU  85           H        LEU  85  -8.283   4.332   5.625
  677    HA   LEU  85           HA       LEU  85 -10.849   5.654   4.916
  678   1HB   LEU  85          2HB       LEU  85  -9.745   2.937   4.114
  679   2HB   LEU  85          3HB       LEU  85 -11.294   3.599   3.662
  680    HG   LEU  85           HG       LEU  85  -8.583   4.691   2.826
  681   1HD1  LEU  85          1HD1      LEU  85 -10.705   3.251   1.191
  682   2HD1  LEU  85          2HD1      LEU  85  -9.138   3.852   0.602
  683   3HD1  LEU  85          3HD1      LEU  85  -9.205   2.528   1.774
  684   1HD2  LEU  85          1HD2      LEU  85 -10.311   6.497   2.964
  685   2HD2  LEU  85          2HD2      LEU  85  -9.795   6.184   1.323
  686   3HD2  LEU  85          3HD2      LEU  85 -11.362   5.543   1.891
  687    H    LYS  86           H        LYS  86 -11.832   5.759   6.850
  688    HA   LYS  86           HA       LYS  86 -11.503   3.929   8.996
  689   1HB   LYS  86          2HB       LYS  86 -12.200   6.471   8.903
  690   2HB   LYS  86          3HB       LYS  86 -13.845   5.831   8.822
  691   1HG   LYS  86          2HG       LYS  86 -13.063   4.413  10.951
  692   2HG   LYS  86          3HG       LYS  86 -11.765   5.604  11.030
  693   1HD   LYS  86          2HD       LYS  86 -13.458   7.426  11.156
  694   2HD   LYS  86          3HD       LYS  86 -14.756   6.213  11.020
  695   1HE   LYS  86          2HE       LYS  86 -13.850   5.092  13.087
  696   2HE   LYS  86          3HE       LYS  86 -12.689   6.416  13.255
  697   1HZ   LYS  86          1HZ       LYS  86 -15.649   6.689  13.316
  698   2HZ   LYS  86          2HZ       LYS  86 -14.655   6.808  14.612
  699   3HZ   LYS  86          3HZ       LYS  86 -14.595   7.944  13.425
  700    H    LYS  87           H        LYS  87 -12.472   2.408   6.799
  701    HA   LYS  87           HA       LYS  87 -14.839   0.995   7.935
  702   1HB   LYS  87          2HB       LYS  87 -14.606   2.135   5.118
  703   2HB   LYS  87          3HB       LYS  87 -15.687   0.802   5.524
  704   1HG   LYS  87          2HG       LYS  87 -16.948   2.288   7.062
  705   2HG   LYS  87          3HG       LYS  87 -15.887   3.642   6.593
  706   1HD   LYS  87          2HD       LYS  87 -16.520   3.323   4.215
  707   2HD   LYS  87          3HD       LYS  87 -17.551   1.952   4.659
  708   1HE   LYS  87          2HE       LYS  87 -18.973   3.466   6.023
  709   2HE   LYS  87          3HE       LYS  87 -17.945   4.834   5.562
  710   1HZ   LYS  87          1HZ       LYS  87 -19.496   3.156   3.663
  711   2HZ   LYS  87          2HZ       LYS  87 -19.891   4.688   4.120
  712   3HZ   LYS  87          3HZ       LYS  87 -18.528   4.398   3.238
  713    H    GLU  88           H        GLU  88 -13.476  -0.853   8.410
  714    HA   GLU  88           HA       GLU  88 -11.728  -2.021   6.546
  715   1HB   GLU  88          2HB       GLU  88 -13.330  -3.230   8.762
  716   2HB   GLU  88          3HB       GLU  88 -12.369  -4.238   7.693
  717   1HG   GLU  88          2HG       GLU  88 -11.246  -1.891   9.283
  718   2HG   GLU  88          3HG       GLU  88 -11.234  -3.553   9.845
  719    H    LYS  89           H        LYS  89 -15.227  -2.085   6.308
  720    HA   LYS  89           HA       LYS  89 -15.554  -4.022   4.230
  721   1HB   LYS  89          2HB       LYS  89 -16.856  -1.325   4.671
  722   2HB   LYS  89          3HB       LYS  89 -17.459  -2.540   3.569
  723   1HG   LYS  89          2HG       LYS  89 -17.138  -3.190   6.522
  724   2HG   LYS  89          3HG       LYS  89 -18.478  -2.217   5.940
  725   1HD   LYS  89          2HD       LYS  89 -19.215  -4.032   4.446
  726   2HD   LYS  89          3HD       LYS  89 -17.846  -5.041   4.966
  727   1HE   LYS  89          2HE       LYS  89 -18.659  -5.099   7.253
  728   2HE   LYS  89          3HE       LYS  89 -19.897  -3.887   6.908
  729   1HZ   LYS  89          1HZ       LYS  89 -19.862  -6.600   5.708
  730   2HZ   LYS  89          2HZ       LYS  89 -20.799  -6.153   6.982
  731   3HZ   LYS  89          3HZ       LYS  89 -21.042  -5.478   5.513
  732    H    ASP  90           H        ASP  90 -14.870  -0.595   3.905
  733    HA   ASP  90           HA       ASP  90 -14.561  -0.463   1.031
  734   1HB   ASP  90          2HB       ASP  90 -14.919   1.335   3.020
  735   2HB   ASP  90          3HB       ASP  90 -13.175   1.476   2.892
  736    H    ARG  91           H        ARG  91 -12.337  -0.962   3.687
  737    HA   ARG  91           HA       ARG  91  -9.797  -1.029   2.257
  738   1HB   ARG  91          2HB       ARG  91 -10.568  -2.360   4.868
  739   2HB   ARG  91          3HB       ARG  91  -8.950  -2.023   4.333
  740   1HG   ARG  91          2HG       ARG  91 -10.607   0.455   4.443
  741   2HG   ARG  91          3HG       ARG  91 -10.538  -0.396   5.981
  742   1HD   ARG  91          2HD       ARG  91  -8.799   1.101   5.985
  743   2HD   ARG  91          3HD       ARG  91  -8.076  -0.508   5.816
  744    HE   ARG  91           HE       ARG  91  -8.137   0.132   3.249
  745   1HH1  ARG  91          1HH2      ARG  91  -7.188   1.990   5.878
  746   2HH1  ARG  91          2HH2      ARG  91  -6.111   3.061   5.032
  747   1HH2  ARG  91          1HH1      ARG  91  -6.789   1.527   2.015
  748   2HH2  ARG  91          2HH1      ARG  91  -6.050   2.898   2.812
  749    H    ASN  92           H        ASN  92 -11.999  -3.621   3.347
  750    HA   ASN  92           HA       ASN  92 -10.251  -5.754   2.600
  751   1HB   ASN  92          2HB       ASN  92 -13.215  -5.624   3.248
  752   2HB   ASN  92          3HB       ASN  92 -12.414  -7.134   2.788
  753   1HD2  ASN  92          2HD2      ASN  92 -13.359  -5.665   5.532
  754   2HD2  ASN  92          1HD2      ASN  92 -12.123  -6.453   6.545
  755    H    ASP  93           H        ASP  93 -12.740  -4.086   0.697
  756    HA   ASP  93           HA       ASP  93 -12.497  -5.677  -1.706
  757   1HB   ASP  93          2HB       ASP  93 -13.221  -2.813  -1.059
  758   2HB   ASP  93          3HB       ASP  93 -12.839  -3.223  -2.716
  759    H    LEU  94           H        LEU  94 -10.683  -2.850  -0.585
  760    HA   LEU  94           HA       LEU  94  -8.866  -2.679  -2.743
  761   1HB   LEU  94          2HB       LEU  94  -9.506  -1.066  -0.691
  762   2HB   LEU  94          3HB       LEU  94  -8.081  -1.773   0.039
  763    HG   LEU  94           HG       LEU  94  -7.653   0.379  -1.033
  764   1HD1  LEU  94          1HD1      LEU  94  -6.260  -1.778  -2.656
  765   2HD1  LEU  94          2HD1      LEU  94  -5.696  -0.132  -2.351
  766   3HD1  LEU  94          3HD1      LEU  94  -5.796  -1.294  -1.009
  767   1HD2  LEU  94          1HD2      LEU  94  -9.404  -0.018  -2.872
  768   2HD2  LEU  94          2HD2      LEU  94  -7.907   0.826  -3.326
  769   3HD2  LEU  94          3HD2      LEU  94  -8.155  -0.887  -3.741
  770    H    ILE  95           H        ILE  95  -8.432  -4.281   0.428
  771    HA   ILE  95           HA       ILE  95  -5.841  -5.397  -0.040
  772    HB   ILE  95           HB       ILE  95  -8.136  -6.536   1.601
  773   1HG1  ILE  95          2HG1      ILE  95  -5.652  -5.075   2.633
  774   2HG1  ILE  95          3HG1      ILE  95  -7.101  -4.191   2.209
  775   1HG2  ILE  95          1HG2      ILE  95  -5.162  -7.261   1.609
  776   2HG2  ILE  95          2HG2      ILE  95  -6.352  -7.840   2.786
  777   3HG2  ILE  95          3HG2      ILE  95  -6.498  -8.315   1.106
  778   1HD1  ILE  95          1HD1      ILE  95  -6.868  -6.291   4.385
  779   2HD1  ILE  95          2HD1      ILE  95  -7.205  -4.554   4.545
  780   3HD1  ILE  95          3HD1      ILE  95  -8.413  -5.612   3.823
  781    H    THR  96           H        THR  96  -9.091  -6.847  -0.652
  782    HA   THR  96           HA       THR  96  -8.212  -9.215  -1.908
  783    HB   THR  96           HB       THR  96 -10.703  -7.646  -2.696
  784    HG1  THR  96           1HG      THR  96 -10.785  -8.062  -0.534
  785   1HG2  THR  96          1HG2      THR  96 -10.054 -10.625  -2.863
  786   2HG2  THR  96          2HG2      THR  96 -11.618  -9.873  -3.241
  787   3HG2  THR  96          3HG2      THR  96 -10.210  -9.522  -4.250
  788    H    TYR  97           H        TYR  97  -8.761  -6.035  -3.428
  789    HA   TYR  97           HA       TYR  97  -7.964  -6.816  -6.091
  790   1HB   TYR  97          2HB       TYR  97  -9.203  -4.805  -5.799
  791   2HB   TYR  97          3HB       TYR  97  -8.019  -4.119  -4.695
  792    HD1  TYR  97           HD1      TYR  97  -8.349  -5.426  -8.198
  793    HD2  TYR  97           HD2      TYR  97  -6.243  -2.749  -5.547
  794    HE1  TYR  97           HE1      TYR  97  -7.167  -4.442 -10.142
  795    HE2  TYR  97           HE2      TYR  97  -4.998  -1.827  -7.513
  796    HH   TYR  97           HH       TYR  97  -5.672  -2.879 -10.832
  797    H    LEU  98           H        LEU  98  -6.026  -5.120  -3.558
  798    HA   LEU  98           HA       LEU  98  -3.710  -4.953  -5.195
  799   1HB   LEU  98          2HB       LEU  98  -4.477  -4.040  -2.617
  800   2HB   LEU  98          3HB       LEU  98  -3.144  -5.095  -2.277
  801    HG   LEU  98           HG       LEU  98  -2.308  -2.891  -2.441
  802   1HD1  LEU  98          1HD1      LEU  98  -1.558  -4.163  -5.101
  803   2HD1  LEU  98          2HD1      LEU  98  -0.637  -2.971  -4.184
  804   3HD1  LEU  98          3HD1      LEU  98  -0.860  -4.606  -3.534
  805   1HD2  LEU  98          1HD2      LEU  98  -4.130  -1.862  -3.705
  806   2HD2  LEU  98          2HD2      LEU  98  -2.549  -1.457  -4.402
  807   3HD2  LEU  98          3HD2      LEU  98  -3.577  -2.664  -5.190
  808    H    LYS  99           H        LYS  99  -4.691  -7.349  -2.882
  809    HA   LYS  99           HA       LYS  99  -2.418  -9.100  -3.029
  810   1HB   LYS  99          2HB       LYS  99  -4.259  -9.129  -1.365
  811   2HB   LYS  99          3HB       LYS  99  -5.360  -9.780  -2.575
  812   1HG   LYS  99          2HG       LYS  99  -2.746 -11.186  -1.872
  813   2HG   LYS  99          3HG       LYS  99  -4.164 -11.308  -0.828
  814   1HD   LYS  99          2HD       LYS  99  -5.514 -12.164  -2.732
  815   2HD   LYS  99          3HD       LYS  99  -4.050 -12.164  -3.742
  816   1HE   LYS  99          2HE       LYS  99  -2.937 -13.688  -2.164
  817   2HE   LYS  99          3HE       LYS  99  -4.339 -13.643  -1.083
  818   1HZ   LYS  99          1HZ       LYS  99  -4.367 -14.643  -3.897
  819   2HZ   LYS  99          2HZ       LYS  99  -4.250 -15.603  -2.631
  820   3HZ   LYS  99          3HZ       LYS  99  -5.641 -14.714  -2.849
  821    H    LYS 100           H        LYS 100  -5.367  -8.970  -5.032
  822    HA   LYS 100           HA       LYS 100  -4.551 -11.159  -6.808
  823   1HB   LYS 100          2HB       LYS 100  -6.889 -10.328  -6.130
  824   2HB   LYS 100          3HB       LYS 100  -6.693  -9.035  -7.289
  825   1HG   LYS 100          2HG       LYS 100  -8.078 -10.880  -8.122
  826   2HG   LYS 100          3HG       LYS 100  -6.683 -10.624  -9.150
  827   1HD   LYS 100          2HD       LYS 100  -6.444 -12.686  -6.959
  828   2HD   LYS 100          3HD       LYS 100  -7.496 -13.074  -8.332
  829   1HE   LYS 100          2HE       LYS 100  -5.736 -12.981  -9.912
  830   2HE   LYS 100          3HE       LYS 100  -4.733 -12.002  -8.854
  831   1HZ   LYS 100          1HZ       LYS 100  -5.155 -14.916  -8.550
  832   2HZ   LYS 100          2HZ       LYS 100  -3.764 -14.030  -8.740
  833   3HZ   LYS 100          3HZ       LYS 100  -4.513 -13.927  -7.363
  834    H    ALA 101           H        ALA 101  -3.647  -8.061  -6.630
  835    HA   ALA 101           HA       ALA 101  -2.678  -7.801  -9.427
  836   1HB   ALA 101          1HB       ALA 101  -2.517  -5.845  -7.098
  837   2HB   ALA 101          2HB       ALA 101  -2.058  -5.549  -8.774
  838   3HB   ALA 101          3HB       ALA 101  -3.762  -5.849  -8.374
  839    H    THR 102           H        THR 102  -1.428  -9.110  -6.501
  840    HA   THR 102           HA       THR 102   1.362  -8.840  -7.577
  841    HB   THR 102           HB       THR 102   1.013  -7.834  -5.329
  842    HG1  THR 102           1HG      THR 102   2.701 -10.029  -5.750
  843   1HG2  THR 102          1HG2      THR 102   0.505 -10.744  -4.531
  844   2HG2  THR 102          2HG2      THR 102   1.214  -9.577  -3.438
  845   3HG2  THR 102          3HG2      THR 102  -0.402  -9.282  -4.096
  846    H    GLU 103           H        GLU 103  -1.214 -11.079  -7.083
  847    HA   GLU 103           HA       GLU 103   0.303 -13.333  -8.080
  848   1HB   GLU 103          2HB       GLU 103  -0.541 -14.890  -6.444
  849   2HB   GLU 103          3HB       GLU 103   0.401 -13.659  -5.628
  850   1HG   GLU 103          2HG       GLU 103  -1.322 -13.791  -4.168
  851   2HG   GLU 103          3HG       GLU 103  -1.965 -12.537  -5.184
  852    HHA  HEC 104           HHA      HEC 104   5.125   3.605   0.725
  853    HHB  HEC 104           HHB      HEC 104  -0.277   0.294  -0.343
  854    HHC  HEC 104           HHC      HEC 104  -3.481   5.859  -1.303
  855    HHD  HEC 104           HHD      HEC 104   2.056   9.022  -1.099
  856   1HMA  HEC 104          1HMA      HEC 104   1.944  -1.009   1.554
  857   2HMA  HEC 104          2HMA      HEC 104   1.405  -1.128  -0.137
  858   3HMA  HEC 104          3HMA      HEC 104   3.121  -1.250   0.245
  859   1HAA  HEC 104          1HAA      HEC 104   4.582  -0.043   1.680
  860   2HAA  HEC 104          2HAA      HEC 104   5.221   1.577   1.911
  861   1HBA  HEC 104          1HBA      HEC 104   6.077   1.589  -0.389
  862   2HBA  HEC 104          2HBA      HEC 104   5.335   0.040  -0.706
  863   1HMB  HEC 104          1HMB      HEC 104  -3.592   0.223  -0.496
  864   2HMB  HEC 104          2HMB      HEC 104  -3.474   0.579  -2.236
  865   3HMB  HEC 104          3HMB      HEC 104  -2.121  -0.157  -1.405
  866    HAB  HEC 104           HAB      HEC 104  -4.820   4.365  -1.295
  867   1HBB  HEC 104          1HBB      HEC 104  -5.039   3.229   0.826
  868   2HBB  HEC 104          2HBB      HEC 104  -6.467   3.051  -0.214
  869   3HBB  HEC 104          3HBB      HEC 104  -5.339   1.695  -0.027
  870   1HMC  HEC 104          1HMC      HEC 104  -3.147   9.510  -2.148
  871   2HMC  HEC 104          2HMC      HEC 104  -3.403   7.911  -2.864
  872   3HMC  HEC 104          3HMC      HEC 104  -3.910   8.230  -1.203
  873    HAC  HEC 104           HAC      HEC 104   0.725  10.175  -2.063
  874   1HBC  HEC 104          1HBC      HEC 104  -0.567  11.063  -0.217
  875   2HBC  HEC 104          2HBC      HEC 104  -0.585  12.109  -1.652
  876   3HBC  HEC 104          3HBC      HEC 104  -2.009  11.134  -1.249
  877   1HMD  HEC 104          1HMD      HEC 104   5.457   9.071   0.112
  878   2HMD  HEC 104          2HMD      HEC 104   5.217   8.724  -1.603
  879   3HMD  HEC 104          3HMD      HEC 104   4.002   9.614  -0.680
  880   1HAD  HEC 104          1HAD      HEC 104   6.493   5.256   0.857
  881   2HAD  HEC 104          2HAD      HEC 104   6.282   6.849   1.565
  882   1HBD  HEC 104          1HBD      HEC 104   7.094   7.892  -0.528
  883   2HBD  HEC 104          2HBD      HEC 104   7.046   6.351  -1.334
  Start of MODEL   29
    1   1H    THR  -5          H1        THR  -5 -14.080  -5.877  10.795
    2   2H    THR  -5          H2        THR  -5 -13.093  -5.747  12.101
    3   3H    THR  -5          H3        THR  -5 -14.614  -6.353  12.269
    4    HA   THR  -5           HA       THR  -5 -12.998  -8.110  12.383
    5    HB   THR  -5           HB       THR  -5 -15.142  -8.668  11.447
    6    HG1  THR  -5           1HG      THR  -5 -13.382 -10.042   9.773
    7   1HG2  THR  -5          1HG2      THR  -5 -14.018  -8.164   8.666
    8   2HG2  THR  -5          2HG2      THR  -5 -15.556  -8.954   9.080
    9   3HG2  THR  -5          3HG2      THR  -5 -15.324  -7.249   9.452
   10    H    GLU  -4           H        GLU  -4 -11.123  -8.624  12.023
   11    HA   GLU  -4           HA       GLU  -4  -9.262  -7.041  10.777
   12   1HB   GLU  -4          2HB       GLU  -4  -8.952  -9.952  11.656
   13   2HB   GLU  -4          3HB       GLU  -4  -7.647  -8.792  11.407
   14   1HG   GLU  -4          2HG       GLU  -4  -7.969  -8.837  13.738
   15   2HG   GLU  -4          3HG       GLU  -4  -8.702  -7.333  13.216
   16    H    PHE  -3           H        PHE  -3 -10.796  -9.882   9.437
   17    HA   PHE  -3           HA       PHE  -3 -10.390  -8.706   6.862
   18   1HB   PHE  -3          2HB       PHE  -3  -8.471 -10.349   6.992
   19   2HB   PHE  -3          3HB       PHE  -3  -9.645 -11.643   7.187
   20    HD1  PHE  -3           HD1      PHE  -3  -9.029  -8.718   4.870
   21    HD2  PHE  -3           HD2      PHE  -3 -10.016 -12.895   5.215
   22    HE1  PHE  -3           HE1      PHE  -3  -9.162  -8.899   2.395
   23    HE2  PHE  -3           HE2      PHE  -3 -10.047 -13.090   2.746
   24    HZ   PHE  -3           HZ       PHE  -3  -9.642 -11.061   1.319
   25    H    LYS  -2           H        LYS  -2 -12.068  -9.523   5.362
   26    HA   LYS  -2           HA       LYS  -2 -13.374 -11.996   5.976
   27   1HB   LYS  -2          2HB       LYS  -2 -14.801 -10.005   7.156
   28   2HB   LYS  -2          3HB       LYS  -2 -15.471  -9.893   5.536
   29   1HG   LYS  -2          2HG       LYS  -2 -15.481 -12.655   5.984
   30   2HG   LYS  -2          3HG       LYS  -2 -15.692 -12.047   7.620
   31   1HD   LYS  -2          2HD       LYS  -2 -17.731 -10.839   6.906
   32   2HD   LYS  -2          3HD       LYS  -2 -17.437 -11.342   5.216
   33   1HE   LYS  -2          2HE       LYS  -2 -17.472 -13.740   5.978
   34   2HE   LYS  -2          3HE       LYS  -2 -17.920 -13.196   7.601
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.511 -12.797   5.128
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.862 -13.851   6.336
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.946 -12.234   6.612
   38    H    ALA  -1           H        ALA  -1 -11.979 -10.442   3.783
   39    HA   ALA  -1           HA       ALA  -1 -11.878 -10.129   1.581
   40   1HB   ALA  -1          1HB       ALA  -1 -13.920 -12.358   1.284
   41   2HB   ALA  -1          2HB       ALA  -1 -12.731 -11.818   0.088
   42   3HB   ALA  -1          3HB       ALA  -1 -12.185 -12.614   1.572
   43    H    GLY   1           H        GLY   1 -12.863  -9.580  -0.372
   44   1HA   GLY   1          1HA       GLY   1 -15.600  -8.463  -0.442
   45   2HA   GLY   1          2HA       GLY   1 -14.257  -7.341  -0.740
   46    H    SER   2           H        SER   2 -14.396  -7.019  -2.969
   47    HA   SER   2           HA       SER   2 -14.013  -9.474  -4.696
   48   1HB   SER   2          2HB       SER   2 -16.275  -8.676  -5.043
   49   2HB   SER   2          3HB       SER   2 -15.674  -7.037  -5.329
   50    HG   SER   2           HG       SER   2 -15.747  -9.185  -7.004
   51    H    ALA   3           H        ALA   3 -12.358  -9.448  -6.070
   52    HA   ALA   3           HA       ALA   3 -10.348  -7.492  -5.989
   53   1HB   ALA   3          1HB       ALA   3 -10.909  -9.521  -8.194
   54   2HB   ALA   3          2HB       ALA   3  -9.368  -8.684  -7.901
   55   3HB   ALA   3          3HB       ALA   3  -9.990  -9.818  -6.696
   56    H    LYS   4           H        LYS   4 -13.220  -7.465  -8.064
   57    HA   LYS   4           HA       LYS   4 -12.116  -5.125  -9.520
   58   1HB   LYS   4          2HB       LYS   4 -14.491  -6.879 -10.025
   59   2HB   LYS   4          3HB       LYS   4 -14.569  -5.191 -10.562
   60   1HG   LYS   4          2HG       LYS   4 -12.377  -5.450 -11.715
   61   2HG   LYS   4          3HG       LYS   4 -12.365  -7.170 -11.293
   62   1HD   LYS   4          2HD       LYS   4 -14.370  -7.561 -12.622
   63   2HD   LYS   4          3HD       LYS   4 -14.573  -5.833 -12.940
   64   1HE   LYS   4          2HE       LYS   4 -12.126  -7.452 -13.786
   65   2HE   LYS   4          3HE       LYS   4 -13.533  -7.202 -14.825
   66   1HZ   LYS   4          1HZ       LYS   4 -11.906  -4.984 -13.709
   67   2HZ   LYS   4          2HZ       LYS   4 -11.730  -5.581 -15.226
   68   3HZ   LYS   4          3HZ       LYS   4 -13.134  -4.849 -14.800
   69    H    LYS   5           H        LYS   5 -13.927  -5.549  -6.817
   70    HA   LYS   5           HA       LYS   5 -15.031  -2.766  -6.687
   71   1HB   LYS   5          2HB       LYS   5 -14.814  -5.033  -4.700
   72   2HB   LYS   5          3HB       LYS   5 -15.115  -3.399  -4.154
   73   1HG   LYS   5          2HG       LYS   5 -16.909  -4.182  -6.372
   74   2HG   LYS   5          3HG       LYS   5 -17.021  -5.282  -5.015
   75   1HD   LYS   5          2HD       LYS   5 -17.059  -2.486  -4.061
   76   2HD   LYS   5          3HD       LYS   5 -18.267  -2.761  -5.304
   77   1HE   LYS   5          2HE       LYS   5 -19.236  -3.171  -3.125
   78   2HE   LYS   5          3HE       LYS   5 -19.202  -4.657  -4.073
   79   1HZ   LYS   5          1HZ       LYS   5 -17.281  -3.965  -1.887
   80   2HZ   LYS   5          2HZ       LYS   5 -18.458  -5.108  -1.808
   81   3HZ   LYS   5          3HZ       LYS   5 -17.114  -5.247  -2.759
   82    H    GLY   6           H        GLY   6 -12.421  -4.581  -5.040
   83   1HA   GLY   6          1HA       GLY   6 -11.067  -2.363  -3.940
   84   2HA   GLY   6          2HA       GLY   6 -10.294  -3.885  -4.396
   85    H    ALA   7           H        ALA   7 -10.624  -3.829  -7.201
   86    HA   ALA   7           HA       ALA   7  -8.692  -2.062  -8.196
   87   1HB   ALA   7          1HB       ALA   7 -11.040  -3.216  -9.759
   88   2HB   ALA   7          2HB       ALA   7  -9.519  -2.601 -10.419
   89   3HB   ALA   7          3HB       ALA   7  -9.513  -4.066  -9.435
   90    H    THR   8           H        THR   8 -12.301  -1.599  -8.566
   91    HA   THR   8           HA       THR   8 -11.895   0.978  -9.773
   92    HB   THR   8           HB       THR   8 -13.902  -0.511 -10.048
   93    HG1  THR   8           1HG      THR   8 -14.227   2.228  -9.475
   94   1HG2  THR   8          1HG2      THR   8 -14.914   0.937  -7.564
   95   2HG2  THR   8          2HG2      THR   8 -15.862  -0.069  -8.676
   96   3HG2  THR   8          3HG2      THR   8 -14.587  -0.803  -7.694
   97    H    LEU   9           H        LEU   9 -11.893   0.130  -6.441
   98    HA   LEU   9           HA       LEU   9 -12.181   2.857  -5.403
   99   1HB   LEU   9          2HB       LEU   9 -11.224   0.203  -4.293
  100   2HB   LEU   9          3HB       LEU   9 -10.925   1.691  -3.400
  101    HG   LEU   9           HG       LEU   9 -13.693   0.965  -4.358
  102   1HD1  LEU   9          1HD1      LEU   9 -12.379   0.200  -1.696
  103   2HD1  LEU   9          2HD1      LEU   9 -14.099  -0.003  -2.097
  104   3HD1  LEU   9          3HD1      LEU   9 -12.879  -0.924  -2.983
  105   1HD2  LEU   9          1HD2      LEU   9 -13.355   3.290  -3.561
  106   2HD2  LEU   9          2HD2      LEU   9 -14.389   2.387  -2.451
  107   3HD2  LEU   9          3HD2      LEU   9 -12.693   2.667  -2.026
  108    H    PHE  10           H        PHE  10  -9.459   0.580  -5.591
  109    HA   PHE  10           HA       PHE  10  -7.323   2.250  -5.002
  110   1HB   PHE  10          2HB       PHE  10  -7.067  -0.151  -5.184
  111   2HB   PHE  10          3HB       PHE  10  -7.456  -0.118  -6.894
  112    HD1  PHE  10           HD1      PHE  10  -5.806   0.450  -8.566
  113    HD2  PHE  10           HD2      PHE  10  -4.861   0.705  -4.370
  114    HE1  PHE  10           HE1      PHE  10  -3.389   0.675  -9.116
  115    HE2  PHE  10           HE2      PHE  10  -2.459   1.054  -4.949
  116    HZ   PHE  10           HZ       PHE  10  -1.728   1.035  -7.309
  117    H    LYS  11           H        LYS  11  -8.765   1.768  -8.204
  118    HA   LYS  11           HA       LYS  11  -6.770   3.152  -9.688
  119   1HB   LYS  11          2HB       LYS  11  -8.752   1.575 -10.431
  120   2HB   LYS  11          3HB       LYS  11  -9.622   3.097 -10.680
  121   1HG   LYS  11          2HG       LYS  11  -7.723   3.834 -12.177
  122   2HG   LYS  11          3HG       LYS  11  -6.912   2.289 -11.848
  123   1HD   LYS  11          2HD       LYS  11  -9.031   1.163 -12.794
  124   2HD   LYS  11          3HD       LYS  11  -9.479   2.759 -13.408
  125   1HE   LYS  11          2HE       LYS  11  -6.943   1.161 -14.027
  126   2HE   LYS  11          3HE       LYS  11  -8.302   1.407 -15.122
  127   1HZ   LYS  11          1HZ       LYS  11  -6.544   3.564 -14.093
  128   2HZ   LYS  11          2HZ       LYS  11  -6.428   2.900 -15.581
  129   3HZ   LYS  11          3HZ       LYS  11  -7.768   3.773 -15.169
  130    H    THR  12           H        THR  12  -9.281   4.573  -7.761
  131    HA   THR  12           HA       THR  12  -8.333   7.295  -8.600
  132    HB   THR  12           HB       THR  12 -10.521   8.178  -7.949
  133    HG1  THR  12           1HG      THR  12 -12.158   6.319  -7.931
  134   1HG2  THR  12          1HG2      THR  12 -10.863   5.930  -9.984
  135   2HG2  THR  12          2HG2      THR  12 -11.855   7.397  -9.826
  136   3HG2  THR  12          3HG2      THR  12 -10.161   7.528 -10.331
  137    H    ARG  13           H        ARG  13  -8.759   5.161  -5.915
  138    HA   ARG  13           HA       ARG  13  -8.312   7.304  -4.008
  139   1HB   ARG  13          2HB       ARG  13  -8.075   4.257  -3.764
  140   2HB   ARG  13          3HB       ARG  13  -7.918   5.333  -2.389
  141   1HG   ARG  13          2HG       ARG  13 -10.468   5.105  -4.062
  142   2HG   ARG  13          3HG       ARG  13 -10.106   4.159  -2.618
  143   1HD   ARG  13          2HD       ARG  13  -9.707   6.600  -1.577
  144   2HD   ARG  13          3HD       ARG  13 -10.796   7.063  -2.904
  145    HE   ARG  13           HE       ARG  13 -11.768   4.774  -1.343
  146   1HH1  ARG  13          1HH2      ARG  13 -11.806   8.276  -1.326
  147   2HH1  ARG  13          2HH2      ARG  13 -13.028   8.310  -0.092
  148   1HH2  ARG  13          1HH1      ARG  13 -13.178   4.866   0.238
  149   2HH2  ARG  13          2HH1      ARG  13 -13.800   6.401   0.790
  150    H    CYS  14           H        CYS  14  -6.187   4.856  -5.460
  151    HA   CYS  14           HA       CYS  14  -3.886   5.880  -3.826
  152   1HB   CYS  14          2HB       CYS  14  -4.344   3.168  -5.010
  153   2HB   CYS  14          3HB       CYS  14  -3.087   3.589  -3.864
  154    H    LEU  15           H        LEU  15  -4.865   4.748  -7.091
  155    HA   LEU  15           HA       LEU  15  -2.338   4.550  -8.210
  156   1HB   LEU  15          2HB       LEU  15  -4.617   3.841  -9.127
  157   2HB   LEU  15          3HB       LEU  15  -4.796   5.503  -9.695
  158    HG   LEU  15           HG       LEU  15  -2.464   5.061 -10.888
  159   1HD1  LEU  15          1HD1      LEU  15  -3.488   2.210 -10.689
  160   2HD1  LEU  15          2HD1      LEU  15  -2.025   2.781 -11.501
  161   3HD1  LEU  15          3HD1      LEU  15  -2.113   2.821  -9.734
  162   1HD2  LEU  15          1HD2      LEU  15  -4.585   5.411 -12.064
  163   2HD2  LEU  15          2HD2      LEU  15  -3.600   4.152 -12.841
  164   3HD2  LEU  15          3HD2      LEU  15  -4.995   3.694 -11.835
  165    H    GLN  16           H        GLN  16  -3.955   7.536  -7.396
  166    HA   GLN  16           HA       GLN  16  -2.531   9.385  -8.993
  167   1HB   GLN  16          2HB       GLN  16  -2.917  10.983  -7.205
  168   2HB   GLN  16          3HB       GLN  16  -4.359  10.049  -7.576
  169   1HG   GLN  16          2HG       GLN  16  -3.939   8.612  -5.564
  170   2HG   GLN  16          3HG       GLN  16  -2.524   9.612  -5.176
  171   1HE2  GLN  16          2HE2      GLN  16  -5.252   9.158  -3.672
  172   2HE2  GLN  16          1HE2      GLN  16  -5.735  10.859  -3.521
  173    H    CYS  17           H        CYS  17  -1.364   7.451  -6.254
  174    HA   CYS  17           HA       CYS  17   1.337   8.719  -6.483
  175   1HB   CYS  17          2HB       CYS  17  -0.073   7.534  -4.101
  176   2HB   CYS  17          3HB       CYS  17   1.615   8.033  -4.127
  177    H    HIS  18           H        HIS  18  -0.277   5.791  -7.127
  178    HA   HIS  18           HA       HIS  18   2.273   4.236  -6.946
  179   1HB   HIS  18          1HB       HIS  18  -0.486   3.568  -5.844
  180   2HB   HIS  18          2HB       HIS  18   0.674   2.312  -6.235
  181    HD1  HIS  18           HD1      HIS  18   3.088   2.443  -4.889
  182    HD2  HIS  18           HD2      HIS  18  -0.155   4.736  -3.493
  183    HE1  HIS  18           HE1      HIS  18   3.646   3.112  -2.495
  184    H    THR  19           H        THR  19   2.175   2.156  -8.107
  185    HA   THR  19           HA       THR  19   0.227   1.967 -10.350
  186    HB   THR  19           HB       THR  19   1.984   1.212 -11.841
  187    HG1  THR  19           1HG      THR  19   4.180   1.763 -11.229
  188   1HG2  THR  19          1HG2      THR  19   2.742   3.936 -10.713
  189   2HG2  THR  19          2HG2      THR  19   2.976   3.353 -12.364
  190   3HG2  THR  19          3HG2      THR  19   1.336   3.643 -11.769
  191    H    VAL  20           H        VAL  20  -0.082  -0.222 -11.127
  192    HA   VAL  20           HA       VAL  20   1.192  -2.396  -9.549
  193    HB   VAL  20           HB       VAL  20  -0.739  -3.798  -9.613
  194   1HG1  VAL  20          1HG1      VAL  20  -1.322  -1.158  -8.236
  195   2HG1  VAL  20          2HG1      VAL  20  -2.137  -2.703  -7.893
  196   3HG1  VAL  20          3HG1      VAL  20  -0.409  -2.534  -7.588
  197   1HG2  VAL  20          1HG2      VAL  20  -1.957  -2.828 -11.567
  198   2HG2  VAL  20          2HG2      VAL  20  -2.948  -3.125 -10.164
  199   3HG2  VAL  20          3HG2      VAL  20  -2.433  -1.456 -10.549
  200    H    GLU  21           H        GLU  21  -0.244  -1.339 -12.698
  201    HA   GLU  21           HA       GLU  21   0.675  -3.701 -14.038
  202   1HB   GLU  21          2HB       GLU  21   0.350  -0.935 -15.195
  203   2HB   GLU  21          3HB       GLU  21   0.485  -2.439 -16.078
  204   1HG   GLU  21          2HG       GLU  21  -1.732  -2.643 -16.073
  205   2HG   GLU  21          3HG       GLU  21  -1.661  -2.971 -14.351
  206    H    LYS  22           H        LYS  22   2.410  -3.662 -15.634
  207    HA   LYS  22           HA       LYS  22   4.926  -3.085 -14.230
  208   1HB   LYS  22          2HB       LYS  22   3.969  -5.151 -15.829
  209   2HB   LYS  22          3HB       LYS  22   5.036  -4.324 -16.954
  210   1HG   LYS  22          2HG       LYS  22   6.951  -4.858 -15.703
  211   2HG   LYS  22          3HG       LYS  22   6.075  -4.927 -14.177
  212   1HD   LYS  22          2HD       LYS  22   4.857  -7.015 -15.103
  213   2HD   LYS  22          3HD       LYS  22   6.015  -6.956 -16.424
  214   1HE   LYS  22          2HE       LYS  22   7.027  -8.469 -14.934
  215   2HE   LYS  22          3HE       LYS  22   7.817  -6.948 -14.485
  216   1HZ   LYS  22          1HZ       LYS  22   5.519  -8.237 -13.105
  217   2HZ   LYS  22          2HZ       LYS  22   7.031  -8.040 -12.492
  218   3HZ   LYS  22          3HZ       LYS  22   6.024  -6.741 -12.734
  219    H    GLY  23           H        GLY  23   6.753  -2.041 -15.312
  220   1HA   GLY  23          1HA       GLY  23   7.760  -0.379 -16.614
  221   2HA   GLY  23          2HA       GLY  23   6.320  -0.291 -17.624
  222    H    GLY  24           H        GLY  24   4.370   0.377 -15.715
  223   1HA   GLY  24          1HA       GLY  24   4.288   3.082 -15.334
  224   2HA   GLY  24          2HA       GLY  24   3.527   1.932 -14.246
  225    HA   PRO  25           HA       PRO  25   7.905   3.107 -12.638
  226   1HB   PRO  25          2HB       PRO  25   8.737   5.710 -12.850
  227   2HB   PRO  25          3HB       PRO  25   8.828   4.541 -14.207
  228   1HG   PRO  25          2HG       PRO  25   6.632   6.568 -13.654
  229   2HG   PRO  25          3HG       PRO  25   7.549   6.325 -15.178
  230   1HD   PRO  25          2HD       PRO  25   5.120   5.174 -14.786
  231   2HD   PRO  25          3HD       PRO  25   6.424   4.299 -15.638
  232    H    HIS  26           H        HIS  26   8.858   4.372 -10.778
  233    HA   HIS  26           HA       HIS  26   7.088   4.619  -8.563
  234   1HB   HIS  26          2HB       HIS  26   9.842   5.856  -8.900
  235   2HB   HIS  26          3HB       HIS  26   9.001   5.522  -7.388
  236    HD1  HIS  26           HD1      HIS  26   8.232   2.498  -7.737
  237    HD2  HIS  26           HD2      HIS  26  11.869   4.241  -8.931
  238    HE1  HIS  26           HE1      HIS  26   9.989   0.629  -7.732
  239    H    LYS  27           H        LYS  27   5.565   5.999  -8.422
  240    HA   LYS  27           HA       LYS  27   5.588   8.804  -9.360
  241   1HB   LYS  27          2HB       LYS  27   3.615   6.860  -8.100
  242   2HB   LYS  27          3HB       LYS  27   3.225   8.584  -8.123
  243   1HG   LYS  27          2HG       LYS  27   3.333   8.667 -10.522
  244   2HG   LYS  27          3HG       LYS  27   3.818   6.968 -10.621
  245   1HD   LYS  27          2HD       LYS  27   1.723   6.170 -10.176
  246   2HD   LYS  27          3HD       LYS  27   1.331   7.431  -9.022
  247   1HE   LYS  27          2HE       LYS  27   1.319   7.808 -12.037
  248   2HE   LYS  27          3HE       LYS  27  -0.096   7.449 -11.031
  249   1HZ   LYS  27          1HZ       LYS  27   1.596   9.877 -10.769
  250   2HZ   LYS  27          2HZ       LYS  27   0.059   9.829 -11.361
  251   3HZ   LYS  27          3HZ       LYS  27   0.352   9.496  -9.781
  252    H    VAL  28           H        VAL  28   4.068   9.690  -6.993
  253    HA   VAL  28           HA       VAL  28   5.951  10.656  -5.137
  254    HB   VAL  28           HB       VAL  28   3.093   9.828  -4.504
  255   1HG1  VAL  28          1HG1      VAL  28   4.906  11.982  -3.328
  256   2HG1  VAL  28          2HG1      VAL  28   3.202  11.729  -2.898
  257   3HG1  VAL  28          3HG1      VAL  28   4.394  10.486  -2.521
  258   1HG2  VAL  28          1HG2      VAL  28   2.973  11.241  -6.496
  259   2HG2  VAL  28          2HG2      VAL  28   2.450  12.164  -5.093
  260   3HG2  VAL  28          3HG2      VAL  28   4.078  12.423  -5.753
  261    H    GLY  29           H        GLY  29   4.104   7.569  -5.103
  262   1HA   GLY  29          1HA       GLY  29   6.159   6.411  -3.302
  263   2HA   GLY  29          2HA       GLY  29   4.470   5.888  -3.316
  264    HA   PRO  30           HA       PRO  30   7.226   3.609  -6.355
  265   1HB   PRO  30          2HB       PRO  30   7.587   1.170  -5.114
  266   2HB   PRO  30          3HB       PRO  30   8.504   2.642  -4.706
  267   1HG   PRO  30          2HG       PRO  30   6.011   1.569  -3.337
  268   2HG   PRO  30          3HG       PRO  30   7.575   2.063  -2.598
  269   1HD   PRO  30          2HD       PRO  30   5.500   3.778  -2.668
  270   2HD   PRO  30          3HD       PRO  30   7.157   4.331  -2.908
  271    H    ASN  31           H        ASN  31   6.901   0.936  -6.916
  272    HA   ASN  31           HA       ASN  31   4.210   0.676  -8.123
  273   1HB   ASN  31          2HB       ASN  31   6.187   0.149  -9.520
  274   2HB   ASN  31          3HB       ASN  31   6.813  -0.921  -8.264
  275   1HD2  ASN  31          2HD2      ASN  31   4.044  -0.561 -10.542
  276   2HD2  ASN  31          1HD2      ASN  31   3.811  -2.296 -10.673
  277    H    LEU  32           H        LEU  32   2.963  -1.271  -7.592
  278    HA   LEU  32           HA       LEU  32   3.530  -2.534  -4.960
  279   1HB   LEU  32          2HB       LEU  32   0.890  -1.552  -6.089
  280   2HB   LEU  32          3HB       LEU  32   1.089  -2.434  -4.584
  281    HG   LEU  32           HG       LEU  32   2.169   0.347  -5.169
  282   1HD1  LEU  32          1HD1      LEU  32  -0.158  -0.624  -3.444
  283   2HD1  LEU  32          2HD1      LEU  32   0.420   1.049  -3.530
  284   3HD1  LEU  32          3HD1      LEU  32  -0.267   0.275  -4.975
  285   1HD2  LEU  32          1HD2      LEU  32   3.607  -0.743  -3.509
  286   2HD2  LEU  32          2HD2      LEU  32   2.572   0.427  -2.686
  287   3HD2  LEU  32          3HD2      LEU  32   2.185  -1.302  -2.602
  288    H    HIS  33           H        HIS  33   4.354  -3.729  -7.390
  289    HA   HIS  33           HA       HIS  33   2.688  -6.121  -7.820
  290   1HB   HIS  33          2HB       HIS  33   5.648  -5.520  -8.206
  291   2HB   HIS  33          3HB       HIS  33   4.955  -7.114  -8.496
  292    HD1  HIS  33           HD1      HIS  33   2.307  -6.198 -10.126
  293    HD2  HIS  33           HD2      HIS  33   6.340  -5.095 -10.698
  294    HE1  HIS  33           HE1      HIS  33   2.620  -5.867 -12.616
  295    H    GLY  34           H        GLY  34   5.680  -7.115  -6.737
  296   1HA   GLY  34          1HA       GLY  34   4.416  -8.932  -4.880
  297   2HA   GLY  34          2HA       GLY  34   6.114  -8.928  -5.336
  298    H    ILE  35           H        ILE  35   4.050  -6.531  -3.665
  299    HA   ILE  35           HA       ILE  35   6.111  -6.056  -1.677
  300    HB   ILE  35           HB       ILE  35   4.673  -4.515  -0.611
  301   1HG1  ILE  35          2HG1      ILE  35   2.537  -5.572  -0.569
  302   2HG1  ILE  35          3HG1      ILE  35   2.453  -3.937  -1.202
  303   1HG2  ILE  35          1HG2      ILE  35   4.411  -4.196  -3.621
  304   2HG2  ILE  35          2HG2      ILE  35   4.356  -2.903  -2.396
  305   3HG2  ILE  35          3HG2      ILE  35   5.847  -3.819  -2.671
  306   1HD1  ILE  35          1HD1      ILE  35   2.171  -6.489  -2.815
  307   2HD1  ILE  35          2HD1      ILE  35   0.908  -5.323  -2.407
  308   3HD1  ILE  35          3HD1      ILE  35   2.199  -4.841  -3.508
  309    H    PHE  36           H        PHE  36   3.268  -8.121  -1.703
  310    HA   PHE  36           HA       PHE  36   3.142  -8.617   1.102
  311   1HB   PHE  36          2HB       PHE  36   2.142 -10.173  -1.296
  312   2HB   PHE  36          3HB       PHE  36   1.874 -10.678   0.369
  313    HD1  PHE  36           HD1      PHE  36   0.669  -8.509  -2.277
  314    HD2  PHE  36           HD2      PHE  36   0.707  -9.078   2.001
  315    HE1  PHE  36           HE1      PHE  36  -1.248  -6.978  -2.059
  316    HE2  PHE  36           HE2      PHE  36  -1.219  -7.542   2.221
  317    HZ   PHE  36           HZ       PHE  36  -2.213  -6.489   0.205
  318    H    GLY  37           H        GLY  37   4.392  -9.672   2.313
  319   1HA   GLY  37          1HA       GLY  37   5.899 -11.346   3.107
  320   2HA   GLY  37          2HA       GLY  37   6.161 -11.904   1.468
  321    H    ARG  38           H        ARG  38   6.648  -8.712   1.127
  322    HA   ARG  38           HA       ARG  38   9.581  -8.780   1.713
  323   1HB   ARG  38          2HB       ARG  38   7.847  -7.477  -0.324
  324   2HB   ARG  38          3HB       ARG  38   8.977  -6.374   0.392
  325   1HG   ARG  38          2HG       ARG  38   9.897  -9.032  -0.756
  326   2HG   ARG  38          3HG       ARG  38   9.604  -7.613  -1.787
  327   1HD   ARG  38          2HD       ARG  38  11.120  -6.262  -0.371
  328   2HD   ARG  38          3HD       ARG  38  11.477  -7.700   0.590
  329    HE   ARG  38           HE       ARG  38  12.327  -8.633  -1.722
  330   1HH1  ARG  38          1HH2      ARG  38  12.752  -5.168  -0.859
  331   2HH1  ARG  38          2HH2      ARG  38  14.216  -5.171  -1.848
  332   1HH2  ARG  38          1HH1      ARG  38  14.258  -8.285  -2.943
  333   2HH2  ARG  38          2HH1      ARG  38  14.940  -6.665  -2.799
  334    H    HIS  39           H        HIS  39  10.284  -6.281   2.238
  335    HA   HIS  39           HA       HIS  39   8.788  -5.634   4.733
  336   1HB   HIS  39          2HB       HIS  39  11.789  -5.797   4.332
  337   2HB   HIS  39          3HB       HIS  39  11.003  -5.088   5.743
  338    HD1  HIS  39           HD1      HIS  39  11.598  -8.573   4.169
  339    HD2  HIS  39           HD2      HIS  39   9.799  -6.720   7.506
  340    HE1  HIS  39           HE1      HIS  39  10.985 -10.432   5.793
  341    H    SER  40           H        SER  40   8.821  -3.463   5.434
  342    HA   SER  40           HA       SER  40   8.010  -1.715   3.552
  343   1HB   SER  40          2HB       SER  40   8.089  -0.024   5.415
  344   2HB   SER  40          3HB       SER  40   7.322  -1.575   5.787
  345    HG   SER  40           HG       SER  40   9.780  -0.525   6.626
  346    H    GLY  41           H        GLY  41   9.104  -1.067   1.856
  347   1HA   GLY  41          1HA       GLY  41  10.412   0.850   0.998
  348   2HA   GLY  41          2HA       GLY  41  11.649   0.531   2.205
  349    H    GLN  42           H        GLN  42  10.148  -0.709  -0.748
  350    HA   GLN  42           HA       GLN  42  12.236  -2.806  -0.958
  351   1HB   GLN  42          2HB       GLN  42   9.579  -2.423  -2.341
  352   2HB   GLN  42          3HB       GLN  42  10.594  -3.873  -2.435
  353   1HG   GLN  42          2HG       GLN  42  10.282  -4.300  -0.057
  354   2HG   GLN  42          3HG       GLN  42   9.419  -2.774   0.168
  355   1HE2  GLN  42          2HE2      GLN  42   7.326  -2.998   0.308
  356   2HE2  GLN  42          1HE2      GLN  42   6.409  -4.261  -0.546
  357    H    ALA  43           H        ALA  43  11.283   0.012  -2.784
  358    HA   ALA  43           HA       ALA  43  12.536  -0.849  -5.275
  359   1HB   ALA  43          1HB       ALA  43  11.553   1.872  -4.320
  360   2HB   ALA  43          2HB       ALA  43  12.126   1.491  -5.948
  361   3HB   ALA  43          3HB       ALA  43  10.664   0.704  -5.307
  362    H    GLU  44           H        GLU  44  14.514  -1.541  -4.484
  363    HA   GLU  44           HA       GLU  44  16.445  -0.286  -2.969
  364   1HB   GLU  44          2HB       GLU  44  16.576  -2.345  -5.178
  365   2HB   GLU  44          3HB       GLU  44  18.016  -1.906  -4.247
  366   1HG   GLU  44          2HG       GLU  44  17.199  -2.748  -2.238
  367   2HG   GLU  44          3HG       GLU  44  15.519  -2.611  -2.713
  368    H    GLY  45           H        GLY  45  15.565   1.062  -5.858
  369   1HA   GLY  45          1HA       GLY  45  18.135   2.596  -6.112
  370   2HA   GLY  45          2HA       GLY  45  17.080   2.273  -7.479
  371    H    TYR  46           H        TYR  46  15.285   2.959  -4.609
  372    HA   TYR  46           HA       TYR  46  14.878   5.821  -5.367
  373   1HB   TYR  46          2HB       TYR  46  13.255   4.241  -6.480
  374   2HB   TYR  46          3HB       TYR  46  12.734   3.731  -4.894
  375    HD1  TYR  46           HD1      TYR  46  12.350   6.222  -7.489
  376    HD2  TYR  46           HD2      TYR  46  11.803   5.484  -3.290
  377    HE1  TYR  46           HE1      TYR  46  10.595   7.999  -7.409
  378    HE2  TYR  46           HE2      TYR  46  10.013   7.262  -3.222
  379    HH   TYR  46           HH       TYR  46   8.547   8.578  -5.947
  380    H    SER  47           H        SER  47  15.052   7.097  -3.653
  381    HA   SER  47           HA       SER  47  15.562   5.957  -1.058
  382   1HB   SER  47          2HB       SER  47  15.526   8.870  -1.915
  383   2HB   SER  47          3HB       SER  47  16.240   8.214  -0.429
  384    HG   SER  47           HG       SER  47  17.820   8.398  -2.071
  385    H    TYR  48           H        TYR  48  13.744   5.234  -0.010
  386    HA   TYR  48           HA       TYR  48  11.266   6.546   0.401
  387   1HB   TYR  48          2HB       TYR  48  12.685   4.338   1.935
  388   2HB   TYR  48          3HB       TYR  48  11.041   4.859   2.289
  389    HD1  TYR  48           HD1      TYR  48   9.213   3.934   1.230
  390    HD2  TYR  48           HD2      TYR  48  13.128   3.397  -0.514
  391    HE1  TYR  48           HE1      TYR  48   8.279   2.300  -0.386
  392    HE2  TYR  48           HE2      TYR  48  12.122   1.891  -2.202
  393    HH   TYR  48           HH       TYR  48   8.963   0.537  -1.801
  394    H    THR  49           H        THR  49  12.160   5.805   3.575
  395    HA   THR  49           HA       THR  49  13.273   8.394   4.380
  396    HB   THR  49           HB       THR  49  11.697   8.637   6.232
  397    HG1  THR  49           1HG      THR  49   9.701   7.368   6.019
  398   1HG2  THR  49          1HG2      THR  49  10.037   8.386   3.701
  399   2HG2  THR  49          2HG2      THR  49   9.691   9.378   5.134
  400   3HG2  THR  49          3HG2      THR  49  11.080   9.777   4.103
  401    H    ASP  50           H        ASP  50  14.218   8.213   6.566
  402    HA   ASP  50           HA       ASP  50  15.383   5.779   7.419
  403   1HB   ASP  50          2HB       ASP  50  16.080   8.029   8.135
  404   2HB   ASP  50          3HB       ASP  50  14.538   8.284   8.947
  405    H    ALA  51           H        ALA  51  12.429   7.354   8.642
  406    HA   ALA  51           HA       ALA  51  11.702   5.458  10.516
  407   1HB   ALA  51          1HB       ALA  51   9.914   7.416   9.008
  408   2HB   ALA  51          2HB       ALA  51   9.595   6.705  10.605
  409   3HB   ALA  51          3HB       ALA  51  10.948   7.820  10.398
  410    H    ASN  52           H        ASN  52  10.819   5.388   7.064
  411    HA   ASN  52           HA       ASN  52   8.908   3.179   7.409
  412   1HB   ASN  52          2HB       ASN  52   8.570   4.778   5.604
  413   2HB   ASN  52          3HB       ASN  52  10.162   4.420   4.925
  414   1HD2  ASN  52          2HD2      ASN  52  10.268   2.657   3.418
  415   2HD2  ASN  52          1HD2      ASN  52   8.860   1.641   3.168
  416    H    ILE  53           H        ILE  53  12.284   3.462   6.263
  417    HA   ILE  53           HA       ILE  53  12.624   0.679   5.565
  418    HB   ILE  53           HB       ILE  53  14.563   2.855   6.349
  419   1HG1  ILE  53          2HG1      ILE  53  13.998   1.604   3.609
  420   2HG1  ILE  53          3HG1      ILE  53  13.225   3.074   4.182
  421   1HG2  ILE  53          1HG2      ILE  53  15.243   0.101   5.207
  422   2HG2  ILE  53          2HG2      ILE  53  16.400   1.429   5.451
  423   3HG2  ILE  53          3HG2      ILE  53  15.645   0.671   6.840
  424   1HD1  ILE  53          1HD1      ILE  53  16.189   2.733   3.625
  425   2HD1  ILE  53          2HD1      ILE  53  15.019   3.720   2.741
  426   3HD1  ILE  53          3HD1      ILE  53  15.470   4.166   4.400
  427    H    LYS  54           H        LYS  54  13.832   2.422   8.429
  428    HA   LYS  54           HA       LYS  54  14.135   0.119  10.109
  429   1HB   LYS  54          2HB       LYS  54  13.984   3.104  10.676
  430   2HB   LYS  54          3HB       LYS  54  14.556   1.868  11.806
  431   1HG   LYS  54          2HG       LYS  54  16.447   1.327  10.449
  432   2HG   LYS  54          3HG       LYS  54  15.855   2.184   9.055
  433   1HD   LYS  54          2HD       LYS  54  17.607   3.489  10.048
  434   2HD   LYS  54          3HD       LYS  54  16.043   4.293  10.052
  435   1HE   LYS  54          2HE       LYS  54  15.874   3.364  12.530
  436   2HE   LYS  54          3HE       LYS  54  17.636   3.210  12.384
  437   1HZ   LYS  54          1HZ       LYS  54  16.004   5.664  11.996
  438   2HZ   LYS  54          2HZ       LYS  54  17.101   5.446  13.212
  439   3HZ   LYS  54          3HZ       LYS  54  17.499   5.654  11.594
  440    H    LYS  55           H        LYS  55  11.294   1.076   8.934
  441    HA   LYS  55           HA       LYS  55   9.750   0.651  11.451
  442   1HB   LYS  55          2HB       LYS  55   8.786   1.831   9.270
  443   2HB   LYS  55          3HB       LYS  55   8.590   0.195   8.682
  444   1HG   LYS  55          2HG       LYS  55   6.534   0.847   9.657
  445   2HG   LYS  55          3HG       LYS  55   7.247  -0.327  10.750
  446   1HD   LYS  55          2HD       LYS  55   8.023   2.451  11.423
  447   2HD   LYS  55          3HD       LYS  55   6.281   2.196  11.395
  448   1HE   LYS  55          2HE       LYS  55   6.528   0.239  12.900
  449   2HE   LYS  55          3HE       LYS  55   8.256   0.596  13.046
  450   1HZ   LYS  55          1HZ       LYS  55   6.093   2.541  13.682
  451   2HZ   LYS  55          2HZ       LYS  55   6.841   1.611  14.821
  452   3HZ   LYS  55          3HZ       LYS  55   7.688   2.748  13.974
  453    H    ASN  56           H        ASN  56  11.061  -1.123   8.784
  454    HA   ASN  56           HA       ASN  56  10.999  -3.246   8.064
  455   1HB   ASN  56          2HB       ASN  56  11.601  -3.641  11.023
  456   2HB   ASN  56          3HB       ASN  56  11.885  -4.863   9.781
  457   1HD2  ASN  56          2HD2      ASN  56  13.239  -4.078   7.833
  458   2HD2  ASN  56          1HD2      ASN  56  14.529  -2.949   8.291
  459    H    VAL  57           H        VAL  57   8.405  -2.360   8.335
  460    HA   VAL  57           HA       VAL  57   6.685  -4.476   9.431
  461    HB   VAL  57           HB       VAL  57   6.264  -2.091   7.649
  462   1HG1  VAL  57          1HG1      VAL  57   4.357  -4.450   7.863
  463   2HG1  VAL  57          2HG1      VAL  57   3.831  -2.805   7.431
  464   3HG1  VAL  57          3HG1      VAL  57   4.963  -3.662   6.394
  465   1HG2  VAL  57          1HG2      VAL  57   6.128  -2.072  10.174
  466   2HG2  VAL  57          2HG2      VAL  57   4.652  -1.527   9.342
  467   3HG2  VAL  57          3HG2      VAL  57   4.747  -3.156  10.056
  468    H    LEU  58           H        LEU  58   6.805  -6.426   8.775
  469    HA   LEU  58           HA       LEU  58   7.357  -7.264   6.013
  470   1HB   LEU  58          2HB       LEU  58   7.767  -8.639   8.145
  471   2HB   LEU  58          3HB       LEU  58   6.028  -8.872   8.228
  472    HG   LEU  58           HG       LEU  58   7.809  -9.685   5.866
  473   1HD1  LEU  58          1HD1      LEU  58   6.563 -11.370   8.082
  474   2HD1  LEU  58          2HD1      LEU  58   7.539 -11.970   6.721
  475   3HD1  LEU  58          3HD1      LEU  58   8.285 -10.934   7.953
  476   1HD2  LEU  58          1HD2      LEU  58   5.590  -9.471   4.997
  477   2HD2  LEU  58          2HD2      LEU  58   5.812 -11.186   5.335
  478   3HD2  LEU  58          3HD2      LEU  58   4.864 -10.192   6.458
  479    H    TRP  59           H        TRP  59   5.916  -6.644   4.528
  480    HA   TRP  59           HA       TRP  59   3.226  -5.837   5.183
  481   1HB   TRP  59          2HB       TRP  59   4.528  -6.538   2.525
  482   2HB   TRP  59          3HB       TRP  59   2.934  -5.809   2.671
  483    HD1  TRP  59           HD1      TRP  59   6.357  -4.818   2.011
  484    HE1  TRP  59           HE1      TRP  59   6.586  -2.236   2.246
  485    HE3  TRP  59           HE3      TRP  59   2.195  -3.825   4.799
  486    HZ2  TRP  59           HZ2      TRP  59   5.458  -0.188   3.809
  487    HZ3  TRP  59           HZ3      TRP  59   1.777  -1.533   5.640
  488    HH2  TRP  59           HH2      TRP  59   3.430   0.298   5.207
  489    H    ASP  60           H        ASP  60   2.218  -7.479   6.224
  490    HA   ASP  60           HA       ASP  60   1.357  -9.890   4.688
  491   1HB   ASP  60          2HB       ASP  60   2.219  -9.943   7.079
  492   2HB   ASP  60          3HB       ASP  60   0.703  -9.188   7.572
  493    H    GLU  61           H        GLU  61  -0.985 -10.421   5.113
  494    HA   GLU  61           HA       GLU  61  -2.610  -8.439   3.704
  495   1HB   GLU  61          2HB       GLU  61  -3.478 -11.014   5.066
  496   2HB   GLU  61          3HB       GLU  61  -4.525  -9.964   4.104
  497   1HG   GLU  61          2HG       GLU  61  -2.856 -10.206   2.190
  498   2HG   GLU  61          3HG       GLU  61  -2.067 -11.471   3.129
  499    H    ASN  62           H        ASN  62  -2.743  -9.488   7.174
  500    HA   ASN  62           HA       ASN  62  -4.522  -7.323   7.888
  501   1HB   ASN  62          2HB       ASN  62  -4.202  -8.076  10.099
  502   2HB   ASN  62          3HB       ASN  62  -4.374  -9.506   9.088
  503   1HD2  ASN  62          2HD2      ASN  62  -3.053  -9.147  11.828
  504   2HD2  ASN  62          1HD2      ASN  62  -1.430  -9.781  11.461
  505    H    ASN  63           H        ASN  63  -0.957  -7.789   8.287
  506    HA   ASN  63           HA       ASN  63  -0.496  -5.383   9.661
  507   1HB   ASN  63          2HB       ASN  63   1.071  -7.346   9.376
  508   2HB   ASN  63          3HB       ASN  63   1.483  -6.738   7.784
  509   1HD2  ASN  63          2HD2      ASN  63   1.314  -3.768   9.094
  510   2HD2  ASN  63          1HD2      ASN  63   2.913  -3.821   9.829
  511    H    MET  64           H        MET  64  -0.539  -5.813   6.079
  512    HA   MET  64           HA       MET  64   0.187  -3.055   5.532
  513   1HB   MET  64          2HB       MET  64   0.210  -4.931   3.812
  514   2HB   MET  64          3HB       MET  64  -1.551  -4.858   3.827
  515   1HG   MET  64          2HG       MET  64  -1.299  -2.344   3.297
  516   2HG   MET  64          3HG       MET  64   0.392  -2.680   2.981
  517   1HE   MET  64          1HE       MET  64   0.483  -5.392   1.536
  518   2HE   MET  64          2HE       MET  64   0.304  -4.886  -0.152
  519   3HE   MET  64          3HE       MET  64   1.289  -3.914   0.969
  520    H    SER  65           H        SER  65  -3.003  -4.664   6.068
  521    HA   SER  65           HA       SER  65  -4.495  -2.281   5.385
  522   1HB   SER  65          2HB       SER  65  -6.432  -3.426   5.956
  523   2HB   SER  65          3HB       SER  65  -5.339  -4.669   5.309
  524    HG   SER  65           HG       SER  65  -6.042  -5.584   7.128
  525    H    GLU  66           H        GLU  66  -3.291  -3.582   8.414
  526    HA   GLU  66           HA       GLU  66  -4.234  -1.722  10.292
  527   1HB   GLU  66          2HB       GLU  66  -2.928  -3.930  10.537
  528   2HB   GLU  66          3HB       GLU  66  -1.472  -2.985  10.246
  529   1HG   GLU  66          2HG       GLU  66  -2.107  -1.594  12.280
  530   2HG   GLU  66          3HG       GLU  66  -3.451  -2.708  12.539
  531    H    TYR  67           H        TYR  67  -1.057  -1.568   8.574
  532    HA   TYR  67           HA       TYR  67  -0.358   1.131   9.133
  533   1HB   TYR  67          2HB       TYR  67   1.190  -0.391   8.056
  534   2HB   TYR  67          3HB       TYR  67   0.110  -0.576   6.681
  535    HD1  TYR  67           HD1      TYR  67   0.378   0.815   4.748
  536    HD2  TYR  67           HD2      TYR  67   2.074   1.989   8.502
  537    HE1  TYR  67           HE1      TYR  67   1.424   2.798   3.650
  538    HE2  TYR  67           HE2      TYR  67   3.021   4.057   7.429
  539    HH   TYR  67           HH       TYR  67   3.622   4.787   4.545
  540    H    LEU  68           H        LEU  68  -2.250  -0.046   6.336
  541    HA   LEU  68           HA       LEU  68  -2.859   2.577   5.303
  542   1HB   LEU  68          2HB       LEU  68  -4.174  -0.118   4.820
  543   2HB   LEU  68          3HB       LEU  68  -4.495   1.341   3.888
  544    HG   LEU  68           HG       LEU  68  -1.784   0.013   3.942
  545   1HD1  LEU  68          1HD1      LEU  68  -4.035  -0.006   1.882
  546   2HD1  LEU  68          2HD1      LEU  68  -2.415  -0.719   1.679
  547   3HD1  LEU  68          3HD1      LEU  68  -3.526  -1.388   2.882
  548   1HD2  LEU  68          1HD2      LEU  68  -1.657   2.407   3.450
  549   2HD2  LEU  68          2HD2      LEU  68  -1.333   1.436   2.023
  550   3HD2  LEU  68          3HD2      LEU  68  -2.916   2.231   2.195
  551    H    THR  69           H        THR  69  -4.036   1.357   8.121
  552    HA   THR  69           HA       THR  69  -6.657   2.751   8.001
  553    HB   THR  69           HB       THR  69  -5.432   1.271  10.276
  554    HG1  THR  69           1HG      THR  69  -5.943  -0.093   8.586
  555   1HG2  THR  69          1HG2      THR  69  -8.265   2.299   9.806
  556   2HG2  THR  69          2HG2      THR  69  -7.757   1.244  11.141
  557   3HG2  THR  69          3HG2      THR  69  -7.133   2.898  11.044
  558    H    ASN  70           H        ASN  70  -3.402   3.172   9.446
  559    HA   ASN  70           HA       ASN  70  -3.812   5.992   9.186
  560   1HB   ASN  70          2HB       ASN  70  -4.842   5.624  11.434
  561   2HB   ASN  70          3HB       ASN  70  -3.249   5.163  12.041
  562   1HD2  ASN  70          2HD2      ASN  70  -5.254   7.652  12.205
  563   2HD2  ASN  70          1HD2      ASN  70  -4.115   8.980  11.975
  564    HA   PRO  71           HA       PRO  71   0.386   4.405   8.351
  565   1HB   PRO  71          2HB       PRO  71   1.131   6.257   6.432
  566   2HB   PRO  71          3HB       PRO  71   0.107   4.815   6.128
  567   1HG   PRO  71          2HG       PRO  71  -0.799   7.650   6.584
  568   2HG   PRO  71          3HG       PRO  71  -1.328   6.492   5.323
  569   1HD   PRO  71          2HD       PRO  71  -2.732   6.887   7.607
  570   2HD   PRO  71          3HD       PRO  71  -2.617   5.253   6.880
  571    H    LYS  72           H        LYS  72  -0.343   7.819   8.931
  572    HA   LYS  72           HA       LYS  72   2.299   8.657   9.775
  573   1HB   LYS  72          2HB       LYS  72  -0.510   9.786  10.067
  574   2HB   LYS  72          3HB       LYS  72   0.806  10.488  10.994
  575   1HG   LYS  72          2HG       LYS  72   0.417  11.753   8.983
  576   2HG   LYS  72          3HG       LYS  72   2.049  11.078   9.008
  577   1HD   LYS  72          2HD       LYS  72   1.528   9.454   7.340
  578   2HD   LYS  72          3HD       LYS  72  -0.215   9.723   7.486
  579   1HE   LYS  72          2HE       LYS  72   1.667  11.963   6.641
  580   2HE   LYS  72          3HE       LYS  72   1.074  10.773   5.491
  581   1HZ   LYS  72          1HZ       LYS  72  -0.694  12.507   7.115
  582   2HZ   LYS  72          2HZ       LYS  72  -0.460  12.599   5.469
  583   3HZ   LYS  72          3HZ       LYS  72  -1.174  11.309   6.086
  584    H    LYS  73           H        LYS  73  -0.370   7.257  11.599
  585    HA   LYS  73           HA       LYS  73   0.959   7.599  14.184
  586   1HB   LYS  73          2HB       LYS  73  -1.559   7.039  13.602
  587   2HB   LYS  73          3HB       LYS  73  -1.022   5.365  13.620
  588   1HG   LYS  73          2HG       LYS  73  -0.911   7.413  15.888
  589   2HG   LYS  73          3HG       LYS  73  -2.024   6.057  15.738
  590   1HD   LYS  73          2HD       LYS  73   0.011   4.503  15.906
  591   2HD   LYS  73          3HD       LYS  73   0.959   5.950  16.288
  592   1HE   LYS  73          2HE       LYS  73   0.461   4.923  18.342
  593   2HE   LYS  73          3HE       LYS  73  -0.470   6.419  18.241
  594   1HZ   LYS  73          1HZ       LYS  73  -1.551   3.719  17.638
  595   2HZ   LYS  73          2HZ       LYS  73  -1.768   4.500  19.070
  596   3HZ   LYS  73          3HZ       LYS  73  -2.422   5.116  17.691
  597    H    TYR  74           H        TYR  74   0.850   4.961  11.774
  598    HA   TYR  74           HA       TYR  74   2.419   3.083  13.229
  599   1HB   TYR  74          2HB       TYR  74   0.971   3.112  10.888
  600   2HB   TYR  74          3HB       TYR  74   2.603   3.114  10.257
  601    HD1  TYR  74           HD1      TYR  74  -0.081   1.127  11.488
  602    HD2  TYR  74           HD2      TYR  74   4.230   1.271  11.317
  603    HE1  TYR  74           HE1      TYR  74   0.032  -1.300  11.890
  604    HE2  TYR  74           HE2      TYR  74   4.307  -1.193  11.824
  605    HH   TYR  74           HH       TYR  74   1.318  -3.104  12.284
  606    H    ILE  75           H        ILE  75   3.335   5.370  10.700
  607    HA   ILE  75           HA       ILE  75   6.217   5.318  11.439
  608    HB   ILE  75           HB       ILE  75   5.050   5.735   8.680
  609   1HG1  ILE  75          2HG1      ILE  75   6.600   3.307   9.544
  610   2HG1  ILE  75          3HG1      ILE  75   4.831   3.327   9.429
  611   1HG2  ILE  75          1HG2      ILE  75   7.900   5.318   9.742
  612   2HG2  ILE  75          2HG2      ILE  75   7.493   5.580   8.039
  613   3HG2  ILE  75          3HG2      ILE  75   7.260   6.879   9.196
  614   1HD1  ILE  75          1HD1      ILE  75   6.847   3.623   7.190
  615   2HD1  ILE  75          2HD1      ILE  75   5.630   2.363   7.416
  616   3HD1  ILE  75          3HD1      ILE  75   5.150   4.017   6.979
  617    HA   PRO  76           HA       PRO  76   4.822   9.709  11.964
  618   1HB   PRO  76          2HB       PRO  76   6.446  10.292  14.096
  619   2HB   PRO  76          3HB       PRO  76   4.816   9.563  14.257
  620   1HG   PRO  76          2HG       PRO  76   7.499   8.154  14.280
  621   2HG   PRO  76          3HG       PRO  76   6.118   7.930  15.396
  622   1HD   PRO  76          2HD       PRO  76   6.575   6.266  13.289
  623   2HD   PRO  76          3HD       PRO  76   4.912   6.683  13.799
  624    H    GLY  77           H        GLY  77   5.734  10.619  10.234
  625   1HA   GLY  77          1HA       GLY  77   7.610  12.028   9.426
  626   2HA   GLY  77          2HA       GLY  77   8.730  10.782   9.951
  627    H    THR  78           H        THR  78   6.173   9.130   8.568
  628    HA   THR  78           HA       THR  78   7.538   8.409   6.158
  629    HB   THR  78           HB       THR  78   5.537   7.437   7.676
  630    HG1  THR  78           1HG      THR  78   5.643   6.297   5.191
  631   1HG2  THR  78          1HG2      THR  78   4.131   8.000   5.090
  632   2HG2  THR  78          2HG2      THR  78   3.568   6.999   6.435
  633   3HG2  THR  78          3HG2      THR  78   3.749   8.751   6.660
  634    H    LYS  79           H        LYS  79   6.862   8.652   3.963
  635    HA   LYS  79           HA       LYS  79   6.220  11.476   3.238
  636   1HB   LYS  79          2HB       LYS  79   7.395   9.072   1.798
  637   2HB   LYS  79          3HB       LYS  79   6.811  10.478   0.904
  638   1HG   LYS  79          2HG       LYS  79   8.452  11.914   1.852
  639   2HG   LYS  79          3HG       LYS  79   8.980  10.682   3.017
  640   1HD   LYS  79          2HD       LYS  79   9.735   9.218   1.214
  641   2HD   LYS  79          3HD       LYS  79   9.045  10.293  -0.021
  642   1HE   LYS  79          2HE       LYS  79  10.627  12.059   0.571
  643   2HE   LYS  79          3HE       LYS  79  11.303  11.058   1.874
  644   1HZ   LYS  79          1HZ       LYS  79  11.321  10.181  -0.961
  645   2HZ   LYS  79          2HZ       LYS  79  12.592  10.944  -0.261
  646   3HZ   LYS  79          3HZ       LYS  79  12.108   9.492   0.292
  647    H    MET  80           H        MET  80   4.731   8.292   3.143
  648    HA   MET  80           HA       MET  80   2.742   8.762   1.193
  649   1HB   MET  80          2HB       MET  80   3.238   6.567   2.044
  650   2HB   MET  80          3HB       MET  80   2.691   7.011   3.663
  651   1HG   MET  80          2HG       MET  80   0.496   7.021   3.103
  652   2HG   MET  80          3HG       MET  80   0.771   7.394   1.417
  653   1HE   MET  80          1HE       MET  80  -1.420   5.799   1.508
  654   2HE   MET  80          2HE       MET  80  -1.345   4.043   1.736
  655   3HE   MET  80          3HE       MET  80  -1.146   5.122   3.133
  656    H    ALA  81           H        ALA  81   2.228  10.951   1.459
  657    HA   ALA  81           HA       ALA  81   1.267  12.159   3.695
  658   1HB   ALA  81          1HB       ALA  81   0.594  12.929   0.830
  659   2HB   ALA  81          2HB       ALA  81   0.610  14.019   2.228
  660   3HB   ALA  81          3HB       ALA  81   2.125  13.288   1.660
  661    H    PHE  82           H        PHE  82  -0.411   9.956   2.307
  662    HA   PHE  82           HA       PHE  82  -3.223  10.624   2.439
  663   1HB   PHE  82          2HB       PHE  82  -2.216   8.779   1.110
  664   2HB   PHE  82          3HB       PHE  82  -1.784   7.946   2.595
  665    HD1  PHE  82           HD1      PHE  82  -3.198   6.188   3.220
  666    HD2  PHE  82           HD2      PHE  82  -4.851   9.507   1.011
  667    HE1  PHE  82           HE1      PHE  82  -5.410   5.100   3.251
  668    HE2  PHE  82           HE2      PHE  82  -7.093   8.442   1.114
  669    HZ   PHE  82           HZ       PHE  82  -7.383   6.261   2.258
  670    H    GLY  83           H        GLY  83  -4.758   9.370   3.900
  671   1HA   GLY  83          1HA       GLY  83  -3.933   9.789   6.772
  672   2HA   GLY  83          2HA       GLY  83  -5.524  10.144   6.116
  673    H    GLY  84           H        GLY  84  -5.950   7.657   4.694
  674   1HA   GLY  84          1HA       GLY  84  -5.902   5.215   5.532
  675   2HA   GLY  84          2HA       GLY  84  -6.508   5.901   7.034
  676    H    LEU  85           H        LEU  85  -8.029   3.996   5.881
  677    HA   LEU  85           HA       LEU  85 -10.498   5.437   5.107
  678   1HB   LEU  85          2HB       LEU  85  -9.483   2.703   4.217
  679   2HB   LEU  85          3HB       LEU  85 -11.063   3.355   3.877
  680    HG   LEU  85           HG       LEU  85  -8.431   4.501   2.920
  681   1HD1  LEU  85          1HD1      LEU  85 -10.574   3.117   1.274
  682   2HD1  LEU  85          2HD1      LEU  85  -8.986   3.669   0.716
  683   3HD1  LEU  85          3HD1      LEU  85  -9.114   2.314   1.857
  684   1HD2  LEU  85          1HD2      LEU  85 -10.135   6.304   3.055
  685   2HD2  LEU  85          2HD2      LEU  85  -9.832   5.891   1.368
  686   3HD2  LEU  85          3HD2      LEU  85 -11.293   5.277   2.176
  687    H    LYS  86           H        LYS  86 -11.464   5.497   7.139
  688    HA   LYS  86           HA       LYS  86 -11.201   3.633   9.202
  689   1HB   LYS  86          2HB       LYS  86 -12.134   6.042   9.113
  690   2HB   LYS  86          3HB       LYS  86 -13.709   5.327   8.813
  691   1HG   LYS  86          2HG       LYS  86 -12.034   4.452  11.197
  692   2HG   LYS  86          3HG       LYS  86 -12.852   6.011  11.225
  693   1HD   LYS  86          2HD       LYS  86 -15.044   4.937  10.927
  694   2HD   LYS  86          3HD       LYS  86 -14.274   3.342  10.883
  695   1HE   LYS  86          2HE       LYS  86 -13.221   3.942  13.150
  696   2HE   LYS  86          3HE       LYS  86 -14.341   5.310  13.197
  697   1HZ   LYS  86          1HZ       LYS  86 -15.091   2.442  13.033
  698   2HZ   LYS  86          2HZ       LYS  86 -15.278   3.412  14.341
  699   3HZ   LYS  86          3HZ       LYS  86 -16.174   3.677  12.987
  700    H    LYS  87           H        LYS  87 -13.208   3.240   6.494
  701    HA   LYS  87           HA       LYS  87 -15.108   1.217   7.488
  702   1HB   LYS  87          2HB       LYS  87 -14.119   2.121   4.794
  703   2HB   LYS  87          3HB       LYS  87 -15.204   0.737   4.960
  704   1HG   LYS  87          2HG       LYS  87 -17.020   2.198   5.710
  705   2HG   LYS  87          3HG       LYS  87 -15.931   3.623   5.619
  706   1HD   LYS  87          2HD       LYS  87 -15.420   3.101   3.283
  707   2HD   LYS  87          3HD       LYS  87 -16.434   1.654   3.330
  708   1HE   LYS  87          2HE       LYS  87 -18.433   3.176   3.554
  709   2HE   LYS  87          3HE       LYS  87 -17.319   4.544   3.332
  710   1HZ   LYS  87          1HZ       LYS  87 -17.913   2.371   1.410
  711   2HZ   LYS  87          2HZ       LYS  87 -17.964   3.997   1.133
  712   3HZ   LYS  87          3HZ       LYS  87 -16.530   3.155   1.292
  713    H    GLU  88           H        GLU  88 -14.188  -0.665   8.280
  714    HA   GLU  88           HA       GLU  88 -12.171  -2.245   7.188
  715   1HB   GLU  88          2HB       GLU  88 -13.270  -4.125   8.041
  716   2HB   GLU  88          3HB       GLU  88 -13.658  -2.773   9.135
  717   1HG   GLU  88          2HG       GLU  88 -15.890  -2.591   8.001
  718   2HG   GLU  88          3HG       GLU  88 -15.429  -3.982   7.002
  719    H    LYS  89           H        LYS  89 -15.309  -1.717   5.834
  720    HA   LYS  89           HA       LYS  89 -15.324  -3.720   3.839
  721   1HB   LYS  89          2HB       LYS  89 -16.999  -1.189   3.852
  722   2HB   LYS  89          3HB       LYS  89 -17.336  -2.739   3.061
  723   1HG   LYS  89          2HG       LYS  89 -16.855  -3.648   5.494
  724   2HG   LYS  89          3HG       LYS  89 -17.411  -2.053   5.989
  725   1HD   LYS  89          2HD       LYS  89 -19.623  -2.549   5.016
  726   2HD   LYS  89          3HD       LYS  89 -18.990  -4.090   4.358
  727   1HE   LYS  89          2HE       LYS  89 -18.288  -4.722   6.723
  728   2HE   LYS  89          3HE       LYS  89 -19.118  -3.296   7.318
  729   1HZ   LYS  89          1HZ       LYS  89 -20.369  -5.565   5.887
  730   2HZ   LYS  89          2HZ       LYS  89 -20.488  -5.231   7.494
  731   3HZ   LYS  89          3HZ       LYS  89 -21.187  -4.221   6.396
  732    H    ASP  90           H        ASP  90 -14.482  -0.403   3.506
  733    HA   ASP  90           HA       ASP  90 -13.648  -0.431   0.679
  734   1HB   ASP  90          2HB       ASP  90 -13.309   1.412   3.017
  735   2HB   ASP  90          3HB       ASP  90 -11.999   1.379   1.901
  736    H    ARG  91           H        ARG  91 -11.976  -0.843   3.862
  737    HA   ARG  91           HA       ARG  91  -9.408  -1.527   2.894
  738   1HB   ARG  91          2HB       ARG  91 -10.877  -2.276   5.421
  739   2HB   ARG  91          3HB       ARG  91  -9.276  -2.901   5.129
  740   1HG   ARG  91          2HG       ARG  91  -9.764   0.085   4.937
  741   2HG   ARG  91          3HG       ARG  91  -9.685  -0.675   6.518
  742   1HD   ARG  91          2HD       ARG  91  -7.466  -0.884   6.495
  743   2HD   ARG  91          3HD       ARG  91  -7.442  -1.608   4.893
  744    HE   ARG  91           HE       ARG  91  -7.027   1.195   5.604
  745   1HH1  ARG  91          1HH2      ARG  91  -7.498  -1.001   2.997
  746   2HH1  ARG  91          2HH2      ARG  91  -7.248   0.182   1.737
  747   1HH2  ARG  91          1HH1      ARG  91  -6.503   2.616   4.086
  748   2HH2  ARG  91          2HH1      ARG  91  -6.735   2.321   2.363
  749    H    ASN  92           H        ASN  92 -12.024  -3.833   3.553
  750    HA   ASN  92           HA       ASN  92 -10.484  -6.169   2.860
  751   1HB   ASN  92          2HB       ASN  92 -13.436  -5.644   3.355
  752   2HB   ASN  92          3HB       ASN  92 -12.864  -7.210   2.780
  753   1HD2  ASN  92          2HD2      ASN  92 -13.060  -5.208   5.596
  754   2HD2  ASN  92          1HD2      ASN  92 -12.333  -6.412   6.676
  755    H    ASP  93           H        ASP  93 -12.912  -4.332   0.924
  756    HA   ASP  93           HA       ASP  93 -12.635  -5.904  -1.481
  757   1HB   ASP  93          2HB       ASP  93 -13.315  -2.996  -0.964
  758   2HB   ASP  93          3HB       ASP  93 -13.114  -3.611  -2.597
  759    H    LEU  94           H        LEU  94 -10.826  -2.987  -0.424
  760    HA   LEU  94           HA       LEU  94  -9.023  -2.866  -2.579
  761   1HB   LEU  94          2HB       LEU  94  -9.471  -1.244  -0.502
  762   2HB   LEU  94          3HB       LEU  94  -8.096  -2.103   0.182
  763    HG   LEU  94           HG       LEU  94  -6.925  -1.461  -2.117
  764   1HD1  LEU  94          1HD1      LEU  94  -9.180   0.609  -1.948
  765   2HD1  LEU  94          2HD1      LEU  94  -7.787   0.676  -3.046
  766   3HD1  LEU  94          3HD1      LEU  94  -8.989  -0.610  -3.222
  767   1HD2  LEU  94          1HD2      LEU  94  -6.248  -0.489   0.037
  768   2HD2  LEU  94          2HD2      LEU  94  -6.286   0.738  -1.234
  769   3HD2  LEU  94          3HD2      LEU  94  -7.619   0.683  -0.068
  770    H    ILE  95           H        ILE  95  -8.636  -4.747   0.465
  771    HA   ILE  95           HA       ILE  95  -6.044  -5.841  -0.160
  772    HB   ILE  95           HB       ILE  95  -8.282  -7.001   1.527
  773   1HG1  ILE  95          2HG1      ILE  95  -5.686  -5.807   2.582
  774   2HG1  ILE  95          3HG1      ILE  95  -7.054  -4.777   2.230
  775   1HG2  ILE  95          1HG2      ILE  95  -5.359  -7.891   1.277
  776   2HG2  ILE  95          2HG2      ILE  95  -6.454  -8.444   2.551
  777   3HG2  ILE  95          3HG2      ILE  95  -6.796  -8.857   0.885
  778   1HD1  ILE  95          1HD1      ILE  95  -6.917  -7.006   4.288
  779   2HD1  ILE  95          2HD1      ILE  95  -7.294  -5.290   4.525
  780   3HD1  ILE  95          3HD1      ILE  95  -8.468  -6.334   3.739
  781    H    THR  96           H        THR  96  -9.315  -7.189  -0.749
  782    HA   THR  96           HA       THR  96  -8.537  -9.621  -1.932
  783    HB   THR  96           HB       THR  96 -10.956  -7.998  -2.836
  784    HG1  THR  96           1HG      THR  96 -10.949  -8.134  -0.583
  785   1HG2  THR  96          1HG2      THR  96 -10.463 -11.003  -2.604
  786   2HG2  THR  96          2HG2      THR  96 -11.994 -10.243  -3.067
  787   3HG2  THR  96          3HG2      THR  96 -10.583 -10.089  -4.122
  788    H    TYR  97           H        TYR  97  -8.772  -6.466  -3.392
  789    HA   TYR  97           HA       TYR  97  -8.003  -7.237  -6.116
  790   1HB   TYR  97          2HB       TYR  97  -9.224  -5.236  -5.836
  791   2HB   TYR  97          3HB       TYR  97  -8.175  -4.651  -4.561
  792    HD1  TYR  97           HD1      TYR  97  -6.478  -3.146  -5.018
  793    HD2  TYR  97           HD2      TYR  97  -8.023  -5.607  -8.204
  794    HE1  TYR  97           HE1      TYR  97  -5.074  -1.923  -6.656
  795    HE2  TYR  97           HE2      TYR  97  -6.690  -4.284  -9.864
  796    HH   TYR  97           HH       TYR  97  -4.430  -1.780  -8.825
  797    H    LEU  98           H        LEU  98  -6.143  -5.517  -3.523
  798    HA   LEU  98           HA       LEU  98  -3.759  -5.399  -5.025
  799   1HB   LEU  98          2HB       LEU  98  -4.609  -4.551  -2.439
  800   2HB   LEU  98          3HB       LEU  98  -3.242  -5.572  -2.139
  801    HG   LEU  98           HG       LEU  98  -2.008  -4.225  -4.008
  802   1HD1  LEU  98          1HD1      LEU  98  -4.314  -2.328  -3.355
  803   2HD1  LEU  98          2HD1      LEU  98  -2.842  -1.898  -4.263
  804   3HD1  LEU  98          3HD1      LEU  98  -3.964  -3.088  -4.926
  805   1HD2  LEU  98          1HD2      LEU  98  -1.448  -4.029  -1.633
  806   2HD2  LEU  98          2HD2      LEU  98  -1.341  -2.465  -2.443
  807   3HD2  LEU  98          3HD2      LEU  98  -2.742  -2.832  -1.405
  808    H    LYS  99           H        LYS  99  -4.851  -7.865  -2.814
  809    HA   LYS  99           HA       LYS  99  -2.643  -9.632  -2.689
  810   1HB   LYS  99          2HB       LYS  99  -4.940  -9.808  -1.604
  811   2HB   LYS  99          3HB       LYS  99  -5.547 -10.503  -3.108
  812   1HG   LYS  99          2HG       LYS  99  -3.193 -11.582  -1.502
  813   2HG   LYS  99          3HG       LYS  99  -4.862 -12.067  -1.210
  814   1HD   LYS  99          2HD       LYS  99  -4.990 -13.449  -2.990
  815   2HD   LYS  99          3HD       LYS  99  -3.975 -12.448  -4.029
  816   1HE   LYS  99          2HE       LYS  99  -1.980 -13.080  -2.669
  817   2HE   LYS  99          3HE       LYS  99  -2.982 -14.196  -1.737
  818   1HZ   LYS  99          1HZ       LYS  99  -2.749 -14.303  -4.701
  819   2HZ   LYS  99          2HZ       LYS  99  -1.678 -15.050  -3.712
  820   3HZ   LYS  99          3HZ       LYS  99  -3.274 -15.514  -3.696
  821    H    LYS 100           H        LYS 100  -5.075  -9.389  -5.314
  822    HA   LYS 100           HA       LYS 100  -3.519 -11.192  -6.999
  823   1HB   LYS 100          2HB       LYS 100  -6.250 -10.576  -6.819
  824   2HB   LYS 100          3HB       LYS 100  -5.756  -9.799  -8.332
  825   1HG   LYS 100          2HG       LYS 100  -4.405 -11.941  -8.785
  826   2HG   LYS 100          3HG       LYS 100  -5.328 -12.684  -7.461
  827   1HD   LYS 100          2HD       LYS 100  -7.369 -12.496  -8.837
  828   2HD   LYS 100          3HD       LYS 100  -6.403 -11.668 -10.111
  829   1HE   LYS 100          2HE       LYS 100  -4.735 -13.649  -9.843
  830   2HE   LYS 100          3HE       LYS 100  -5.998 -14.485  -8.968
  831   1HZ   LYS 100          1HZ       LYS 100  -6.152 -13.498 -11.757
  832   2HZ   LYS 100          2HZ       LYS 100  -5.942 -15.059 -11.308
  833   3HZ   LYS 100          3HZ       LYS 100  -7.378 -14.307 -10.993
  834    H    ALA 101           H        ALA 101  -3.250  -8.021  -6.438
  835    HA   ALA 101           HA       ALA 101  -2.219  -7.159  -9.077
  836   1HB   ALA 101          1HB       ALA 101  -1.585  -5.905  -6.380
  837   2HB   ALA 101          2HB       ALA 101  -1.367  -5.207  -7.974
  838   3HB   ALA 101          3HB       ALA 101  -3.013  -5.505  -7.377
  839    H    THR 102           H        THR 102  -1.086  -9.156  -6.564
  840    HA   THR 102           HA       THR 102   1.455  -9.527  -8.068
  841    HB   THR 102           HB       THR 102   1.914  -8.657  -5.903
  842    HG1  THR 102           1HG      THR 102   2.604 -11.318  -6.444
  843   1HG2  THR 102          1HG2      THR 102   0.512 -11.075  -4.727
  844   2HG2  THR 102          2HG2      THR 102   1.664 -10.049  -3.855
  845   3HG2  THR 102          3HG2      THR 102   0.148  -9.364  -4.473
  846    H    GLU 103           H        GLU 103  -1.327 -11.289  -6.578
  847    HA   GLU 103           HA       GLU 103  -0.507 -13.785  -8.020
  848   1HB   GLU 103          2HB       GLU 103  -1.068 -13.372  -5.091
  849   2HB   GLU 103          3HB       GLU 103  -0.981 -14.971  -5.886
  850   1HG   GLU 103          2HG       GLU 103   1.425 -14.483  -6.348
  851   2HG   GLU 103          3HG       GLU 103   1.251 -13.021  -5.356
  852    HHA  HEC 104           HHA      HEC 104   5.369   2.852   0.592
  853    HHB  HEC 104           HHB      HEC 104  -0.447   0.194  -0.395
  854    HHC  HEC 104           HHC      HEC 104  -2.897   6.097  -1.535
  855    HHD  HEC 104           HHD      HEC 104   3.028   8.578  -1.267
  856   1HMA  HEC 104          1HMA      HEC 104   1.745  -1.418   1.389
  857   2HMA  HEC 104          2HMA      HEC 104   1.066  -1.429  -0.255
  858   3HMA  HEC 104          3HMA      HEC 104   2.781  -1.761  -0.013
  859   1HAA  HEC 104          1HAA      HEC 104   4.576  -0.842   1.119
  860   2HAA  HEC 104          2HAA      HEC 104   5.273   0.708   1.598
  861   1HBA  HEC 104          1HBA      HEC 104   5.928   1.079  -0.802
  862   2HBA  HEC 104          2HBA      HEC 104   5.343  -0.532  -1.181
  863   1HMB  HEC 104          1HMB      HEC 104  -3.444   0.406  -0.323
  864   2HMB  HEC 104          2HMB      HEC 104  -3.872   0.881  -1.972
  865   3HMB  HEC 104          3HMB      HEC 104  -2.357   0.039  -1.678
  866    HAB  HEC 104           HAB      HEC 104  -4.433   4.809  -1.337
  867   1HBB  HEC 104          1HBB      HEC 104  -4.649   3.834   0.840
  868   2HBB  HEC 104          2HBB      HEC 104  -6.158   3.688  -0.083
  869   3HBB  HEC 104          3HBB      HEC 104  -5.104   2.272   0.136
  870   1HMC  HEC 104          1HMC      HEC 104  -3.006   8.566  -1.228
  871   2HMC  HEC 104          2HMC      HEC 104  -2.141   9.723  -2.244
  872   3HMC  HEC 104          3HMC      HEC 104  -2.669   8.182  -2.926
  873    HAC  HEC 104           HAC      HEC 104   1.787   9.806  -2.366
  874   1HBC  HEC 104          1HBC      HEC 104   0.812  10.932  -0.479
  875   2HBC  HEC 104          2HBC      HEC 104   0.774  11.944  -1.938
  876   3HBC  HEC 104          3HBC      HEC 104  -0.711  11.163  -1.358
  877   1HMD  HEC 104          1HMD      HEC 104   5.755   8.468   0.391
  878   2HMD  HEC 104          2HMD      HEC 104   6.683   7.777  -0.958
  879   3HMD  HEC 104          3HMD      HEC 104   5.200   8.691  -1.266
  880   1HAD  HEC 104          1HAD      HEC 104   7.348   6.178   0.580
  881   2HAD  HEC 104          2HAD      HEC 104   7.182   4.489   0.130
  882   1HBD  HEC 104          1HBD      HEC 104   7.731   4.870   2.551
  883   2HBD  HEC 104          2HBD      HEC 104   6.259   3.930   2.325
  Start of MODEL   30
    1   1H    THR  -5          H1        THR  -5  -7.962 -14.885  10.864
    2   2H    THR  -5          H2        THR  -5  -6.653 -14.071  11.296
    3   3H    THR  -5          H3        THR  -5  -6.482 -15.500  10.448
    4    HA   THR  -5           HA       THR  -5  -6.043 -13.582   9.053
    5    HB   THR  -5           HB       THR  -5  -8.637 -14.772   8.076
    6    HG1  THR  -5           1HG      THR  -5  -7.170 -16.524   7.433
    7   1HG2  THR  -5          1HG2      THR  -5  -5.892 -14.355   6.784
    8   2HG2  THR  -5          2HG2      THR  -5  -7.387 -14.862   5.967
    9   3HG2  THR  -5          3HG2      THR  -5  -7.250 -13.228   6.632
   10    H    GLU  -4           H        GLU  -4  -9.502 -13.661  10.072
   11    HA   GLU  -4           HA       GLU  -4 -11.070 -12.190  10.449
   12   1HB   GLU  -4          2HB       GLU  -4  -8.618 -10.705  11.423
   13   2HB   GLU  -4          3HB       GLU  -4 -10.273 -10.209  11.767
   14   1HG   GLU  -4          2HG       GLU  -4  -9.387 -11.501  13.631
   15   2HG   GLU  -4          3HG       GLU  -4 -10.755 -12.327  12.899
   16    H    PHE  -3           H        PHE  -3  -9.003 -11.284   8.070
   17    HA   PHE  -3           HA       PHE  -3 -10.362  -9.155   6.692
   18   1HB   PHE  -3          2HB       PHE  -3  -8.219  -9.991   5.995
   19   2HB   PHE  -3          3HB       PHE  -3  -8.793 -11.641   5.942
   20    HD1  PHE  -3           HD1      PHE  -3  -9.627 -12.620   3.992
   21    HD2  PHE  -3           HD2      PHE  -3  -8.966  -8.365   4.155
   22    HE1  PHE  -3           HE1      PHE  -3  -9.776 -12.501   1.520
   23    HE2  PHE  -3           HE2      PHE  -3  -9.173  -8.248   1.678
   24    HZ   PHE  -3           HZ       PHE  -3  -9.528 -10.319   0.369
   25    H    LYS  -2           H        LYS  -2 -12.056  -9.213   5.278
   26    HA   LYS  -2           HA       LYS  -2 -13.817 -11.634   5.098
   27   1HB   LYS  -2          2HB       LYS  -2 -14.642 -10.203   6.939
   28   2HB   LYS  -2          3HB       LYS  -2 -14.727  -8.821   5.839
   29   1HG   LYS  -2          2HG       LYS  -2 -16.375 -10.117   4.421
   30   2HG   LYS  -2          3HG       LYS  -2 -16.354 -11.402   5.627
   31   1HD   LYS  -2          2HD       LYS  -2 -17.121  -8.491   6.158
   32   2HD   LYS  -2          3HD       LYS  -2 -18.287  -9.751   5.776
   33   1HE   LYS  -2          2HE       LYS  -2 -16.409  -9.810   8.185
   34   2HE   LYS  -2          3HE       LYS  -2 -18.071  -9.215   8.232
   35   1HZ   LYS  -2          1HZ       LYS  -2 -17.286 -11.968   7.472
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.933 -11.544   8.921
   37   3HZ   LYS  -2          3HZ       LYS  -2 -18.828 -11.412   7.545
   38    H    ALA  -1           H        ALA  -1 -13.086 -11.951   3.091
   39    HA   ALA  -1           HA       ALA  -1 -12.172 -10.379   1.194
   40   1HB   ALA  -1          1HB       ALA  -1 -13.925 -12.809   0.648
   41   2HB   ALA  -1          2HB       ALA  -1 -12.684 -12.150  -0.432
   42   3HB   ALA  -1          3HB       ALA  -1 -12.210 -12.848   1.126
   43    H    GLY   1           H        GLY   1 -12.650  -9.084  -0.433
   44   1HA   GLY   1          1HA       GLY   1 -15.475  -8.237  -0.926
   45   2HA   GLY   1          2HA       GLY   1 -14.042  -7.226  -1.155
   46    H    SER   2           H        SER   2 -14.323  -6.851  -3.327
   47    HA   SER   2           HA       SER   2 -14.024  -9.222  -5.173
   48   1HB   SER   2          2HB       SER   2 -16.283  -8.507  -5.336
   49   2HB   SER   2          3HB       SER   2 -15.798  -6.815  -5.554
   50    HG   SER   2           HG       SER   2 -16.271  -8.312  -7.464
   51    H    ALA   3           H        ALA   3 -12.226  -9.208  -6.268
   52    HA   ALA   3           HA       ALA   3 -10.292  -7.238  -6.075
   53   1HB   ALA   3          1HB       ALA   3 -10.568  -9.328  -8.276
   54   2HB   ALA   3          2HB       ALA   3  -9.081  -8.450  -7.851
   55   3HB   ALA   3          3HB       ALA   3  -9.811  -9.563  -6.681
   56    H    LYS   4           H        LYS   4 -12.723  -7.397  -8.684
   57    HA   LYS   4           HA       LYS   4 -11.481  -5.133 -10.106
   58   1HB   LYS   4          2HB       LYS   4 -13.857  -6.894 -10.591
   59   2HB   LYS   4          3HB       LYS   4 -13.999  -5.234 -11.174
   60   1HG   LYS   4          2HG       LYS   4 -11.888  -5.429 -12.413
   61   2HG   LYS   4          3HG       LYS   4 -11.698  -7.107 -11.870
   62   1HD   LYS   4          2HD       LYS   4 -13.644  -7.816 -13.127
   63   2HD   LYS   4          3HD       LYS   4 -14.148  -6.149 -13.404
   64   1HE   LYS   4          2HE       LYS   4 -13.223  -7.033 -15.446
   65   2HE   LYS   4          3HE       LYS   4 -12.218  -5.717 -14.838
   66   1HZ   LYS   4          1HZ       LYS   4 -11.605  -8.605 -14.509
   67   2HZ   LYS   4          2HZ       LYS   4 -10.895  -7.610 -15.598
   68   3HZ   LYS   4          3HZ       LYS   4 -10.647  -7.364 -13.997
   69    H    LYS   5           H        LYS   5 -13.625  -5.396  -7.613
   70    HA   LYS   5           HA       LYS   5 -14.771  -2.659  -7.825
   71   1HB   LYS   5          2HB       LYS   5 -16.050  -4.679  -7.028
   72   2HB   LYS   5          3HB       LYS   5 -15.095  -4.660  -5.555
   73   1HG   LYS   5          2HG       LYS   5 -16.424  -2.057  -6.308
   74   2HG   LYS   5          3HG       LYS   5 -17.504  -3.407  -5.933
   75   1HD   LYS   5          2HD       LYS   5 -16.252  -3.796  -3.824
   76   2HD   LYS   5          3HD       LYS   5 -15.336  -2.299  -4.112
   77   1HE   LYS   5          2HE       LYS   5 -17.488  -1.032  -4.049
   78   2HE   LYS   5          3HE       LYS   5 -18.362  -2.573  -3.864
   79   1HZ   LYS   5          1HZ       LYS   5 -16.582  -1.289  -1.889
   80   2HZ   LYS   5          2HZ       LYS   5 -18.103  -1.943  -1.651
   81   3HZ   LYS   5          3HZ       LYS   5 -16.756  -2.860  -1.867
   82    H    GLY   6           H        GLY   6 -12.526  -4.414  -5.671
   83   1HA   GLY   6          1HA       GLY   6 -11.336  -2.179  -4.343
   84   2HA   GLY   6          2HA       GLY   6 -10.518  -3.686  -4.758
   85    H    ALA   7           H        ALA   7 -10.536  -3.588  -7.597
   86    HA   ALA   7           HA       ALA   7  -8.527  -1.762  -8.255
   87   1HB   ALA   7          1HB       ALA   7 -10.526  -2.780 -10.307
   88   2HB   ALA   7          2HB       ALA   7  -8.829  -2.363 -10.531
   89   3HB   ALA   7          3HB       ALA   7  -9.265  -3.810  -9.607
   90    H    THR   8           H        THR   8 -12.069  -1.310  -8.925
   91    HA   THR   8           HA       THR   8 -11.789   1.349  -9.973
   92    HB   THR   8           HB       THR   8 -14.220   1.619  -9.249
   93    HG1  THR   8           1HG      THR   8 -13.905  -0.314  -7.688
   94   1HG2  THR   8          1HG2      THR   8 -13.504  -0.780 -10.979
   95   2HG2  THR   8          2HG2      THR   8 -15.048   0.095 -10.977
   96   3HG2  THR   8          3HG2      THR   8 -13.573   0.916 -11.527
   97    H    LEU   9           H        LEU   9 -11.955   0.272  -6.530
   98    HA   LEU   9           HA       LEU   9 -12.377   2.878  -5.484
   99   1HB   LEU   9          2HB       LEU   9 -12.870   0.550  -4.458
  100   2HB   LEU   9          3HB       LEU   9 -11.132   0.425  -4.174
  101    HG   LEU   9           HG       LEU   9 -11.381   2.740  -3.068
  102   1HD1  LEU   9          1HD1      LEU   9 -14.270   1.787  -2.902
  103   2HD1  LEU   9          2HD1      LEU   9 -13.592   3.147  -1.991
  104   3HD1  LEU   9          3HD1      LEU   9 -13.703   3.236  -3.760
  105   1HD2  LEU   9          1HD2      LEU   9 -10.867   0.699  -1.793
  106   2HD2  LEU   9          2HD2      LEU   9 -11.977   1.727  -0.884
  107   3HD2  LEU   9          3HD2      LEU   9 -12.590   0.282  -1.722
  108    H    PHE  10           H        PHE  10  -9.466   0.785  -5.633
  109    HA   PHE  10           HA       PHE  10  -7.433   2.533  -4.868
  110   1HB   PHE  10          2HB       PHE  10  -7.077   0.186  -5.233
  111   2HB   PHE  10          3HB       PHE  10  -7.574   0.294  -6.910
  112    HD1  PHE  10           HD1      PHE  10  -6.107   1.133  -8.654
  113    HD2  PHE  10           HD2      PHE  10  -4.775   0.841  -4.564
  114    HE1  PHE  10           HE1      PHE  10  -3.749   1.385  -9.386
  115    HE2  PHE  10           HE2      PHE  10  -2.437   1.197  -5.302
  116    HZ   PHE  10           HZ       PHE  10  -1.911   1.518  -7.691
  117    H    LYS  11           H        LYS  11  -8.978   2.305  -8.063
  118    HA   LYS  11           HA       LYS  11  -7.353   3.954  -9.632
  119   1HB   LYS  11          2HB       LYS  11  -9.837   2.703  -9.944
  120   2HB   LYS  11          3HB       LYS  11 -10.272   4.386  -9.985
  121   1HG   LYS  11          2HG       LYS  11  -9.870   4.042 -12.218
  122   2HG   LYS  11          3HG       LYS  11  -8.248   4.545 -11.738
  123   1HD   LYS  11          2HD       LYS  11  -7.684   2.065 -11.445
  124   2HD   LYS  11          3HD       LYS  11  -9.298   1.693 -12.080
  125   1HE   LYS  11          2HE       LYS  11  -8.685   3.031 -14.161
  126   2HE   LYS  11          3HE       LYS  11  -7.041   3.150 -13.525
  127   1HZ   LYS  11          1HZ       LYS  11  -8.452   0.636 -14.234
  128   2HZ   LYS  11          2HZ       LYS  11  -7.171   1.292 -15.025
  129   3HZ   LYS  11          3HZ       LYS  11  -6.977   0.678 -13.527
  130    H    THR  12           H        THR  12  -9.734   4.966  -7.267
  131    HA   THR  12           HA       THR  12  -8.824   7.799  -7.461
  132    HB   THR  12           HB       THR  12 -10.885   7.554  -8.676
  133    HG1  THR  12           1HG      THR  12 -11.856   9.262  -7.744
  134   1HG2  THR  12          1HG2      THR  12 -12.213   6.743  -6.071
  135   2HG2  THR  12          2HG2      THR  12 -13.021   7.111  -7.605
  136   3HG2  THR  12          3HG2      THR  12 -11.976   5.689  -7.476
  137    H    ARG  13           H        ARG  13  -7.792   5.855  -5.820
  138    HA   ARG  13           HA       ARG  13  -7.973   7.416  -3.284
  139   1HB   ARG  13          2HB       ARG  13  -7.838   4.367  -3.409
  140   2HB   ARG  13          3HB       ARG  13  -7.588   5.323  -1.951
  141   1HG   ARG  13          2HG       ARG  13 -10.188   5.212  -3.521
  142   2HG   ARG  13          3HG       ARG  13  -9.802   4.267  -2.092
  143   1HD   ARG  13          2HD       ARG  13  -9.559   6.358  -0.783
  144   2HD   ARG  13          3HD       ARG  13  -9.977   7.312  -2.211
  145    HE   ARG  13           HE       ARG  13 -11.773   5.750  -0.511
  146   1HH1  ARG  13          1HH2      ARG  13 -11.528   7.198  -3.706
  147   2HH1  ARG  13          2HH2      ARG  13 -13.239   7.126  -3.971
  148   1HH2  ARG  13          1HH1      ARG  13 -13.933   5.575  -0.955
  149   2HH2  ARG  13          2HH1      ARG  13 -14.550   6.177  -2.475
  150    H    CYS  14           H        CYS  14  -6.078   5.131  -5.239
  151    HA   CYS  14           HA       CYS  14  -3.584   6.036  -3.839
  152   1HB   CYS  14          2HB       CYS  14  -4.046   3.357  -5.034
  153   2HB   CYS  14          3HB       CYS  14  -2.900   3.782  -3.781
  154    H    LEU  15           H        LEU  15  -4.971   4.889  -6.965
  155    HA   LEU  15           HA       LEU  15  -2.585   4.635  -8.393
  156   1HB   LEU  15          2HB       LEU  15  -4.783   3.782  -9.083
  157   2HB   LEU  15          3HB       LEU  15  -5.304   5.429  -9.427
  158    HG   LEU  15           HG       LEU  15  -3.632   5.642 -11.185
  159   1HD1  LEU  15          1HD1      LEU  15  -2.882   2.725 -10.773
  160   2HD1  LEU  15          2HD1      LEU  15  -2.324   3.796 -12.058
  161   3HD1  LEU  15          3HD1      LEU  15  -1.841   4.118 -10.398
  162   1HD2  LEU  15          1HD2      LEU  15  -5.859   4.776 -11.720
  163   2HD2  LEU  15          2HD2      LEU  15  -4.635   4.076 -12.794
  164   3HD2  LEU  15          3HD2      LEU  15  -5.288   3.106 -11.448
  165    H    GLN  16           H        GLN  16  -4.144   7.616  -7.522
  166    HA   GLN  16           HA       GLN  16  -2.799   9.432  -9.242
  167   1HB   GLN  16          2HB       GLN  16  -3.024  11.060  -7.405
  168   2HB   GLN  16          3HB       GLN  16  -4.515  10.239  -7.834
  169   1HG   GLN  16          2HG       GLN  16  -4.342   8.797  -5.832
  170   2HG   GLN  16          3HG       GLN  16  -2.807   9.567  -5.391
  171   1HE2  GLN  16          2HE2      GLN  16  -2.888  11.569  -4.174
  172   2HE2  GLN  16          1HE2      GLN  16  -4.495  12.291  -3.936
  173    H    CYS  17           H        CYS  17  -1.539   7.869  -6.209
  174    HA   CYS  17           HA       CYS  17   1.018   9.351  -6.617
  175   1HB   CYS  17          2HB       CYS  17  -0.083   7.848  -4.233
  176   2HB   CYS  17          3HB       CYS  17   1.514   8.566  -4.311
  177    H    HIS  18           H        HIS  18  -0.304   6.159  -6.842
  178    HA   HIS  18           HA       HIS  18   2.402   4.877  -6.794
  179   1HB   HIS  18          1HB       HIS  18  -0.358   4.044  -5.800
  180   2HB   HIS  18          2HB       HIS  18   0.894   2.879  -6.080
  181    HD1  HIS  18           HD1      HIS  18   3.394   3.724  -4.752
  182    HD2  HIS  18           HD2      HIS  18  -0.412   4.705  -3.265
  183    HE1  HIS  18           HE1      HIS  18   3.686   4.158  -2.260
  184    H    THR  19           H        THR  19   2.355   2.686  -7.828
  185    HA   THR  19           HA       THR  19   0.688   2.333 -10.271
  186    HB   THR  19           HB       THR  19   2.737   1.425 -11.335
  187    HG1  THR  19           1HG      THR  19   4.602   2.843 -10.602
  188   1HG2  THR  19          1HG2      THR  19   2.644   4.434 -10.909
  189   2HG2  THR  19          2HG2      THR  19   3.316   3.577 -12.308
  190   3HG2  THR  19          3HG2      THR  19   1.574   3.530 -12.008
  191    H    VAL  20           H        VAL  20  -0.256   0.475 -10.243
  192    HA   VAL  20           HA       VAL  20   0.335  -1.543  -8.196
  193    HB   VAL  20           HB       VAL  20  -1.947  -0.860  -8.534
  194   1HG1  VAL  20          1HG1      VAL  20  -1.966  -2.023 -11.326
  195   2HG1  VAL  20          2HG1      VAL  20  -3.232  -1.131 -10.538
  196   3HG1  VAL  20          3HG1      VAL  20  -1.784  -0.278 -11.036
  197   1HG2  VAL  20          1HG2      VAL  20  -1.526  -3.197  -7.868
  198   2HG2  VAL  20          2HG2      VAL  20  -3.033  -3.028  -8.789
  199   3HG2  VAL  20          3HG2      VAL  20  -1.597  -3.682  -9.578
  200    H    GLU  21           H        GLU  21   0.061  -1.458 -11.740
  201    HA   GLU  21           HA       GLU  21   0.890  -4.079 -12.279
  202   1HB   GLU  21          2HB       GLU  21   1.589  -1.865 -14.167
  203   2HB   GLU  21          3HB       GLU  21   0.941  -3.449 -14.527
  204   1HG   GLU  21          2HG       GLU  21  -0.584  -1.033 -13.437
  205   2HG   GLU  21          3HG       GLU  21  -0.552  -1.579 -15.103
  206    H    LYS  22           H        LYS  22   2.986  -4.847 -13.238
  207    HA   LYS  22           HA       LYS  22   5.427  -3.347 -12.709
  208   1HB   LYS  22          2HB       LYS  22   4.523  -5.841 -14.151
  209   2HB   LYS  22          3HB       LYS  22   5.977  -5.083 -14.761
  210   1HG   LYS  22          2HG       LYS  22   7.132  -5.305 -12.656
  211   2HG   LYS  22          3HG       LYS  22   5.630  -5.673 -11.807
  212   1HD   LYS  22          2HD       LYS  22   6.789  -7.726 -12.038
  213   2HD   LYS  22          3HD       LYS  22   5.410  -7.778 -13.140
  214   1HE   LYS  22          2HE       LYS  22   6.953  -7.102 -15.020
  215   2HE   LYS  22          3HE       LYS  22   8.315  -7.194 -13.889
  216   1HZ   LYS  22          1HZ       LYS  22   6.502  -9.437 -14.587
  217   2HZ   LYS  22          2HZ       LYS  22   8.044  -9.272 -15.149
  218   3HZ   LYS  22          3HZ       LYS  22   7.769  -9.541 -13.550
  219    H    GLY  23           H        GLY  23   6.707  -2.384 -14.401
  220   1HA   GLY  23          1HA       GLY  23   7.157  -1.428 -16.491
  221   2HA   GLY  23          2HA       GLY  23   5.564  -1.921 -17.065
  222    H    GLY  24           H        GLY  24   3.977  -0.568 -15.082
  223   1HA   GLY  24          1HA       GLY  24   4.125   2.276 -15.750
  224   2HA   GLY  24          2HA       GLY  24   3.160   1.539 -14.459
  225    HA   PRO  25           HA       PRO  25   7.756   2.349 -13.129
  226   1HB   PRO  25          2HB       PRO  25   8.627   4.943 -13.418
  227   2HB   PRO  25          3HB       PRO  25   8.665   3.741 -14.741
  228   1HG   PRO  25          2HG       PRO  25   6.515   5.814 -14.178
  229   2HG   PRO  25          3HG       PRO  25   7.388   5.523 -15.721
  230   1HD   PRO  25          2HD       PRO  25   4.955   4.422 -15.256
  231   2HD   PRO  25          3HD       PRO  25   6.231   3.486 -16.093
  232    H    HIS  26           H        HIS  26   8.841   3.718 -11.364
  233    HA   HIS  26           HA       HIS  26   7.176   4.223  -9.095
  234   1HB   HIS  26          2HB       HIS  26   9.971   5.248  -9.750
  235   2HB   HIS  26          3HB       HIS  26   9.198   5.278  -8.166
  236    HD1  HIS  26           HD1      HIS  26   8.201   1.995  -8.932
  237    HD2  HIS  26           HD2      HIS  26  11.981   3.805  -8.563
  238    HE1  HIS  26           HE1      HIS  26   9.782   0.202  -8.035
  239    H    LYS  27           H        LYS  27   6.780   6.220  -8.044
  240    HA   LYS  27           HA       LYS  27   6.308   8.569  -9.806
  241   1HB   LYS  27          2HB       LYS  27   4.628   6.532  -9.891
  242   2HB   LYS  27          3HB       LYS  27   4.100   7.094  -8.325
  243   1HG   LYS  27          2HG       LYS  27   3.568   9.346  -9.472
  244   2HG   LYS  27          3HG       LYS  27   4.052   8.577 -10.999
  245   1HD   LYS  27          2HD       LYS  27   2.334   6.738 -10.448
  246   2HD   LYS  27          3HD       LYS  27   1.774   7.787  -9.139
  247   1HE   LYS  27          2HE       LYS  27   1.403   9.601 -10.877
  248   2HE   LYS  27          3HE       LYS  27   1.785   8.388 -12.122
  249   1HZ   LYS  27          1HZ       LYS  27  -0.430   8.311 -10.154
  250   2HZ   LYS  27          2HZ       LYS  27  -0.596   8.413 -11.784
  251   3HZ   LYS  27          3HZ       LYS  27  -0.062   7.028 -11.054
  252    H    VAL  28           H        VAL  28   4.188   9.343  -7.738
  253    HA   VAL  28           HA       VAL  28   5.719  10.902  -5.889
  254    HB   VAL  28           HB       VAL  28   2.884   9.892  -5.527
  255   1HG1  VAL  28          1HG1      VAL  28   4.313  12.292  -4.316
  256   2HG1  VAL  28          2HG1      VAL  28   2.580  11.923  -4.138
  257   3HG1  VAL  28          3HG1      VAL  28   3.784  10.841  -3.442
  258   1HG2  VAL  28          1HG2      VAL  28   3.040  11.103  -7.661
  259   2HG2  VAL  28          2HG2      VAL  28   2.170  12.071  -6.471
  260   3HG2  VAL  28          3HG2      VAL  28   3.867  12.449  -6.848
  261    H    GLY  29           H        GLY  29   4.313   7.665  -5.633
  262   1HA   GLY  29          1HA       GLY  29   6.295   7.006  -3.505
  263   2HA   GLY  29          2HA       GLY  29   4.690   6.263  -3.553
  264    HA   PRO  30           HA       PRO  30   7.698   3.761  -6.192
  265   1HB   PRO  30          2HB       PRO  30   7.826   1.476  -4.720
  266   2HB   PRO  30          3HB       PRO  30   8.816   2.914  -4.332
  267   1HG   PRO  30          2HG       PRO  30   6.175   2.065  -3.092
  268   2HG   PRO  30          3HG       PRO  30   7.690   2.536  -2.252
  269   1HD   PRO  30          2HD       PRO  30   5.648   4.299  -2.699
  270   2HD   PRO  30          3HD       PRO  30   7.339   4.822  -2.723
  271    H    ASN  31           H        ASN  31   7.277   1.421  -6.968
  272    HA   ASN  31           HA       ASN  31   4.568   0.927  -7.880
  273   1HB   ASN  31          2HB       ASN  31   7.274  -0.448  -7.960
  274   2HB   ASN  31          3HB       ASN  31   5.857  -1.376  -8.356
  275   1HD2  ASN  31          2HD2      ASN  31   4.795  -1.049 -10.510
  276   2HD2  ASN  31          1HD2      ASN  31   5.499   0.205 -11.490
  277    H    LEU  32           H        LEU  32   3.281  -0.936  -7.277
  278    HA   LEU  32           HA       LEU  32   3.740  -1.996  -4.516
  279   1HB   LEU  32          2HB       LEU  32   1.156  -1.181  -5.873
  280   2HB   LEU  32          3HB       LEU  32   1.300  -1.911  -4.278
  281    HG   LEU  32           HG       LEU  32   2.380   0.835  -5.035
  282   1HD1  LEU  32          1HD1      LEU  32  -0.005  -0.033  -3.350
  283   2HD1  LEU  32          2HD1      LEU  32   0.571   1.629  -3.535
  284   3HD1  LEU  32          3HD1      LEU  32  -0.066   0.755  -4.947
  285   1HD2  LEU  32          1HD2      LEU  32   3.740  -0.137  -3.217
  286   2HD2  LEU  32          2HD2      LEU  32   2.685   1.119  -2.572
  287   3HD2  LEU  32          3HD2      LEU  32   2.269  -0.591  -2.336
  288    H    HIS  33           H        HIS  33   4.475  -3.278  -7.067
  289    HA   HIS  33           HA       HIS  33   2.613  -5.591  -7.491
  290   1HB   HIS  33          2HB       HIS  33   3.702  -4.146  -9.331
  291   2HB   HIS  33          3HB       HIS  33   5.251  -4.801  -8.846
  292    HD1  HIS  33           HD1      HIS  33   5.361  -7.629  -9.094
  293    HD2  HIS  33           HD2      HIS  33   2.191  -5.520 -10.825
  294    HE1  HIS  33           HE1      HIS  33   4.381  -9.148 -10.971
  295    H    GLY  34           H        GLY  34   2.796  -7.021  -6.019
  296   1HA   GLY  34          1HA       GLY  34   3.728  -8.838  -4.828
  297   2HA   GLY  34          2HA       GLY  34   5.227  -8.602  -5.718
  298    H    ILE  35           H        ILE  35   3.781  -6.084  -3.612
  299    HA   ILE  35           HA       ILE  35   6.124  -5.923  -1.960
  300    HB   ILE  35           HB       ILE  35   4.976  -4.463  -0.521
  301   1HG1  ILE  35          2HG1      ILE  35   2.857  -5.513  -0.089
  302   2HG1  ILE  35          3HG1      ILE  35   2.652  -3.855  -0.601
  303   1HG2  ILE  35          1HG2      ILE  35   4.137  -3.933  -3.383
  304   2HG2  ILE  35          2HG2      ILE  35   4.231  -2.727  -2.075
  305   3HG2  ILE  35          3HG2      ILE  35   5.695  -3.538  -2.629
  306   1HD1  ILE  35          1HD1      ILE  35   2.078  -6.306  -2.315
  307   2HD1  ILE  35          2HD1      ILE  35   0.904  -5.233  -1.546
  308   3HD1  ILE  35          3HD1      ILE  35   1.925  -4.612  -2.848
  309    H    PHE  36           H        PHE  36   3.284  -7.977  -1.664
  310    HA   PHE  36           HA       PHE  36   3.492  -8.581   1.089
  311   1HB   PHE  36          2HB       PHE  36   2.329 -10.164  -1.214
  312   2HB   PHE  36          3HB       PHE  36   2.217 -10.671   0.468
  313    HD1  PHE  36           HD1      PHE  36   1.291  -8.923   2.185
  314    HD2  PHE  36           HD2      PHE  36   0.595  -8.748  -2.064
  315    HE1  PHE  36           HE1      PHE  36  -0.689  -7.481   2.569
  316    HE2  PHE  36           HE2      PHE  36  -1.391  -7.315  -1.676
  317    HZ   PHE  36           HZ       PHE  36  -2.039  -6.690   0.668
  318    H    GLY  37           H        GLY  37   4.999  -9.433   2.153
  319   1HA   GLY  37          1HA       GLY  37   6.524 -11.141   2.853
  320   2HA   GLY  37          2HA       GLY  37   6.716 -11.684   1.190
  321    H    ARG  38           H        ARG  38   7.010  -8.480   0.758
  322    HA   ARG  38           HA       ARG  38   9.950  -8.375   1.209
  323   1HB   ARG  38          2HB       ARG  38   8.560  -7.552  -0.930
  324   2HB   ARG  38          3HB       ARG  38   8.340  -6.113   0.037
  325   1HG   ARG  38          2HG       ARG  38  10.199  -5.675  -1.334
  326   2HG   ARG  38          3HG       ARG  38  10.900  -6.055   0.237
  327   1HD   ARG  38          2HD       ARG  38  11.246  -8.401  -0.541
  328   2HD   ARG  38          3HD       ARG  38  10.692  -7.920  -2.144
  329    HE   ARG  38           HE       ARG  38  13.123  -6.829  -0.737
  330   1HH1  ARG  38          1HH2      ARG  38  11.549  -7.467  -3.838
  331   2HH1  ARG  38          2HH2      ARG  38  12.892  -6.746  -4.698
  332   1HH2  ARG  38          1HH1      ARG  38  14.829  -6.091  -2.021
  333   2HH2  ARG  38          2HH1      ARG  38  14.712  -6.259  -3.754
  334    H    HIS  39           H        HIS  39  10.670  -6.177   2.003
  335    HA   HIS  39           HA       HIS  39   9.310  -5.706   4.632
  336   1HB   HIS  39          2HB       HIS  39  12.221  -5.334   3.880
  337   2HB   HIS  39          3HB       HIS  39  11.514  -4.978   5.461
  338    HD1  HIS  39           HD1      HIS  39  12.563  -7.947   3.305
  339    HD2  HIS  39           HD2      HIS  39  10.661  -7.086   6.966
  340    HE1  HIS  39           HE1      HIS  39  12.367 -10.175   4.587
  341    H    SER  40           H        SER  40   8.894  -3.637   5.426
  342    HA   SER  40           HA       SER  40   8.376  -1.608   3.583
  343   1HB   SER  40          2HB       SER  40   7.748  -0.259   5.460
  344   2HB   SER  40          3HB       SER  40   7.336  -1.921   5.834
  345    HG   SER  40           HG       SER  40   9.467  -0.340   6.828
  346    H    GLY  41           H        GLY  41   9.616  -0.192   2.592
  347   1HA   GLY  41          1HA       GLY  41  11.581   1.202   2.273
  348   2HA   GLY  41          2HA       GLY  41  12.398   0.351   3.553
  349    H    GLN  42           H        GLN  42  10.805  -1.465   0.916
  350    HA   GLN  42           HA       GLN  42  13.480  -1.947  -0.316
  351   1HB   GLN  42          2HB       GLN  42  11.614  -4.095   0.663
  352   2HB   GLN  42          3HB       GLN  42  12.975  -4.385  -0.416
  353   1HG   GLN  42          2HG       GLN  42  14.407  -3.184   1.370
  354   2HG   GLN  42          3HG       GLN  42  13.074  -3.559   2.457
  355   1HE2  GLN  42          2HE2      GLN  42  15.833  -4.625   2.519
  356   2HE2  GLN  42          1HE2      GLN  42  15.699  -6.369   2.258
  357    H    ALA  43           H        ALA  43  10.837  -0.595  -1.427
  358    HA   ALA  43           HA       ALA  43  10.744  -1.936  -4.027
  359   1HB   ALA  43          1HB       ALA  43  10.254   0.976  -3.279
  360   2HB   ALA  43          2HB       ALA  43   9.908   0.206  -4.839
  361   3HB   ALA  43          3HB       ALA  43   9.024  -0.304  -3.382
  362    H    GLU  44           H        GLU  44  12.846  -2.538  -4.478
  363    HA   GLU  44           HA       GLU  44  15.121  -1.005  -3.896
  364   1HB   GLU  44          2HB       GLU  44  16.384  -2.649  -5.165
  365   2HB   GLU  44          3HB       GLU  44  15.214  -3.349  -4.061
  366   1HG   GLU  44          2HG       GLU  44  13.770  -3.336  -6.427
  367   2HG   GLU  44          3HG       GLU  44  15.412  -3.566  -7.023
  368    H    GLY  45           H        GLY  45  16.444   0.341  -4.914
  369   1HA   GLY  45          1HA       GLY  45  17.238   1.736  -6.678
  370   2HA   GLY  45          2HA       GLY  45  15.802   1.371  -7.625
  371    H    TYR  46           H        TYR  46  14.336   2.023  -4.790
  372    HA   TYR  46           HA       TYR  46  14.034   4.919  -5.436
  373   1HB   TYR  46          2HB       TYR  46  12.284   3.372  -6.104
  374   2HB   TYR  46          3HB       TYR  46  12.013   2.922  -4.443
  375    HD1  TYR  46           HD1      TYR  46  11.402   5.447  -7.025
  376    HD2  TYR  46           HD2      TYR  46  11.307   4.660  -2.825
  377    HE1  TYR  46           HE1      TYR  46   9.713   7.270  -6.749
  378    HE2  TYR  46           HE2      TYR  46   9.587   6.498  -2.521
  379    HH   TYR  46           HH       TYR  46   8.330   8.365  -5.293
  380    H    SER  47           H        SER  47  14.092   6.460  -4.012
  381    HA   SER  47           HA       SER  47  15.241   6.021  -1.397
  382   1HB   SER  47          2HB       SER  47  14.343   8.557  -2.806
  383   2HB   SER  47          3HB       SER  47  15.217   8.496  -1.261
  384    HG   SER  47           HG       SER  47  16.682   8.733  -2.944
  385    H    TYR  48           H        TYR  48  13.800   5.094   0.004
  386    HA   TYR  48           HA       TYR  48  11.137   6.029   0.611
  387   1HB   TYR  48          2HB       TYR  48  13.195   4.227   1.906
  388   2HB   TYR  48          3HB       TYR  48  11.752   4.661   2.797
  389    HD1  TYR  48           HD1      TYR  48   9.680   3.690   2.409
  390    HD2  TYR  48           HD2      TYR  48  12.920   3.023  -0.370
  391    HE1  TYR  48           HE1      TYR  48   8.378   1.891   1.338
  392    HE2  TYR  48           HE2      TYR  48  11.622   1.239  -1.443
  393    HH   TYR  48           HH       TYR  48   8.548   0.070  -0.030
  394    H    THR  49           H        THR  49  10.481   6.675   2.864
  395    HA   THR  49           HA       THR  49  12.232   8.685   4.152
  396    HB   THR  49           HB       THR  49  10.629   8.678   5.999
  397    HG1  THR  49           1HG      THR  49   8.826   7.200   4.439
  398   1HG2  THR  49          1HG2      THR  49   9.322   9.093   3.301
  399   2HG2  THR  49          2HG2      THR  49   8.823   9.815   4.849
  400   3HG2  THR  49          3HG2      THR  49  10.383  10.249   4.138
  401    H    ASP  50           H        ASP  50  13.527   8.297   5.811
  402    HA   ASP  50           HA       ASP  50  14.449   5.783   6.649
  403   1HB   ASP  50          2HB       ASP  50  15.634   7.865   6.993
  404   2HB   ASP  50          3HB       ASP  50  14.343   8.477   8.039
  405    H    ALA  51           H        ALA  51  11.670   7.642   7.906
  406    HA   ALA  51           HA       ALA  51  11.074   6.060  10.180
  407   1HB   ALA  51          1HB       ALA  51   9.205   7.570   8.299
  408   2HB   ALA  51          2HB       ALA  51   8.828   7.050   9.960
  409   3HB   ALA  51          3HB       ALA  51  10.084   8.268   9.682
  410    H    ASN  52           H        ASN  52  10.080   5.586   6.756
  411    HA   ASN  52           HA       ASN  52   8.488   3.216   7.294
  412   1HB   ASN  52          2HB       ASN  52   8.262   4.804   5.340
  413   2HB   ASN  52          3HB       ASN  52   9.763   4.124   4.690
  414   1HD2  ASN  52          2HD2      ASN  52   6.483   3.937   4.306
  415   2HD2  ASN  52          1HD2      ASN  52   6.469   2.222   3.833
  416    H    ILE  53           H        ILE  53  11.875   3.787   6.383
  417    HA   ILE  53           HA       ILE  53  12.606   1.024   6.054
  418    HB   ILE  53           HB       ILE  53  14.266   3.424   6.798
  419   1HG1  ILE  53          2HG1      ILE  53  14.061   2.014   4.084
  420   2HG1  ILE  53          3HG1      ILE  53  13.112   3.430   4.505
  421   1HG2  ILE  53          1HG2      ILE  53  15.246   0.687   5.837
  422   2HG2  ILE  53          2HG2      ILE  53  16.281   2.109   6.081
  423   3HG2  ILE  53          3HG2      ILE  53  15.504   1.373   7.458
  424   1HD1  ILE  53          1HD1      ILE  53  16.148   3.337   4.266
  425   2HD1  ILE  53          2HD1      ILE  53  15.013   4.137   3.187
  426   3HD1  ILE  53          3HD1      ILE  53  15.217   4.741   4.836
  427    H    LYS  54           H        LYS  54  13.245   3.180   8.897
  428    HA   LYS  54           HA       LYS  54  14.296   1.151  10.570
  429   1HB   LYS  54          2HB       LYS  54  12.843   3.765  11.184
  430   2HB   LYS  54          3HB       LYS  54  13.510   2.715  12.438
  431   1HG   LYS  54          2HG       LYS  54  15.745   2.837  11.209
  432   2HG   LYS  54          3HG       LYS  54  15.056   4.159  10.259
  433   1HD   LYS  54          2HD       LYS  54  14.676   5.489  12.277
  434   2HD   LYS  54          3HD       LYS  54  15.082   4.113  13.312
  435   1HE   LYS  54          2HE       LYS  54  16.962   5.543  13.357
  436   2HE   LYS  54          3HE       LYS  54  17.412   4.126  12.393
  437   1HZ   LYS  54          1HZ       LYS  54  16.449   6.672  11.188
  438   2HZ   LYS  54          2HZ       LYS  54  18.059   6.304  11.333
  439   3HZ   LYS  54          3HZ       LYS  54  16.997   5.481  10.369
  440    H    LYS  55           H        LYS  55  11.232   1.229   9.439
  441    HA   LYS  55           HA       LYS  55   9.967  -0.129  11.807
  442   1HB   LYS  55          2HB       LYS  55   8.677   1.491  10.328
  443   2HB   LYS  55          3HB       LYS  55   8.815   0.316   9.034
  444   1HG   LYS  55          2HG       LYS  55   6.734  -0.162   9.809
  445   2HG   LYS  55          3HG       LYS  55   7.660  -1.347  10.685
  446   1HD   LYS  55          2HD       LYS  55   7.533  -0.061  12.746
  447   2HD   LYS  55          3HD       LYS  55   6.854   1.338  11.876
  448   1HE   LYS  55          2HE       LYS  55   4.972  -0.183  11.109
  449   2HE   LYS  55          3HE       LYS  55   5.555  -1.412  12.236
  450   1HZ   LYS  55          1HZ       LYS  55   4.593   1.311  12.934
  451   2HZ   LYS  55          2HZ       LYS  55   3.745  -0.076  13.127
  452   3HZ   LYS  55          3HZ       LYS  55   5.108   0.182  14.032
  453    H    ASN  56           H        ASN  56  11.487  -0.965   8.770
  454    HA   ASN  56           HA       ASN  56  11.512  -2.867   7.486
  455   1HB   ASN  56          2HB       ASN  56  12.643  -3.768  10.171
  456   2HB   ASN  56          3HB       ASN  56  12.876  -4.645   8.666
  457   1HD2  ASN  56          2HD2      ASN  56  13.483  -2.574   6.814
  458   2HD2  ASN  56          1HD2      ASN  56  14.884  -1.771   7.519
  459    H    VAL  57           H        VAL  57   8.931  -2.605   8.127
  460    HA   VAL  57           HA       VAL  57   7.757  -5.000   9.276
  461    HB   VAL  57           HB       VAL  57   6.872  -2.400   8.336
  462   1HG1  VAL  57          1HG1      VAL  57   5.038  -4.657   7.510
  463   2HG1  VAL  57          2HG1      VAL  57   4.495  -3.002   7.860
  464   3HG1  VAL  57          3HG1      VAL  57   5.628  -3.301   6.549
  465   1HG2  VAL  57          1HG2      VAL  57   6.827  -3.404  10.649
  466   2HG2  VAL  57          2HG2      VAL  57   5.327  -2.633  10.110
  467   3HG2  VAL  57          3HG2      VAL  57   5.465  -4.403  10.125
  468    H    LEU  58           H        LEU  58   7.891  -6.839   8.390
  469    HA   LEU  58           HA       LEU  58   7.990  -7.445   5.552
  470   1HB   LEU  58          2HB       LEU  58   8.750  -8.982   7.317
  471   2HB   LEU  58          3HB       LEU  58   7.093  -9.223   7.858
  472    HG   LEU  58           HG       LEU  58   7.886  -9.783   4.967
  473   1HD1  LEU  58          1HD1      LEU  58   8.161 -11.700   7.322
  474   2HD1  LEU  58          2HD1      LEU  58   8.371 -12.112   5.601
  475   3HD1  LEU  58          3HD1      LEU  58   9.494 -10.991   6.379
  476   1HD2  LEU  58          1HD2      LEU  58   5.469  -9.934   5.418
  477   2HD2  LEU  58          2HD2      LEU  58   6.111 -11.552   5.189
  478   3HD2  LEU  58          3HD2      LEU  58   5.765 -10.970   6.828
  479    H    TRP  59           H        TRP  59   6.453  -6.634   4.290
  480    HA   TRP  59           HA       TRP  59   3.810  -5.950   5.010
  481   1HB   TRP  59          2HB       TRP  59   5.129  -6.444   2.349
  482   2HB   TRP  59          3HB       TRP  59   3.481  -5.848   2.495
  483    HD1  TRP  59           HD1      TRP  59   6.616  -4.442   1.642
  484    HE1  TRP  59           HE1      TRP  59   6.690  -1.950   2.060
  485    HE3  TRP  59           HE3      TRP  59   2.718  -4.043   4.960
  486    HZ2  TRP  59           HZ2      TRP  59   5.646  -0.132   4.037
  487    HZ3  TRP  59           HZ3      TRP  59   2.303  -1.934   6.134
  488    HH2  TRP  59           HH2      TRP  59   3.763   0.070   5.692
  489    H    ASP  60           H        ASP  60   2.207  -7.106   5.515
  490    HA   ASP  60           HA       ASP  60   1.568  -9.780   4.381
  491   1HB   ASP  60          2HB       ASP  60   2.525 -10.501   6.336
  492   2HB   ASP  60          3HB       ASP  60   2.267  -8.968   7.163
  493    H    GLU  61           H        GLU  61  -0.691 -10.330   5.239
  494    HA   GLU  61           HA       GLU  61  -2.538  -8.443   3.965
  495   1HB   GLU  61          2HB       GLU  61  -2.972 -11.037   5.481
  496   2HB   GLU  61          3HB       GLU  61  -4.308 -10.017   4.934
  497   1HG   GLU  61          2HG       GLU  61  -3.448 -10.165   2.590
  498   2HG   GLU  61          3HG       GLU  61  -2.212 -11.301   3.145
  499    H    ASN  62           H        ASN  62  -2.126  -9.461   7.417
  500    HA   ASN  62           HA       ASN  62  -4.110  -7.535   8.355
  501   1HB   ASN  62          2HB       ASN  62  -2.053  -9.343   9.711
  502   2HB   ASN  62          3HB       ASN  62  -3.119  -8.268  10.596
  503   1HD2  ASN  62          2HD2      ASN  62  -5.611  -8.650   9.134
  504   2HD2  ASN  62          1HD2      ASN  62  -5.988 -10.352   9.440
  505    H    ASN  63           H        ASN  63  -0.586  -7.765   8.433
  506    HA   ASN  63           HA       ASN  63   0.031  -5.388   9.823
  507   1HB   ASN  63          2HB       ASN  63   1.454  -7.397   9.258
  508   2HB   ASN  63          3HB       ASN  63   1.572  -6.812   7.596
  509   1HD2  ASN  63          2HD2      ASN  63   3.904  -7.293   8.569
  510   2HD2  ASN  63          1HD2      ASN  63   4.654  -5.826   9.179
  511    H    MET  64           H        MET  64  -0.256  -5.778   6.238
  512    HA   MET  64           HA       MET  64   0.313  -2.960   5.741
  513   1HB   MET  64          2HB       MET  64   0.550  -4.974   4.098
  514   2HB   MET  64          3HB       MET  64  -1.180  -4.775   3.847
  515   1HG   MET  64          2HG       MET  64  -0.790  -2.429   3.117
  516   2HG   MET  64          3HG       MET  64   0.924  -2.609   3.485
  517   1HE   MET  64          1HE       MET  64  -1.808  -2.964   0.774
  518   2HE   MET  64          2HE       MET  64  -1.308  -4.422  -0.113
  519   3HE   MET  64          3HE       MET  64  -1.894  -4.561   1.563
  520    H    SER  65           H        SER  65  -2.615  -4.819   6.455
  521    HA   SER  65           HA       SER  65  -4.508  -2.786   5.707
  522   1HB   SER  65          2HB       SER  65  -4.909  -5.287   6.176
  523   2HB   SER  65          3HB       SER  65  -4.972  -4.851   7.887
  524    HG   SER  65           HG       SER  65  -6.903  -4.864   6.278
  525    H    GLU  66           H        GLU  66  -2.697  -3.336   8.746
  526    HA   GLU  66           HA       GLU  66  -4.041  -1.284  10.264
  527   1HB   GLU  66          2HB       GLU  66  -2.690  -3.118  11.252
  528   2HB   GLU  66          3HB       GLU  66  -1.216  -2.365  10.625
  529   1HG   GLU  66          2HG       GLU  66  -1.415  -0.472  12.019
  530   2HG   GLU  66          3HG       GLU  66  -3.139  -0.693  12.270
  531    H    TYR  67           H        TYR  67  -0.913  -1.240   8.478
  532    HA   TYR  67           HA       TYR  67  -0.374   1.523   8.645
  533   1HB   TYR  67          2HB       TYR  67   1.185  -0.142   7.709
  534   2HB   TYR  67          3HB       TYR  67   0.114  -0.411   6.349
  535    HD1  TYR  67           HD1      TYR  67   0.924   0.517   4.327
  536    HD2  TYR  67           HD2      TYR  67   1.523   2.610   8.030
  537    HE1  TYR  67           HE1      TYR  67   2.088   2.334   3.119
  538    HE2  TYR  67           HE2      TYR  67   2.671   4.474   6.796
  539    HH   TYR  67           HH       TYR  67   3.524   4.198   3.413
  540    H    LEU  68           H        LEU  68  -2.400  -0.168   6.207
  541    HA   LEU  68           HA       LEU  68  -3.299   2.287   4.948
  542   1HB   LEU  68          2HB       LEU  68  -4.420  -0.537   4.945
  543   2HB   LEU  68          3HB       LEU  68  -5.063   0.774   3.963
  544    HG   LEU  68           HG       LEU  68  -2.209  -0.275   3.756
  545   1HD1  LEU  68          1HD1      LEU  68  -4.624  -0.707   1.963
  546   2HD1  LEU  68          2HD1      LEU  68  -2.965  -1.227   1.619
  547   3HD1  LEU  68          3HD1      LEU  68  -3.834  -1.932   2.990
  548   1HD2  LEU  68          1HD2      LEU  68  -2.294   2.048   3.043
  549   2HD2  LEU  68          2HD2      LEU  68  -2.131   0.985   1.655
  550   3HD2  LEU  68          3HD2      LEU  68  -3.714   1.718   2.022
  551    H    THR  69           H        THR  69  -4.224   0.919   7.974
  552    HA   THR  69           HA       THR  69  -6.825   2.288   8.120
  553    HB   THR  69           HB       THR  69  -5.223   1.171  10.377
  554    HG1  THR  69           1HG      THR  69  -5.860  -0.384   8.834
  555   1HG2  THR  69          1HG2      THR  69  -8.149   1.975  10.147
  556   2HG2  THR  69          2HG2      THR  69  -7.429   1.097  11.516
  557   3HG2  THR  69          3HG2      THR  69  -6.920   2.755  11.172
  558    H    ASN  70           H        ASN  70  -3.570   2.805   9.550
  559    HA   ASN  70           HA       ASN  70  -4.070   5.723   9.512
  560   1HB   ASN  70          2HB       ASN  70  -4.877   4.765  11.724
  561   2HB   ASN  70          3HB       ASN  70  -3.182   4.453  12.110
  562   1HD2  ASN  70          2HD2      ASN  70  -5.547   6.611  12.706
  563   2HD2  ASN  70          1HD2      ASN  70  -4.591   8.096  12.710
  564    HA   PRO  71           HA       PRO  71   0.018   4.338   8.063
  565   1HB   PRO  71          2HB       PRO  71   0.509   6.302   6.169
  566   2HB   PRO  71          3HB       PRO  71  -0.493   4.849   5.885
  567   1HG   PRO  71          2HG       PRO  71  -1.425   7.629   6.660
  568   2HG   PRO  71          3HG       PRO  71  -2.065   6.563   5.374
  569   1HD   PRO  71          2HD       PRO  71  -3.266   6.719   7.791
  570   2HD   PRO  71          3HD       PRO  71  -3.125   5.140   6.954
  571    H    LYS  72           H        LYS  72  -0.776   7.697   8.819
  572    HA   LYS  72           HA       LYS  72   1.930   8.521   9.471
  573   1HB   LYS  72          2HB       LYS  72  -0.810   9.780   9.855
  574   2HB   LYS  72          3HB       LYS  72   0.692  10.584  10.338
  575   1HG   LYS  72          2HG       LYS  72   1.540  10.638   8.096
  576   2HG   LYS  72          3HG       LYS  72   0.268   9.557   7.497
  577   1HD   LYS  72          2HD       LYS  72  -1.450  11.212   7.972
  578   2HD   LYS  72          3HD       LYS  72  -0.240  12.339   8.632
  579   1HE   LYS  72          2HE       LYS  72   0.796  12.649   6.500
  580   2HE   LYS  72          3HE       LYS  72   0.021  11.203   5.832
  581   1HZ   LYS  72          1HZ       LYS  72  -1.525  13.602   6.630
  582   2HZ   LYS  72          2HZ       LYS  72  -1.114  13.213   5.064
  583   3HZ   LYS  72          3HZ       LYS  72  -2.058  12.212   5.885
  584    H    LYS  73           H        LYS  73  -0.529   6.989  11.448
  585    HA   LYS  73           HA       LYS  73   1.156   7.529  13.844
  586   1HB   LYS  73          2HB       LYS  73  -1.374   7.519  13.985
  587   2HB   LYS  73          3HB       LYS  73  -1.328   5.785  13.651
  588   1HG   LYS  73          2HG       LYS  73  -1.585   6.116  16.015
  589   2HG   LYS  73          3HG       LYS  73   0.024   5.452  15.741
  590   1HD   LYS  73          2HD       LYS  73   1.000   7.740  15.990
  591   2HD   LYS  73          3HD       LYS  73  -0.637   8.398  16.222
  592   1HE   LYS  73          2HE       LYS  73  -0.897   6.890  18.218
  593   2HE   LYS  73          3HE       LYS  73   0.763   6.328  17.977
  594   1HZ   LYS  73          1HZ       LYS  73  -0.039   9.121  18.580
  595   2HZ   LYS  73          2HZ       LYS  73   0.693   8.087  19.625
  596   3HZ   LYS  73          3HZ       LYS  73   1.506   8.631  18.302
  597    H    TYR  74           H        TYR  74   0.413   4.804  11.657
  598    HA   TYR  74           HA       TYR  74   1.917   2.876  13.154
  599   1HB   TYR  74          2HB       TYR  74   0.151   2.453  11.388
  600   2HB   TYR  74          3HB       TYR  74   1.335   2.881  10.173
  601    HD1  TYR  74           HD1      TYR  74   0.739   0.557  13.077
  602    HD2  TYR  74           HD2      TYR  74   2.732   1.121   9.277
  603    HE1  TYR  74           HE1      TYR  74   1.553  -1.783  13.140
  604    HE2  TYR  74           HE2      TYR  74   3.455  -1.259   9.325
  605    HH   TYR  74           HH       TYR  74   2.895  -3.423  10.565
  606    H    ILE  75           H        ILE  75   2.768   4.917  10.397
  607    HA   ILE  75           HA       ILE  75   5.691   4.588  10.941
  608    HB   ILE  75           HB       ILE  75   4.422   5.417   8.322
  609   1HG1  ILE  75          2HG1      ILE  75   3.827   3.105   8.630
  610   2HG1  ILE  75          3HG1      ILE  75   5.004   3.307   7.345
  611   1HG2  ILE  75          1HG2      ILE  75   7.274   4.694   9.121
  612   2HG2  ILE  75          2HG2      ILE  75   6.737   5.011   7.458
  613   3HG2  ILE  75          3HG2      ILE  75   6.689   6.298   8.660
  614   1HD1  ILE  75          1HD1      ILE  75   5.608   2.276  10.137
  615   2HD1  ILE  75          2HD1      ILE  75   5.435   1.307   8.662
  616   3HD1  ILE  75          3HD1      ILE  75   6.788   2.439   8.815
  617    HA   PRO  76           HA       PRO  76   4.469   8.936  12.021
  618   1HB   PRO  76          2HB       PRO  76   6.050   9.272  14.213
  619   2HB   PRO  76          3HB       PRO  76   4.479   8.412  14.262
  620   1HG   PRO  76          2HG       PRO  76   7.252   7.198  14.033
  621   2HG   PRO  76          3HG       PRO  76   5.929   6.734  15.150
  622   1HD   PRO  76          2HD       PRO  76   6.395   5.421  12.804
  623   2HD   PRO  76          3HD       PRO  76   4.735   5.649  13.431
  624    H    GLY  77           H        GLY  77   5.396   9.374   9.999
  625   1HA   GLY  77          1HA       GLY  77   7.199  11.254   9.512
  626   2HA   GLY  77          2HA       GLY  77   8.328   9.960   9.860
  627    H    THR  78           H        THR  78   5.717   8.509   8.298
  628    HA   THR  78           HA       THR  78   6.976   7.901   5.856
  629    HB   THR  78           HB       THR  78   5.085   6.627   6.610
  630    HG1  THR  78           1HG      THR  78   5.186   6.565   4.412
  631   1HG2  THR  78          1HG2      THR  78   3.294   9.044   6.086
  632   2HG2  THR  78          2HG2      THR  78   2.789   7.422   6.597
  633   3HG2  THR  78          3HG2      THR  78   3.713   8.444   7.701
  634    H    LYS  79           H        LYS  79   6.764   8.600   3.721
  635    HA   LYS  79           HA       LYS  79   6.002  11.443   3.242
  636   1HB   LYS  79          2HB       LYS  79   7.450   9.301   1.712
  637   2HB   LYS  79          3HB       LYS  79   6.604  10.517   0.764
  638   1HG   LYS  79          2HG       LYS  79   8.411  11.460   2.977
  639   2HG   LYS  79          3HG       LYS  79   9.112  10.868   1.459
  640   1HD   LYS  79          2HD       LYS  79   7.779  12.490   0.177
  641   2HD   LYS  79          3HD       LYS  79   7.042  13.095   1.682
  642   1HE   LYS  79          2HE       LYS  79   9.267  13.739   2.533
  643   2HE   LYS  79          3HE       LYS  79  10.041  13.049   1.098
  644   1HZ   LYS  79          1HZ       LYS  79   8.152  15.335   1.072
  645   2HZ   LYS  79          2HZ       LYS  79   9.777  15.455   0.893
  646   3HZ   LYS  79          3HZ       LYS  79   8.880  14.690  -0.253
  647    H    MET  80           H        MET  80   4.250   8.626   3.438
  648    HA   MET  80           HA       MET  80   2.283   9.006   1.378
  649   1HB   MET  80          2HB       MET  80   2.774   6.878   2.487
  650   2HB   MET  80          3HB       MET  80   2.138   7.509   4.009
  651   1HG   MET  80          2HG       MET  80   0.008   7.386   3.370
  652   2HG   MET  80          3HG       MET  80   0.315   7.754   1.678
  653   1HE   MET  80          1HE       MET  80  -1.847   5.853   1.780
  654   2HE   MET  80          2HE       MET  80  -1.544   4.136   2.130
  655   3HE   MET  80          3HE       MET  80  -1.476   5.329   3.443
  656    H    ALA  81           H        ALA  81   1.880  11.232   1.438
  657    HA   ALA  81           HA       ALA  81   0.816  12.584   3.647
  658   1HB   ALA  81          1HB       ALA  81   0.358  13.256   0.710
  659   2HB   ALA  81          2HB       ALA  81   0.273  14.382   2.075
  660   3HB   ALA  81          3HB       ALA  81   1.830  13.659   1.629
  661    H    PHE  82           H        PHE  82  -0.675  10.201   2.359
  662    HA   PHE  82           HA       PHE  82  -3.485  10.789   2.104
  663   1HB   PHE  82          2HB       PHE  82  -2.339   8.772   1.218
  664   2HB   PHE  82          3HB       PHE  82  -2.041   8.226   2.863
  665    HD1  PHE  82           HD1      PHE  82  -3.456   6.527   3.638
  666    HD2  PHE  82           HD2      PHE  82  -4.974   9.336   0.735
  667    HE1  PHE  82           HE1      PHE  82  -5.619   5.338   3.629
  668    HE2  PHE  82           HE2      PHE  82  -7.153   8.175   0.768
  669    HZ   PHE  82           HZ       PHE  82  -7.491   6.182   2.224
  670    H    GLY  83           H        GLY  83  -5.174   9.768   3.571
  671   1HA   GLY  83          1HA       GLY  83  -4.846  10.902   6.295
  672   2HA   GLY  83          2HA       GLY  83  -6.355  10.458   5.512
  673    H    GLY  84           H        GLY  84  -6.084   7.834   4.894
  674   1HA   GLY  84          1HA       GLY  84  -5.349   5.706   6.060
  675   2HA   GLY  84          2HA       GLY  84  -5.797   6.503   7.565
  676    H    LEU  85           H        LEU  85  -6.802   4.081   5.935
  677    HA   LEU  85           HA       LEU  85  -9.632   4.699   5.425
  678   1HB   LEU  85          2HB       LEU  85  -7.951   2.211   5.052
  679   2HB   LEU  85          3HB       LEU  85  -9.658   2.313   4.639
  680    HG   LEU  85           HG       LEU  85  -7.899   4.444   3.481
  681   1HD1  LEU  85          1HD1      LEU  85  -7.839   1.582   2.480
  682   2HD1  LEU  85          2HD1      LEU  85  -7.234   3.000   1.609
  683   3HD1  LEU  85          3HD1      LEU  85  -6.468   2.526   3.130
  684   1HD2  LEU  85          1HD2      LEU  85 -10.350   4.303   3.026
  685   2HD2  LEU  85          2HD2      LEU  85  -9.363   4.149   1.556
  686   3HD2  LEU  85          3HD2      LEU  85 -10.089   2.706   2.285
  687    H    LYS  86           H        LYS  86 -10.067   5.224   7.635
  688    HA   LYS  86           HA       LYS  86 -10.486   3.174   9.637
  689   1HB   LYS  86          2HB       LYS  86 -11.777   4.776  10.830
  690   2HB   LYS  86          3HB       LYS  86 -10.314   5.523  10.222
  691   1HG   LYS  86          2HG       LYS  86 -11.430   7.039   8.933
  692   2HG   LYS  86          3HG       LYS  86 -12.645   5.872   8.398
  693   1HD   LYS  86          2HD       LYS  86 -13.737   5.996  10.642
  694   2HD   LYS  86          3HD       LYS  86 -12.604   7.262  11.119
  695   1HE   LYS  86          2HE       LYS  86 -14.524   7.393   8.743
  696   2HE   LYS  86          3HE       LYS  86 -14.883   8.044  10.345
  697   1HZ   LYS  86          1HZ       LYS  86 -12.624   8.948   8.644
  698   2HZ   LYS  86          2HZ       LYS  86 -14.036   9.759   8.850
  699   3HZ   LYS  86          3HZ       LYS  86 -13.019   9.554  10.120
  700    H    LYS  87           H        LYS  87 -11.340   1.985   7.390
  701    HA   LYS  87           HA       LYS  87 -14.135   1.173   7.974
  702   1HB   LYS  87          2HB       LYS  87 -13.110   2.294   5.351
  703   2HB   LYS  87          3HB       LYS  87 -14.234   0.947   5.346
  704   1HG   LYS  87          2HG       LYS  87 -15.929   2.338   6.566
  705   2HG   LYS  87          3HG       LYS  87 -14.831   3.748   6.385
  706   1HD   LYS  87          2HD       LYS  87 -14.697   3.328   3.963
  707   2HD   LYS  87          3HD       LYS  87 -15.708   1.886   4.153
  708   1HE   LYS  87          2HE       LYS  87 -17.656   3.283   4.637
  709   2HE   LYS  87          3HE       LYS  87 -16.661   4.732   4.334
  710   1HZ   LYS  87          1HZ       LYS  87 -16.924   2.483   2.384
  711   2HZ   LYS  87          2HZ       LYS  87 -17.793   3.911   2.255
  712   3HZ   LYS  87          3HZ       LYS  87 -16.130   3.785   2.124
  713    H    GLU  88           H        GLU  88 -14.146  -0.957   8.135
  714    HA   GLU  88           HA       GLU  88 -11.963  -2.652   7.330
  715   1HB   GLU  88          2HB       GLU  88 -13.133  -4.353   8.353
  716   2HB   GLU  88          3HB       GLU  88 -13.475  -2.931   9.305
  717   1HG   GLU  88          2HG       GLU  88 -15.289  -4.546   7.543
  718   2HG   GLU  88          3HG       GLU  88 -15.453  -4.200   9.256
  719    H    LYS  89           H        LYS  89 -15.306  -2.353   6.015
  720    HA   LYS  89           HA       LYS  89 -15.140  -4.025   3.834
  721   1HB   LYS  89          2HB       LYS  89 -16.988  -2.585   2.922
  722   2HB   LYS  89          3HB       LYS  89 -17.169  -3.268   4.525
  723   1HG   LYS  89          2HG       LYS  89 -16.440  -0.954   5.452
  724   2HG   LYS  89          3HG       LYS  89 -16.693  -0.352   3.820
  725   1HD   LYS  89          2HD       LYS  89 -19.000  -0.677   3.917
  726   2HD   LYS  89          3HD       LYS  89 -18.900  -1.998   5.073
  727   1HE   LYS  89          2HE       LYS  89 -18.357   0.906   5.809
  728   2HE   LYS  89          3HE       LYS  89 -19.914   0.081   5.989
  729   1HZ   LYS  89          1HZ       LYS  89 -17.400  -0.652   7.418
  730   2HZ   LYS  89          2HZ       LYS  89 -18.812  -0.155   8.098
  731   3HZ   LYS  89          3HZ       LYS  89 -18.586  -1.626   7.339
  732    H    ASP  90           H        ASP  90 -14.410  -0.503   3.555
  733    HA   ASP  90           HA       ASP  90 -13.690  -0.625   0.839
  734   1HB   ASP  90          2HB       ASP  90 -13.055   1.279   3.118
  735   2HB   ASP  90          3HB       ASP  90 -12.461   1.521   1.498
  736    H    ARG  91           H        ARG  91 -11.637  -1.145   3.804
  737    HA   ARG  91           HA       ARG  91  -9.255  -1.663   2.200
  738   1HB   ARG  91          2HB       ARG  91  -9.998  -2.215   5.107
  739   2HB   ARG  91          3HB       ARG  91  -8.495  -2.820   4.382
  740   1HG   ARG  91          2HG       ARG  91  -7.978  -0.481   3.622
  741   2HG   ARG  91          3HG       ARG  91  -9.343   0.081   4.594
  742   1HD   ARG  91          2HD       ARG  91  -7.060  -1.576   5.778
  743   2HD   ARG  91          3HD       ARG  91  -6.952   0.170   5.605
  744    HE   ARG  91           HE       ARG  91  -8.690   0.523   7.128
  745   1HH1  ARG  91          1HH2      ARG  91  -7.793  -2.877   7.225
  746   2HH1  ARG  91          2HH2      ARG  91  -8.879  -3.189   8.537
  747   1HH2  ARG  91          1HH1      ARG  91  -9.508   0.144   8.971
  748   2HH2  ARG  91          2HH1      ARG  91  -9.594  -1.446   9.689
  749    H    ASN  92           H        ASN  92 -11.822  -3.832   3.385
  750    HA   ASN  92           HA       ASN  92 -10.457  -6.274   2.695
  751   1HB   ASN  92          2HB       ASN  92 -13.430  -5.621   2.767
  752   2HB   ASN  92          3HB       ASN  92 -12.783  -7.207   2.376
  753   1HD2  ASN  92          2HD2      ASN  92 -14.147  -5.647   4.890
  754   2HD2  ASN  92          1HD2      ASN  92 -13.232  -6.475   6.176
  755    H    ASP  93           H        ASP  93 -12.646  -4.203   0.703
  756    HA   ASP  93           HA       ASP  93 -12.198  -5.602  -1.771
  757   1HB   ASP  93          2HB       ASP  93 -12.949  -2.751  -1.081
  758   2HB   ASP  93          3HB       ASP  93 -12.672  -3.242  -2.749
  759    H    LEU  94           H        LEU  94 -10.442  -2.702  -0.502
  760    HA   LEU  94           HA       LEU  94  -8.662  -2.458  -2.663
  761   1HB   LEU  94          2HB       LEU  94  -9.066  -1.185  -0.179
  762   2HB   LEU  94          3HB       LEU  94  -7.414  -1.727  -0.091
  763    HG   LEU  94           HG       LEU  94  -8.585  -0.090  -2.393
  764   1HD1  LEU  94          1HD1      LEU  94  -6.964   0.833   0.011
  765   2HD1  LEU  94          2HD1      LEU  94  -7.478   1.841  -1.359
  766   3HD1  LEU  94          3HD1      LEU  94  -8.688   1.155  -0.261
  767   1HD2  LEU  94          1HD2      LEU  94  -6.542  -1.267  -3.048
  768   2HD2  LEU  94          2HD2      LEU  94  -6.201   0.460  -2.838
  769   3HD2  LEU  94          3HD2      LEU  94  -5.712  -0.693  -1.582
  770    H    ILE  95           H        ILE  95  -8.241  -4.408   0.271
  771    HA   ILE  95           HA       ILE  95  -5.631  -5.473  -0.418
  772    HB   ILE  95           HB       ILE  95  -7.749  -6.355   1.571
  773   1HG1  ILE  95          2HG1      ILE  95  -4.970  -5.141   2.010
  774   2HG1  ILE  95          3HG1      ILE  95  -6.411  -4.147   1.846
  775   1HG2  ILE  95          1HG2      ILE  95  -4.931  -7.495   1.196
  776   2HG2  ILE  95          2HG2      ILE  95  -5.993  -7.842   2.570
  777   3HG2  ILE  95          3HG2      ILE  95  -6.457  -8.375   0.974
  778   1HD1  ILE  95          1HD1      ILE  95  -5.888  -6.155   4.058
  779   2HD1  ILE  95          2HD1      ILE  95  -5.957  -4.385   4.146
  780   3HD1  ILE  95          3HD1      ILE  95  -7.437  -5.309   3.806
  781    H    THR  96           H        THR  96  -8.980  -6.810  -0.801
  782    HA   THR  96           HA       THR  96  -8.219  -9.284  -1.959
  783    HB   THR  96           HB       THR  96 -10.623  -7.625  -2.841
  784    HG1  THR  96           1HG      THR  96 -10.609  -7.947  -0.611
  785   1HG2  THR  96          1HG2      THR  96 -10.125 -10.641  -2.810
  786   2HG2  THR  96          2HG2      THR  96 -11.641  -9.844  -3.261
  787   3HG2  THR  96          3HG2      THR  96 -10.208  -9.622  -4.270
  788    H    TYR  97           H        TYR  97  -8.647  -6.143  -3.518
  789    HA   TYR  97           HA       TYR  97  -7.760  -6.845  -6.165
  790   1HB   TYR  97          2HB       TYR  97  -8.965  -4.861  -5.825
  791   2HB   TYR  97          3HB       TYR  97  -7.919  -4.299  -4.546
  792    HD1  TYR  97           HD1      TYR  97  -6.182  -2.802  -4.999
  793    HD2  TYR  97           HD2      TYR  97  -7.805  -5.194  -8.201
  794    HE1  TYR  97           HE1      TYR  97  -4.930  -1.452  -6.657
  795    HE2  TYR  97           HE2      TYR  97  -6.608  -3.761  -9.867
  796    HH   TYR  97           HH       TYR  97  -4.658  -0.997  -8.846
  797    H    LEU  98           H        LEU  98  -5.803  -5.190  -3.544
  798    HA   LEU  98           HA       LEU  98  -3.476  -5.259  -5.152
  799   1HB   LEU  98          2HB       LEU  98  -4.297  -4.374  -2.486
  800   2HB   LEU  98          3HB       LEU  98  -2.752  -5.108  -2.371
  801    HG   LEU  98           HG       LEU  98  -3.094  -3.182  -4.662
  802   1HD1  LEU  98          1HD1      LEU  98  -2.983  -2.230  -1.781
  803   2HD1  LEU  98          2HD1      LEU  98  -2.814  -1.219  -3.235
  804   3HD1  LEU  98          3HD1      LEU  98  -4.340  -2.060  -2.920
  805   1HD2  LEU  98          1HD2      LEU  98  -0.887  -4.226  -4.144
  806   2HD2  LEU  98          2HD2      LEU  98  -0.861  -2.462  -4.002
  807   3HD2  LEU  98          3HD2      LEU  98  -0.918  -3.471  -2.538
  808    H    LYS  99           H        LYS  99  -4.662  -7.634  -2.920
  809    HA   LYS  99           HA       LYS  99  -2.369  -9.413  -2.979
  810   1HB   LYS  99          2HB       LYS  99  -4.358  -9.453  -1.381
  811   2HB   LYS  99          3HB       LYS  99  -5.300 -10.224  -2.646
  812   1HG   LYS  99          2HG       LYS  99  -2.626 -11.451  -1.953
  813   2HG   LYS  99          3HG       LYS  99  -3.851 -11.485  -0.701
  814   1HD   LYS  99          2HD       LYS  99  -3.843 -13.559  -1.903
  815   2HD   LYS  99          3HD       LYS  99  -5.394 -12.744  -2.139
  816   1HE   LYS  99          2HE       LYS  99  -4.815 -12.111  -4.397
  817   2HE   LYS  99          3HE       LYS  99  -3.098 -12.466  -4.101
  818   1HZ   LYS  99          1HZ       LYS  99  -5.163 -14.567  -4.313
  819   2HZ   LYS  99          2HZ       LYS  99  -3.904 -14.174  -5.378
  820   3HZ   LYS  99          3HZ       LYS  99  -3.558 -14.743  -3.951
  821    H    LYS 100           H        LYS 100  -5.306  -9.181  -5.009
  822    HA   LYS 100           HA       LYS 100  -4.567 -11.340  -6.822
  823   1HB   LYS 100          2HB       LYS 100  -6.884 -10.426  -6.311
  824   2HB   LYS 100          3HB       LYS 100  -6.506  -9.037  -7.303
  825   1HG   LYS 100          2HG       LYS 100  -7.889 -10.656  -8.485
  826   2HG   LYS 100          3HG       LYS 100  -6.363 -10.436  -9.312
  827   1HD   LYS 100          2HD       LYS 100  -6.473 -12.693  -7.331
  828   2HD   LYS 100          3HD       LYS 100  -7.516 -12.863  -8.751
  829   1HE   LYS 100          2HE       LYS 100  -5.673 -12.710 -10.289
  830   2HE   LYS 100          3HE       LYS 100  -4.584 -12.152  -9.023
  831   1HZ   LYS 100          1HZ       LYS 100  -5.662 -14.916  -9.056
  832   2HZ   LYS 100          2HZ       LYS 100  -4.113 -14.389  -9.408
  833   3HZ   LYS 100          3HZ       LYS 100  -4.563 -14.193  -7.984
  834    H    ALA 101           H        ALA 101  -3.663  -8.152  -6.641
  835    HA   ALA 101           HA       ALA 101  -2.475  -7.925  -9.361
  836   1HB   ALA 101          1HB       ALA 101  -2.300  -6.061  -6.958
  837   2HB   ALA 101          2HB       ALA 101  -1.737  -5.727  -8.602
  838   3HB   ALA 101          3HB       ALA 101  -3.477  -5.928  -8.294
  839    H    THR 102           H        THR 102  -1.503  -9.151  -6.280
  840    HA   THR 102           HA       THR 102   1.389  -9.088  -7.004
  841    HB   THR 102           HB       THR 102  -0.149 -10.031  -4.549
  842    HG1  THR 102           1HG      THR 102   0.363  -7.893  -4.728
  843   1HG2  THR 102          1HG2      THR 102   2.733 -10.646  -5.268
  844   2HG2  THR 102          2HG2      THR 102   2.151 -10.536  -3.584
  845   3HG2  THR 102          3HG2      THR 102   1.483 -11.746  -4.687
  846    H    GLU 103           H        GLU 103  -1.388 -11.408  -6.381
  847    HA   GLU 103           HA       GLU 103  -0.361 -13.281  -8.334
  848   1HB   GLU 103          2HB       GLU 103  -0.222 -15.183  -6.865
  849   2HB   GLU 103          3HB       GLU 103   1.010 -13.983  -6.601
  850   1HG   GLU 103          2HG       GLU 103   0.594 -14.642  -4.472
  851   2HG   GLU 103          3HG       GLU 103  -0.395 -13.194  -4.579
  852    HHA  HEC 104           HHA      HEC 104   5.148   3.369   1.039
  853    HHB  HEC 104           HHB      HEC 104  -0.560   0.596  -0.163
  854    HHC  HEC 104           HHC      HEC 104  -3.094   6.435  -1.410
  855    HHD  HEC 104           HHD      HEC 104   2.815   8.937  -1.225
  856   1HMA  HEC 104          1HMA      HEC 104   1.652  -0.976   1.702
  857   2HMA  HEC 104          2HMA      HEC 104   0.915  -0.973   0.085
  858   3HMA  HEC 104          3HMA      HEC 104   2.644  -1.250   0.254
  859   1HAA  HEC 104          1HAA      HEC 104   4.319  -0.308   1.598
  860   2HAA  HEC 104          2HAA      HEC 104   5.073   1.227   2.018
  861   1HBA  HEC 104          1HBA      HEC 104   5.948   1.520  -0.199
  862   2HBA  HEC 104          2HBA      HEC 104   4.860   0.295  -0.866
  863   1HMB  HEC 104          1HMB      HEC 104  -3.961   0.966  -0.338
  864   2HMB  HEC 104          2HMB      HEC 104  -3.641   1.067  -2.081
  865   3HMB  HEC 104          3HMB      HEC 104  -2.494   0.276  -1.023
  866    HAB  HEC 104           HAB      HEC 104  -4.577   5.083  -1.558
  867   1HBB  HEC 104          1HBB      HEC 104  -5.013   4.293   0.679
  868   2HBB  HEC 104          2HBB      HEC 104  -6.406   4.068  -0.396
  869   3HBB  HEC 104          3HBB      HEC 104  -5.392   2.680   0.046
  870   1HMC  HEC 104          1HMC      HEC 104  -3.253   8.800  -1.264
  871   2HMC  HEC 104          2HMC      HEC 104  -2.359  10.070  -2.100
  872   3HMC  HEC 104          3HMC      HEC 104  -2.790   8.583  -2.962
  873    HAC  HEC 104           HAC      HEC 104   1.579  10.071  -2.479
  874   1HBC  HEC 104          1HBC      HEC 104   0.768  11.243  -0.542
  875   2HBC  HEC 104          2HBC      HEC 104   0.646  12.242  -2.002
  876   3HBC  HEC 104          3HBC      HEC 104  -0.811  11.498  -1.311
  877   1HMD  HEC 104          1HMD      HEC 104   6.398   8.455  -0.146
  878   2HMD  HEC 104          2HMD      HEC 104   5.640   8.305  -1.729
  879   3HMD  HEC 104          3HMD      HEC 104   4.892   9.313  -0.480
  880   1HAD  HEC 104          1HAD      HEC 104   7.255   6.494  -0.082
  881   2HAD  HEC 104          2HAD      HEC 104   6.798   4.854  -0.428
  882   1HBD  HEC 104          1HBD      HEC 104   8.408   5.213   1.418
  883   2HBD  HEC 104          2HBD      HEC 104   7.060   4.165   1.796
  Start of MODEL   31
    1   1H    THR  -5          H1        THR  -5 -10.137 -12.788  13.216
    2   2H    THR  -5          H2        THR  -5  -8.892 -11.890  13.729
    3   3H    THR  -5          H3        THR  -5  -8.688 -13.533  13.528
    4    HA   THR  -5           HA       THR  -5  -7.662 -12.191  11.761
    5    HB   THR  -5           HB       THR  -5  -9.990 -13.866  10.719
    6    HG1  THR  -5           1HG      THR  -5  -8.225 -15.485  10.954
    7   1HG2  THR  -5          1HG2      THR  -5  -7.097 -13.485   9.773
    8   2HG2  THR  -5          2HG2      THR  -5  -8.329 -14.523   9.010
    9   3HG2  THR  -5          3HG2      THR  -5  -8.532 -12.771   9.006
   10    H    GLU  -4           H        GLU  -4  -7.941 -10.075  11.471
   11    HA   GLU  -4           HA       GLU  -4 -10.647  -8.985  11.332
   12   1HB   GLU  -4          2HB       GLU  -4  -7.900  -7.930  12.079
   13   2HB   GLU  -4          3HB       GLU  -4  -9.323  -6.898  11.991
   14   1HG   GLU  -4          2HG       GLU  -4  -8.863  -7.621  14.301
   15   2HG   GLU  -4          3HG       GLU  -4 -10.455  -8.112  13.730
   16    H    PHE  -3           H        PHE  -3  -8.141  -9.412   9.057
   17    HA   PHE  -3           HA       PHE  -3  -9.554  -7.780   7.022
   18   1HB   PHE  -3          2HB       PHE  -3  -7.223  -8.264   6.550
   19   2HB   PHE  -3          3HB       PHE  -3  -7.427  -9.956   6.974
   20    HD1  PHE  -3           HD1      PHE  -3  -7.873 -11.572   5.347
   21    HD2  PHE  -3           HD2      PHE  -3  -8.545  -7.412   4.439
   22    HE1  PHE  -3           HE1      PHE  -3  -8.251 -12.149   2.961
   23    HE2  PHE  -3           HE2      PHE  -3  -8.966  -8.017   2.064
   24    HZ   PHE  -3           HZ       PHE  -3  -8.799 -10.368   1.322
   25    H    LYS  -2           H        LYS  -2 -11.243  -8.590   5.874
   26    HA   LYS  -2           HA       LYS  -2 -11.999 -11.461   6.174
   27   1HB   LYS  -2          2HB       LYS  -2 -13.242  -9.690   7.747
   28   2HB   LYS  -2          3HB       LYS  -2 -14.207  -9.428   6.289
   29   1HG   LYS  -2          2HG       LYS  -2 -14.516 -12.000   6.245
   30   2HG   LYS  -2          3HG       LYS  -2 -13.791 -12.022   7.848
   31   1HD   LYS  -2          2HD       LYS  -2 -15.573 -10.638   8.745
   32   2HD   LYS  -2          3HD       LYS  -2 -16.241 -10.340   7.134
   33   1HE   LYS  -2          2HE       LYS  -2 -16.064 -13.071   8.485
   34   2HE   LYS  -2          3HE       LYS  -2 -17.515 -12.062   8.430
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.100 -13.143   6.056
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.537 -13.713   6.641
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.425 -12.200   5.993
   38    H    ALA  -1           H        ALA  -1 -11.065  -9.601   3.973
   39    HA   ALA  -1           HA       ALA  -1 -11.123  -9.434   1.736
   40   1HB   ALA  -1          1HB       ALA  -1 -12.690 -12.028   1.757
   41   2HB   ALA  -1          2HB       ALA  -1 -11.666 -11.395   0.450
   42   3HB   ALA  -1          3HB       ALA  -1 -10.929 -11.898   1.979
   43    H    GLY   1           H        GLY   1 -12.230  -9.313  -0.256
   44   1HA   GLY   1          1HA       GLY   1 -15.108  -8.561  -0.237
   45   2HA   GLY   1          2HA       GLY   1 -13.942  -7.317  -0.711
   46    H    SER   2           H        SER   2 -13.907  -7.140  -2.885
   47    HA   SER   2           HA       SER   2 -13.644  -9.588  -4.578
   48   1HB   SER   2          2HB       SER   2 -16.021  -8.827  -4.581
   49   2HB   SER   2          3HB       SER   2 -15.471  -7.260  -5.206
   50    HG   SER   2           HG       SER   2 -15.371  -9.811  -6.396
   51    H    ALA   3           H        ALA   3 -11.985  -9.454  -5.908
   52    HA   ALA   3           HA       ALA   3 -10.159  -7.406  -5.964
   53   1HB   ALA   3          1HB       ALA   3 -10.636  -9.488  -8.137
   54   2HB   ALA   3          2HB       ALA   3  -9.139  -8.566  -7.885
   55   3HB   ALA   3          3HB       ALA   3  -9.679  -9.710  -6.647
   56    H    LYS   4           H        LYS   4 -12.970  -7.578  -8.125
   57    HA   LYS   4           HA       LYS   4 -11.976  -5.318  -9.719
   58   1HB   LYS   4          2HB       LYS   4 -13.989  -5.417 -11.004
   59   2HB   LYS   4          3HB       LYS   4 -13.326  -7.037 -10.820
   60   1HG   LYS   4          2HG       LYS   4 -15.029  -7.551  -9.084
   61   2HG   LYS   4          3HG       LYS   4 -15.680  -5.903  -9.228
   62   1HD   LYS   4          2HD       LYS   4 -16.197  -6.316 -11.624
   63   2HD   LYS   4          3HD       LYS   4 -15.572  -7.972 -11.469
   64   1HE   LYS   4          2HE       LYS   4 -17.296  -8.444  -9.734
   65   2HE   LYS   4          3HE       LYS   4 -17.924  -6.802  -9.910
   66   1HZ   LYS   4          1HZ       LYS   4 -17.877  -8.843 -12.070
   67   2HZ   LYS   4          2HZ       LYS   4 -19.209  -8.383 -11.232
   68   3HZ   LYS   4          3HZ       LYS   4 -18.464  -7.320 -12.233
   69    H    LYS   5           H        LYS   5 -13.693  -5.534  -6.919
   70    HA   LYS   5           HA       LYS   5 -14.773  -2.726  -6.910
   71   1HB   LYS   5          2HB       LYS   5 -14.854  -4.980  -4.882
   72   2HB   LYS   5          3HB       LYS   5 -15.059  -3.302  -4.398
   73   1HG   LYS   5          2HG       LYS   5 -16.876  -3.328  -6.394
   74   2HG   LYS   5          3HG       LYS   5 -16.864  -5.059  -6.031
   75   1HD   LYS   5          2HD       LYS   5 -18.600  -4.052  -4.705
   76   2HD   LYS   5          3HD       LYS   5 -17.291  -4.458  -3.588
   77   1HE   LYS   5          2HE       LYS   5 -16.910  -1.782  -4.727
   78   2HE   LYS   5          3HE       LYS   5 -18.542  -1.910  -4.065
   79   1HZ   LYS   5          1HZ       LYS   5 -16.097  -2.640  -2.524
   80   2HZ   LYS   5          2HZ       LYS   5 -16.830  -1.170  -2.412
   81   3HZ   LYS   5          3HZ       LYS   5 -17.559  -2.579  -1.939
   82    H    GLY   6           H        GLY   6 -12.313  -4.656  -5.166
   83   1HA   GLY   6          1HA       GLY   6 -10.826  -2.594  -3.978
   84   2HA   GLY   6          2HA       GLY   6 -10.130  -4.070  -4.661
   85    H    ALA   7           H        ALA   7 -10.367  -3.865  -7.333
   86    HA   ALA   7           HA       ALA   7  -8.433  -2.045  -8.179
   87   1HB   ALA   7          1HB       ALA   7 -10.675  -3.298  -9.832
   88   2HB   ALA   7          2HB       ALA   7  -9.154  -2.635 -10.457
   89   3HB   ALA   7          3HB       ALA   7  -9.128  -4.067  -9.426
   90    H    THR   8           H        THR   8 -11.998  -1.600  -8.397
   91    HA   THR   8           HA       THR   8 -11.768   0.993  -9.718
   92    HB   THR   8           HB       THR   8 -14.271   1.135  -9.161
   93    HG1  THR   8           1HG      THR   8 -13.913  -1.648  -8.800
   94   1HG2  THR   8          1HG2      THR   8 -13.225  -1.175 -10.865
   95   2HG2  THR   8          2HG2      THR   8 -14.846  -0.451 -10.962
   96   3HG2  THR   8          3HG2      THR   8 -13.424   0.513 -11.390
   97    H    LEU   9           H        LEU   9 -11.992   0.003  -6.364
   98    HA   LEU   9           HA       LEU   9 -12.322   2.664  -5.252
   99   1HB   LEU   9          2HB       LEU   9 -11.327   0.014  -4.162
  100   2HB   LEU   9          3HB       LEU   9 -11.167   1.490  -3.210
  101    HG   LEU   9           HG       LEU   9 -13.810   0.670  -4.380
  102   1HD1  LEU   9          1HD1      LEU   9 -12.617  -0.107  -1.670
  103   2HD1  LEU   9          2HD1      LEU   9 -14.316  -0.353  -2.132
  104   3HD1  LEU   9          3HD1      LEU   9 -13.034  -1.197  -3.008
  105   1HD2  LEU   9          1HD2      LEU   9 -13.641   2.997  -3.517
  106   2HD2  LEU   9          2HD2      LEU   9 -14.733   2.023  -2.527
  107   3HD2  LEU   9          3HD2      LEU   9 -13.090   2.367  -1.945
  108    H    PHE  10           H        PHE  10  -9.515   0.509  -5.517
  109    HA   PHE  10           HA       PHE  10  -7.401   2.206  -4.861
  110   1HB   PHE  10          2HB       PHE  10  -7.010  -0.118  -5.287
  111   2HB   PHE  10          3HB       PHE  10  -7.567   0.008  -6.947
  112    HD1  PHE  10           HD1      PHE  10  -6.185   0.943  -8.712
  113    HD2  PHE  10           HD2      PHE  10  -4.732   0.678  -4.665
  114    HE1  PHE  10           HE1      PHE  10  -3.932   1.662  -9.459
  115    HE2  PHE  10           HE2      PHE  10  -2.487   1.429  -5.424
  116    HZ   PHE  10           HZ       PHE  10  -2.119   2.025  -7.804
  117    H    LYS  11           H        LYS  11  -9.156   2.173  -8.035
  118    HA   LYS  11           HA       LYS  11  -7.319   3.769  -9.459
  119   1HB   LYS  11          2HB       LYS  11 -10.000   2.521  -9.729
  120   2HB   LYS  11          3HB       LYS  11  -9.824   3.983 -10.628
  121   1HG   LYS  11          2HG       LYS  11  -7.845   3.133 -11.790
  122   2HG   LYS  11          3HG       LYS  11  -7.769   1.728 -10.710
  123   1HD   LYS  11          2HD       LYS  11  -9.957   0.952 -11.637
  124   2HD   LYS  11          3HD       LYS  11  -9.922   2.281 -12.801
  125   1HE   LYS  11          2HE       LYS  11  -7.798   0.095 -12.507
  126   2HE   LYS  11          3HE       LYS  11  -9.093   0.072 -13.704
  127   1HZ   LYS  11          1HZ       LYS  11  -6.962   2.131 -13.555
  128   2HZ   LYS  11          2HZ       LYS  11  -7.007   0.912 -14.636
  129   3HZ   LYS  11          3HZ       LYS  11  -8.157   2.091 -14.679
  130    H    THR  12           H        THR  12  -9.667   4.807  -7.102
  131    HA   THR  12           HA       THR  12  -8.705   7.601  -7.604
  132    HB   THR  12           HB       THR  12 -10.833   8.433  -6.719
  133    HG1  THR  12           1HG      THR  12 -12.567   6.806  -6.793
  134   1HG2  THR  12          1HG2      THR  12 -11.312   6.583  -9.093
  135   2HG2  THR  12          2HG2      THR  12 -12.235   8.039  -8.665
  136   3HG2  THR  12          3HG2      THR  12 -10.550   8.185  -9.192
  137    H    ARG  13           H        ARG  13  -8.987   5.099  -5.285
  138    HA   ARG  13           HA       ARG  13  -8.438   6.924  -3.078
  139   1HB   ARG  13          2HB       ARG  13  -8.277   3.873  -3.302
  140   2HB   ARG  13          3HB       ARG  13  -8.003   4.733  -1.799
  141   1HG   ARG  13          2HG       ARG  13 -10.651   4.792  -3.321
  142   2HG   ARG  13          3HG       ARG  13 -10.245   3.682  -2.009
  143   1HD   ARG  13          2HD       ARG  13  -9.724   5.859  -0.649
  144   2HD   ARG  13          3HD       ARG  13 -10.649   6.669  -1.911
  145    HE   ARG  13           HE       ARG  13 -11.788   4.387  -0.299
  146   1HH1  ARG  13          1HH2      ARG  13 -12.249   7.648  -1.492
  147   2HH1  ARG  13          2HH2      ARG  13 -13.829   7.772  -0.766
  148   1HH2  ARG  13          1HH1      ARG  13 -13.781   4.625   0.627
  149   2HH2  ARG  13          2HH1      ARG  13 -14.692   6.085   0.271
  150    H    CYS  14           H        CYS  14  -6.383   5.007  -5.226
  151    HA   CYS  14           HA       CYS  14  -3.987   5.928  -3.656
  152   1HB   CYS  14          2HB       CYS  14  -4.269   3.282  -4.980
  153   2HB   CYS  14          3HB       CYS  14  -3.064   3.742  -3.789
  154    H    LEU  15           H        LEU  15  -5.143   4.780  -6.881
  155    HA   LEU  15           HA       LEU  15  -2.801   4.783  -8.314
  156   1HB   LEU  15          2HB       LEU  15  -4.994   3.994  -9.084
  157   2HB   LEU  15          3HB       LEU  15  -5.550   5.660  -9.217
  158    HG   LEU  15           HG       LEU  15  -3.834   6.073 -10.977
  159   1HD1  LEU  15          1HD1      LEU  15  -3.417   3.055 -11.024
  160   2HD1  LEU  15          2HD1      LEU  15  -2.731   4.249 -12.129
  161   3HD1  LEU  15          3HD1      LEU  15  -2.221   4.234 -10.444
  162   1HD2  LEU  15          1HD2      LEU  15  -6.169   5.450 -11.525
  163   2HD2  LEU  15          2HD2      LEU  15  -5.013   4.879 -12.746
  164   3HD2  LEU  15          3HD2      LEU  15  -5.676   3.735 -11.554
  165    H    GLN  16           H        GLN  16  -4.550   7.637  -7.349
  166    HA   GLN  16           HA       GLN  16  -3.322   9.719  -8.755
  167   1HB   GLN  16          2HB       GLN  16  -3.602  11.041  -6.647
  168   2HB   GLN  16          3HB       GLN  16  -5.049  10.262  -7.277
  169   1HG   GLN  16          2HG       GLN  16  -4.965   8.529  -5.556
  170   2HG   GLN  16          3HG       GLN  16  -3.392   9.123  -5.010
  171   1HE2  GLN  16          2HE2      GLN  16  -6.916   9.598  -4.669
  172   2HE2  GLN  16          1HE2      GLN  16  -6.631  10.962  -3.567
  173    H    CYS  17           H        CYS  17  -1.842   7.789  -6.089
  174    HA   CYS  17           HA       CYS  17   0.761   9.179  -6.615
  175   1HB   CYS  17          2HB       CYS  17  -0.215   7.721  -4.161
  176   2HB   CYS  17          3HB       CYS  17   1.425   8.327  -4.407
  177    H    HIS  18           H        HIS  18  -0.812   5.937  -6.312
  178    HA   HIS  18           HA       HIS  18   1.856   4.646  -6.644
  179   1HB   HIS  18          1HB       HIS  18  -0.869   3.880  -5.576
  180   2HB   HIS  18          2HB       HIS  18   0.221   2.628  -6.104
  181    HD1  HIS  18           HD1      HIS  18   2.623   2.463  -4.785
  182    HD2  HIS  18           HD2      HIS  18  -0.265   5.114  -3.278
  183    HE1  HIS  18           HE1      HIS  18   3.355   3.056  -2.418
  184    H    THR  19           H        THR  19   2.069   2.654  -7.874
  185    HA   THR  19           HA       THR  19   0.082   2.144 -10.010
  186    HB   THR  19           HB       THR  19   1.749   1.514 -11.623
  187    HG1  THR  19           1HG      THR  19   3.742   2.801 -10.109
  188   1HG2  THR  19          1HG2      THR  19   2.292   4.375 -10.734
  189   2HG2  THR  19          2HG2      THR  19   2.475   3.682 -12.363
  190   3HG2  THR  19          3HG2      THR  19   0.864   3.843 -11.653
  191    H    VAL  20           H        VAL  20   0.049  -0.073 -10.699
  192    HA   VAL  20           HA       VAL  20   1.252  -2.045  -8.826
  193    HB   VAL  20           HB       VAL  20  -1.633  -2.400  -9.556
  194   1HG1  VAL  20          1HG1      VAL  20  -0.046  -3.040  -7.021
  195   2HG1  VAL  20          2HG1      VAL  20  -1.691  -3.580  -7.409
  196   3HG1  VAL  20          3HG1      VAL  20  -0.310  -4.168  -8.348
  197   1HG2  VAL  20          1HG2      VAL  20  -1.772  -0.191  -8.689
  198   2HG2  VAL  20          2HG2      VAL  20  -2.400  -1.312  -7.481
  199   3HG2  VAL  20          3HG2      VAL  20  -0.779  -0.604  -7.266
  200    H    GLU  21           H        GLU  21   1.745  -1.277 -11.613
  201    HA   GLU  21           HA       GLU  21   0.880  -3.739 -13.082
  202   1HB   GLU  21          2HB       GLU  21   1.307  -1.078 -14.393
  203   2HB   GLU  21          3HB       GLU  21   0.467  -2.486 -15.019
  204   1HG   GLU  21          2HG       GLU  21  -1.335  -2.205 -13.317
  205   2HG   GLU  21          3HG       GLU  21  -0.530  -0.776 -12.677
  206    H    LYS  22           H        LYS  22   2.255  -4.383 -14.834
  207    HA   LYS  22           HA       LYS  22   4.789  -4.761 -13.561
  208   1HB   LYS  22          2HB       LYS  22   3.322  -6.538 -14.434
  209   2HB   LYS  22          3HB       LYS  22   3.877  -6.140 -16.075
  210   1HG   LYS  22          2HG       LYS  22   6.123  -6.755 -15.566
  211   2HG   LYS  22          3HG       LYS  22   5.883  -6.626 -13.824
  212   1HD   LYS  22          2HD       LYS  22   4.434  -8.570 -13.787
  213   2HD   LYS  22          3HD       LYS  22   4.555  -8.715 -15.558
  214   1HE   LYS  22          2HE       LYS  22   7.021  -9.038 -15.345
  215   2HE   LYS  22          3HE       LYS  22   6.922  -8.752 -13.605
  216   1HZ   LYS  22          1HZ       LYS  22   5.723 -11.061 -15.029
  217   2HZ   LYS  22          2HZ       LYS  22   7.035 -11.105 -14.037
  218   3HZ   LYS  22          3HZ       LYS  22   5.556 -10.759 -13.416
  219    H    GLY  23           H        GLY  23   5.490  -2.672 -13.807
  220   1HA   GLY  23          1HA       GLY  23   7.865  -2.094 -14.888
  221   2HA   GLY  23          2HA       GLY  23   6.871  -1.899 -16.332
  222    H    GLY  24           H        GLY  24   5.035  -0.936 -13.575
  223   1HA   GLY  24          1HA       GLY  24   4.803   1.719 -14.463
  224   2HA   GLY  24          2HA       GLY  24   4.315   1.114 -12.877
  225    HA   PRO  25           HA       PRO  25   8.278   3.774 -12.549
  226   1HB   PRO  25          2HB       PRO  25   7.459   6.379 -12.433
  227   2HB   PRO  25          3HB       PRO  25   7.745   5.533 -13.985
  228   1HG   PRO  25          2HG       PRO  25   5.095   5.911 -12.539
  229   2HG   PRO  25          3HG       PRO  25   5.476   6.280 -14.253
  230   1HD   PRO  25          2HD       PRO  25   4.310   3.929 -13.535
  231   2HD   PRO  25          3HD       PRO  25   5.540   3.985 -14.830
  232    H    HIS  26           H        HIS  26   9.074   4.652 -10.606
  233    HA   HIS  26           HA       HIS  26   7.392   4.699  -8.204
  234   1HB   HIS  26          2HB       HIS  26  10.257   5.620  -8.609
  235   2HB   HIS  26          3HB       HIS  26   9.398   5.518  -7.069
  236    HD1  HIS  26           HD1      HIS  26   8.576   2.792  -6.503
  237    HD2  HIS  26           HD2      HIS  26  11.938   3.683  -8.844
  238    HE1  HIS  26           HE1      HIS  26   9.935   0.641  -6.635
  239    H    LYS  27           H        LYS  27   5.817   6.122  -8.903
  240    HA   LYS  27           HA       LYS  27   6.115   9.021  -9.208
  241   1HB   LYS  27          2HB       LYS  27   3.987   6.969  -8.695
  242   2HB   LYS  27          3HB       LYS  27   3.689   8.504  -7.936
  243   1HG   LYS  27          2HG       LYS  27   3.776   9.644 -10.141
  244   2HG   LYS  27          3HG       LYS  27   3.882   8.031 -10.905
  245   1HD   LYS  27          2HD       LYS  27   1.821   7.341  -9.655
  246   2HD   LYS  27          3HD       LYS  27   1.734   8.953  -8.925
  247   1HE   LYS  27          2HE       LYS  27   1.359   9.926 -11.182
  248   2HE   LYS  27          3HE       LYS  27   1.335   8.281 -11.854
  249   1HZ   LYS  27          1HZ       LYS  27  -0.506   9.362  -9.771
  250   2HZ   LYS  27          2HZ       LYS  27  -0.932   8.975 -11.314
  251   3HZ   LYS  27          3HZ       LYS  27  -0.536   7.818 -10.225
  252    H    VAL  28           H        VAL  28   4.695  10.155  -7.198
  253    HA   VAL  28           HA       VAL  28   6.037  10.244  -4.689
  254    HB   VAL  28           HB       VAL  28   3.021  10.440  -5.082
  255   1HG1  VAL  28          1HG1      VAL  28   4.902  11.792  -3.091
  256   2HG1  VAL  28          2HG1      VAL  28   3.144  12.016  -3.186
  257   3HG1  VAL  28          3HG1      VAL  28   3.807  10.452  -2.713
  258   1HG2  VAL  28          1HG2      VAL  28   4.003  11.953  -6.727
  259   2HG2  VAL  28          2HG2      VAL  28   3.377  12.895  -5.382
  260   3HG2  VAL  28          3HG2      VAL  28   5.122  12.604  -5.508
  261    H    GLY  29           H        GLY  29   3.736   7.833  -5.961
  262   1HA   GLY  29          1HA       GLY  29   4.143   6.168  -3.534
  263   2HA   GLY  29          2HA       GLY  29   2.773   6.037  -4.624
  264    HA   PRO  30           HA       PRO  30   6.732   3.873  -6.424
  265   1HB   PRO  30          2HB       PRO  30   7.267   1.625  -4.890
  266   2HB   PRO  30          3HB       PRO  30   7.999   3.233  -4.617
  267   1HG   PRO  30          2HG       PRO  30   5.522   2.079  -3.277
  268   2HG   PRO  30          3HG       PRO  30   6.967   2.790  -2.483
  269   1HD   PRO  30          2HD       PRO  30   4.855   4.336  -2.850
  270   2HD   PRO  30          3HD       PRO  30   6.449   4.970  -3.262
  271    H    ASN  31           H        ASN  31   6.928   1.634  -7.390
  272    HA   ASN  31           HA       ASN  31   4.694   0.253  -8.446
  273   1HB   ASN  31          2HB       ASN  31   7.615  -0.235  -7.889
  274   2HB   ASN  31          3HB       ASN  31   6.644  -1.679  -7.897
  275   1HD2  ASN  31          2HD2      ASN  31   8.673  -0.186  -9.892
  276   2HD2  ASN  31          1HD2      ASN  31   7.677  -0.173 -11.338
  277    H    LEU  32           H        LEU  32   3.179  -0.989  -7.486
  278    HA   LEU  32           HA       LEU  32   3.745  -2.234  -4.827
  279   1HB   LEU  32          2HB       LEU  32   1.125  -1.390  -6.098
  280   2HB   LEU  32          3HB       LEU  32   1.269  -2.264  -4.578
  281    HG   LEU  32           HG       LEU  32   2.203   0.561  -5.097
  282   1HD1  LEU  32          1HD1      LEU  32  -0.025  -0.642  -3.382
  283   2HD1  LEU  32          2HD1      LEU  32   0.368   1.076  -3.455
  284   3HD1  LEU  32          3HD1      LEU  32  -0.253   0.252  -4.899
  285   1HD2  LEU  32          1HD2      LEU  32   3.705  -0.448  -3.447
  286   2HD2  LEU  32          2HD2      LEU  32   2.564   0.597  -2.593
  287   3HD2  LEU  32          3HD2      LEU  32   2.326  -1.158  -2.574
  288    H    HIS  33           H        HIS  33   3.503  -3.449  -8.018
  289    HA   HIS  33           HA       HIS  33   2.028  -5.920  -7.279
  290   1HB   HIS  33          2HB       HIS  33   2.437  -6.657  -9.443
  291   2HB   HIS  33          3HB       HIS  33   1.922  -4.990  -9.561
  292    HD1  HIS  33           HD1      HIS  33   4.004  -3.183 -10.414
  293    HD2  HIS  33           HD2      HIS  33   4.724  -7.343 -10.398
  294    HE1  HIS  33           HE1      HIS  33   6.089  -3.528 -11.718
  295    H    GLY  34           H        GLY  34   2.963  -6.985  -5.713
  296   1HA   GLY  34          1HA       GLY  34   4.662  -8.847  -5.450
  297   2HA   GLY  34          2HA       GLY  34   5.889  -7.724  -5.960
  298    H    ILE  35           H        ILE  35   3.988  -5.989  -3.756
  299    HA   ILE  35           HA       ILE  35   6.105  -5.925  -1.903
  300    HB   ILE  35           HB       ILE  35   4.753  -4.540  -0.518
  301   1HG1  ILE  35          2HG1      ILE  35   2.625  -5.759  -0.466
  302   2HG1  ILE  35          3HG1      ILE  35   2.505  -4.031  -0.697
  303   1HG2  ILE  35          1HG2      ILE  35   4.129  -3.904  -3.417
  304   2HG2  ILE  35          2HG2      ILE  35   4.204  -2.754  -2.066
  305   3HG2  ILE  35          3HG2      ILE  35   5.664  -3.580  -2.639
  306   1HD1  ILE  35          1HD1      ILE  35   2.195  -5.963  -3.020
  307   2HD1  ILE  35          2HD1      ILE  35   0.863  -5.380  -2.049
  308   3HD1  ILE  35          3HD1      ILE  35   1.816  -4.213  -2.940
  309    H    PHE  36           H        PHE  36   3.415  -8.113  -1.864
  310    HA   PHE  36           HA       PHE  36   3.330  -8.684   0.930
  311   1HB   PHE  36          2HB       PHE  36   2.306 -10.183  -1.507
  312   2HB   PHE  36          3HB       PHE  36   2.025 -10.700   0.150
  313    HD1  PHE  36           HD1      PHE  36   0.827  -9.121   1.778
  314    HD2  PHE  36           HD2      PHE  36   0.840  -8.536  -2.498
  315    HE1  PHE  36           HE1      PHE  36  -1.133  -7.605   1.974
  316    HE2  PHE  36           HE2      PHE  36  -1.105  -7.027  -2.290
  317    HZ   PHE  36           HZ       PHE  36  -2.115  -6.567  -0.054
  318    H    GLY  37           H        GLY  37   4.386  -9.998   2.080
  319   1HA   GLY  37          1HA       GLY  37   6.049 -11.598   2.773
  320   2HA   GLY  37          2HA       GLY  37   6.167 -12.155   1.102
  321    H    ARG  38           H        ARG  38   6.564  -8.751   1.371
  322    HA   ARG  38           HA       ARG  38   9.511  -8.909   1.818
  323   1HB   ARG  38          2HB       ARG  38   8.235  -8.066  -0.578
  324   2HB   ARG  38          3HB       ARG  38   8.576  -6.587   0.278
  325   1HG   ARG  38          2HG       ARG  38  10.438  -7.015  -1.169
  326   2HG   ARG  38          3HG       ARG  38  11.000  -7.347   0.484
  327   1HD   ARG  38          2HD       ARG  38  10.462  -9.784   0.098
  328   2HD   ARG  38          3HD       ARG  38  10.024  -9.384  -1.570
  329    HE   ARG  38           HE       ARG  38  12.640  -8.414  -1.183
  330   1HH1  ARG  38          1HH2      ARG  38  11.044 -11.503  -1.209
  331   2HH1  ARG  38          2HH2      ARG  38  12.414 -12.356  -1.863
  332   1HH2  ARG  38          1HH1      ARG  38  14.384  -9.516  -2.077
  333   2HH2  ARG  38          2HH1      ARG  38  14.290 -11.230  -2.330
  334    H    HIS  39           H        HIS  39  10.330  -6.671   2.329
  335    HA   HIS  39           HA       HIS  39   8.888  -5.899   4.818
  336   1HB   HIS  39          2HB       HIS  39  11.820  -5.549   4.105
  337   2HB   HIS  39          3HB       HIS  39  11.065  -5.203   5.663
  338    HD1  HIS  39           HD1      HIS  39  12.818  -7.956   3.944
  339    HD2  HIS  39           HD2      HIS  39   9.790  -7.509   6.837
  340    HE1  HIS  39           HE1      HIS  39  12.550 -10.243   5.096
  341    H    SER  40           H        SER  40   8.167  -3.859   5.102
  342    HA   SER  40           HA       SER  40   7.753  -1.969   3.219
  343   1HB   SER  40          2HB       SER  40   7.506  -0.332   5.087
  344   2HB   SER  40          3HB       SER  40   6.737  -1.902   5.414
  345    HG   SER  40           HG       SER  40   9.333  -1.150   6.232
  346    H    GLY  41           H        GLY  41   8.891  -0.713   1.951
  347   1HA   GLY  41          1HA       GLY  41  10.470   1.076   1.510
  348   2HA   GLY  41          2HA       GLY  41  11.471   0.537   2.843
  349    H    GLN  42           H        GLN  42  10.172  -0.766  -0.232
  350    HA   GLN  42           HA       GLN  42  12.256  -2.805  -0.245
  351   1HB   GLN  42          2HB       GLN  42   9.881  -2.248  -2.065
  352   2HB   GLN  42          3HB       GLN  42  10.861  -3.719  -2.120
  353   1HG   GLN  42          2HG       GLN  42  10.195  -4.361   0.109
  354   2HG   GLN  42          3HG       GLN  42   9.386  -2.812   0.388
  355   1HE2  GLN  42          2HE2      GLN  42   7.250  -2.769   0.034
  356   2HE2  GLN  42          1HE2      GLN  42   6.418  -3.982  -0.967
  357    H    ALA  43           H        ALA  43  12.117   0.182  -1.942
  358    HA   ALA  43           HA       ALA  43  13.049  -0.904  -4.481
  359   1HB   ALA  43          1HB       ALA  43  12.661   1.977  -3.699
  360   2HB   ALA  43          2HB       ALA  43  12.725   1.311  -5.340
  361   3HB   ALA  43          3HB       ALA  43  11.349   0.912  -4.288
  362    H    GLU  44           H        GLU  44  15.108  -1.683  -4.210
  363    HA   GLU  44           HA       GLU  44  17.421  -0.515  -3.243
  364   1HB   GLU  44          2HB       GLU  44  16.985  -2.282  -5.678
  365   2HB   GLU  44          3HB       GLU  44  18.577  -1.958  -4.975
  366   1HG   GLU  44          2HG       GLU  44  18.011  -3.028  -2.903
  367   2HG   GLU  44          3HG       GLU  44  16.302  -3.118  -3.320
  368    H    GLY  45           H        GLY  45  15.686   0.784  -5.824
  369   1HA   GLY  45          1HA       GLY  45  17.952   2.561  -6.682
  370   2HA   GLY  45          2HA       GLY  45  16.711   2.000  -7.792
  371    H    TYR  46           H        TYR  46  15.507   2.923  -4.599
  372    HA   TYR  46           HA       TYR  46  15.004   5.727  -5.432
  373   1HB   TYR  46          2HB       TYR  46  13.245   4.352  -6.512
  374   2HB   TYR  46          3HB       TYR  46  12.703   3.850  -4.924
  375    HD1  TYR  46           HD1      TYR  46  12.445   6.392  -7.480
  376    HD2  TYR  46           HD2      TYR  46  11.935   5.647  -3.290
  377    HE1  TYR  46           HE1      TYR  46  10.716   8.200  -7.366
  378    HE2  TYR  46           HE2      TYR  46  10.206   7.449  -3.163
  379    HH   TYR  46           HH       TYR  46   8.548   8.549  -5.713
  380    H    SER  47           H        SER  47  15.238   7.017  -3.730
  381    HA   SER  47           HA       SER  47  15.609   5.990  -1.067
  382   1HB   SER  47          2HB       SER  47  15.540   8.862  -2.057
  383   2HB   SER  47          3HB       SER  47  16.176   8.295  -0.497
  384    HG   SER  47           HG       SER  47  17.844   8.482  -2.043
  385    H    TYR  48           H        TYR  48  13.812   5.293  -0.003
  386    HA   TYR  48           HA       TYR  48  11.333   6.696   0.099
  387   1HB   TYR  48          2HB       TYR  48  12.462   4.343   1.604
  388   2HB   TYR  48          3HB       TYR  48  10.897   5.024   2.011
  389    HD1  TYR  48           HD1      TYR  48   9.360   3.520   1.553
  390    HD2  TYR  48           HD2      TYR  48  12.205   4.483  -1.513
  391    HE1  TYR  48           HE1      TYR  48   8.272   1.925   0.062
  392    HE2  TYR  48           HE2      TYR  48  10.960   3.027  -3.088
  393    HH   TYR  48           HH       TYR  48   8.650   0.662  -1.820
  394    H    THR  49           H        THR  49  11.733   5.926   3.298
  395    HA   THR  49           HA       THR  49  12.983   8.397   4.277
  396    HB   THR  49           HB       THR  49  11.101   8.381   6.109
  397    HG1  THR  49           1HG      THR  49   9.695   7.363   3.865
  398   1HG2  THR  49          1HG2      THR  49  10.597   9.551   3.371
  399   2HG2  THR  49          2HG2      THR  49   9.784  10.035   4.880
  400   3HG2  THR  49          3HG2      THR  49  11.528  10.296   4.683
  401    H    ASP  50           H        ASP  50  13.977   8.131   6.166
  402    HA   ASP  50           HA       ASP  50  15.043   5.814   7.173
  403   1HB   ASP  50          2HB       ASP  50  15.816   8.006   7.776
  404   2HB   ASP  50          3HB       ASP  50  14.254   8.458   8.459
  405    H    ALA  51           H        ALA  51  12.162   7.402   8.564
  406    HA   ALA  51           HA       ALA  51  11.496   5.404  10.410
  407   1HB   ALA  51          1HB       ALA  51   9.664   7.422   9.036
  408   2HB   ALA  51          2HB       ALA  51   9.392   6.626  10.605
  409   3HB   ALA  51          3HB       ALA  51  10.724   7.768  10.422
  410    H    ASN  52           H        ASN  52  10.564   5.535   6.961
  411    HA   ASN  52           HA       ASN  52   8.543   3.421   7.176
  412   1HB   ASN  52          2HB       ASN  52   8.303   5.077   5.391
  413   2HB   ASN  52          3HB       ASN  52   9.959   4.768   4.847
  414   1HD2  ASN  52          2HD2      ASN  52   6.635   3.625   4.489
  415   2HD2  ASN  52          1HD2      ASN  52   7.208   2.371   3.366
  416    H    ILE  53           H        ILE  53  11.924   3.643   6.169
  417    HA   ILE  53           HA       ILE  53  12.260   0.904   5.429
  418    HB   ILE  53           HB       ILE  53  14.186   3.043   6.353
  419   1HG1  ILE  53          2HG1      ILE  53  13.839   1.906   3.538
  420   2HG1  ILE  53          3HG1      ILE  53  12.883   3.262   4.113
  421   1HG2  ILE  53          1HG2      ILE  53  14.898   0.314   5.187
  422   2HG2  ILE  53          2HG2      ILE  53  16.050   1.644   5.402
  423   3HG2  ILE  53          3HG2      ILE  53  15.308   0.904   6.814
  424   1HD1  ILE  53          1HD1      ILE  53  15.908   3.241   3.817
  425   2HD1  ILE  53          2HD1      ILE  53  14.725   4.135   2.851
  426   3HD1  ILE  53          3HD1      ILE  53  14.967   4.560   4.557
  427    H    LYS  54           H        LYS  54  13.324   2.519   8.437
  428    HA   LYS  54           HA       LYS  54  13.889   0.042   9.837
  429   1HB   LYS  54          2HB       LYS  54  13.268   2.807  10.926
  430   2HB   LYS  54          3HB       LYS  54  13.957   1.472  11.865
  431   1HG   LYS  54          2HG       LYS  54  15.928   1.413  10.312
  432   2HG   LYS  54          3HG       LYS  54  15.294   2.846   9.495
  433   1HD   LYS  54          2HD       LYS  54  16.253   2.644  12.380
  434   2HD   LYS  54          3HD       LYS  54  16.961   3.566  11.036
  435   1HE   LYS  54          2HE       LYS  54  14.566   4.673  10.928
  436   2HE   LYS  54          3HE       LYS  54  14.416   4.118  12.603
  437   1HZ   LYS  54          1HZ       LYS  54  16.526   5.837  11.456
  438   2HZ   LYS  54          2HZ       LYS  54  15.286   6.402  12.202
  439   3HZ   LYS  54          3HZ       LYS  54  16.407   5.499  13.099
  440    H    LYS  55           H        LYS  55  10.957   1.059   8.854
  441    HA   LYS  55           HA       LYS  55   9.318   0.184  11.162
  442   1HB   LYS  55          2HB       LYS  55   8.667   1.648   9.014
  443   2HB   LYS  55          3HB       LYS  55   8.345   0.091   8.303
  444   1HG   LYS  55          2HG       LYS  55   6.958   1.397  10.661
  445   2HG   LYS  55          3HG       LYS  55   6.341   1.084   9.039
  446   1HD   LYS  55          2HD       LYS  55   5.319  -0.675   9.870
  447   2HD   LYS  55          3HD       LYS  55   6.882  -1.449   9.754
  448   1HE   LYS  55          2HE       LYS  55   6.195  -1.890  11.979
  449   2HE   LYS  55          3HE       LYS  55   7.322  -0.545  12.150
  450   1HZ   LYS  55          1HZ       LYS  55   4.353  -0.380  12.102
  451   2HZ   LYS  55          2HZ       LYS  55   5.320  -0.078  13.396
  452   3HZ   LYS  55          3HZ       LYS  55   5.300   0.948  12.102
  453    H    ASN  56           H        ASN  56  10.820  -1.222   8.327
  454    HA   ASN  56           HA       ASN  56  10.695  -3.247   7.305
  455   1HB   ASN  56          2HB       ASN  56  11.910  -3.789  10.037
  456   2HB   ASN  56          3HB       ASN  56  12.058  -4.885   8.667
  457   1HD2  ASN  56          2HD2      ASN  56  12.741  -3.453   6.452
  458   2HD2  ASN  56          1HD2      ASN  56  14.071  -2.398   6.917
  459    H    VAL  57           H        VAL  57   8.105  -2.870   7.993
  460    HA   VAL  57           HA       VAL  57   7.010  -5.335   9.188
  461    HB   VAL  57           HB       VAL  57   5.854  -2.867   7.993
  462   1HG1  VAL  57          1HG1      VAL  57   4.251  -5.457   7.988
  463   2HG1  VAL  57          2HG1      VAL  57   3.591  -3.815   7.811
  464   3HG1  VAL  57          3HG1      VAL  57   4.647  -4.457   6.568
  465   1HG2  VAL  57          1HG2      VAL  57   6.099  -3.469  10.474
  466   2HG2  VAL  57          2HG2      VAL  57   4.452  -3.007   9.960
  467   3HG2  VAL  57          3HG2      VAL  57   4.869  -4.709  10.217
  468    H    LEU  58           H        LEU  58   7.177  -7.174   8.306
  469    HA   LEU  58           HA       LEU  58   7.381  -7.735   5.473
  470   1HB   LEU  58          2HB       LEU  58   8.135  -9.326   7.172
  471   2HB   LEU  58          3HB       LEU  58   6.490  -9.526   7.771
  472    HG   LEU  58           HG       LEU  58   6.958  -9.963   4.816
  473   1HD1  LEU  58          1HD1      LEU  58   7.771 -12.009   6.910
  474   2HD1  LEU  58          2HD1      LEU  58   7.720 -12.253   5.146
  475   3HD1  LEU  58          3HD1      LEU  58   8.878 -11.113   5.846
  476   1HD2  LEU  58          1HD2      LEU  58   4.671 -10.290   5.723
  477   2HD2  LEU  58          2HD2      LEU  58   5.343 -11.817   5.168
  478   3HD2  LEU  58          3HD2      LEU  58   5.299 -11.455   6.905
  479    H    TRP  59           H        TRP  59   5.817  -7.010   4.171
  480    HA   TRP  59           HA       TRP  59   3.186  -6.389   5.039
  481   1HB   TRP  59          2HB       TRP  59   4.236  -6.813   2.240
  482   2HB   TRP  59          3HB       TRP  59   2.651  -6.159   2.605
  483    HD1  TRP  59           HD1      TRP  59   5.956  -5.001   1.690
  484    HE1  TRP  59           HE1      TRP  59   6.174  -2.469   2.031
  485    HE3  TRP  59           HE3      TRP  59   2.024  -4.244   4.912
  486    HZ2  TRP  59           HZ2      TRP  59   5.066  -0.483   3.746
  487    HZ3  TRP  59           HZ3      TRP  59   1.665  -2.028   5.939
  488    HH2  TRP  59           HH2      TRP  59   3.188  -0.124   5.387
  489    H    ASP  60           H        ASP  60   1.682  -7.535   5.579
  490    HA   ASP  60           HA       ASP  60   0.774 -10.014   4.207
  491   1HB   ASP  60          2HB       ASP  60   1.434 -10.652   6.442
  492   2HB   ASP  60          3HB       ASP  60   0.684  -9.208   7.141
  493    H    GLU  61           H        GLU  61  -1.630 -10.190   4.411
  494    HA   GLU  61           HA       GLU  61  -3.079  -7.997   3.260
  495   1HB   GLU  61          2HB       GLU  61  -4.007 -10.511   4.722
  496   2HB   GLU  61          3HB       GLU  61  -5.101  -9.359   3.957
  497   1HG   GLU  61          2HG       GLU  61  -3.693  -9.684   1.806
  498   2HG   GLU  61          3HG       GLU  61  -2.979 -11.072   2.609
  499    H    ASN  62           H        ASN  62  -3.000  -9.136   6.681
  500    HA   ASN  62           HA       ASN  62  -4.767  -7.065   7.654
  501   1HB   ASN  62          2HB       ASN  62  -2.843  -8.918   9.142
  502   2HB   ASN  62          3HB       ASN  62  -4.172  -8.002   9.828
  503   1HD2  ASN  62          2HD2      ASN  62  -3.351 -10.732   7.724
  504   2HD2  ASN  62          1HD2      ASN  62  -4.976 -11.455   7.796
  505    H    ASN  63           H        ASN  63  -1.221  -7.576   7.765
  506    HA   ASN  63           HA       ASN  63  -0.595  -5.243   9.285
  507   1HB   ASN  63          2HB       ASN  63   0.979  -6.708   7.087
  508   2HB   ASN  63          3HB       ASN  63   1.660  -5.358   7.993
  509   1HD2  ASN  63          2HD2      ASN  63   3.056  -7.800   8.008
  510   2HD2  ASN  63          1HD2      ASN  63   2.788  -8.411   9.629
  511    H    MET  64           H        MET  64  -0.883  -5.541   5.715
  512    HA   MET  64           HA       MET  64  -0.345  -2.715   5.250
  513   1HB   MET  64          2HB       MET  64  -0.074  -4.489   3.518
  514   2HB   MET  64          3HB       MET  64  -1.824  -4.707   3.509
  515   1HG   MET  64          2HG       MET  64  -2.029  -2.215   2.953
  516   2HG   MET  64          3HG       MET  64  -0.278  -2.186   2.775
  517   1HE   MET  64          1HE       MET  64   0.072  -5.184   1.370
  518   2HE   MET  64          2HE       MET  64   0.198  -4.569  -0.278
  519   3HE   MET  64          3HE       MET  64   0.996  -3.695   1.053
  520    H    SER  65           H        SER  65  -3.370  -4.636   5.545
  521    HA   SER  65           HA       SER  65  -5.255  -2.640   5.125
  522   1HB   SER  65          2HB       SER  65  -5.698  -5.045   5.508
  523   2HB   SER  65          3HB       SER  65  -5.351  -4.837   7.229
  524    HG   SER  65           HG       SER  65  -7.574  -4.778   6.722
  525    H    GLU  66           H        GLU  66  -3.517  -3.236   8.267
  526    HA   GLU  66           HA       GLU  66  -4.809  -0.951   9.496
  527   1HB   GLU  66          2HB       GLU  66  -3.644  -3.206  10.483
  528   2HB   GLU  66          3HB       GLU  66  -2.296  -2.119  10.649
  529   1HG   GLU  66          2HG       GLU  66  -3.706  -2.206  12.708
  530   2HG   GLU  66          3HG       GLU  66  -3.579  -0.580  12.043
  531    H    TYR  67           H        TYR  67  -1.773  -1.186   7.716
  532    HA   TYR  67           HA       TYR  67  -0.702   1.375   8.474
  533   1HB   TYR  67          2HB       TYR  67   0.571  -0.253   7.145
  534   2HB   TYR  67          3HB       TYR  67  -0.574  -0.133   5.831
  535    HD1  TYR  67           HD1      TYR  67   0.726   0.644   4.010
  536    HD2  TYR  67           HD2      TYR  67   0.940   2.635   7.786
  537    HE1  TYR  67           HE1      TYR  67   2.214   2.358   3.013
  538    HE2  TYR  67           HE2      TYR  67   2.435   4.389   6.810
  539    HH   TYR  67           HH       TYR  67   3.326   4.318   3.358
  540    H    LEU  68           H        LEU  68  -2.957   0.437   5.926
  541    HA   LEU  68           HA       LEU  68  -3.456   3.043   4.854
  542   1HB   LEU  68          2HB       LEU  68  -5.154   0.525   4.740
  543   2HB   LEU  68          3HB       LEU  68  -5.278   1.908   3.652
  544    HG   LEU  68           HG       LEU  68  -2.800   0.137   3.892
  545   1HD1  LEU  68          1HD1      LEU  68  -4.976   0.153   1.789
  546   2HD1  LEU  68          2HD1      LEU  68  -3.480  -0.810   1.746
  547   3HD1  LEU  68          3HD1      LEU  68  -4.688  -1.119   2.999
  548   1HD2  LEU  68          1HD2      LEU  68  -2.190   2.322   3.134
  549   2HD2  LEU  68          2HD2      LEU  68  -2.086   1.158   1.819
  550   3HD2  LEU  68          3HD2      LEU  68  -3.463   2.288   1.891
  551    H    THR  69           H        THR  69  -4.768   1.536   7.716
  552    HA   THR  69           HA       THR  69  -7.078   3.196   8.126
  553    HB   THR  69           HB       THR  69  -5.254   2.085  10.212
  554    HG1  THR  69           1HG      THR  69  -6.530   0.350  10.282
  555   1HG2  THR  69          1HG2      THR  69  -8.200   2.797  10.341
  556   2HG2  THR  69          2HG2      THR  69  -7.298   1.966  11.614
  557   3HG2  THR  69          3HG2      THR  69  -6.871   3.625  11.206
  558    H    ASN  70           H        ASN  70  -3.602   3.637   8.740
  559    HA   ASN  70           HA       ASN  70  -3.933   6.448   9.498
  560   1HB   ASN  70          2HB       ASN  70  -4.716   4.833  11.470
  561   2HB   ASN  70          3HB       ASN  70  -3.007   4.637  11.759
  562   1HD2  ASN  70          2HD2      ASN  70  -1.789   6.808  11.840
  563   2HD2  ASN  70          1HD2      ASN  70  -2.678   8.149  12.619
  564    HA   PRO  71           HA       PRO  71   0.151   4.764   7.968
  565   1HB   PRO  71          2HB       PRO  71   0.750   6.634   5.989
  566   2HB   PRO  71          3HB       PRO  71  -0.220   5.147   5.766
  567   1HG   PRO  71          2HG       PRO  71  -1.215   7.945   6.290
  568   2HG   PRO  71          3HG       PRO  71  -1.791   6.771   5.076
  569   1HD   PRO  71          2HD       PRO  71  -3.103   7.108   7.415
  570   2HD   PRO  71          3HD       PRO  71  -2.890   5.469   6.728
  571    H    LYS  72           H        LYS  72  -0.465   8.159   8.635
  572    HA   LYS  72           HA       LYS  72   2.228   9.001   9.267
  573   1HB   LYS  72          2HB       LYS  72  -0.537  10.140   9.544
  574   2HB   LYS  72          3HB       LYS  72   0.639  10.744  10.681
  575   1HG   LYS  72          2HG       LYS  72   0.585  12.213   8.789
  576   2HG   LYS  72          3HG       LYS  72   2.160  11.443   8.924
  577   1HD   LYS  72          2HD       LYS  72   1.449  11.604   6.574
  578   2HD   LYS  72          3HD       LYS  72   1.644   9.933   7.076
  579   1HE   LYS  72          2HE       LYS  72  -0.360   9.991   5.799
  580   2HE   LYS  72          3HE       LYS  72  -0.847   9.798   7.472
  581   1HZ   LYS  72          1HZ       LYS  72  -0.974  12.273   5.860
  582   2HZ   LYS  72          2HZ       LYS  72  -2.193  11.342   6.313
  583   3HZ   LYS  72          3HZ       LYS  72  -1.375  12.208   7.476
  584    H    LYS  73           H        LYS  73   0.454   6.820  11.044
  585    HA   LYS  73           HA       LYS  73   2.182   7.399  13.409
  586   1HB   LYS  73          2HB       LYS  73  -0.463   7.953  13.545
  587   2HB   LYS  73          3HB       LYS  73  -0.504   6.280  14.091
  588   1HG   LYS  73          2HG       LYS  73   1.171   8.559  15.269
  589   2HG   LYS  73          3HG       LYS  73  -0.393   8.016  15.872
  590   1HD   LYS  73          2HD       LYS  73   0.642   5.737  16.300
  591   2HD   LYS  73          3HD       LYS  73   2.223   6.476  15.935
  592   1HE   LYS  73          2HE       LYS  73   1.880   8.151  17.710
  593   2HE   LYS  73          3HE       LYS  73   0.282   7.484  18.062
  594   1HZ   LYS  73          1HZ       LYS  73   2.834   6.006  18.356
  595   2HZ   LYS  73          2HZ       LYS  73   1.959   6.641  19.599
  596   3HZ   LYS  73          3HZ       LYS  73   1.344   5.408  18.707
  597    H    TYR  74           H        TYR  74   0.714   4.964  11.351
  598    HA   TYR  74           HA       TYR  74   1.903   2.642  12.547
  599   1HB   TYR  74          2HB       TYR  74   0.216   2.946  10.594
  600   2HB   TYR  74          3HB       TYR  74   1.620   3.305   9.617
  601    HD1  TYR  74           HD1      TYR  74  -0.277   0.712  11.420
  602    HD2  TYR  74           HD2      TYR  74   3.197   1.478   8.957
  603    HE1  TYR  74           HE1      TYR  74  -0.095  -1.709  10.896
  604    HE2  TYR  74           HE2      TYR  74   3.338  -0.960   8.435
  605    HH   TYR  74           HH       TYR  74   0.814  -3.041   8.947
  606    H    ILE  75           H        ILE  75   3.149   5.240  10.529
  607    HA   ILE  75           HA       ILE  75   5.953   4.474  11.175
  608    HB   ILE  75           HB       ILE  75   4.914   5.694   8.601
  609   1HG1  ILE  75          2HG1      ILE  75   6.637   3.225   8.862
  610   2HG1  ILE  75          3HG1      ILE  75   4.875   3.099   8.922
  611   1HG2  ILE  75          1HG2      ILE  75   7.741   5.242   9.656
  612   2HG2  ILE  75          2HG2      ILE  75   7.409   5.663   7.969
  613   3HG2  ILE  75          3HG2      ILE  75   7.030   6.806   9.248
  614   1HD1  ILE  75          1HD1      ILE  75   6.472   4.183   6.584
  615   2HD1  ILE  75          2HD1      ILE  75   5.622   2.631   6.673
  616   3HD1  ILE  75          3HD1      ILE  75   4.713   4.158   6.692
  617    HA   PRO  76           HA       PRO  76   5.450   8.752  12.776
  618   1HB   PRO  76          2HB       PRO  76   7.750   8.957  14.204
  619   2HB   PRO  76          3HB       PRO  76   6.370   7.966  14.759
  620   1HG   PRO  76          2HG       PRO  76   8.868   7.029  13.313
  621   2HG   PRO  76          3HG       PRO  76   8.106   6.331  14.774
  622   1HD   PRO  76          2HD       PRO  76   7.673   5.367  12.232
  623   2HD   PRO  76          3HD       PRO  76   6.425   5.292  13.514
  624    H    GLY  77           H        GLY  77   5.542   9.556  10.646
  625   1HA   GLY  77          1HA       GLY  77   6.618  11.458   9.552
  626   2HA   GLY  77          2HA       GLY  77   8.192  10.773   9.900
  627    H    THR  78           H        THR  78   5.739   8.629   8.499
  628    HA   THR  78           HA       THR  78   7.280   8.179   6.093
  629    HB   THR  78           HB       THR  78   5.723   6.497   6.753
  630    HG1  THR  78           1HG      THR  78   4.728   6.154   4.811
  631   1HG2  THR  78          1HG2      THR  78   3.401   8.371   6.141
  632   2HG2  THR  78          2HG2      THR  78   3.313   6.668   6.616
  633   3HG2  THR  78          3HG2      THR  78   3.901   7.871   7.774
  634    H    LYS  79           H        LYS  79   7.319   9.164   4.171
  635    HA   LYS  79           HA       LYS  79   6.062  11.678   3.498
  636   1HB   LYS  79          2HB       LYS  79   7.322   9.399   2.008
  637   2HB   LYS  79          3HB       LYS  79   6.557  10.702   1.102
  638   1HG   LYS  79          2HG       LYS  79   8.188  12.285   1.630
  639   2HG   LYS  79          3HG       LYS  79   8.861  11.301   2.971
  640   1HD   LYS  79          2HD       LYS  79   9.482   9.554   1.508
  641   2HD   LYS  79          3HD       LYS  79   8.594  10.226   0.138
  642   1HE   LYS  79          2HE       LYS  79  10.287  11.842  -0.263
  643   2HE   LYS  79          3HE       LYS  79  11.187  11.346   1.203
  644   1HZ   LYS  79          1HZ       LYS  79  10.424   9.181  -0.574
  645   2HZ   LYS  79          2HZ       LYS  79  11.624  10.146  -1.187
  646   3HZ   LYS  79          3HZ       LYS  79  11.784   9.361   0.236
  647    H    MET  80           H        MET  80   4.587   8.508   3.666
  648    HA   MET  80           HA       MET  80   2.656   8.878   1.556
  649   1HB   MET  80          2HB       MET  80   3.223   6.659   2.386
  650   2HB   MET  80          3HB       MET  80   2.605   7.058   3.995
  651   1HG   MET  80          2HG       MET  80   0.417   7.058   3.346
  652   2HG   MET  80          3HG       MET  80   0.772   7.476   1.675
  653   1HE   MET  80          1HE       MET  80  -1.458   5.761   1.669
  654   2HE   MET  80          2HE       MET  80  -1.308   4.021   1.987
  655   3HE   MET  80          3HE       MET  80  -1.178   5.178   3.330
  656    H    ALA  81           H        ALA  81   2.140  11.040   1.918
  657    HA   ALA  81           HA       ALA  81   1.004  12.162   4.143
  658   1HB   ALA  81          1HB       ALA  81   0.529  12.970   1.238
  659   2HB   ALA  81          2HB       ALA  81   0.401  14.037   2.652
  660   3HB   ALA  81          3HB       ALA  81   1.978  13.372   2.190
  661    H    PHE  82           H        PHE  82  -0.461   9.991   2.477
  662    HA   PHE  82           HA       PHE  82  -3.179  10.433   2.016
  663   1HB   PHE  82          2HB       PHE  82  -1.820   8.457   1.370
  664   2HB   PHE  82          3HB       PHE  82  -1.812   7.924   3.047
  665    HD1  PHE  82           HD1      PHE  82  -3.446   6.307   3.692
  666    HD2  PHE  82           HD2      PHE  82  -4.201   8.885   0.308
  667    HE1  PHE  82           HE1      PHE  82  -5.479   5.016   3.169
  668    HE2  PHE  82           HE2      PHE  82  -6.227   7.574  -0.225
  669    HZ   PHE  82           HZ       PHE  82  -6.856   5.636   1.175
  670    H    GLY  83           H        GLY  83  -5.123  10.026   3.111
  671   1HA   GLY  83          1HA       GLY  83  -5.195  11.105   5.761
  672   2HA   GLY  83          2HA       GLY  83  -6.572  10.487   4.862
  673    H    GLY  84           H        GLY  84  -6.788   8.054   4.826
  674   1HA   GLY  84          1HA       GLY  84  -6.022   6.117   6.522
  675   2HA   GLY  84          2HA       GLY  84  -6.755   7.235   7.665
  676    H    LEU  85           H        LEU  85  -7.400   4.741   5.352
  677    HA   LEU  85           HA       LEU  85 -10.303   5.343   5.183
  678   1HB   LEU  85          2HB       LEU  85  -8.613   3.055   4.105
  679   2HB   LEU  85          3HB       LEU  85 -10.343   3.237   3.852
  680    HG   LEU  85           HG       LEU  85  -8.185   5.135   2.862
  681   1HD1  LEU  85          1HD1      LEU  85 -10.019   3.198   1.367
  682   2HD1  LEU  85          2HD1      LEU  85  -8.793   4.265   0.636
  683   3HD1  LEU  85          3HD1      LEU  85  -8.295   2.946   1.690
  684   1HD2  LEU  85          1HD2      LEU  85 -10.242   6.415   3.263
  685   2HD2  LEU  85          2HD2      LEU  85  -9.974   6.222   1.543
  686   3HD2  LEU  85          3HD2      LEU  85 -11.193   5.207   2.361
  687    H    LYS  86           H        LYS  86 -10.493   5.342   7.489
  688    HA   LYS  86           HA       LYS  86 -10.147   3.029   9.131
  689   1HB   LYS  86          2HB       LYS  86 -11.957   5.428   9.636
  690   2HB   LYS  86          3HB       LYS  86 -11.349   4.276  10.835
  691   1HG   LYS  86          2HG       LYS  86  -8.983   4.960  10.053
  692   2HG   LYS  86          3HG       LYS  86  -9.761   6.332   9.257
  693   1HD   LYS  86          2HD       LYS  86 -10.720   7.060  11.417
  694   2HD   LYS  86          3HD       LYS  86  -9.961   5.686  12.233
  695   1HE   LYS  86          2HE       LYS  86  -8.501   7.947  10.785
  696   2HE   LYS  86          3HE       LYS  86  -8.678   7.782  12.536
  697   1HZ   LYS  86          1HZ       LYS  86  -7.171   5.966  10.740
  698   2HZ   LYS  86          2HZ       LYS  86  -6.545   6.913  11.922
  699   3HZ   LYS  86          3HZ       LYS  86  -7.473   5.631  12.328
  700    H    LYS  87           H        LYS  87 -11.620   2.174   6.881
  701    HA   LYS  87           HA       LYS  87 -14.057   0.980   8.148
  702   1HB   LYS  87          2HB       LYS  87 -13.827   2.120   5.341
  703   2HB   LYS  87          3HB       LYS  87 -15.079   0.980   5.833
  704   1HG   LYS  87          2HG       LYS  87 -15.838   2.576   7.596
  705   2HG   LYS  87          3HG       LYS  87 -14.661   3.766   7.019
  706   1HD   LYS  87          2HD       LYS  87 -16.816   2.506   5.267
  707   2HD   LYS  87          3HD       LYS  87 -17.049   4.030   6.132
  708   1HE   LYS  87          2HE       LYS  87 -15.566   5.220   4.796
  709   2HE   LYS  87          3HE       LYS  87 -14.600   3.786   4.413
  710   1HZ   LYS  87          1HZ       LYS  87 -17.293   4.254   3.269
  711   2HZ   LYS  87          2HZ       LYS  87 -15.828   4.426   2.485
  712   3HZ   LYS  87          3HZ       LYS  87 -16.264   2.985   2.979
  713    H    GLU  88           H        GLU  88 -13.429  -1.003   8.517
  714    HA   GLU  88           HA       GLU  88 -11.594  -2.730   7.332
  715   1HB   GLU  88          2HB       GLU  88 -12.718  -3.123   9.367
  716   2HB   GLU  88          3HB       GLU  88 -14.295  -3.188   8.638
  717   1HG   GLU  88          2HG       GLU  88 -12.129  -5.172   7.839
  718   2HG   GLU  88          3HG       GLU  88 -12.992  -5.362   9.369
  719    H    LYS  89           H        LYS  89 -15.000  -2.643   6.332
  720    HA   LYS  89           HA       LYS  89 -15.093  -4.015   4.042
  721   1HB   LYS  89          2HB       LYS  89 -16.291  -1.239   4.187
  722   2HB   LYS  89          3HB       LYS  89 -16.922  -2.646   3.345
  723   1HG   LYS  89          2HG       LYS  89 -16.759  -2.349   6.380
  724   2HG   LYS  89          3HG       LYS  89 -18.133  -1.976   5.392
  725   1HD   LYS  89          2HD       LYS  89 -16.954  -4.746   5.089
  726   2HD   LYS  89          3HD       LYS  89 -17.734  -4.399   6.615
  727   1HE   LYS  89          2HE       LYS  89 -19.085  -3.916   3.929
  728   2HE   LYS  89          3HE       LYS  89 -19.183  -5.454   4.797
  729   1HZ   LYS  89          1HZ       LYS  89 -20.040  -2.857   5.932
  730   2HZ   LYS  89          2HZ       LYS  89 -21.069  -4.008   5.345
  731   3HZ   LYS  89          3HZ       LYS  89 -20.152  -4.311   6.673
  732    H    ASP  90           H        ASP  90 -14.172  -0.565   3.853
  733    HA   ASP  90           HA       ASP  90 -13.536  -0.474   1.063
  734   1HB   ASP  90          2HB       ASP  90 -12.772   1.212   3.489
  735   2HB   ASP  90          3HB       ASP  90 -12.118   1.513   1.917
  736    H    ARG  91           H        ARG  91 -11.572  -1.067   3.975
  737    HA   ARG  91           HA       ARG  91  -8.996  -1.316   2.701
  738   1HB   ARG  91          2HB       ARG  91 -10.002  -2.522   5.315
  739   2HB   ARG  91          3HB       ARG  91  -8.324  -2.450   4.804
  740   1HG   ARG  91          2HG       ARG  91  -8.162  -0.126   5.117
  741   2HG   ARG  91          3HG       ARG  91  -9.900   0.120   5.038
  742   1HD   ARG  91          2HD       ARG  91  -9.246   0.397   7.333
  743   2HD   ARG  91          3HD       ARG  91 -10.193  -1.083   7.184
  744    HE   ARG  91           HE       ARG  91  -7.232  -1.268   7.145
  745   1HH1  ARG  91          1HH2      ARG  91 -10.111  -1.773   9.127
  746   2HH1  ARG  91          2HH2      ARG  91  -9.123  -2.643  10.296
  747   1HH2  ARG  91          1HH1      ARG  91  -6.229  -2.286   8.662
  748   2HH2  ARG  91          2HH1      ARG  91  -6.969  -2.750  10.158
  749    H    ASN  92           H        ASN  92 -11.401  -3.763   3.599
  750    HA   ASN  92           HA       ASN  92  -9.990  -6.106   2.867
  751   1HB   ASN  92          2HB       ASN  92 -12.939  -5.392   3.039
  752   2HB   ASN  92          3HB       ASN  92 -12.434  -6.955   2.431
  753   1HD2  ASN  92          2HD2      ASN  92 -14.040  -7.130   4.387
  754   2HD2  ASN  92          1HD2      ASN  92 -13.299  -7.254   5.955
  755    H    ASP  93           H        ASP  93 -12.336  -4.229   0.905
  756    HA   ASP  93           HA       ASP  93 -12.052  -5.766  -1.516
  757   1HB   ASP  93          2HB       ASP  93 -12.979  -2.975  -0.850
  758   2HB   ASP  93          3HB       ASP  93 -12.546  -3.327  -2.516
  759    H    LEU  94           H        LEU  94 -10.306  -2.837  -0.447
  760    HA   LEU  94           HA       LEU  94  -8.573  -2.502  -2.630
  761   1HB   LEU  94          2HB       LEU  94  -8.902  -1.359  -0.043
  762   2HB   LEU  94          3HB       LEU  94  -7.274  -1.942  -0.032
  763    HG   LEU  94           HG       LEU  94  -7.326   0.363  -0.657
  764   1HD1  LEU  94          1HD1      LEU  94  -6.682  -1.288  -3.139
  765   2HD1  LEU  94          2HD1      LEU  94  -6.100   0.343  -2.751
  766   3HD1  LEU  94          3HD1      LEU  94  -5.621  -1.021  -1.734
  767   1HD2  LEU  94          1HD2      LEU  94  -9.627   0.435  -1.550
  768   2HD2  LEU  94          2HD2      LEU  94  -8.451   1.246  -2.604
  769   3HD2  LEU  94          3HD2      LEU  94  -9.070  -0.361  -3.043
  770    H    ILE  95           H        ILE  95  -7.924  -4.338   0.352
  771    HA   ILE  95           HA       ILE  95  -5.421  -5.471  -0.449
  772    HB   ILE  95           HB       ILE  95  -7.559  -6.314   1.525
  773   1HG1  ILE  95          2HG1      ILE  95  -6.369  -4.222   2.090
  774   2HG1  ILE  95          3HG1      ILE  95  -6.096  -5.505   3.249
  775   1HG2  ILE  95          1HG2      ILE  95  -4.831  -7.600   1.129
  776   2HG2  ILE  95          2HG2      ILE  95  -5.882  -7.828   2.549
  777   3HG2  ILE  95          3HG2      ILE  95  -6.417  -8.370   0.970
  778   1HD1  ILE  95          1HD1      ILE  95  -4.122  -4.624   1.095
  779   2HD1  ILE  95          2HD1      ILE  95  -4.077  -4.181   2.806
  780   3HD1  ILE  95          3HD1      ILE  95  -3.827  -5.869   2.334
  781    H    THR  96           H        THR  96  -8.735  -6.802  -0.757
  782    HA   THR  96           HA       THR  96  -7.993  -9.267  -1.979
  783    HB   THR  96           HB       THR  96 -10.576  -7.737  -2.494
  784    HG1  THR  96           1HG      THR  96 -10.175  -8.019  -0.301
  785   1HG2  THR  96          1HG2      THR  96  -9.912 -10.719  -2.546
  786   2HG2  THR  96          2HG2      THR  96 -11.538 -10.029  -2.693
  787   3HG2  THR  96          3HG2      THR  96 -10.336  -9.725  -3.957
  788    H    TYR  97           H        TYR  97  -8.356  -6.088  -3.454
  789    HA   TYR  97           HA       TYR  97  -7.756  -7.044  -6.182
  790   1HB   TYR  97          2HB       TYR  97  -8.830  -4.994  -6.112
  791   2HB   TYR  97          3HB       TYR  97  -7.797  -4.334  -4.856
  792    HD1  TYR  97           HD1      TYR  97  -7.422  -5.765  -8.335
  793    HD2  TYR  97           HD2      TYR  97  -6.251  -2.713  -5.516
  794    HE1  TYR  97           HE1      TYR  97  -5.903  -4.771 -10.035
  795    HE2  TYR  97           HE2      TYR  97  -4.743  -1.721  -7.234
  796    HH   TYR  97           HH       TYR  97  -4.130  -3.319 -10.336
  797    H    LEU  98           H        LEU  98  -5.732  -5.235  -3.759
  798    HA   LEU  98           HA       LEU  98  -3.466  -5.289  -5.397
  799   1HB   LEU  98          2HB       LEU  98  -4.263  -4.379  -2.742
  800   2HB   LEU  98          3HB       LEU  98  -2.688  -5.093  -2.622
  801    HG   LEU  98           HG       LEU  98  -3.382  -3.039  -4.767
  802   1HD1  LEU  98          1HD1      LEU  98  -2.135  -2.484  -2.045
  803   2HD1  LEU  98          2HD1      LEU  98  -2.452  -1.309  -3.348
  804   3HD1  LEU  98          3HD1      LEU  98  -3.798  -2.089  -2.514
  805   1HD2  LEU  98          1HD2      LEU  98  -1.258  -4.364  -5.066
  806   2HD2  LEU  98          2HD2      LEU  98  -0.996  -2.630  -4.838
  807   3HD2  LEU  98          3HD2      LEU  98  -0.701  -3.768  -3.495
  808    H    LYS  99           H        LYS  99  -4.496  -7.660  -3.057
  809    HA   LYS  99           HA       LYS  99  -2.177  -9.364  -3.037
  810   1HB   LYS  99          2HB       LYS  99  -4.277  -9.499  -1.540
  811   2HB   LYS  99          3HB       LYS  99  -5.079 -10.289  -2.908
  812   1HG   LYS  99          2HG       LYS  99  -2.995 -11.900  -2.878
  813   2HG   LYS  99          3HG       LYS  99  -2.665 -11.177  -1.298
  814   1HD   LYS  99          2HD       LYS  99  -5.291 -11.833  -0.972
  815   2HD   LYS  99          3HD       LYS  99  -4.862 -13.037  -2.170
  816   1HE   LYS  99          2HE       LYS  99  -3.549 -12.568   0.541
  817   2HE   LYS  99          3HE       LYS  99  -4.593 -13.910   0.122
  818   1HZ   LYS  99          1HZ       LYS  99  -1.909 -13.380  -1.100
  819   2HZ   LYS  99          2HZ       LYS  99  -2.242 -14.551  -0.009
  820   3HZ   LYS  99          3HZ       LYS  99  -2.809 -14.561  -1.570
  821    H    LYS 100           H        LYS 100  -5.056  -9.303  -5.195
  822    HA   LYS 100           HA       LYS 100  -3.792 -11.354  -6.875
  823   1HB   LYS 100          2HB       LYS 100  -6.451 -10.852  -6.274
  824   2HB   LYS 100          3HB       LYS 100  -6.315 -10.185  -7.915
  825   1HG   LYS 100          2HG       LYS 100  -4.920 -12.224  -8.485
  826   2HG   LYS 100          3HG       LYS 100  -5.389 -12.925  -6.930
  827   1HD   LYS 100          2HD       LYS 100  -7.698 -13.130  -7.736
  828   2HD   LYS 100          3HD       LYS 100  -7.235 -12.388  -9.291
  829   1HE   LYS 100          2HE       LYS 100  -5.992 -14.885  -8.037
  830   2HE   LYS 100          3HE       LYS 100  -7.156 -14.928  -9.374
  831   1HZ   LYS 100          1HZ       LYS 100  -4.411 -13.737  -9.396
  832   2HZ   LYS 100          2HZ       LYS 100  -4.750 -15.118 -10.019
  833   3HZ   LYS 100          3HZ       LYS 100  -5.397 -13.745 -10.722
  834    H    ALA 101           H        ALA 101  -3.664  -8.087  -6.842
  835    HA   ALA 101           HA       ALA 101  -2.527  -7.889  -9.578
  836   1HB   ALA 101          1HB       ALA 101  -2.072  -6.009  -7.241
  837   2HB   ALA 101          2HB       ALA 101  -1.872  -5.685  -8.982
  838   3HB   ALA 101          3HB       ALA 101  -3.495  -5.928  -8.312
  839    H    THR 102           H        THR 102  -1.509  -9.400  -6.749
  840    HA   THR 102           HA       THR 102   1.333  -9.508  -7.636
  841    HB   THR 102           HB       THR 102   0.195 -10.033  -4.864
  842    HG1  THR 102           1HG      THR 102   0.233  -7.900  -5.261
  843   1HG2  THR 102          1HG2      THR 102   3.023 -10.141  -5.937
  844   2HG2  THR 102          2HG2      THR 102   2.631  -9.958  -4.203
  845   3HG2  THR 102          3HG2      THR 102   2.126 -11.404  -5.084
  846    H    GLU 103           H        GLU 103  -1.607 -11.326  -6.970
  847    HA   GLU 103           HA       GLU 103  -0.440 -13.984  -7.665
  848   1HB   GLU 103          2HB       GLU 103  -2.501 -13.267  -5.540
  849   2HB   GLU 103          3HB       GLU 103  -1.917 -14.895  -5.900
  850   1HG   GLU 103          2HG       GLU 103   0.274 -14.405  -5.029
  851   2HG   GLU 103          3HG       GLU 103  -0.126 -12.696  -4.818
  852    HHA  HEC 104           HHA      HEC 104   5.315   3.174   0.806
  853    HHB  HEC 104           HHB      HEC 104  -0.383   0.309  -0.209
  854    HHC  HEC 104           HHC      HEC 104  -3.080   6.076  -1.451
  855    HHD  HEC 104           HHD      HEC 104   2.743   8.785  -1.101
  856   1HMA  HEC 104          1HMA      HEC 104   1.815  -1.246   1.482
  857   2HMA  HEC 104          2HMA      HEC 104   1.197  -1.251  -0.185
  858   3HMA  HEC 104          3HMA      HEC 104   2.910  -1.526   0.109
  859   1HAA  HEC 104          1HAA      HEC 104   4.621  -0.552   1.276
  860   2HAA  HEC 104          2HAA      HEC 104   5.331   0.994   1.717
  861   1HBA  HEC 104          1HBA      HEC 104   6.077   1.351  -0.604
  862   2HBA  HEC 104          2HBA      HEC 104   5.269  -0.125  -1.114
  863   1HMB  HEC 104          1HMB      HEC 104  -3.632   0.507  -0.249
  864   2HMB  HEC 104          2HMB      HEC 104  -3.639   0.796  -1.999
  865   3HMB  HEC 104          3HMB      HEC 104  -2.264  -0.002  -1.248
  866    HAB  HEC 104           HAB      HEC 104  -4.584   4.712  -1.284
  867   1HBB  HEC 104          1HBB      HEC 104  -4.952   3.615   0.844
  868   2HBB  HEC 104          2HBB      HEC 104  -6.349   3.496  -0.232
  869   3HBB  HEC 104          3HBB      HEC 104  -5.308   2.084   0.007
  870   1HMC  HEC 104          1HMC      HEC 104  -3.332   8.313  -1.617
  871   2HMC  HEC 104          2HMC      HEC 104  -2.427   9.705  -2.220
  872   3HMC  HEC 104          3HMC      HEC 104  -2.573   8.227  -3.204
  873    HAC  HEC 104           HAC      HEC 104   1.540   9.912  -2.323
  874   1HBC  HEC 104          1HBC      HEC 104   0.551  10.959  -0.370
  875   2HBC  HEC 104          2HBC      HEC 104   0.508  12.021  -1.790
  876   3HBC  HEC 104          3HBC      HEC 104  -0.973  11.202  -1.251
  877   1HMD  HEC 104          1HMD      HEC 104   5.816   8.503   0.798
  878   2HMD  HEC 104          2HMD      HEC 104   6.122   8.442  -0.932
  879   3HMD  HEC 104          3HMD      HEC 104   4.671   9.246  -0.306
  880   1HAD  HEC 104          1HAD      HEC 104   6.726   4.785   1.367
  881   2HAD  HEC 104          2HAD      HEC 104   6.560   6.470   1.807
  882   1HBD  HEC 104          1HBD      HEC 104   7.322   6.560  -0.906
  883   2HBD  HEC 104          2HBD      HEC 104   8.209   5.205  -0.302
  Start of MODEL   32
    1   1H    THR  -5          H1        THR  -5 -10.195  -6.683  10.803
    2   2H    THR  -5          H2        THR  -5  -9.634  -6.413  12.333
    3   3H    THR  -5          H3        THR  -5 -11.200  -6.043  11.902
    4    HA   THR  -5           HA       THR  -5 -11.013  -8.059  13.260
    5    HB   THR  -5           HB       THR  -5 -12.134  -8.462  10.469
    6    HG1  THR  -5           1HG      THR  -5 -13.100  -6.724  11.311
    7   1HG2  THR  -5          1HG2      THR  -5 -12.856  -9.739  13.152
    8   2HG2  THR  -5          2HG2      THR  -5 -13.737  -9.949  11.626
    9   3HG2  THR  -5          3HG2      THR  -5 -12.096 -10.594  11.789
   10    H    GLU  -4           H        GLU  -4 -10.549  -9.759  10.182
   11    HA   GLU  -4           HA       GLU  -4  -7.646 -10.019  10.655
   12   1HB   GLU  -4          2HB       GLU  -4  -8.813 -12.087  11.507
   13   2HB   GLU  -4          3HB       GLU  -4  -9.552 -12.299   9.927
   14   1HG   GLU  -4          2HG       GLU  -4  -7.685 -13.775  10.035
   15   2HG   GLU  -4          3HG       GLU  -4  -7.215 -12.483   8.937
   16    H    PHE  -3           H        PHE  -3  -9.245 -11.726   8.121
   17    HA   PHE  -3           HA       PHE  -3  -9.445  -9.367   6.347
   18   1HB   PHE  -3          2HB       PHE  -3  -7.277 -10.251   5.782
   19   2HB   PHE  -3          3HB       PHE  -3  -7.912 -11.893   5.691
   20    HD1  PHE  -3           HD1      PHE  -3  -7.687 -12.604   3.462
   21    HD2  PHE  -3           HD2      PHE  -3  -9.131  -8.625   4.226
   22    HE1  PHE  -3           HE1      PHE  -3  -8.221 -12.343   1.070
   23    HE2  PHE  -3           HE2      PHE  -3  -9.786  -8.406   1.856
   24    HZ   PHE  -3           HZ       PHE  -3  -9.352 -10.251   0.258
   25    H    LYS  -2           H        LYS  -2 -11.583  -9.318   6.191
   26    HA   LYS  -2           HA       LYS  -2 -13.084 -11.810   5.462
   27   1HB   LYS  -2          2HB       LYS  -2 -13.744 -10.541   7.597
   28   2HB   LYS  -2          3HB       LYS  -2 -14.431  -9.315   6.539
   29   1HG   LYS  -2          2HG       LYS  -2 -15.131 -12.294   6.630
   30   2HG   LYS  -2          3HG       LYS  -2 -16.088 -10.978   7.308
   31   1HD   LYS  -2          2HD       LYS  -2 -16.504 -10.094   5.006
   32   2HD   LYS  -2          3HD       LYS  -2 -15.541 -11.410   4.332
   33   1HE   LYS  -2          2HE       LYS  -2 -17.853 -11.951   4.090
   34   2HE   LYS  -2          3HE       LYS  -2 -17.056 -13.096   5.175
   35   1HZ   LYS  -2          1HZ       LYS  -2 -18.723 -10.807   6.056
   36   2HZ   LYS  -2          2HZ       LYS  -2 -19.202 -12.386   6.061
   37   3HZ   LYS  -2          3HZ       LYS  -2 -17.992 -11.883   7.056
   38    H    ALA  -1           H        ALA  -1 -12.238 -11.622   3.474
   39    HA   ALA  -1           HA       ALA  -1 -12.028  -9.626   1.673
   40   1HB   ALA  -1          1HB       ALA  -1 -12.935 -12.447   0.970
   41   2HB   ALA  -1          2HB       ALA  -1 -11.986 -11.344  -0.051
   42   3HB   ALA  -1          3HB       ALA  -1 -11.278 -12.009   1.435
   43    H    GLY   1           H        GLY   1 -13.027  -8.989  -0.232
   44   1HA   GLY   1          1HA       GLY   1 -16.037  -8.790  -0.135
   45   2HA   GLY   1          2HA       GLY   1 -14.985  -7.442  -0.565
   46    H    SER   2           H        SER   2 -14.549  -7.154  -2.742
   47    HA   SER   2           HA       SER   2 -14.392  -9.529  -4.531
   48   1HB   SER   2          2HB       SER   2 -16.562  -7.450  -4.710
   49   2HB   SER   2          3HB       SER   2 -15.965  -8.242  -6.183
   50    HG   SER   2           HG       SER   2 -16.602  -9.803  -3.929
   51    H    ALA   3           H        ALA   3 -12.776  -9.334  -5.920
   52    HA   ALA   3           HA       ALA   3 -10.986  -7.273  -5.813
   53   1HB   ALA   3          1HB       ALA   3 -11.364  -9.185  -8.149
   54   2HB   ALA   3          2HB       ALA   3  -9.888  -8.274  -7.765
   55   3HB   ALA   3          3HB       ALA   3 -10.469  -9.516  -6.646
   56    H    LYS   4           H        LYS   4 -13.679  -7.309  -8.155
   57    HA   LYS   4           HA       LYS   4 -12.690  -4.978  -9.595
   58   1HB   LYS   4          2HB       LYS   4 -15.445  -6.277  -9.523
   59   2HB   LYS   4          3HB       LYS   4 -15.081  -4.833 -10.478
   60   1HG   LYS   4          2HG       LYS   4 -13.237  -6.070 -11.629
   61   2HG   LYS   4          3HG       LYS   4 -13.732  -7.550 -10.784
   62   1HD   LYS   4          2HD       LYS   4 -15.943  -7.460 -11.866
   63   2HD   LYS   4          3HD       LYS   4 -15.535  -5.902 -12.619
   64   1HE   LYS   4          2HE       LYS   4 -13.621  -7.003 -13.803
   65   2HE   LYS   4          3HE       LYS   4 -14.109  -8.557 -13.115
   66   1HZ   LYS   4          1HZ       LYS   4 -15.783  -6.888 -14.917
   67   2HZ   LYS   4          2HZ       LYS   4 -14.978  -8.247 -15.362
   68   3HZ   LYS   4          3HZ       LYS   4 -16.222  -8.345 -14.295
   69    H    LYS   5           H        LYS   5 -14.294  -5.231  -6.718
   70    HA   LYS   5           HA       LYS   5 -15.249  -2.399  -6.562
   71   1HB   LYS   5          2HB       LYS   5 -15.061  -4.504  -4.384
   72   2HB   LYS   5          3HB       LYS   5 -15.691  -2.869  -4.211
   73   1HG   LYS   5          2HG       LYS   5 -17.373  -3.517  -6.095
   74   2HG   LYS   5          3HG       LYS   5 -16.820  -5.172  -5.837
   75   1HD   LYS   5          2HD       LYS   5 -18.593  -5.215  -4.411
   76   2HD   LYS   5          3HD       LYS   5 -17.407  -4.600  -3.270
   77   1HE   LYS   5          2HE       LYS   5 -19.418  -2.968  -4.897
   78   2HE   LYS   5          3HE       LYS   5 -19.540  -3.355  -3.176
   79   1HZ   LYS   5          1HZ       LYS   5 -17.462  -1.655  -4.428
   80   2HZ   LYS   5          2HZ       LYS   5 -18.657  -1.149  -3.418
   81   3HZ   LYS   5          3HZ       LYS   5 -17.424  -2.126  -2.866
   82    H    GLY   6           H        GLY   6 -12.721  -4.390  -4.951
   83   1HA   GLY   6          1HA       GLY   6 -11.202  -2.265  -3.865
   84   2HA   GLY   6          2HA       GLY   6 -10.517  -3.791  -4.421
   85    H    ALA   7           H        ALA   7 -10.892  -3.674  -7.155
   86    HA   ALA   7           HA       ALA   7  -8.921  -1.993  -8.199
   87   1HB   ALA   7          1HB       ALA   7 -11.364  -3.050  -9.699
   88   2HB   ALA   7          2HB       ALA   7  -9.795  -2.595 -10.389
   89   3HB   ALA   7          3HB       ALA   7  -9.922  -4.009  -9.334
   90    H    THR   8           H        THR   8 -12.474  -1.383  -8.300
   91    HA   THR   8           HA       THR   8 -12.152   1.177  -9.663
   92    HB   THR   8           HB       THR   8 -14.555   1.592  -8.932
   93    HG1  THR   8           1HG      THR   8 -14.420  -1.158  -8.275
   94   1HG2  THR   8          1HG2      THR   8 -13.916  -0.922 -10.534
   95   2HG2  THR   8          2HG2      THR   8 -15.450  -0.024 -10.561
   96   3HG2  THR   8          3HG2      THR   8 -13.968   0.744 -11.153
   97    H    LEU   9           H        LEU   9 -12.123   0.296  -6.260
   98    HA   LEU   9           HA       LEU   9 -12.361   2.961  -5.267
   99   1HB   LEU   9          2HB       LEU   9 -12.899   0.669  -4.141
  100   2HB   LEU   9          3HB       LEU   9 -11.174   0.547  -3.816
  101    HG   LEU   9           HG       LEU   9 -12.091   3.199  -3.129
  102   1HD1  LEU   9          1HD1      LEU   9 -13.715   1.008  -1.804
  103   2HD1  LEU   9          2HD1      LEU   9 -13.714   2.726  -1.354
  104   3HD1  LEU   9          3HD1      LEU   9 -14.335   2.226  -2.942
  105   1HD2  LEU   9          1HD2      LEU   9 -10.146   2.094  -2.098
  106   2HD2  LEU   9          2HD2      LEU   9 -11.321   2.674  -0.894
  107   3HD2  LEU   9          3HD2      LEU   9 -11.238   0.944  -1.285
  108    H    PHE  10           H        PHE  10  -9.592   0.679  -5.547
  109    HA   PHE  10           HA       PHE  10  -7.415   2.292  -4.895
  110   1HB   PHE  10          2HB       PHE  10  -7.248  -0.086  -5.457
  111   2HB   PHE  10          3HB       PHE  10  -7.718   0.223  -7.111
  112    HD1  PHE  10           HD1      PHE  10  -6.107   0.871  -8.771
  113    HD2  PHE  10           HD2      PHE  10  -4.993   0.752  -4.608
  114    HE1  PHE  10           HE1      PHE  10  -3.715   1.210  -9.381
  115    HE2  PHE  10           HE2      PHE  10  -2.625   1.198  -5.243
  116    HZ   PHE  10           HZ       PHE  10  -1.982   1.442  -7.601
  117    H    LYS  11           H        LYS  11  -9.071   2.113  -7.999
  118    HA   LYS  11           HA       LYS  11  -7.346   3.782  -9.538
  119   1HB   LYS  11          2HB       LYS  11  -8.949   2.110 -10.377
  120   2HB   LYS  11          3HB       LYS  11 -10.298   3.165  -9.930
  121   1HG   LYS  11          2HG       LYS  11  -9.630   4.801 -11.622
  122   2HG   LYS  11          3HG       LYS  11  -8.102   3.948 -11.899
  123   1HD   LYS  11          2HD       LYS  11  -9.615   3.468 -13.711
  124   2HD   LYS  11          3HD       LYS  11  -9.347   1.992 -12.769
  125   1HE   LYS  11          2HE       LYS  11 -11.500   2.407 -11.559
  126   2HE   LYS  11          3HE       LYS  11 -11.758   3.860 -12.536
  127   1HZ   LYS  11          1HZ       LYS  11 -11.525   1.108 -13.624
  128   2HZ   LYS  11          2HZ       LYS  11 -12.943   1.920 -13.434
  129   3HZ   LYS  11          3HZ       LYS  11 -11.821   2.463 -14.506
  130    H    THR  12           H        THR  12  -9.632   4.848  -7.204
  131    HA   THR  12           HA       THR  12  -9.179   7.680  -8.071
  132    HB   THR  12           HB       THR  12 -11.391   6.871  -8.777
  133    HG1  THR  12           1HG      THR  12 -12.320   8.728  -8.278
  134   1HG2  THR  12          1HG2      THR  12 -12.110   6.886  -5.822
  135   2HG2  THR  12          2HG2      THR  12 -13.214   6.660  -7.193
  136   3HG2  THR  12          3HG2      THR  12 -11.988   5.433  -6.839
  137    H    ARG  13           H        ARG  13  -8.002   5.843  -6.007
  138    HA   ARG  13           HA       ARG  13  -8.006   7.819  -3.754
  139   1HB   ARG  13          2HB       ARG  13  -8.218   4.803  -3.383
  140   2HB   ARG  13          3HB       ARG  13  -7.995   5.981  -2.089
  141   1HG   ARG  13          2HG       ARG  13 -10.428   5.814  -3.922
  142   2HG   ARG  13          3HG       ARG  13 -10.341   5.181  -2.284
  143   1HD   ARG  13          2HD       ARG  13 -10.232   7.362  -1.331
  144   2HD   ARG  13          3HD       ARG  13  -9.841   8.113  -2.863
  145    HE   ARG  13           HE       ARG  13 -12.487   6.786  -2.420
  146   1HH1  ARG  13          1HH2      ARG  13 -10.743   9.500  -3.651
  147   2HH1  ARG  13          2HH2      ARG  13 -12.146  10.352  -4.183
  148   1HH2  ARG  13          1HH1      ARG  13 -14.243   7.727  -3.384
  149   2HH2  ARG  13          2HH1      ARG  13 -14.094   9.328  -4.048
  150    H    CYS  14           H        CYS  14  -6.274   5.034  -5.169
  151    HA   CYS  14           HA       CYS  14  -3.813   5.854  -3.690
  152   1HB   CYS  14          2HB       CYS  14  -4.529   3.244  -4.976
  153   2HB   CYS  14          3HB       CYS  14  -3.193   3.515  -3.871
  154    H    LEU  15           H        LEU  15  -5.074   4.836  -6.875
  155    HA   LEU  15           HA       LEU  15  -2.739   4.419  -8.273
  156   1HB   LEU  15          2HB       LEU  15  -4.971   3.823  -9.024
  157   2HB   LEU  15          3HB       LEU  15  -5.388   5.527  -9.221
  158    HG   LEU  15           HG       LEU  15  -3.651   5.734 -10.978
  159   1HD1  LEU  15          1HD1      LEU  15  -3.437   2.704 -10.897
  160   2HD1  LEU  15          2HD1      LEU  15  -2.677   3.799 -12.059
  161   3HD1  LEU  15          3HD1      LEU  15  -2.164   3.837 -10.373
  162   1HD2  LEU  15          1HD2      LEU  15  -6.018   5.265 -11.535
  163   2HD2  LEU  15          2HD2      LEU  15  -4.906   4.564 -12.720
  164   3HD2  LEU  15          3HD2      LEU  15  -5.669   3.516 -11.503
  165    H    GLN  16           H        GLN  16  -4.093   7.558  -7.494
  166    HA   GLN  16           HA       GLN  16  -2.636   9.235  -9.215
  167   1HB   GLN  16          2HB       GLN  16  -3.057  10.997  -7.590
  168   2HB   GLN  16          3HB       GLN  16  -4.489  10.013  -7.878
  169   1HG   GLN  16          2HG       GLN  16  -4.052   8.799  -5.719
  170   2HG   GLN  16          3HG       GLN  16  -2.687   9.880  -5.426
  171   1HE2  GLN  16          2HE2      GLN  16  -5.231   9.532  -3.804
  172   2HE2  GLN  16          1HE2      GLN  16  -5.810  11.223  -3.801
  173    H    CYS  17           H        CYS  17  -1.382   7.482  -6.431
  174    HA   CYS  17           HA       CYS  17   1.228   8.940  -6.699
  175   1HB   CYS  17          2HB       CYS  17   0.013   7.589  -4.285
  176   2HB   CYS  17          3HB       CYS  17   1.624   8.264  -4.350
  177    H    HIS  18           H        HIS  18  -0.237   5.823  -6.958
  178    HA   HIS  18           HA       HIS  18   2.413   4.414  -6.859
  179   1HB   HIS  18          1HB       HIS  18  -0.290   3.729  -5.644
  180   2HB   HIS  18          2HB       HIS  18   0.932   2.508  -5.920
  181    HD1  HIS  18           HD1      HIS  18   3.514   3.504  -4.769
  182    HD2  HIS  18           HD2      HIS  18  -0.241   4.586  -3.224
  183    HE1  HIS  18           HE1      HIS  18   3.914   4.255  -2.365
  184    H    THR  19           H        THR  19   2.721   2.633  -8.122
  185    HA   THR  19           HA       THR  19   0.694   2.006 -10.226
  186    HB   THR  19           HB       THR  19   2.560   0.954 -11.411
  187    HG1  THR  19           1HG      THR  19   4.374   0.781 -10.384
  188   1HG2  THR  19          1HG2      THR  19   3.002   3.903 -10.766
  189   2HG2  THR  19          2HG2      THR  19   3.557   3.052 -12.209
  190   3HG2  THR  19          3HG2      THR  19   1.818   3.274 -11.937
  191    H    VAL  20           H        VAL  20   0.446  -0.188 -10.846
  192    HA   VAL  20           HA       VAL  20   0.448  -2.063  -8.515
  193    HB   VAL  20           HB       VAL  20  -1.542  -0.684  -8.794
  194   1HG1  VAL  20          1HG1      VAL  20  -2.054  -2.158 -11.400
  195   2HG1  VAL  20          2HG1      VAL  20  -3.171  -1.051 -10.586
  196   3HG1  VAL  20          3HG1      VAL  20  -1.655  -0.431 -11.242
  197   1HG2  VAL  20          1HG2      VAL  20  -1.636  -3.029  -7.827
  198   2HG2  VAL  20          2HG2      VAL  20  -3.158  -2.290  -8.341
  199   3HG2  VAL  20          3HG2      VAL  20  -2.378  -3.503  -9.377
  200    H    GLU  21           H        GLU  21   1.243  -1.770 -11.687
  201    HA   GLU  21           HA       GLU  21   1.403  -4.722 -12.116
  202   1HB   GLU  21          2HB       GLU  21   0.156  -2.751 -13.835
  203   2HB   GLU  21          3HB       GLU  21   1.468  -3.434 -14.684
  204   1HG   GLU  21          2HG       GLU  21  -0.734  -5.050 -13.316
  205   2HG   GLU  21          3HG       GLU  21  -0.673  -4.662 -15.045
  206    H    LYS  22           H        LYS  22   2.950  -4.895 -14.216
  207    HA   LYS  22           HA       LYS  22   5.656  -4.268 -13.224
  208   1HB   LYS  22          2HB       LYS  22   4.403  -5.928 -15.447
  209   2HB   LYS  22          3HB       LYS  22   6.072  -5.537 -15.497
  210   1HG   LYS  22          2HG       LYS  22   6.691  -6.961 -13.816
  211   2HG   LYS  22          3HG       LYS  22   5.297  -6.554 -12.835
  212   1HD   LYS  22          2HD       LYS  22   5.346  -8.595 -15.091
  213   2HD   LYS  22          3HD       LYS  22   5.176  -8.885 -13.339
  214   1HE   LYS  22          2HE       LYS  22   3.206  -7.068 -13.709
  215   2HE   LYS  22          3HE       LYS  22   3.179  -7.765 -15.311
  216   1HZ   LYS  22          1HZ       LYS  22   2.790  -9.163 -12.743
  217   2HZ   LYS  22          2HZ       LYS  22   1.633  -8.653 -13.767
  218   3HZ   LYS  22          3HZ       LYS  22   2.641  -9.899 -14.245
  219    H    GLY  23           H        GLY  23   7.189  -3.320 -14.710
  220   1HA   GLY  23          1HA       GLY  23   7.965  -1.620 -16.077
  221   2HA   GLY  23          2HA       GLY  23   6.415  -1.627 -16.917
  222    H    GLY  24           H        GLY  24   4.778  -0.919 -14.620
  223   1HA   GLY  24          1HA       GLY  24   4.504   1.773 -14.600
  224   2HA   GLY  24          2HA       GLY  24   4.149   0.784 -13.193
  225    HA   PRO  25           HA       PRO  25   8.414   2.946 -12.561
  226   1HB   PRO  25          2HB       PRO  25   8.427   5.633 -13.078
  227   2HB   PRO  25          3HB       PRO  25   8.786   4.404 -14.330
  228   1HG   PRO  25          2HG       PRO  25   6.138   5.788 -13.788
  229   2HG   PRO  25          3HG       PRO  25   6.982   5.594 -15.361
  230   1HD   PRO  25          2HD       PRO  25   4.991   3.911 -14.568
  231   2HD   PRO  25          3HD       PRO  25   6.405   3.304 -15.489
  232    H    HIS  26           H        HIS  26   9.008   3.965 -10.656
  233    HA   HIS  26           HA       HIS  26   7.094   4.492  -8.580
  234   1HB   HIS  26          2HB       HIS  26   9.920   5.577  -8.802
  235   2HB   HIS  26          3HB       HIS  26   9.005   5.237  -7.334
  236    HD1  HIS  26           HD1      HIS  26   8.277   2.170  -7.931
  237    HD2  HIS  26           HD2      HIS  26  11.989   4.056  -8.530
  238    HE1  HIS  26           HE1      HIS  26  10.103   0.366  -7.620
  239    H    LYS  27           H        LYS  27   6.180   6.399  -7.959
  240    HA   LYS  27           HA       LYS  27   6.574   8.792  -9.728
  241   1HB   LYS  27          2HB       LYS  27   4.618   7.296 -10.357
  242   2HB   LYS  27          3HB       LYS  27   3.859   7.722  -8.829
  243   1HG   LYS  27          2HG       LYS  27   3.978  10.169  -9.556
  244   2HG   LYS  27          3HG       LYS  27   4.655   9.607 -11.095
  245   1HD   LYS  27          2HD       LYS  27   2.550   8.194 -11.404
  246   2HD   LYS  27          3HD       LYS  27   1.908   8.940  -9.935
  247   1HE   LYS  27          2HE       LYS  27   0.975  10.158 -11.752
  248   2HE   LYS  27          3HE       LYS  27   2.193  11.201 -11.012
  249   1HZ   LYS  27          1HZ       LYS  27   2.546   9.582 -13.477
  250   2HZ   LYS  27          2HZ       LYS  27   2.419  11.220 -13.419
  251   3HZ   LYS  27          3HZ       LYS  27   3.739  10.472 -12.784
  252    H    VAL  28           H        VAL  28   4.059   9.009  -7.413
  253    HA   VAL  28           HA       VAL  28   5.613  10.900  -5.763
  254    HB   VAL  28           HB       VAL  28   2.850   9.780  -5.256
  255   1HG1  VAL  28          1HG1      VAL  28   4.226  12.296  -4.238
  256   2HG1  VAL  28          2HG1      VAL  28   2.539  11.842  -3.919
  257   3HG1  VAL  28          3HG1      VAL  28   3.848  10.849  -3.274
  258   1HG2  VAL  28          1HG2      VAL  28   2.784  10.907  -7.429
  259   2HG2  VAL  28          2HG2      VAL  28   1.984  11.903  -6.225
  260   3HG2  VAL  28          3HG2      VAL  28   3.633  12.315  -6.746
  261    H    GLY  29           H        GLY  29   4.458   7.537  -5.587
  262   1HA   GLY  29          1HA       GLY  29   6.620   7.012  -3.630
  263   2HA   GLY  29          2HA       GLY  29   5.026   6.275  -3.395
  264    HA   PRO  30           HA       PRO  30   7.804   3.632  -6.118
  265   1HB   PRO  30          2HB       PRO  30   8.001   1.372  -4.583
  266   2HB   PRO  30          3HB       PRO  30   8.983   2.830  -4.292
  267   1HG   PRO  30          2HG       PRO  30   6.394   2.033  -2.929
  268   2HG   PRO  30          3HG       PRO  30   7.943   2.537  -2.181
  269   1HD   PRO  30          2HD       PRO  30   5.913   4.296  -2.567
  270   2HD   PRO  30          3HD       PRO  30   7.607   4.789  -2.725
  271    H    ASN  31           H        ASN  31   7.308   1.020  -6.490
  272    HA   ASN  31           HA       ASN  31   4.554   0.923  -7.630
  273   1HB   ASN  31          2HB       ASN  31   6.678   0.367  -8.974
  274   2HB   ASN  31          3HB       ASN  31   6.821  -1.087  -7.976
  275   1HD2  ASN  31          2HD2      ASN  31   5.959  -0.281 -11.054
  276   2HD2  ASN  31          1HD2      ASN  31   4.680  -1.519 -11.153
  277    H    LEU  32           H        LEU  32   3.223  -1.005  -7.197
  278    HA   LEU  32           HA       LEU  32   3.634  -2.224  -4.505
  279   1HB   LEU  32          2HB       LEU  32   1.057  -1.561  -5.950
  280   2HB   LEU  32          3HB       LEU  32   1.186  -2.301  -4.366
  281    HG   LEU  32           HG       LEU  32   2.123   0.527  -5.065
  282   1HD1  LEU  32          1HD1      LEU  32  -0.293  -0.473  -3.512
  283   2HD1  LEU  32          2HD1      LEU  32   0.211   1.223  -3.643
  284   3HD1  LEU  32          3HD1      LEU  32  -0.298   0.337  -5.098
  285   1HD2  LEU  32          1HD2      LEU  32   3.475  -0.357  -3.224
  286   2HD2  LEU  32          2HD2      LEU  32   2.325   0.830  -2.604
  287   3HD2  LEU  32          3HD2      LEU  32   2.011  -0.907  -2.382
  288    H    HIS  33           H        HIS  33   3.832  -3.067  -7.716
  289    HA   HIS  33           HA       HIS  33   2.663  -5.731  -7.622
  290   1HB   HIS  33          2HB       HIS  33   2.988  -4.195  -9.647
  291   2HB   HIS  33          3HB       HIS  33   4.683  -4.659  -9.632
  292    HD1  HIS  33           HD1      HIS  33   1.156  -6.121 -10.092
  293    HD2  HIS  33           HD2      HIS  33   5.184  -7.309 -10.303
  294    HE1  HIS  33           HE1      HIS  33   1.142  -8.348 -11.216
  295    H    GLY  34           H        GLY  34   3.638  -6.415  -5.646
  296   1HA   GLY  34          1HA       GLY  34   5.101  -8.389  -5.276
  297   2HA   GLY  34          2HA       GLY  34   6.451  -7.468  -5.913
  298    H    ILE  35           H        ILE  35   4.480  -5.547  -3.709
  299    HA   ILE  35           HA       ILE  35   6.640  -5.613  -1.786
  300    HB   ILE  35           HB       ILE  35   5.570  -4.013  -0.547
  301   1HG1  ILE  35          2HG1      ILE  35   3.340  -4.835  -0.251
  302   2HG1  ILE  35          3HG1      ILE  35   3.359  -3.166  -0.762
  303   1HG2  ILE  35          1HG2      ILE  35   5.072  -3.409  -3.466
  304   2HG2  ILE  35          2HG2      ILE  35   5.099  -2.209  -2.153
  305   3HG2  ILE  35          3HG2      ILE  35   6.549  -3.142  -2.535
  306   1HD1  ILE  35          1HD1      ILE  35   2.694  -5.452  -2.638
  307   2HD1  ILE  35          2HD1      ILE  35   1.523  -4.440  -1.777
  308   3HD1  ILE  35          3HD1      ILE  35   2.604  -3.696  -2.955
  309    H    PHE  36           H        PHE  36   3.546  -7.379  -1.949
  310    HA   PHE  36           HA       PHE  36   3.444  -8.143   0.800
  311   1HB   PHE  36          2HB       PHE  36   2.334  -9.358  -1.738
  312   2HB   PHE  36          3HB       PHE  36   2.118 -10.102  -0.174
  313    HD1  PHE  36           HD1      PHE  36   0.910  -7.415  -2.366
  314    HD2  PHE  36           HD2      PHE  36   0.907  -8.928   1.680
  315    HE1  PHE  36           HE1      PHE  36  -1.150  -6.157  -1.905
  316    HE2  PHE  36           HE2      PHE  36  -1.131  -7.600   2.163
  317    HZ   PHE  36           HZ       PHE  36  -2.184  -6.239   0.375
  318    H    GLY  37           H        GLY  37   4.326  -9.663   1.823
  319   1HA   GLY  37          1HA       GLY  37   5.787 -11.348   2.543
  320   2HA   GLY  37          2HA       GLY  37   6.002 -11.869   0.868
  321    H    ARG  38           H        ARG  38   6.655  -8.696   0.656
  322    HA   ARG  38           HA       ARG  38   9.558  -8.943   1.158
  323   1HB   ARG  38          2HB       ARG  38   8.134  -7.639  -0.862
  324   2HB   ARG  38          3HB       ARG  38   8.376  -6.321   0.270
  325   1HG   ARG  38          2HG       ARG  38  10.192  -6.197  -1.218
  326   2HG   ARG  38          3HG       ARG  38  10.872  -6.955   0.228
  327   1HD   ARG  38          2HD       ARG  38  10.363  -9.219  -0.918
  328   2HD   ARG  38          3HD       ARG  38  10.019  -8.272  -2.386
  329    HE   ARG  38           HE       ARG  38  12.557  -7.541  -1.212
  330   1HH1  ARG  38          1HH2      ARG  38  11.226 -10.040  -3.255
  331   2HH1  ARG  38          2HH2      ARG  38  12.792 -10.414  -3.928
  332   1HH2  ARG  38          1HH1      ARG  38  14.401  -8.011  -2.021
  333   2HH2  ARG  38          2HH1      ARG  38  14.610  -9.257  -3.236
  334    H    HIS  39           H        HIS  39  10.440  -6.846   2.077
  335    HA   HIS  39           HA       HIS  39   9.040  -6.129   4.629
  336   1HB   HIS  39          2HB       HIS  39  12.004  -6.265   4.002
  337   2HB   HIS  39          3HB       HIS  39  11.309  -5.504   5.419
  338    HD1  HIS  39           HD1      HIS  39  10.855  -9.105   3.880
  339    HD2  HIS  39           HD2      HIS  39  11.174  -6.937   7.447
  340    HE1  HIS  39           HE1      HIS  39  10.844 -10.829   5.750
  341    H    SER  40           H        SER  40   8.565  -4.010   4.857
  342    HA   SER  40           HA       SER  40   8.356  -2.347   2.705
  343   1HB   SER  40          2HB       SER  40   7.638  -0.651   4.135
  344   2HB   SER  40          3HB       SER  40   7.192  -2.168   4.926
  345    HG   SER  40           HG       SER  40   8.666  -0.130   5.788
  346    H    GLY  41           H        GLY  41   9.300  -0.526   1.844
  347   1HA   GLY  41          1HA       GLY  41  11.075   0.981   1.417
  348   2HA   GLY  41          2HA       GLY  41  11.859   0.455   2.881
  349    H    GLN  42           H        GLN  42  11.380  -2.222   0.800
  350    HA   GLN  42           HA       GLN  42  14.242  -2.406   0.382
  351   1HB   GLN  42          2HB       GLN  42  11.882  -4.203  -0.030
  352   2HB   GLN  42          3HB       GLN  42  13.288  -4.526  -1.023
  353   1HG   GLN  42          2HG       GLN  42  14.697  -4.440   1.123
  354   2HG   GLN  42          3HG       GLN  42  13.164  -4.474   2.011
  355   1HE2  GLN  42          2HE2      GLN  42  13.537  -6.589   2.932
  356   2HE2  GLN  42          1HE2      GLN  42  13.758  -8.009   1.908
  357    H    ALA  43           H        ALA  43  12.205  -0.624  -1.672
  358    HA   ALA  43           HA       ALA  43  13.339  -1.609  -4.173
  359   1HB   ALA  43          1HB       ALA  43  11.852   1.002  -3.720
  360   2HB   ALA  43          2HB       ALA  43  12.196   0.206  -5.251
  361   3HB   ALA  43          3HB       ALA  43  11.105  -0.568  -4.088
  362    H    GLU  44           H        GLU  44  15.545  -1.620  -3.935
  363    HA   GLU  44           HA       GLU  44  17.359   0.170  -3.048
  364   1HB   GLU  44          2HB       GLU  44  17.636  -2.165  -3.847
  365   2HB   GLU  44          3HB       GLU  44  17.566  -1.594  -5.517
  366   1HG   GLU  44          2HG       GLU  44  19.667  -0.364  -5.215
  367   2HG   GLU  44          3HG       GLU  44  19.699  -0.790  -3.496
  368    H    GLY  45           H        GLY  45  15.526   0.732  -5.915
  369   1HA   GLY  45          1HA       GLY  45  17.372   2.831  -6.961
  370   2HA   GLY  45          2HA       GLY  45  16.038   2.103  -7.835
  371    H    TYR  46           H        TYR  46  15.045   2.995  -4.654
  372    HA   TYR  46           HA       TYR  46  14.306   5.774  -5.393
  373   1HB   TYR  46          2HB       TYR  46  12.564   4.154  -6.254
  374   2HB   TYR  46          3HB       TYR  46  12.155   3.798  -4.592
  375    HD1  TYR  46           HD1      TYR  46  11.841   6.144  -7.369
  376    HD2  TYR  46           HD2      TYR  46  11.349   5.770  -3.105
  377    HE1  TYR  46           HE1      TYR  46  10.194   8.017  -7.405
  378    HE2  TYR  46           HE2      TYR  46   9.733   7.668  -3.137
  379    HH   TYR  46           HH       TYR  46   8.537   9.140  -6.165
  380    H    SER  47           H        SER  47  14.663   7.072  -3.700
  381    HA   SER  47           HA       SER  47  15.375   6.049  -1.114
  382   1HB   SER  47          2HB       SER  47  14.631   8.889  -1.919
  383   2HB   SER  47          3HB       SER  47  15.457   8.396  -0.427
  384    HG   SER  47           HG       SER  47  16.991   9.039  -1.920
  385    H    TYR  48           H        TYR  48  14.193   5.677   0.667
  386    HA   TYR  48           HA       TYR  48  11.309   6.437   0.765
  387   1HB   TYR  48          2HB       TYR  48  12.966   4.308   2.194
  388   2HB   TYR  48          3HB       TYR  48  11.334   4.718   2.674
  389    HD1  TYR  48           HD1      TYR  48   9.437   3.877   1.595
  390    HD2  TYR  48           HD2      TYR  48  13.324   3.339  -0.191
  391    HE1  TYR  48           HE1      TYR  48   8.489   2.188   0.032
  392    HE2  TYR  48           HE2      TYR  48  12.371   1.730  -1.777
  393    HH   TYR  48           HH       TYR  48   9.115   0.371  -1.365
  394    H    THR  49           H        THR  49  10.525   6.914   3.055
  395    HA   THR  49           HA       THR  49  12.173   8.681   4.651
  396    HB   THR  49           HB       THR  49  10.598   8.213   6.510
  397    HG1  THR  49           1HG      THR  49   9.230   6.642   4.568
  398   1HG2  THR  49          1HG2      THR  49   9.133   8.824   3.927
  399   2HG2  THR  49          2HG2      THR  49   8.722   9.347   5.578
  400   3HG2  THR  49          3HG2      THR  49  10.166   9.987   4.792
  401    H    ASP  50           H        ASP  50  13.707   8.312   6.260
  402    HA   ASP  50           HA       ASP  50  14.809   5.824   6.801
  403   1HB   ASP  50          2HB       ASP  50  16.087   7.080   8.238
  404   2HB   ASP  50          3HB       ASP  50  15.686   8.242   7.009
  405    H    ALA  51           H        ALA  51  12.103   7.549   8.273
  406    HA   ALA  51           HA       ALA  51  11.481   5.869  10.451
  407   1HB   ALA  51          1HB       ALA  51   9.562   7.286   8.556
  408   2HB   ALA  51          2HB       ALA  51   9.209   6.748  10.210
  409   3HB   ALA  51          3HB       ALA  51  10.391   8.036   9.933
  410    H    ASN  52           H        ASN  52  10.592   5.345   6.969
  411    HA   ASN  52           HA       ASN  52   9.210   2.845   7.549
  412   1HB   ASN  52          2HB       ASN  52   8.549   4.174   5.640
  413   2HB   ASN  52          3HB       ASN  52  10.191   4.174   4.990
  414   1HD2  ASN  52          2HD2      ASN  52  10.401   2.757   3.267
  415   2HD2  ASN  52          1HD2      ASN  52   9.568   1.204   3.259
  416    H    ILE  53           H        ILE  53  12.529   3.689   6.608
  417    HA   ILE  53           HA       ILE  53  13.455   0.963   6.292
  418    HB   ILE  53           HB       ILE  53  14.911   3.468   7.090
  419   1HG1  ILE  53          2HG1      ILE  53  14.738   2.048   4.374
  420   2HG1  ILE  53          3HG1      ILE  53  13.767   3.445   4.802
  421   1HG2  ILE  53          1HG2      ILE  53  16.045   0.801   6.096
  422   2HG2  ILE  53          2HG2      ILE  53  17.001   2.267   6.408
  423   3HG2  ILE  53          3HG2      ILE  53  16.218   1.436   7.742
  424   1HD1  ILE  53          1HD1      ILE  53  16.782   3.416   4.465
  425   2HD1  ILE  53          2HD1      ILE  53  15.571   4.203   3.444
  426   3HD1  ILE  53          3HD1      ILE  53  15.853   4.801   5.088
  427    H    LYS  54           H        LYS  54  13.674   3.169   9.160
  428    HA   LYS  54           HA       LYS  54  14.028   1.114  11.138
  429   1HB   LYS  54          2HB       LYS  54  12.893   3.936  11.293
  430   2HB   LYS  54          3HB       LYS  54  13.289   2.932  12.699
  431   1HG   LYS  54          2HG       LYS  54  15.618   2.747  11.975
  432   2HG   LYS  54          3HG       LYS  54  15.332   3.729  10.556
  433   1HD   LYS  54          2HD       LYS  54  14.854   4.778  13.379
  434   2HD   LYS  54          3HD       LYS  54  16.392   4.934  12.502
  435   1HE   LYS  54          2HE       LYS  54  15.222   6.039  10.617
  436   2HE   LYS  54          3HE       LYS  54  13.695   5.964  11.488
  437   1HZ   LYS  54          1HZ       LYS  54  16.103   7.415  12.436
  438   2HZ   LYS  54          2HZ       LYS  54  14.926   8.081  11.578
  439   3HZ   LYS  54          3HZ       LYS  54  14.578   7.513  13.102
  440    H    LYS  55           H        LYS  55  11.711   0.933   9.119
  441    HA   LYS  55           HA       LYS  55   9.922  -0.361  11.111
  442   1HB   LYS  55          2HB       LYS  55   8.773   1.585   9.850
  443   2HB   LYS  55          3HB       LYS  55   8.879   0.558   8.425
  444   1HG   LYS  55          2HG       LYS  55   6.780   0.082   9.136
  445   2HG   LYS  55          3HG       LYS  55   7.668  -1.239   9.873
  446   1HD   LYS  55          2HD       LYS  55   6.792   1.321  11.310
  447   2HD   LYS  55          3HD       LYS  55   5.899  -0.187  11.280
  448   1HE   LYS  55          2HE       LYS  55   6.894  -0.463  13.270
  449   2HE   LYS  55          3HE       LYS  55   8.107  -1.253  12.260
  450   1HZ   LYS  55          1HZ       LYS  55   8.252   1.583  13.145
  451   2HZ   LYS  55          2HZ       LYS  55   9.040   0.347  13.895
  452   3HZ   LYS  55          3HZ       LYS  55   9.453   0.773  12.376
  453    H    ASN  56           H        ASN  56  10.951  -0.700   7.714
  454    HA   ASN  56           HA       ASN  56  10.884  -2.603   6.360
  455   1HB   ASN  56          2HB       ASN  56  12.644  -3.486   8.654
  456   2HB   ASN  56          3HB       ASN  56  12.494  -4.353   7.139
  457   1HD2  ASN  56          2HD2      ASN  56  12.491  -1.852   5.315
  458   2HD2  ASN  56          1HD2      ASN  56  14.175  -1.381   5.559
  459    H    VAL  57           H        VAL  57   8.459  -2.433   7.376
  460    HA   VAL  57           HA       VAL  57   7.779  -4.776   8.972
  461    HB   VAL  57           HB       VAL  57   6.445  -2.367   8.219
  462   1HG1  VAL  57          1HG1      VAL  57   4.719  -4.778   7.561
  463   2HG1  VAL  57          2HG1      VAL  57   4.132  -3.130   7.844
  464   3HG1  VAL  57          3HG1      VAL  57   5.200  -3.459   6.482
  465   1HG2  VAL  57          1HG2      VAL  57   6.744  -3.356  10.469
  466   2HG2  VAL  57          2HG2      VAL  57   5.062  -2.944  10.138
  467   3HG2  VAL  57          3HG2      VAL  57   5.589  -4.635  10.060
  468    H    LEU  58           H        LEU  58   7.323  -6.792   8.380
  469    HA   LEU  58           HA       LEU  58   7.520  -7.581   5.630
  470   1HB   LEU  58          2HB       LEU  58   8.171  -8.971   7.593
  471   2HB   LEU  58          3HB       LEU  58   6.467  -9.281   7.916
  472    HG   LEU  58           HG       LEU  58   7.859  -9.931   5.261
  473   1HD1  LEU  58          1HD1      LEU  58   7.255 -11.800   7.590
  474   2HD1  LEU  58          2HD1      LEU  58   8.026 -12.233   6.048
  475   3HD1  LEU  58          3HD1      LEU  58   8.864 -11.168   7.192
  476   1HD2  LEU  58          1HD2      LEU  58   5.447  -9.940   4.928
  477   2HD2  LEU  58          2HD2      LEU  58   5.958 -11.612   5.060
  478   3HD2  LEU  58          3HD2      LEU  58   5.179 -10.820   6.446
  479    H    TRP  59           H        TRP  59   6.026  -6.810   4.286
  480    HA   TRP  59           HA       TRP  59   3.322  -6.151   4.833
  481   1HB   TRP  59          2HB       TRP  59   4.763  -6.770   2.275
  482   2HB   TRP  59          3HB       TRP  59   3.137  -6.094   2.329
  483    HD1  TRP  59           HD1      TRP  59   6.306  -4.904   1.488
  484    HE1  TRP  59           HE1      TRP  59   6.542  -2.320   1.881
  485    HE3  TRP  59           HE3      TRP  59   2.507  -4.203   4.834
  486    HZ2  TRP  59           HZ2      TRP  59   5.513  -0.413   3.703
  487    HZ3  TRP  59           HZ3      TRP  59   2.199  -2.054   5.942
  488    HH2  TRP  59           HH2      TRP  59   3.749  -0.130   5.439
  489    H    ASP  60           H        ASP  60   1.981  -7.590   5.624
  490    HA   ASP  60           HA       ASP  60   1.249 -10.010   4.025
  491   1HB   ASP  60          2HB       ASP  60   2.374 -10.566   6.152
  492   2HB   ASP  60          3HB       ASP  60   1.171  -9.630   7.049
  493    H    GLU  61           H        GLU  61  -1.036 -10.595   4.567
  494    HA   GLU  61           HA       GLU  61  -2.791  -8.559   3.559
  495   1HB   GLU  61          2HB       GLU  61  -3.322 -11.239   4.868
  496   2HB   GLU  61          3HB       GLU  61  -4.647 -10.192   4.304
  497   1HG   GLU  61          2HG       GLU  61  -3.809 -10.197   2.042
  498   2HG   GLU  61          3HG       GLU  61  -2.330 -11.019   2.512
  499    H    ASN  62           H        ASN  62  -2.657  -9.820   6.891
  500    HA   ASN  62           HA       ASN  62  -4.265  -7.818   8.147
  501   1HB   ASN  62          2HB       ASN  62  -3.061  -8.682  10.210
  502   2HB   ASN  62          3HB       ASN  62  -3.948  -9.872   9.272
  503   1HD2  ASN  62          2HD2      ASN  62  -2.844 -11.739   8.623
  504   2HD2  ASN  62          1HD2      ASN  62  -1.070 -11.737   8.443
  505    H    ASN  63           H        ASN  63  -0.681  -8.080   8.234
  506    HA   ASN  63           HA       ASN  63  -0.159  -5.710   9.534
  507   1HB   ASN  63          2HB       ASN  63   1.307  -7.712   9.097
  508   2HB   ASN  63          3HB       ASN  63   1.623  -7.094   7.475
  509   1HD2  ASN  63          2HD2      ASN  63   3.837  -7.489   8.670
  510   2HD2  ASN  63          1HD2      ASN  63   4.458  -6.044   9.471
  511    H    MET  64           H        MET  64  -0.318  -6.054   5.972
  512    HA   MET  64           HA       MET  64   0.405  -3.260   5.482
  513   1HB   MET  64          2HB       MET  64   0.679  -5.203   3.836
  514   2HB   MET  64          3HB       MET  64  -1.062  -5.125   3.606
  515   1HG   MET  64          2HG       MET  64  -0.912  -2.852   2.760
  516   2HG   MET  64          3HG       MET  64   0.789  -2.747   3.221
  517   1HE   MET  64          1HE       MET  64  -0.769  -2.227   0.312
  518   2HE   MET  64          2HE       MET  64  -0.559  -3.554  -0.854
  519   3HE   MET  64          3HE       MET  64  -1.733  -3.721   0.475
  520    H    SER  65           H        SER  65  -2.654  -5.001   6.061
  521    HA   SER  65           HA       SER  65  -4.359  -2.803   5.353
  522   1HB   SER  65          2HB       SER  65  -6.138  -3.951   6.262
  523   2HB   SER  65          3HB       SER  65  -5.069  -5.209   5.647
  524    HG   SER  65           HG       SER  65  -4.320  -5.407   7.891
  525    H    GLU  66           H        GLU  66  -2.678  -3.514   8.428
  526    HA   GLU  66           HA       GLU  66  -3.925  -1.419   9.973
  527   1HB   GLU  66          2HB       GLU  66  -2.650  -3.312  10.940
  528   2HB   GLU  66          3HB       GLU  66  -1.174  -2.714  10.195
  529   1HG   GLU  66          2HG       GLU  66  -1.175  -2.103  12.521
  530   2HG   GLU  66          3HG       GLU  66  -1.310  -0.636  11.552
  531    H    TYR  67           H        TYR  67  -0.749  -1.498   8.289
  532    HA   TYR  67           HA       TYR  67  -0.158   1.254   8.472
  533   1HB   TYR  67          2HB       TYR  67   1.425  -0.412   7.594
  534   2HB   TYR  67          3HB       TYR  67   0.405  -0.648   6.176
  535    HD1  TYR  67           HD1      TYR  67   1.181   0.405   4.198
  536    HD2  TYR  67           HD2      TYR  67   1.856   2.257   8.001
  537    HE1  TYR  67           HE1      TYR  67   2.429   2.233   3.091
  538    HE2  TYR  67           HE2      TYR  67   3.084   4.137   6.891
  539    HH   TYR  67           HH       TYR  67   3.899   3.948   3.455
  540    H    LEU  68           H        LEU  68  -2.182  -0.349   5.991
  541    HA   LEU  68           HA       LEU  68  -2.739   2.103   4.552
  542   1HB   LEU  68          2HB       LEU  68  -4.088  -0.618   4.713
  543   2HB   LEU  68          3HB       LEU  68  -4.679   0.653   3.664
  544    HG   LEU  68           HG       LEU  68  -1.880  -0.493   3.426
  545   1HD1  LEU  68          1HD1      LEU  68  -4.443  -0.985   1.838
  546   2HD1  LEU  68          2HD1      LEU  68  -2.826  -1.570   1.396
  547   3HD1  LEU  68          3HD1      LEU  68  -3.600  -2.158   2.875
  548   1HD2  LEU  68          1HD2      LEU  68  -1.942   1.758   2.559
  549   2HD2  LEU  68          2HD2      LEU  68  -1.972   0.614   1.224
  550   3HD2  LEU  68          3HD2      LEU  68  -3.472   1.440   1.705
  551    H    THR  69           H        THR  69  -4.114   0.816   7.495
  552    HA   THR  69           HA       THR  69  -6.560   2.400   7.479
  553    HB   THR  69           HB       THR  69  -5.216   0.998   9.745
  554    HG1  THR  69           1HG      THR  69  -5.872  -0.461   8.292
  555   1HG2  THR  69          1HG2      THR  69  -8.057   2.082   9.460
  556   2HG2  THR  69          2HG2      THR  69  -7.433   1.098  10.808
  557   3HG2  THR  69          3HG2      THR  69  -6.806   2.728  10.557
  558    H    ASN  70           H        ASN  70  -3.484   2.726   9.337
  559    HA   ASN  70           HA       ASN  70  -3.846   5.671   9.123
  560   1HB   ASN  70          2HB       ASN  70  -4.905   4.786  11.244
  561   2HB   ASN  70          3HB       ASN  70  -3.273   4.442  11.819
  562   1HD2  ASN  70          2HD2      ASN  70  -5.258   6.352  12.874
  563   2HD2  ASN  70          1HD2      ASN  70  -4.483   7.939  12.739
  564    HA   PRO  71           HA       PRO  71   0.433   4.221   8.142
  565   1HB   PRO  71          2HB       PRO  71   0.980   6.056   6.149
  566   2HB   PRO  71          3HB       PRO  71   0.072   4.548   5.879
  567   1HG   PRO  71          2HG       PRO  71  -1.042   7.320   6.362
  568   2HG   PRO  71          3HG       PRO  71  -1.514   6.145   5.104
  569   1HD   PRO  71          2HD       PRO  71  -2.940   6.411   7.379
  570   2HD   PRO  71          3HD       PRO  71  -2.683   4.796   6.654
  571    H    LYS  72           H        LYS  72  -0.801   7.399   8.582
  572    HA   LYS  72           HA       LYS  72   1.513   8.782   9.618
  573   1HB   LYS  72          2HB       LYS  72  -0.669   9.561   8.367
  574   2HB   LYS  72          3HB       LYS  72  -1.379   9.633   9.974
  575   1HG   LYS  72          2HG       LYS  72   0.219  11.328  10.665
  576   2HG   LYS  72          3HG       LYS  72   1.217  11.081   9.220
  577   1HD   LYS  72          2HD       LYS  72  -1.690  11.967   9.077
  578   2HD   LYS  72          3HD       LYS  72  -0.359  13.127   9.225
  579   1HE   LYS  72          2HE       LYS  72   0.471  12.734   7.108
  580   2HE   LYS  72          3HE       LYS  72  -0.108  11.072   7.044
  581   1HZ   LYS  72          1HZ       LYS  72  -2.013  13.333   6.955
  582   2HZ   LYS  72          2HZ       LYS  72  -1.359  12.668   5.603
  583   3HZ   LYS  72          3HZ       LYS  72  -2.247  11.736   6.522
  584    H    LYS  73           H        LYS  73  -0.058   6.356  11.088
  585    HA   LYS  73           HA       LYS  73   0.980   7.281  13.744
  586   1HB   LYS  73          2HB       LYS  73  -1.580   5.946  13.156
  587   2HB   LYS  73          3HB       LYS  73  -0.587   4.966  14.207
  588   1HG   LYS  73          2HG       LYS  73  -2.088   6.366  15.478
  589   2HG   LYS  73          3HG       LYS  73  -0.410   6.721  15.865
  590   1HD   LYS  73          2HD       LYS  73  -1.664   8.426  13.734
  591   2HD   LYS  73          3HD       LYS  73  -2.329   8.599  15.364
  592   1HE   LYS  73          2HE       LYS  73  -0.164   9.132  16.310
  593   2HE   LYS  73          3HE       LYS  73   0.656   8.789  14.788
  594   1HZ   LYS  73          1HZ       LYS  73  -1.331  10.948  15.076
  595   2HZ   LYS  73          2HZ       LYS  73   0.301  11.164  15.150
  596   3HZ   LYS  73          3HZ       LYS  73  -0.382  10.606  13.760
  597    H    TYR  74           H        TYR  74   0.515   4.403  11.731
  598    HA   TYR  74           HA       TYR  74   2.321   2.719  13.038
  599   1HB   TYR  74          2HB       TYR  74   0.489   2.399  11.184
  600   2HB   TYR  74          3HB       TYR  74   1.792   2.697  10.064
  601    HD1  TYR  74           HD1      TYR  74   0.866   0.608  13.044
  602    HD2  TYR  74           HD2      TYR  74   2.986   0.758   9.284
  603    HE1  TYR  74           HE1      TYR  74   1.380  -1.825  13.225
  604    HE2  TYR  74           HE2      TYR  74   3.376  -1.683   9.419
  605    HH   TYR  74           HH       TYR  74   2.574  -3.704  10.612
  606    H    ILE  75           H        ILE  75   2.982   5.071  10.487
  607    HA   ILE  75           HA       ILE  75   5.899   4.879  11.063
  608    HB   ILE  75           HB       ILE  75   4.758   5.228   8.286
  609   1HG1  ILE  75          2HG1      ILE  75   6.167   2.854   9.563
  610   2HG1  ILE  75          3HG1      ILE  75   4.498   2.908   8.985
  611   1HG2  ILE  75          1HG2      ILE  75   7.645   4.942   9.261
  612   2HG2  ILE  75          2HG2      ILE  75   7.129   5.225   7.585
  613   3HG2  ILE  75          3HG2      ILE  75   6.909   6.487   8.782
  614   1HD1  ILE  75          1HD1      ILE  75   7.019   2.917   7.307
  615   2HD1  ILE  75          2HD1      ILE  75   5.717   1.723   7.343
  616   3HD1  ILE  75          3HD1      ILE  75   5.425   3.328   6.647
  617    HA   PRO  76           HA       PRO  76   4.302   9.141  11.834
  618   1HB   PRO  76          2HB       PRO  76   6.155   9.893  13.716
  619   2HB   PRO  76          3HB       PRO  76   4.705   8.905  14.088
  620   1HG   PRO  76          2HG       PRO  76   7.537   7.947  13.571
  621   2HG   PRO  76          3HG       PRO  76   6.428   7.468  14.892
  622   1HD   PRO  76          2HD       PRO  76   6.744   5.976  12.645
  623   2HD   PRO  76          3HD       PRO  76   5.152   6.097  13.450
  624    H    GLY  77           H        GLY  77   4.844  10.804  10.510
  625   1HA   GLY  77          1HA       GLY  77   6.237  12.288   9.291
  626   2HA   GLY  77          2HA       GLY  77   7.645  11.342   9.741
  627    H    THR  78           H        THR  78   5.461   9.078   8.565
  628    HA   THR  78           HA       THR  78   6.786   8.432   6.253
  629    HB   THR  78           HB       THR  78   5.142   6.985   7.165
  630    HG1  THR  78           1HG      THR  78   4.244   6.331   5.214
  631   1HG2  THR  78          1HG2      THR  78   2.941   8.761   6.034
  632   2HG2  THR  78          2HG2      THR  78   2.767   7.224   6.906
  633   3HG2  THR  78          3HG2      THR  78   3.351   8.657   7.755
  634    H    LYS  79           H        LYS  79   6.975   9.046   4.232
  635    HA   LYS  79           HA       LYS  79   5.871  11.490   3.190
  636   1HB   LYS  79          2HB       LYS  79   7.299   9.099   2.033
  637   2HB   LYS  79          3HB       LYS  79   6.663  10.330   0.964
  638   1HG   LYS  79          2HG       LYS  79   8.249  11.524   3.157
  639   2HG   LYS  79          3HG       LYS  79   9.170  10.351   2.209
  640   1HD   LYS  79          2HD       LYS  79   9.420  12.565   1.233
  641   2HD   LYS  79          3HD       LYS  79   8.596  11.451   0.132
  642   1HE   LYS  79          2HE       LYS  79   6.391  12.470   1.237
  643   2HE   LYS  79          3HE       LYS  79   7.466  13.794   1.701
  644   1HZ   LYS  79          1HZ       LYS  79   7.007  12.771  -1.047
  645   2HZ   LYS  79          2HZ       LYS  79   6.420  14.188  -0.455
  646   3HZ   LYS  79          3HZ       LYS  79   8.048  13.991  -0.675
  647    H    MET  80           H        MET  80   4.370   8.392   3.585
  648    HA   MET  80           HA       MET  80   2.272   8.823   1.630
  649   1HB   MET  80          2HB       MET  80   2.872   6.585   2.497
  650   2HB   MET  80          3HB       MET  80   2.323   7.049   4.104
  651   1HG   MET  80          2HG       MET  80   0.151   6.987   3.556
  652   2HG   MET  80          3HG       MET  80   0.380   7.566   1.910
  653   1HE   MET  80          1HE       MET  80  -1.781   5.850   1.561
  654   2HE   MET  80          2HE       MET  80  -1.638   4.094   1.795
  655   3HE   MET  80          3HE       MET  80  -1.589   5.174   3.194
  656    H    ALA  81           H        ALA  81   2.178  11.087   2.151
  657    HA   ALA  81           HA       ALA  81   0.996  12.209   4.417
  658   1HB   ALA  81          1HB       ALA  81   0.836  13.118   1.502
  659   2HB   ALA  81          2HB       ALA  81   0.586  14.156   2.920
  660   3HB   ALA  81          3HB       ALA  81   2.185  13.450   2.616
  661    H    PHE  82           H        PHE  82  -0.443  10.006   2.834
  662    HA   PHE  82           HA       PHE  82  -3.168  10.635   2.224
  663   1HB   PHE  82          2HB       PHE  82  -1.845   8.586   1.589
  664   2HB   PHE  82          3HB       PHE  82  -1.933   8.051   3.260
  665    HD1  PHE  82           HD1      PHE  82  -3.782   6.710   3.967
  666    HD2  PHE  82           HD2      PHE  82  -4.019   8.932   0.283
  667    HE1  PHE  82           HE1      PHE  82  -5.830   5.475   3.357
  668    HE2  PHE  82           HE2      PHE  82  -6.064   7.676  -0.344
  669    HZ   PHE  82           HZ       PHE  82  -6.968   5.932   1.180
  670    H    GLY  83           H        GLY  83  -5.057   9.925   3.422
  671   1HA   GLY  83          1HA       GLY  83  -4.988  10.787   6.266
  672   2HA   GLY  83          2HA       GLY  83  -6.424  10.580   5.258
  673    H    GLY  84           H        GLY  84  -7.087   8.362   4.756
  674   1HA   GLY  84          1HA       GLY  84  -6.354   5.915   5.759
  675   2HA   GLY  84          2HA       GLY  84  -7.007   6.737   7.174
  676    H    LEU  85           H        LEU  85  -7.915   4.558   4.970
  677    HA   LEU  85           HA       LEU  85 -10.689   5.520   4.533
  678   1HB   LEU  85          2HB       LEU  85  -9.332   2.891   3.844
  679   2HB   LEU  85          3HB       LEU  85 -10.976   3.329   3.438
  680    HG   LEU  85           HG       LEU  85  -8.495   4.790   2.424
  681   1HD1  LEU  85          1HD1      LEU  85 -10.328   2.763   1.106
  682   2HD1  LEU  85          2HD1      LEU  85  -9.107   3.730   0.243
  683   3HD1  LEU  85          3HD1      LEU  85  -8.612   2.566   1.473
  684   1HD2  LEU  85          1HD2      LEU  85 -10.442   6.294   2.464
  685   2HD2  LEU  85          2HD2      LEU  85 -10.091   5.816   0.803
  686   3HD2  LEU  85          3HD2      LEU  85 -11.443   5.049   1.670
  687    H    LYS  86           H        LYS  86 -11.179   5.796   6.656
  688    HA   LYS  86           HA       LYS  86 -10.701   4.169   8.850
  689   1HB   LYS  86          2HB       LYS  86 -11.743   6.680   8.339
  690   2HB   LYS  86          3HB       LYS  86 -13.133   5.895   9.034
  691   1HG   LYS  86          2HG       LYS  86 -10.334   6.070  10.262
  692   2HG   LYS  86          3HG       LYS  86 -11.661   7.159  10.642
  693   1HD   LYS  86          2HD       LYS  86 -11.627   4.174  11.224
  694   2HD   LYS  86          3HD       LYS  86 -11.275   5.439  12.391
  695   1HE   LYS  86          2HE       LYS  86 -13.452   6.069  12.670
  696   2HE   LYS  86          3HE       LYS  86 -13.848   5.835  10.964
  697   1HZ   LYS  86          1HZ       LYS  86 -13.541   3.622  12.897
  698   2HZ   LYS  86          2HZ       LYS  86 -14.982   4.208  12.335
  699   3HZ   LYS  86          3HZ       LYS  86 -13.921   3.490  11.297
  700    H    LYS  87           H        LYS  87 -12.178   2.587   6.754
  701    HA   LYS  87           HA       LYS  87 -14.456   1.371   8.286
  702   1HB   LYS  87          2HB       LYS  87 -14.361   2.308   5.403
  703   2HB   LYS  87          3HB       LYS  87 -15.642   1.279   6.037
  704   1HG   LYS  87          2HG       LYS  87 -16.655   3.014   7.223
  705   2HG   LYS  87          3HG       LYS  87 -15.152   3.918   7.418
  706   1HD   LYS  87          2HD       LYS  87 -16.506   5.144   5.862
  707   2HD   LYS  87          3HD       LYS  87 -15.129   4.453   5.000
  708   1HE   LYS  87          2HE       LYS  87 -16.884   2.453   4.579
  709   2HE   LYS  87          3HE       LYS  87 -18.062   3.748   4.845
  710   1HZ   LYS  87          1HZ       LYS  87 -15.903   3.581   2.827
  711   2HZ   LYS  87          2HZ       LYS  87 -17.489   3.609   2.515
  712   3HZ   LYS  87          3HZ       LYS  87 -16.727   4.978   3.056
  713    H    GLU  88           H        GLU  88 -13.995  -0.767   8.493
  714    HA   GLU  88           HA       GLU  88 -11.886  -2.062   7.166
  715   1HB   GLU  88          2HB       GLU  88 -13.399  -2.678   9.321
  716   2HB   GLU  88          3HB       GLU  88 -14.152  -3.760   8.140
  717   1HG   GLU  88          2HG       GLU  88 -11.667  -4.421   7.547
  718   2HG   GLU  88          3HG       GLU  88 -11.254  -3.632   9.051
  719    H    LYS  89           H        LYS  89 -15.228  -1.761   6.100
  720    HA   LYS  89           HA       LYS  89 -15.433  -3.799   4.137
  721   1HB   LYS  89          2HB       LYS  89 -16.499  -0.965   4.277
  722   2HB   LYS  89          3HB       LYS  89 -16.994  -2.105   3.043
  723   1HG   LYS  89          2HG       LYS  89 -17.281  -2.795   5.986
  724   2HG   LYS  89          3HG       LYS  89 -18.436  -1.739   5.197
  725   1HD   LYS  89          2HD       LYS  89 -17.784  -4.496   4.074
  726   2HD   LYS  89          3HD       LYS  89 -18.987  -4.253   5.353
  727   1HE   LYS  89          2HE       LYS  89 -20.194  -2.616   3.916
  728   2HE   LYS  89          3HE       LYS  89 -19.052  -2.929   2.606
  729   1HZ   LYS  89          1HZ       LYS  89 -20.806  -4.990   3.831
  730   2HZ   LYS  89          2HZ       LYS  89 -21.129  -4.224   2.417
  731   3HZ   LYS  89          3HZ       LYS  89 -19.818  -5.210   2.532
  732    H    ASP  90           H        ASP  90 -14.507  -0.415   3.610
  733    HA   ASP  90           HA       ASP  90 -13.655  -0.446   0.993
  734   1HB   ASP  90          2HB       ASP  90 -12.484   1.181   3.307
  735   2HB   ASP  90          3HB       ASP  90 -12.492   1.584   1.604
  736    H    ARG  91           H        ARG  91 -11.822  -1.088   3.965
  737    HA   ARG  91           HA       ARG  91  -9.298  -1.560   2.586
  738   1HB   ARG  91          2HB       ARG  91 -10.060  -2.603   5.348
  739   2HB   ARG  91          3HB       ARG  91  -8.445  -2.310   4.741
  740   1HG   ARG  91          2HG       ARG  91  -9.935   0.231   4.730
  741   2HG   ARG  91          3HG       ARG  91 -10.194  -0.600   6.242
  742   1HD   ARG  91          2HD       ARG  91  -8.398   0.439   6.908
  743   2HD   ARG  91          3HD       ARG  91  -7.510  -0.884   6.169
  744    HE   ARG  91           HE       ARG  91  -6.894   1.625   5.694
  745   1HH1  ARG  91          1HH2      ARG  91  -8.404  -0.416   3.370
  746   2HH1  ARG  91          2HH2      ARG  91  -7.820   0.508   1.995
  747   1HH2  ARG  91          1HH1      ARG  91  -6.082   2.689   3.994
  748   2HH2  ARG  91          2HH1      ARG  91  -6.595   2.285   2.363
  749    H    ASN  92           H        ASN  92 -11.835  -3.761   3.654
  750    HA   ASN  92           HA       ASN  92 -10.288  -6.147   2.925
  751   1HB   ASN  92          2HB       ASN  92 -13.231  -5.721   3.510
  752   2HB   ASN  92          3HB       ASN  92 -12.591  -7.251   2.936
  753   1HD2  ASN  92          2HD2      ASN  92 -13.050  -5.327   5.675
  754   2HD2  ASN  92          1HD2      ASN  92 -12.434  -6.499   6.845
  755    H    ASP  93           H        ASP  93 -12.821  -4.252   1.184
  756    HA   ASP  93           HA       ASP  93 -12.696  -5.694  -1.299
  757   1HB   ASP  93          2HB       ASP  93 -13.536  -2.925  -0.463
  758   2HB   ASP  93          3HB       ASP  93 -13.064  -3.115  -2.136
  759    H    LEU  94           H        LEU  94 -10.749  -2.842  -0.233
  760    HA   LEU  94           HA       LEU  94  -9.143  -2.715  -2.545
  761   1HB   LEU  94          2HB       LEU  94  -9.388  -0.945  -0.818
  762   2HB   LEU  94          3HB       LEU  94  -8.430  -1.921   0.302
  763    HG   LEU  94           HG       LEU  94  -6.496  -1.764  -1.310
  764   1HD1  LEU  94          1HD1      LEU  94  -8.354   0.188  -2.744
  765   2HD1  LEU  94          2HD1      LEU  94  -6.607   0.038  -3.036
  766   3HD1  LEU  94          3HD1      LEU  94  -7.680  -1.314  -3.411
  767   1HD2  LEU  94          1HD2      LEU  94  -6.611  -0.269   0.581
  768   2HD2  LEU  94          2HD2      LEU  94  -6.023   0.610  -0.837
  769   3HD2  LEU  94          3HD2      LEU  94  -7.704   0.843  -0.315
  770    H    ILE  95           H        ILE  95  -8.432  -4.502   0.501
  771    HA   ILE  95           HA       ILE  95  -5.960  -5.685  -0.331
  772    HB   ILE  95           HB       ILE  95  -8.117  -6.747   1.513
  773   1HG1  ILE  95          2HG1      ILE  95  -5.421  -5.634   2.380
  774   2HG1  ILE  95          3HG1      ILE  95  -6.761  -4.544   2.075
  775   1HG2  ILE  95          1HG2      ILE  95  -5.249  -7.732   1.104
  776   2HG2  ILE  95          2HG2      ILE  95  -6.311  -8.252   2.423
  777   3HG2  ILE  95          3HG2      ILE  95  -6.733  -8.647   0.771
  778   1HD1  ILE  95          1HD1      ILE  95  -6.634  -6.735   4.170
  779   2HD1  ILE  95          2HD1      ILE  95  -6.888  -4.987   4.374
  780   3HD1  ILE  95          3HD1      ILE  95  -8.167  -5.976   3.684
  781    H    THR  96           H        THR  96  -9.323  -6.893  -0.703
  782    HA   THR  96           HA       THR  96  -8.745  -9.320  -2.005
  783    HB   THR  96           HB       THR  96 -11.171  -7.597  -2.686
  784    HG1  THR  96           1HG      THR  96 -10.995  -7.841  -0.447
  785   1HG2  THR  96          1HG2      THR  96 -10.737 -10.623  -2.596
  786   2HG2  THR  96          2HG2      THR  96 -12.283  -9.810  -2.910
  787   3HG2  THR  96          3HG2      THR  96 -10.952  -9.648  -4.067
  788    H    TYR  97           H        TYR  97  -8.890  -6.090  -3.439
  789    HA   TYR  97           HA       TYR  97  -8.246  -7.009  -6.160
  790   1HB   TYR  97          2HB       TYR  97  -9.367  -4.947  -5.918
  791   2HB   TYR  97          3HB       TYR  97  -8.205  -4.322  -4.762
  792    HD1  TYR  97           HD1      TYR  97  -6.534  -2.855  -5.514
  793    HD2  TYR  97           HD2      TYR  97  -8.345  -5.610  -8.300
  794    HE1  TYR  97           HE1      TYR  97  -5.312  -1.778  -7.381
  795    HE2  TYR  97           HE2      TYR  97  -7.124  -4.503 -10.175
  796    HH   TYR  97           HH       TYR  97  -4.741  -1.975  -9.594
  797    H    LEU  98           H        LEU  98  -6.277  -5.295  -3.652
  798    HA   LEU  98           HA       LEU  98  -3.972  -5.259  -5.273
  799   1HB   LEU  98          2HB       LEU  98  -4.839  -4.385  -2.636
  800   2HB   LEU  98          3HB       LEU  98  -3.252  -5.040  -2.492
  801    HG   LEU  98           HG       LEU  98  -3.907  -3.038  -4.695
  802   1HD1  LEU  98          1HD1      LEU  98  -2.940  -2.404  -1.881
  803   2HD1  LEU  98          2HD1      LEU  98  -3.057  -1.264  -3.245
  804   3HD1  LEU  98          3HD1      LEU  98  -4.529  -1.986  -2.578
  805   1HD2  LEU  98          1HD2      LEU  98  -1.757  -4.293  -4.876
  806   2HD2  LEU  98          2HD2      LEU  98  -1.480  -2.576  -4.575
  807   3HD2  LEU  98          3HD2      LEU  98  -1.305  -3.754  -3.250
  808    H    LYS  99           H        LYS  99  -5.006  -7.705  -3.031
  809    HA   LYS  99           HA       LYS  99  -2.587  -9.302  -3.046
  810   1HB   LYS  99          2HB       LYS  99  -4.522  -9.721  -1.562
  811   2HB   LYS  99          3HB       LYS  99  -5.495 -10.245  -2.948
  812   1HG   LYS  99          2HG       LYS  99  -4.010 -12.141  -3.345
  813   2HG   LYS  99          3HG       LYS  99  -2.851 -11.536  -2.146
  814   1HD   LYS  99          2HD       LYS  99  -4.654 -11.781  -0.391
  815   2HD   LYS  99          3HD       LYS  99  -5.646 -12.613  -1.609
  816   1HE   LYS  99          2HE       LYS  99  -3.951 -14.372  -1.852
  817   2HE   LYS  99          3HE       LYS  99  -2.830 -13.464  -0.828
  818   1HZ   LYS  99          1HZ       LYS  99  -5.310 -14.828   0.049
  819   2HZ   LYS  99          2HZ       LYS  99  -3.746 -14.990   0.635
  820   3HZ   LYS  99          3HZ       LYS  99  -4.581 -13.694   0.983
  821    H    LYS 100           H        LYS 100  -5.371  -9.349  -5.256
  822    HA   LYS 100           HA       LYS 100  -4.184 -11.303  -7.060
  823   1HB   LYS 100          2HB       LYS 100  -6.689 -10.700  -6.494
  824   2HB   LYS 100          3HB       LYS 100  -6.519  -9.504  -7.755
  825   1HG   LYS 100          2HG       LYS 100  -7.570 -11.523  -8.598
  826   2HG   LYS 100          3HG       LYS 100  -6.041 -11.261  -9.426
  827   1HD   LYS 100          2HD       LYS 100  -6.048 -13.093  -7.016
  828   2HD   LYS 100          3HD       LYS 100  -6.820 -13.668  -8.499
  829   1HE   LYS 100          2HE       LYS 100  -4.772 -13.340  -9.800
  830   2HE   LYS 100          3HE       LYS 100  -3.988 -12.566  -8.447
  831   1HZ   LYS 100          1HZ       LYS 100  -4.700 -15.436  -8.567
  832   2HZ   LYS 100          2HZ       LYS 100  -3.213 -14.732  -8.500
  833   3HZ   LYS 100          3HZ       LYS 100  -4.177 -14.662  -7.202
  834    H    ALA 101           H        ALA 101  -3.648  -8.157  -6.674
  835    HA   ALA 101           HA       ALA 101  -2.663  -7.521  -9.404
  836   1HB   ALA 101          1HB       ALA 101  -2.347  -5.941  -6.826
  837   2HB   ALA 101          2HB       ALA 101  -1.908  -5.414  -8.446
  838   3HB   ALA 101          3HB       ALA 101  -3.621  -5.688  -8.049
  839    H    THR 102           H        THR 102  -1.428  -9.282  -6.734
  840    HA   THR 102           HA       THR 102   1.338  -9.086  -7.850
  841    HB   THR 102           HB       THR 102   1.130  -7.785  -5.751
  842    HG1  THR 102           1HG      THR 102   2.727 -10.084  -5.887
  843   1HG2  THR 102          1HG2      THR 102   0.518 -10.511  -4.511
  844   2HG2  THR 102          2HG2      THR 102   1.223  -9.163  -3.625
  845   3HG2  THR 102          3HG2      THR 102  -0.377  -8.979  -4.345
  846    H    GLU 103           H        GLU 103  -1.203 -11.214  -7.282
  847    HA   GLU 103           HA       GLU 103   0.584 -13.581  -7.484
  848   1HB   GLU 103          2HB       GLU 103  -0.863 -14.881  -5.984
  849   2HB   GLU 103          3HB       GLU 103  -0.073 -13.560  -5.140
  850   1HG   GLU 103          2HG       GLU 103  -2.015 -12.590  -4.560
  851   2HG   GLU 103          3HG       GLU 103  -2.727 -12.774  -6.155
  852    HHA  HEC 104           HHA      HEC 104   5.146   3.497   1.190
  853    HHB  HEC 104           HHB      HEC 104  -0.351   0.488  -0.420
  854    HHC  HEC 104           HHC      HEC 104  -3.106   6.246  -1.576
  855    HHD  HEC 104           HHD      HEC 104   2.711   8.970  -1.174
  856   1HMA  HEC 104          1HMA      HEC 104   1.607  -0.937   1.587
  857   2HMA  HEC 104          2HMA      HEC 104   1.241  -1.050  -0.148
  858   3HMA  HEC 104          3HMA      HEC 104   2.888  -1.296   0.412
  859   1HAA  HEC 104          1HAA      HEC 104   4.558  -0.286   1.432
  860   2HAA  HEC 104          2HAA      HEC 104   5.165   1.263   2.001
  861   1HBA  HEC 104          1HBA      HEC 104   6.057   1.755  -0.239
  862   2HBA  HEC 104          2HBA      HEC 104   5.300   0.307  -0.881
  863   1HMB  HEC 104          1HMB      HEC 104  -3.656   0.643  -0.594
  864   2HMB  HEC 104          2HMB      HEC 104  -3.555   1.014  -2.326
  865   3HMB  HEC 104          3HMB      HEC 104  -2.223   0.190  -1.528
  866    HAB  HEC 104           HAB      HEC 104  -4.590   4.891  -1.339
  867   1HBB  HEC 104          1HBB      HEC 104  -4.718   3.964   0.871
  868   2HBB  HEC 104          2HBB      HEC 104  -6.233   3.723  -0.022
  869   3HBB  HEC 104          3HBB      HEC 104  -5.110   2.369   0.216
  870   1HMC  HEC 104          1HMC      HEC 104  -3.371   8.496  -1.819
  871   2HMC  HEC 104          2HMC      HEC 104  -2.450   9.840  -2.488
  872   3HMC  HEC 104          3HMC      HEC 104  -2.608   8.330  -3.404
  873    HAC  HEC 104           HAC      HEC 104   1.529  10.019  -2.499
  874   1HBC  HEC 104          1HBC      HEC 104   0.421  11.240  -0.718
  875   2HBC  HEC 104          2HBC      HEC 104   0.461  12.155  -2.239
  876   3HBC  HEC 104          3HBC      HEC 104  -1.047  11.385  -1.707
  877   1HMD  HEC 104          1HMD      HEC 104   4.854   9.380  -0.449
  878   2HMD  HEC 104          2HMD      HEC 104   6.343   8.457  -0.159
  879   3HMD  HEC 104          3HMD      HEC 104   5.475   8.267  -1.679
  880   1HAD  HEC 104          1HAD      HEC 104   6.093   5.356   2.257
  881   2HAD  HEC 104          2HAD      HEC 104   6.129   7.099   2.106
  882   1HBD  HEC 104          1HBD      HEC 104   7.534   6.591  -0.104
  883   2HBD  HEC 104          2HBD      HEC 104   7.798   5.045   0.680
  Start of MODEL   33
    1   1H    THR  -5          H1        THR  -5  -9.934 -11.977  13.602
    2   2H    THR  -5          H2        THR  -5 -10.784 -12.256  12.292
    3   3H    THR  -5          H3        THR  -5 -11.514 -11.477  13.557
    4    HA   THR  -5           HA       THR  -5 -10.987  -9.840  11.879
    5    HB   THR  -5           HB       THR  -5 -10.875  -9.189  14.191
    6    HG1  THR  -5           1HG      THR  -5  -8.708  -8.160  12.733
    7   1HG2  THR  -5          1HG2      THR  -5  -7.913  -9.918  14.192
    8   2HG2  THR  -5          2HG2      THR  -5  -8.769  -8.997  15.438
    9   3HG2  THR  -5          3HG2      THR  -5  -9.187 -10.691  15.154
   10    H    GLU  -4           H        GLU  -4  -9.707 -12.055  10.548
   11    HA   GLU  -4           HA       GLU  -4  -6.858 -11.352  10.324
   12   1HB   GLU  -4          2HB       GLU  -4  -8.387 -13.902   9.669
   13   2HB   GLU  -4          3HB       GLU  -4  -6.648 -13.671   9.578
   14   1HG   GLU  -4          2HG       GLU  -4  -7.147 -14.925  11.563
   15   2HG   GLU  -4          3HG       GLU  -4  -6.520 -13.339  12.021
   16    H    PHE  -3           H        PHE  -3  -8.438  -9.669   8.980
   17    HA   PHE  -3           HA       PHE  -3  -9.179  -8.752   6.995
   18   1HB   PHE  -3          2HB       PHE  -3  -7.220  -8.650   5.916
   19   2HB   PHE  -3          3HB       PHE  -3  -6.837 -10.326   6.116
   20    HD1  PHE  -3           HD1      PHE  -3  -7.203 -11.956   4.409
   21    HD2  PHE  -3           HD2      PHE  -3  -8.665  -7.928   3.947
   22    HE1  PHE  -3           HE1      PHE  -3  -7.637 -12.386   2.020
   23    HE2  PHE  -3           HE2      PHE  -3  -9.212  -8.407   1.577
   24    HZ   PHE  -3           HZ       PHE  -3  -8.667 -10.621   0.596
   25    H    LYS  -2           H        LYS  -2 -10.350  -9.292   4.855
   26    HA   LYS  -2           HA       LYS  -2 -11.864 -11.815   4.912
   27   1HB   LYS  -2          2HB       LYS  -2 -12.993 -10.217   6.512
   28   2HB   LYS  -2          3HB       LYS  -2 -13.368  -9.174   5.149
   29   1HG   LYS  -2          2HG       LYS  -2 -14.333 -12.045   5.582
   30   2HG   LYS  -2          3HG       LYS  -2 -15.277 -10.570   5.818
   31   1HD   LYS  -2          2HD       LYS  -2 -14.936 -10.059   3.351
   32   2HD   LYS  -2          3HD       LYS  -2 -14.224 -11.686   3.216
   33   1HE   LYS  -2          2HE       LYS  -2 -16.290 -12.722   3.922
   34   2HE   LYS  -2          3HE       LYS  -2 -17.069 -11.133   4.064
   35   1HZ   LYS  -2          1HZ       LYS  -2 -15.794 -12.104   1.560
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.415 -12.281   1.851
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.711 -10.790   1.708
   38    H    ALA  -1           H        ALA  -1 -11.219 -12.341   2.940
   39    HA   ALA  -1           HA       ALA  -1 -11.037 -11.018   0.538
   40   1HB   ALA  -1          1HB       ALA  -1 -12.160 -13.807   1.036
   41   2HB   ALA  -1          2HB       ALA  -1 -11.519 -13.207  -0.505
   42   3HB   ALA  -1          3HB       ALA  -1 -10.440 -13.363   0.893
   43    H    GLY   1           H        GLY   1 -12.281  -9.671  -0.432
   44   1HA   GLY   1          1HA       GLY   1 -15.253 -10.038  -0.703
   45   2HA   GLY   1          2HA       GLY   1 -14.388  -8.503  -0.821
   46    H    SER   2           H        SER   2 -14.125  -7.776  -2.839
   47    HA   SER   2           HA       SER   2 -13.905  -9.681  -5.147
   48   1HB   SER   2          2HB       SER   2 -16.172  -8.893  -5.040
   49   2HB   SER   2          3HB       SER   2 -15.629  -7.213  -4.924
   50    HG   SER   2           HG       SER   2 -16.250  -8.266  -7.076
   51    H    ALA   3           H        ALA   3 -11.926  -9.452  -5.922
   52    HA   ALA   3           HA       ALA   3 -10.262  -7.210  -5.788
   53   1HB   ALA   3          1HB       ALA   3 -10.382  -9.375  -7.934
   54   2HB   ALA   3          2HB       ALA   3  -9.004  -8.293  -7.633
   55   3HB   ALA   3          3HB       ALA   3  -9.496  -9.454  -6.390
   56    H    LYS   4           H        LYS   4 -12.981  -7.618  -7.983
   57    HA   LYS   4           HA       LYS   4 -12.149  -5.476  -9.791
   58   1HB   LYS   4          2HB       LYS   4 -13.832  -7.296 -10.413
   59   2HB   LYS   4          3HB       LYS   4 -14.959  -6.540  -9.292
   60   1HG   LYS   4          2HG       LYS   4 -15.608  -5.740 -11.410
   61   2HG   LYS   4          3HG       LYS   4 -14.753  -4.399 -10.679
   62   1HD   LYS   4          2HD       LYS   4 -13.972  -4.421 -12.876
   63   2HD   LYS   4          3HD       LYS   4 -12.664  -5.235 -12.006
   64   1HE   LYS   4          2HE       LYS   4 -13.602  -7.445 -12.686
   65   2HE   LYS   4          3HE       LYS   4 -14.959  -6.628 -13.473
   66   1HZ   LYS   4          1HZ       LYS   4 -12.114  -6.398 -14.297
   67   2HZ   LYS   4          2HZ       LYS   4 -13.295  -7.213 -15.097
   68   3HZ   LYS   4          3HZ       LYS   4 -13.359  -5.577 -14.983
   69    H    LYS   5           H        LYS   5 -13.920  -5.646  -6.978
   70    HA   LYS   5           HA       LYS   5 -15.031  -2.922  -6.911
   71   1HB   LYS   5          2HB       LYS   5 -15.811  -5.080  -5.649
   72   2HB   LYS   5          3HB       LYS   5 -14.620  -4.638  -4.440
   73   1HG   LYS   5          2HG       LYS   5 -17.036  -3.037  -5.382
   74   2HG   LYS   5          3HG       LYS   5 -16.839  -3.877  -3.850
   75   1HD   LYS   5          2HD       LYS   5 -14.839  -2.220  -3.436
   76   2HD   LYS   5          3HD       LYS   5 -15.528  -1.307  -4.793
   77   1HE   LYS   5          2HE       LYS   5 -16.530  -0.335  -2.895
   78   2HE   LYS   5          3HE       LYS   5 -17.764  -1.413  -3.568
   79   1HZ   LYS   5          1HZ       LYS   5 -16.023  -1.949  -1.215
   80   2HZ   LYS   5          2HZ       LYS   5 -17.682  -1.905  -1.247
   81   3HZ   LYS   5          3HZ       LYS   5 -16.801  -3.126  -1.913
   82    H    GLY   6           H        GLY   6 -12.322  -4.494  -5.157
   83   1HA   GLY   6          1HA       GLY   6 -11.146  -2.204  -3.997
   84   2HA   GLY   6          2HA       GLY   6 -10.254  -3.626  -4.529
   85    H    ALA   7           H        ALA   7 -10.562  -3.487  -7.352
   86    HA   ALA   7           HA       ALA   7  -8.749  -1.549  -8.194
   87   1HB   ALA   7          1HB       ALA   7 -10.936  -2.711  -9.960
   88   2HB   ALA   7          2HB       ALA   7  -9.323  -2.160 -10.426
   89   3HB   ALA   7          3HB       ALA   7  -9.506  -3.624  -9.447
   90    H    THR   8           H        THR   8 -12.362  -1.271  -8.297
   91    HA   THR   8           HA       THR   8 -12.436   1.303  -9.531
   92    HB   THR   8           HB       THR   8 -14.642   1.636  -8.693
   93    HG1  THR   8           1HG      THR   8 -14.061  -0.445  -6.870
   94   1HG2  THR   8          1HG2      THR   8 -14.363  -1.315  -9.321
   95   2HG2  THR   8          2HG2      THR   8 -15.810  -0.312  -9.488
   96   3HG2  THR   8          3HG2      THR   8 -14.402  -0.005 -10.525
   97    H    LEU   9           H        LEU   9 -11.736   0.496  -6.221
   98    HA   LEU   9           HA       LEU   9 -11.953   3.257  -5.225
   99   1HB   LEU   9          2HB       LEU   9 -11.080   0.611  -4.009
  100   2HB   LEU   9          3HB       LEU   9 -10.855   2.133  -3.153
  101    HG   LEU   9           HG       LEU   9 -13.551   1.376  -4.293
  102   1HD1  LEU   9          1HD1      LEU   9 -12.462   0.650  -1.533
  103   2HD1  LEU   9          2HD1      LEU   9 -14.150   0.449  -2.062
  104   3HD1  LEU   9          3HD1      LEU   9 -12.862  -0.487  -2.833
  105   1HD2  LEU   9          1HD2      LEU   9 -13.271   3.710  -3.525
  106   2HD2  LEU   9          2HD2      LEU   9 -14.384   2.827  -2.467
  107   3HD2  LEU   9          3HD2      LEU   9 -12.703   3.113  -1.940
  108    H    PHE  10           H        PHE  10  -9.364   0.862  -5.652
  109    HA   PHE  10           HA       PHE  10  -7.094   2.355  -5.060
  110   1HB   PHE  10          2HB       PHE  10  -7.069  -0.045  -5.582
  111   2HB   PHE  10          3HB       PHE  10  -7.487   0.279  -7.255
  112    HD1  PHE  10           HD1      PHE  10  -5.788   0.783  -8.867
  113    HD2  PHE  10           HD2      PHE  10  -4.854   0.823  -4.657
  114    HE1  PHE  10           HE1      PHE  10  -3.368   1.045  -9.390
  115    HE2  PHE  10           HE2      PHE  10  -2.472   1.216  -5.192
  116    HZ   PHE  10           HZ       PHE  10  -1.712   1.324  -7.550
  117    H    LYS  11           H        LYS  11  -8.761   2.198  -8.160
  118    HA   LYS  11           HA       LYS  11  -7.122   3.784  -9.819
  119   1HB   LYS  11          2HB       LYS  11  -8.885   2.327 -10.563
  120   2HB   LYS  11          3HB       LYS  11 -10.127   3.278  -9.767
  121   1HG   LYS  11          2HG       LYS  11  -8.423   4.550 -11.932
  122   2HG   LYS  11          3HG       LYS  11  -9.682   3.394 -12.359
  123   1HD   LYS  11          2HD       LYS  11 -11.363   4.798 -11.074
  124   2HD   LYS  11          3HD       LYS  11 -10.106   6.012 -10.855
  125   1HE   LYS  11          2HE       LYS  11 -11.412   6.699 -12.720
  126   2HE   LYS  11          3HE       LYS  11  -9.839   6.173 -13.330
  127   1HZ   LYS  11          1HZ       LYS  11 -12.305   4.515 -13.320
  128   2HZ   LYS  11          2HZ       LYS  11 -11.693   5.273 -14.653
  129   3HZ   LYS  11          3HZ       LYS  11 -10.857   4.050 -13.930
  130    H    THR  12           H        THR  12  -9.166   4.912  -7.260
  131    HA   THR  12           HA       THR  12  -8.554   7.753  -7.955
  132    HB   THR  12           HB       THR  12 -10.797   7.119  -8.795
  133    HG1  THR  12           1HG      THR  12 -10.530   9.005  -6.732
  134   1HG2  THR  12          1HG2      THR  12 -11.605   6.918  -5.863
  135   2HG2  THR  12          2HG2      THR  12 -12.669   6.871  -7.278
  136   3HG2  THR  12          3HG2      THR  12 -11.520   5.551  -7.000
  137    H    ARG  13           H        ARG  13  -7.862   5.619  -5.766
  138    HA   ARG  13           HA       ARG  13  -7.918   7.587  -3.483
  139   1HB   ARG  13          2HB       ARG  13  -8.080   4.552  -3.344
  140   2HB   ARG  13          3HB       ARG  13  -8.052   5.619  -1.954
  141   1HG   ARG  13          2HG       ARG  13 -10.318   5.727  -4.000
  142   2HG   ARG  13          3HG       ARG  13 -10.255   4.553  -2.694
  143   1HD   ARG  13          2HD       ARG  13 -10.018   6.600  -1.129
  144   2HD   ARG  13          3HD       ARG  13 -10.580   7.548  -2.517
  145    HE   ARG  13           HE       ARG  13 -12.548   5.921  -2.584
  146   1HH1  ARG  13          1HH2      ARG  13 -11.163   6.818   0.445
  147   2HH1  ARG  13          2HH2      ARG  13 -12.470   6.189   1.403
  148   1HH2  ARG  13          1HH1      ARG  13 -14.161   4.966  -1.346
  149   2HH2  ARG  13          2HH1      ARG  13 -14.063   4.969   0.382
  150    H    CYS  14           H        CYS  14  -6.028   5.218  -5.238
  151    HA   CYS  14           HA       CYS  14  -3.610   5.796  -3.553
  152   1HB   CYS  14          2HB       CYS  14  -4.330   3.223  -4.915
  153   2HB   CYS  14          3HB       CYS  14  -3.015   3.469  -3.773
  154    H    LEU  15           H        LEU  15  -4.800   4.748  -6.802
  155    HA   LEU  15           HA       LEU  15  -2.371   4.832  -8.200
  156   1HB   LEU  15          2HB       LEU  15  -4.603   3.922  -8.950
  157   2HB   LEU  15          3HB       LEU  15  -5.143   5.584  -9.182
  158    HG   LEU  15           HG       LEU  15  -3.219   5.850 -10.862
  159   1HD1  LEU  15          1HD1      LEU  15  -3.219   2.806 -10.763
  160   2HD1  LEU  15          2HD1      LEU  15  -2.298   3.838 -11.874
  161   3HD1  LEU  15          3HD1      LEU  15  -1.896   3.832 -10.156
  162   1HD2  LEU  15          1HD2      LEU  15  -5.576   5.532 -11.511
  163   2HD2  LEU  15          2HD2      LEU  15  -4.452   4.774 -12.656
  164   3HD2  LEU  15          3HD2      LEU  15  -5.337   3.766 -11.490
  165    H    GLN  16           H        GLN  16  -4.277   7.536  -7.030
  166    HA   GLN  16           HA       GLN  16  -3.169   9.662  -8.493
  167   1HB   GLN  16          2HB       GLN  16  -3.651  11.057  -6.594
  168   2HB   GLN  16          3HB       GLN  16  -4.964   9.928  -6.897
  169   1HG   GLN  16          2HG       GLN  16  -4.087   8.482  -5.014
  170   2HG   GLN  16          3HG       GLN  16  -2.883   9.740  -4.672
  171   1HE2  GLN  16          2HE2      GLN  16  -3.654  11.835  -3.781
  172   2HE2  GLN  16          1HE2      GLN  16  -5.343  11.875  -3.216
  173    H    CYS  17           H        CYS  17  -1.532   7.725  -5.988
  174    HA   CYS  17           HA       CYS  17   0.951   9.357  -6.347
  175   1HB   CYS  17          2HB       CYS  17  -0.157   7.932  -3.928
  176   2HB   CYS  17          3HB       CYS  17   1.478   8.567  -4.021
  177    H    HIS  18           H        HIS  18  -0.331   6.197  -6.757
  178    HA   HIS  18           HA       HIS  18   2.389   4.926  -6.788
  179   1HB   HIS  18          1HB       HIS  18  -0.294   3.947  -5.722
  180   2HB   HIS  18          2HB       HIS  18   1.053   2.867  -6.031
  181    HD1  HIS  18           HD1      HIS  18   3.466   3.855  -4.747
  182    HD2  HIS  18           HD2      HIS  18  -0.357   4.669  -3.208
  183    HE1  HIS  18           HE1      HIS  18   3.772   4.305  -2.262
  184    H    THR  19           H        THR  19   2.285   2.726  -7.864
  185    HA   THR  19           HA       THR  19   0.406   2.512 -10.162
  186    HB   THR  19           HB       THR  19   2.201   1.715 -11.606
  187    HG1  THR  19           1HG      THR  19   4.190   3.092 -10.442
  188   1HG2  THR  19          1HG2      THR  19   2.592   4.599 -10.712
  189   2HG2  THR  19          2HG2      THR  19   3.039   3.887 -12.277
  190   3HG2  THR  19          3HG2      THR  19   1.334   4.019 -11.826
  191    H    VAL  20           H        VAL  20   0.354   0.349 -11.063
  192    HA   VAL  20           HA       VAL  20   0.679  -1.749  -8.961
  193    HB   VAL  20           HB       VAL  20  -1.519  -0.621  -9.009
  194   1HG1  VAL  20          1HG1      VAL  20  -1.917  -1.943 -11.722
  195   2HG1  VAL  20          2HG1      VAL  20  -3.159  -1.119 -10.775
  196   3HG1  VAL  20          3HG1      VAL  20  -1.803  -0.197 -11.428
  197   1HG2  VAL  20          1HG2      VAL  20  -1.160  -2.990  -8.226
  198   2HG2  VAL  20          2HG2      VAL  20  -2.810  -2.563  -8.676
  199   3HG2  VAL  20          3HG2      VAL  20  -1.818  -3.503  -9.800
  200    H    GLU  21           H        GLU  21   0.970  -0.976 -12.287
  201    HA   GLU  21           HA       GLU  21   1.097  -3.726 -13.251
  202   1HB   GLU  21          2HB       GLU  21   2.290  -1.229 -14.445
  203   2HB   GLU  21          3HB       GLU  21   2.074  -2.769 -15.269
  204   1HG   GLU  21          2HG       GLU  21  -0.323  -2.612 -15.233
  205   2HG   GLU  21          3HG       GLU  21  -0.303  -1.210 -14.161
  206    H    LYS  22           H        LYS  22   3.129  -4.564 -14.214
  207    HA   LYS  22           HA       LYS  22   4.752  -5.125 -11.951
  208   1HB   LYS  22          2HB       LYS  22   3.776  -6.650 -13.677
  209   2HB   LYS  22          3HB       LYS  22   5.042  -6.140 -14.802
  210   1HG   LYS  22          2HG       LYS  22   6.763  -7.052 -13.393
  211   2HG   LYS  22          3HG       LYS  22   5.683  -7.209 -12.020
  212   1HD   LYS  22          2HD       LYS  22   4.257  -8.798 -13.501
  213   2HD   LYS  22          3HD       LYS  22   5.640  -8.828 -14.579
  214   1HE   LYS  22          2HE       LYS  22   5.429  -9.663 -11.640
  215   2HE   LYS  22          3HE       LYS  22   5.621 -10.762 -13.008
  216   1HZ   LYS  22          1HZ       LYS  22   7.632  -8.778 -12.102
  217   2HZ   LYS  22          2HZ       LYS  22   7.708 -10.397 -11.820
  218   3HZ   LYS  22          3HZ       LYS  22   7.840  -9.818 -13.360
  219    H    GLY  23           H        GLY  23   5.839  -3.237 -11.415
  220   1HA   GLY  23          1HA       GLY  23   8.045  -2.331 -11.207
  221   2HA   GLY  23          2HA       GLY  23   8.434  -2.852 -12.846
  222    H    GLY  24           H        GLY  24   5.370  -1.276 -12.405
  223   1HA   GLY  24          1HA       GLY  24   5.821   0.772 -14.280
  224   2HA   GLY  24          2HA       GLY  24   4.540   0.784 -13.065
  225    HA   PRO  25           HA       PRO  25   7.916   4.127 -12.619
  226   1HB   PRO  25          2HB       PRO  25   6.356   6.408 -12.985
  227   2HB   PRO  25          3HB       PRO  25   7.277   5.551 -14.257
  228   1HG   PRO  25          2HG       PRO  25   4.345   5.296 -13.573
  229   2HG   PRO  25          3HG       PRO  25   5.103   5.413 -15.189
  230   1HD   PRO  25          2HD       PRO  25   4.334   3.020 -14.157
  231   2HD   PRO  25          3HD       PRO  25   5.836   3.164 -15.115
  232    H    HIS  26           H        HIS  26   8.474   4.897 -10.702
  233    HA   HIS  26           HA       HIS  26   6.744   4.673  -8.357
  234   1HB   HIS  26          2HB       HIS  26   9.624   5.538  -8.817
  235   2HB   HIS  26          3HB       HIS  26   8.833   5.554  -7.245
  236    HD1  HIS  26           HD1      HIS  26   8.770   2.546  -9.804
  237    HD2  HIS  26           HD2      HIS  26   9.929   3.718  -5.914
  238    HE1  HIS  26           HE1      HIS  26   9.653   0.464  -8.583
  239    H    LYS  27           H        LYS  27   5.219   6.175  -9.227
  240    HA   LYS  27           HA       LYS  27   5.653   8.745 -10.176
  241   1HB   LYS  27          2HB       LYS  27   3.535   7.315 -10.288
  242   2HB   LYS  27          3HB       LYS  27   3.139   7.892  -8.676
  243   1HG   LYS  27          2HG       LYS  27   3.341  10.292  -9.671
  244   2HG   LYS  27          3HG       LYS  27   3.349   9.502 -11.253
  245   1HD   LYS  27          2HD       LYS  27   1.131   8.500 -10.763
  246   2HD   LYS  27          3HD       LYS  27   1.181   9.183  -9.123
  247   1HE   LYS  27          2HE       LYS  27   1.393  11.480 -10.149
  248   2HE   LYS  27          3HE       LYS  27   1.125  10.751 -11.739
  249   1HZ   LYS  27          1HZ       LYS  27  -0.734  10.659  -9.425
  250   2HZ   LYS  27          2HZ       LYS  27  -0.949  11.584 -10.771
  251   3HZ   LYS  27          3HZ       LYS  27  -1.029   9.934 -10.869
  252    H    VAL  28           H        VAL  28   4.630   8.060  -6.913
  253    HA   VAL  28           HA       VAL  28   5.809  10.628  -5.909
  254    HB   VAL  28           HB       VAL  28   3.028   9.734  -5.078
  255   1HG1  VAL  28          1HG1      VAL  28   4.546  12.305  -4.511
  256   2HG1  VAL  28          2HG1      VAL  28   2.888  11.932  -3.990
  257   3HG1  VAL  28          3HG1      VAL  28   4.240  11.001  -3.338
  258   1HG2  VAL  28          1HG2      VAL  28   2.841  10.565  -7.363
  259   2HG2  VAL  28          2HG2      VAL  28   2.186  11.766  -6.251
  260   3HG2  VAL  28          3HG2      VAL  28   3.805  12.000  -6.951
  261    H    GLY  29           H        GLY  29   4.241   7.573  -5.090
  262   1HA   GLY  29          1HA       GLY  29   6.484   6.893  -3.241
  263   2HA   GLY  29          2HA       GLY  29   4.850   6.242  -3.038
  264    HA   PRO  30           HA       PRO  30   7.517   3.727  -5.895
  265   1HB   PRO  30          2HB       PRO  30   7.671   1.295  -4.551
  266   2HB   PRO  30          3HB       PRO  30   8.722   2.682  -4.169
  267   1HG   PRO  30          2HG       PRO  30   6.085   1.917  -2.850
  268   2HG   PRO  30          3HG       PRO  30   7.647   2.268  -2.052
  269   1HD   PRO  30          2HD       PRO  30   5.775   4.177  -2.246
  270   2HD   PRO  30          3HD       PRO  30   7.484   4.577  -2.512
  271    H    ASN  31           H        ASN  31   7.255   1.568  -6.947
  272    HA   ASN  31           HA       ASN  31   4.513   1.118  -7.850
  273   1HB   ASN  31          2HB       ASN  31   6.549   0.763  -9.259
  274   2HB   ASN  31          3HB       ASN  31   7.062  -0.530  -8.167
  275   1HD2  ASN  31          2HD2      ASN  31   4.155   0.449 -10.109
  276   2HD2  ASN  31          1HD2      ASN  31   3.899  -1.241 -10.621
  277    H    LEU  32           H        LEU  32   3.092  -0.452  -7.177
  278    HA   LEU  32           HA       LEU  32   3.714  -1.801  -4.599
  279   1HB   LEU  32          2HB       LEU  32   1.074  -1.244  -5.989
  280   2HB   LEU  32          3HB       LEU  32   1.262  -1.953  -4.390
  281    HG   LEU  32           HG       LEU  32   2.096   0.879  -5.171
  282   1HD1  LEU  32          1HD1      LEU  32  -0.169  -0.139  -3.415
  283   2HD1  LEU  32          2HD1      LEU  32   0.222   1.560  -3.729
  284   3HD1  LEU  32          3HD1      LEU  32  -0.334   0.523  -5.057
  285   1HD2  LEU  32          1HD2      LEU  32   3.561   0.121  -3.383
  286   2HD2  LEU  32          2HD2      LEU  32   2.349   1.204  -2.690
  287   3HD2  LEU  32          3HD2      LEU  32   2.184  -0.556  -2.490
  288    H    HIS  33           H        HIS  33   4.037  -2.848  -7.692
  289    HA   HIS  33           HA       HIS  33   2.648  -5.431  -7.496
  290   1HB   HIS  33          2HB       HIS  33   3.122  -3.985  -9.583
  291   2HB   HIS  33          3HB       HIS  33   4.757  -4.623  -9.511
  292    HD1  HIS  33           HD1      HIS  33   1.296  -5.486 -10.616
  293    HD2  HIS  33           HD2      HIS  33   4.923  -7.434  -9.773
  294    HE1  HIS  33           HE1      HIS  33   1.179  -7.783 -11.764
  295    H    GLY  34           H        GLY  34   3.912  -5.517  -5.259
  296   1HA   GLY  34          1HA       GLY  34   5.284  -7.882  -5.136
  297   2HA   GLY  34          2HA       GLY  34   6.598  -6.779  -5.512
  298    H    ILE  35           H        ILE  35   4.294  -5.290  -3.339
  299    HA   ILE  35           HA       ILE  35   6.327  -5.319  -1.299
  300    HB   ILE  35           HB       ILE  35   4.941  -3.996   0.031
  301   1HG1  ILE  35          2HG1      ILE  35   2.746  -5.049  -0.169
  302   2HG1  ILE  35          3HG1      ILE  35   2.723  -3.320  -0.332
  303   1HG2  ILE  35          1HG2      ILE  35   4.787  -3.108  -2.862
  304   2HG2  ILE  35          2HG2      ILE  35   4.621  -2.065  -1.440
  305   3HG2  ILE  35          3HG2      ILE  35   6.141  -2.908  -1.737
  306   1HD1  ILE  35          1HD1      ILE  35   2.428  -5.258  -2.647
  307   2HD1  ILE  35          2HD1      ILE  35   1.153  -4.307  -1.871
  308   3HD1  ILE  35          3HD1      ILE  35   2.431  -3.476  -2.762
  309    H    PHE  36           H        PHE  36   3.284  -7.131  -1.643
  310    HA   PHE  36           HA       PHE  36   3.158  -8.350   0.905
  311   1HB   PHE  36          2HB       PHE  36   2.208  -9.318  -1.816
  312   2HB   PHE  36          3HB       PHE  36   1.800 -10.069  -0.282
  313    HD1  PHE  36           HD1      PHE  36   0.581  -8.652   1.515
  314    HD2  PHE  36           HD2      PHE  36   0.845  -7.553  -2.657
  315    HE1  PHE  36           HE1      PHE  36  -1.314  -7.087   1.805
  316    HE2  PHE  36           HE2      PHE  36  -1.016  -5.975  -2.353
  317    HZ   PHE  36           HZ       PHE  36  -2.112  -5.725  -0.112
  318    H    GLY  37           H        GLY  37   4.373  -9.761   1.787
  319   1HA   GLY  37          1HA       GLY  37   5.955 -11.534   2.094
  320   2HA   GLY  37          2HA       GLY  37   5.985 -11.802   0.349
  321    H    ARG  38           H        ARG  38   6.538  -8.522   1.103
  322    HA   ARG  38           HA       ARG  38   9.494  -8.802   1.380
  323   1HB   ARG  38          2HB       ARG  38   8.205  -7.682  -0.817
  324   2HB   ARG  38          3HB       ARG  38   8.438  -6.267   0.172
  325   1HG   ARG  38          2HG       ARG  38  10.358  -6.392  -1.157
  326   2HG   ARG  38          3HG       ARG  38  10.860  -6.966   0.444
  327   1HD   ARG  38          2HD       ARG  38   9.852  -9.266  -0.921
  328   2HD   ARG  38          3HD       ARG  38  10.688  -8.314  -2.118
  329    HE   ARG  38           HE       ARG  38  12.701  -8.377  -0.607
  330   1HH1  ARG  38          1HH2      ARG  38  10.229 -10.777   0.271
  331   2HH1  ARG  38          2HH2      ARG  38  11.405 -11.898   0.830
  332   1HH2  ARG  38          1HH1      ARG  38  14.135  -9.907   0.152
  333   2HH2  ARG  38          2HH1      ARG  38  13.554 -11.427   0.783
  334    H    HIS  39           H        HIS  39  10.287  -6.473   2.157
  335    HA   HIS  39           HA       HIS  39   8.819  -5.964   4.725
  336   1HB   HIS  39          2HB       HIS  39  11.736  -5.448   4.069
  337   2HB   HIS  39          3HB       HIS  39  10.932  -5.058   5.588
  338    HD1  HIS  39           HD1      HIS  39  12.507  -7.959   3.787
  339    HD2  HIS  39           HD2      HIS  39  10.041  -7.179   7.106
  340    HE1  HIS  39           HE1      HIS  39  12.429 -10.139   5.181
  341    H    SER  40           H        SER  40   8.280  -3.794   5.233
  342    HA   SER  40           HA       SER  40   8.018  -1.947   3.164
  343   1HB   SER  40          2HB       SER  40   7.514  -0.240   4.742
  344   2HB   SER  40          3HB       SER  40   6.882  -1.768   5.367
  345    HG   SER  40           HG       SER  40   9.165  -0.318   6.164
  346    H    GLY  41           H        GLY  41   9.167  -0.500   2.186
  347   1HA   GLY  41          1HA       GLY  41  11.032   0.907   1.694
  348   2HA   GLY  41          2HA       GLY  41  11.925   0.233   3.041
  349    H    GLN  42           H        GLN  42  10.499  -1.770   0.435
  350    HA   GLN  42           HA       GLN  42  13.260  -2.352  -0.571
  351   1HB   GLN  42          2HB       GLN  42  11.241  -4.457   0.267
  352   2HB   GLN  42          3HB       GLN  42  12.739  -4.762  -0.622
  353   1HG   GLN  42          2HG       GLN  42  13.968  -3.581   1.285
  354   2HG   GLN  42          3HG       GLN  42  12.472  -3.735   2.209
  355   1HE2  GLN  42          2HE2      GLN  42  14.511  -4.874   3.400
  356   2HE2  GLN  42          1HE2      GLN  42  14.597  -6.611   3.104
  357    H    ALA  43           H        ALA  43  11.720  -0.667  -1.976
  358    HA   ALA  43           HA       ALA  43  11.203  -2.002  -4.539
  359   1HB   ALA  43          1HB       ALA  43  12.090   0.865  -3.960
  360   2HB   ALA  43          2HB       ALA  43  11.450   0.233  -5.477
  361   3HB   ALA  43          3HB       ALA  43  10.392   0.323  -4.064
  362    H    GLU  44           H        GLU  44  12.860  -1.221  -6.323
  363    HA   GLU  44           HA       GLU  44  15.599  -2.098  -5.570
  364   1HB   GLU  44          2HB       GLU  44  14.477  -3.277  -7.345
  365   2HB   GLU  44          3HB       GLU  44  14.188  -1.816  -8.251
  366   1HG   GLU  44          2HG       GLU  44  17.002  -2.790  -7.554
  367   2HG   GLU  44          3HG       GLU  44  16.110  -3.459  -8.917
  368    H    GLY  45           H        GLY  45  15.182   0.138  -8.247
  369   1HA   GLY  45          1HA       GLY  45  17.226   1.782  -7.264
  370   2HA   GLY  45          2HA       GLY  45  16.280   2.020  -8.728
  371    H    TYR  46           H        TYR  46  15.023   2.128  -5.385
  372    HA   TYR  46           HA       TYR  46  14.603   5.069  -5.647
  373   1HB   TYR  46          2HB       TYR  46  12.688   3.934  -6.699
  374   2HB   TYR  46          3HB       TYR  46  12.297   3.130  -5.201
  375    HD1  TYR  46           HD1      TYR  46  11.728   5.978  -7.238
  376    HD2  TYR  46           HD2      TYR  46  11.950   4.818  -3.092
  377    HE1  TYR  46           HE1      TYR  46  10.276   7.900  -6.629
  378    HE2  TYR  46           HE2      TYR  46  10.574   6.769  -2.465
  379    HH   TYR  46           HH       TYR  46   9.165   8.902  -4.965
  380    H    SER  47           H        SER  47  15.280   6.018  -3.905
  381    HA   SER  47           HA       SER  47  15.658   4.663  -1.364
  382   1HB   SER  47          2HB       SER  47  15.983   7.591  -2.103
  383   2HB   SER  47          3HB       SER  47  16.516   6.832  -0.590
  384    HG   SER  47           HG       SER  47  18.247   6.871  -2.014
  385    H    TYR  48           H        TYR  48  14.340   4.540   0.284
  386    HA   TYR  48           HA       TYR  48  11.786   6.031   0.484
  387   1HB   TYR  48          2HB       TYR  48  13.094   3.734   1.973
  388   2HB   TYR  48          3HB       TYR  48  11.576   4.446   2.496
  389    HD1  TYR  48           HD1      TYR  48   9.513   3.873   1.505
  390    HD2  TYR  48           HD2      TYR  48  13.212   2.644  -0.374
  391    HE1  TYR  48           HE1      TYR  48   8.302   2.156   0.210
  392    HE2  TYR  48           HE2      TYR  48  11.981   1.077  -1.767
  393    HH   TYR  48           HH       TYR  48   8.803  -0.036  -0.910
  394    H    THR  49           H        THR  49  11.159   6.663   2.817
  395    HA   THR  49           HA       THR  49  13.187   8.400   4.033
  396    HB   THR  49           HB       THR  49  11.578   8.641   5.900
  397    HG1  THR  49           1HG      THR  49   9.524   7.490   4.479
  398   1HG2  THR  49          1HG2      THR  49  10.420   9.131   3.147
  399   2HG2  THR  49          2HG2      THR  49   9.869   9.881   4.665
  400   3HG2  THR  49          3HG2      THR  49  11.501  10.208   4.057
  401    H    ASP  50           H        ASP  50  14.137   8.204   5.969
  402    HA   ASP  50           HA       ASP  50  15.137   5.882   7.136
  403   1HB   ASP  50          2HB       ASP  50  15.880   8.167   7.573
  404   2HB   ASP  50          3HB       ASP  50  14.310   8.585   8.281
  405    H    ALA  51           H        ALA  51  12.016   7.462   7.775
  406    HA   ALA  51           HA       ALA  51  11.164   5.768   9.912
  407   1HB   ALA  51          1HB       ALA  51   9.505   7.485   8.016
  408   2HB   ALA  51          2HB       ALA  51   9.030   6.895   9.630
  409   3HB   ALA  51          3HB       ALA  51  10.336   8.072   9.476
  410    H    ASN  52           H        ASN  52  10.226   5.676   6.371
  411    HA   ASN  52           HA       ASN  52   8.629   3.297   6.751
  412   1HB   ASN  52          2HB       ASN  52   8.368   5.014   4.917
  413   2HB   ASN  52          3HB       ASN  52   9.810   4.341   4.152
  414   1HD2  ASN  52          2HD2      ASN  52   9.665   1.948   3.492
  415   2HD2  ASN  52          1HD2      ASN  52   8.051   1.381   3.094
  416    H    ILE  53           H        ILE  53  12.031   3.784   6.021
  417    HA   ILE  53           HA       ILE  53  12.697   1.005   5.571
  418    HB   ILE  53           HB       ILE  53  14.306   3.370   6.541
  419   1HG1  ILE  53          2HG1      ILE  53  14.437   1.904   3.854
  420   2HG1  ILE  53          3HG1      ILE  53  13.405   3.294   4.140
  421   1HG2  ILE  53          1HG2      ILE  53  15.383   0.615   5.768
  422   2HG2  ILE  53          2HG2      ILE  53  16.378   2.047   6.102
  423   3HG2  ILE  53          3HG2      ILE  53  15.436   1.330   7.393
  424   1HD1  ILE  53          1HD1      ILE  53  16.441   3.297   4.231
  425   2HD1  ILE  53          2HD1      ILE  53  15.385   4.076   3.046
  426   3HD1  ILE  53          3HD1      ILE  53  15.418   4.672   4.715
  427    H    LYS  54           H        LYS  54  13.299   2.934   8.578
  428    HA   LYS  54           HA       LYS  54  13.704   0.497  10.101
  429   1HB   LYS  54          2HB       LYS  54  13.180   3.337  11.039
  430   2HB   LYS  54          3HB       LYS  54  13.706   1.996  12.076
  431   1HG   LYS  54          2HG       LYS  54  15.731   1.687  10.613
  432   2HG   LYS  54          3HG       LYS  54  15.273   3.136   9.720
  433   1HD   LYS  54          2HD       LYS  54  16.070   2.984  12.655
  434   2HD   LYS  54          3HD       LYS  54  16.968   3.702  11.303
  435   1HE   LYS  54          2HE       LYS  54  14.658   5.055  11.016
  436   2HE   LYS  54          3HE       LYS  54  14.533   4.743  12.756
  437   1HZ   LYS  54          1HZ       LYS  54  16.736   6.057  11.291
  438   2HZ   LYS  54          2HZ       LYS  54  15.622   6.836  12.023
  439   3HZ   LYS  54          3HZ       LYS  54  16.699   5.940  12.976
  440    H    LYS  55           H        LYS  55  10.954   1.283   8.788
  441    HA   LYS  55           HA       LYS  55   9.200   0.288  11.009
  442   1HB   LYS  55          2HB       LYS  55   8.086   1.848   9.513
  443   2HB   LYS  55          3HB       LYS  55   8.671   0.997   8.116
  444   1HG   LYS  55          2HG       LYS  55   6.475   0.411   8.105
  445   2HG   LYS  55          3HG       LYS  55   7.242  -0.986   8.780
  446   1HD   LYS  55          2HD       LYS  55   5.350   0.961  10.077
  447   2HD   LYS  55          3HD       LYS  55   5.272  -0.775   9.944
  448   1HE   LYS  55          2HE       LYS  55   5.704  -0.593  12.150
  449   2HE   LYS  55          3HE       LYS  55   7.351  -0.785  11.536
  450   1HZ   LYS  55          1HZ       LYS  55   5.986   1.791  12.185
  451   2HZ   LYS  55          2HZ       LYS  55   7.173   1.076  13.093
  452   3HZ   LYS  55          3HZ       LYS  55   7.513   1.679  11.594
  453    H    ASN  56           H        ASN  56  10.881  -0.876   8.175
  454    HA   ASN  56           HA       ASN  56  10.432  -2.782   6.890
  455   1HB   ASN  56          2HB       ASN  56  12.060  -3.585   9.316
  456   2HB   ASN  56          3HB       ASN  56  11.886  -4.603   7.903
  457   1HD2  ASN  56          2HD2      ASN  56  12.071  -2.348   5.808
  458   2HD2  ASN  56          1HD2      ASN  56  13.739  -1.904   6.062
  459    H    VAL  57           H        VAL  57   7.974  -2.546   7.593
  460    HA   VAL  57           HA       VAL  57   7.062  -4.887   9.096
  461    HB   VAL  57           HB       VAL  57   5.721  -2.608   8.509
  462   1HG1  VAL  57          1HG1      VAL  57   4.405  -4.632   6.676
  463   2HG1  VAL  57          2HG1      VAL  57   3.792  -3.039   7.155
  464   3HG1  VAL  57          3HG1      VAL  57   5.254  -3.153   6.169
  465   1HG2  VAL  57          1HG2      VAL  57   5.215  -4.162  10.305
  466   2HG2  VAL  57          2HG2      VAL  57   3.738  -3.841   9.388
  467   3HG2  VAL  57          3HG2      VAL  57   4.604  -5.365   9.144
  468    H    LEU  58           H        LEU  58   7.211  -6.869   8.429
  469    HA   LEU  58           HA       LEU  58   7.461  -7.659   5.651
  470   1HB   LEU  58          2HB       LEU  58   8.208  -9.046   7.550
  471   2HB   LEU  58          3HB       LEU  58   6.535  -9.317   8.034
  472    HG   LEU  58           HG       LEU  58   7.371  -9.939   5.179
  473   1HD1  LEU  58          1HD1      LEU  58   7.900 -11.748   7.562
  474   2HD1  LEU  58          2HD1      LEU  58   8.085 -12.186   5.848
  475   3HD1  LEU  58          3HD1      LEU  58   9.127 -10.942   6.560
  476   1HD2  LEU  58          1HD2      LEU  58   4.979 -10.235   5.739
  477   2HD2  LEU  58          2HD2      LEU  58   5.738 -11.795   5.448
  478   3HD2  LEU  58          3HD2      LEU  58   5.413 -11.272   7.115
  479    H    TRP  59           H        TRP  59   5.915  -7.091   4.271
  480    HA   TRP  59           HA       TRP  59   3.249  -6.386   5.093
  481   1HB   TRP  59          2HB       TRP  59   4.394  -6.884   2.355
  482   2HB   TRP  59          3HB       TRP  59   2.814  -6.186   2.630
  483    HD1  TRP  59           HD1      TRP  59   6.286  -5.148   2.001
  484    HE1  TRP  59           HE1      TRP  59   6.552  -2.615   2.356
  485    HE3  TRP  59           HE3      TRP  59   1.966  -4.232   4.574
  486    HZ2  TRP  59           HZ2      TRP  59   5.295  -0.581   3.924
  487    HZ3  TRP  59           HZ3      TRP  59   1.544  -2.021   5.569
  488    HH2  TRP  59           HH2      TRP  59   3.213  -0.159   5.260
  489    H    ASP  60           H        ASP  60   2.043  -7.892   5.922
  490    HA   ASP  60           HA       ASP  60   1.042 -10.177   4.295
  491   1HB   ASP  60          2HB       ASP  60   1.603 -10.767   6.570
  492   2HB   ASP  60          3HB       ASP  60   0.739  -9.358   7.219
  493    H    GLU  61           H        GLU  61  -1.372 -10.332   4.356
  494    HA   GLU  61           HA       GLU  61  -2.798  -8.073   3.259
  495   1HB   GLU  61          2HB       GLU  61  -3.776 -10.653   4.540
  496   2HB   GLU  61          3HB       GLU  61  -4.827  -9.466   3.762
  497   1HG   GLU  61          2HG       GLU  61  -3.474  -9.704   1.655
  498   2HG   GLU  61          3HG       GLU  61  -2.580 -11.020   2.407
  499    H    ASN  62           H        ASN  62  -2.665  -9.349   6.659
  500    HA   ASN  62           HA       ASN  62  -4.455  -7.375   7.708
  501   1HB   ASN  62          2HB       ASN  62  -2.354  -9.156   9.028
  502   2HB   ASN  62          3HB       ASN  62  -3.534  -8.178   9.875
  503   1HD2  ASN  62          2HD2      ASN  62  -3.135 -11.062   7.883
  504   2HD2  ASN  62          1HD2      ASN  62  -4.831 -11.568   8.029
  505    H    ASN  63           H        ASN  63  -0.865  -7.498   7.602
  506    HA   ASN  63           HA       ASN  63  -0.450  -5.109   9.136
  507   1HB   ASN  63          2HB       ASN  63   1.330  -6.441   7.046
  508   2HB   ASN  63          3HB       ASN  63   1.840  -5.165   8.164
  509   1HD2  ASN  63          2HD2      ASN  63   3.310  -7.514   8.231
  510   2HD2  ASN  63          1HD2      ASN  63   2.832  -8.273   9.738
  511    H    MET  64           H        MET  64  -0.797  -5.594   5.617
  512    HA   MET  64           HA       MET  64  -0.389  -2.866   4.811
  513   1HB   MET  64          2HB       MET  64  -1.208  -5.361   3.619
  514   2HB   MET  64          3HB       MET  64  -2.416  -4.160   3.239
  515   1HG   MET  64          2HG       MET  64   0.501  -3.541   2.768
  516   2HG   MET  64          3HG       MET  64  -0.402  -4.558   1.664
  517   1HE   MET  64          1HE       MET  64   0.541  -1.098   2.694
  518   2HE   MET  64          2HE       MET  64  -0.736  -0.023   2.084
  519   3HE   MET  64          3HE       MET  64  -1.004  -1.006   3.539
  520    H    SER  65           H        SER  65  -3.364  -4.634   5.777
  521    HA   SER  65           HA       SER  65  -5.114  -2.402   5.629
  522   1HB   SER  65          2HB       SER  65  -6.709  -3.733   6.590
  523   2HB   SER  65          3HB       SER  65  -5.582  -4.975   6.030
  524    HG   SER  65           HG       SER  65  -4.730  -4.990   8.201
  525    H    GLU  66           H        GLU  66  -3.039  -3.436   8.338
  526    HA   GLU  66           HA       GLU  66  -4.049  -1.605  10.269
  527   1HB   GLU  66          2HB       GLU  66  -2.665  -3.650  10.680
  528   2HB   GLU  66          3HB       GLU  66  -1.255  -2.775  10.055
  529   1HG   GLU  66          2HG       GLU  66  -1.567  -1.041  11.816
  530   2HG   GLU  66          3HG       GLU  66  -3.003  -1.901  12.396
  531    H    TYR  67           H        TYR  67  -1.095  -1.356   8.227
  532    HA   TYR  67           HA       TYR  67  -0.421   1.316   8.722
  533   1HB   TYR  67          2HB       TYR  67   0.933  -0.262   7.387
  534   2HB   TYR  67          3HB       TYR  67  -0.277  -0.247   6.118
  535    HD1  TYR  67           HD1      TYR  67   0.829   0.656   4.235
  536    HD2  TYR  67           HD2      TYR  67   1.148   2.621   8.020
  537    HE1  TYR  67           HE1      TYR  67   2.193   2.442   3.182
  538    HE2  TYR  67           HE2      TYR  67   2.497   4.458   6.976
  539    HH   TYR  67           HH       TYR  67   3.723   4.159   3.723
  540    H    LEU  68           H        LEU  68  -2.762   0.115   6.237
  541    HA   LEU  68           HA       LEU  68  -3.469   2.767   5.355
  542   1HB   LEU  68          2HB       LEU  68  -4.944   0.120   5.170
  543   2HB   LEU  68          3HB       LEU  68  -5.479   1.597   4.377
  544    HG   LEU  68           HG       LEU  68  -2.815   0.228   3.848
  545   1HD1  LEU  68          1HD1      LEU  68  -5.345   0.322   2.173
  546   2HD1  LEU  68          2HD1      LEU  68  -3.805  -0.439   1.717
  547   3HD1  LEU  68          3HD1      LEU  68  -4.739  -1.095   3.066
  548   1HD2  LEU  68          1HD2      LEU  68  -2.618   2.591   3.370
  549   2HD2  LEU  68          2HD2      LEU  68  -2.726   1.701   1.857
  550   3HD2  LEU  68          3HD2      LEU  68  -4.152   2.576   2.466
  551    H    THR  69           H        THR  69  -4.439   1.101   8.249
  552    HA   THR  69           HA       THR  69  -6.994   2.442   8.568
  553    HB   THR  69           HB       THR  69  -5.288   1.199  10.672
  554    HG1  THR  69           1HG      THR  69  -5.863  -0.172   8.969
  555   1HG2  THR  69          1HG2      THR  69  -8.268   1.828  10.610
  556   2HG2  THR  69          2HG2      THR  69  -7.450   0.857  11.851
  557   3HG2  THR  69          3HG2      THR  69  -7.060   2.573  11.691
  558    H    ASN  70           H        ASN  70  -3.721   3.249   9.625
  559    HA   ASN  70           HA       ASN  70  -4.324   5.985   9.242
  560   1HB   ASN  70          2HB       ASN  70  -5.253   5.850  11.549
  561   2HB   ASN  70          3HB       ASN  70  -3.675   5.343  12.137
  562   1HD2  ASN  70          2HD2      ASN  70  -4.292   8.017   9.643
  563   2HD2  ASN  70          1HD2      ASN  70  -3.710   9.189  10.818
  564    HA   PRO  71           HA       PRO  71  -0.149   4.441   8.328
  565   1HB   PRO  71          2HB       PRO  71   0.508   6.129   6.229
  566   2HB   PRO  71          3HB       PRO  71  -0.527   4.679   6.069
  567   1HG   PRO  71          2HG       PRO  71  -1.407   7.553   6.449
  568   2HG   PRO  71          3HG       PRO  71  -1.996   6.361   5.250
  569   1HD   PRO  71          2HD       PRO  71  -3.352   6.810   7.529
  570   2HD   PRO  71          3HD       PRO  71  -3.181   5.136   6.916
  571    H    LYS  72           H        LYS  72  -0.963   7.793   8.811
  572    HA   LYS  72           HA       LYS  72   1.659   8.843   9.208
  573   1HB   LYS  72          2HB       LYS  72  -0.970   9.890   9.138
  574   2HB   LYS  72          3HB       LYS  72  -0.466  10.175  10.791
  575   1HG   LYS  72          2HG       LYS  72   0.101  12.119   9.518
  576   2HG   LYS  72          3HG       LYS  72   1.604  11.313   9.958
  577   1HD   LYS  72          2HD       LYS  72   1.676  12.149   7.639
  578   2HD   LYS  72          3HD       LYS  72   1.836  10.406   7.689
  579   1HE   LYS  72          2HE       LYS  72   0.401  10.963   5.873
  580   2HE   LYS  72          3HE       LYS  72  -0.563  10.142   7.079
  581   1HZ   LYS  72          1HZ       LYS  72  -0.496  13.066   6.587
  582   2HZ   LYS  72          2HZ       LYS  72  -1.679  12.041   6.160
  583   3HZ   LYS  72          3HZ       LYS  72  -1.410  12.335   7.761
  584    H    LYS  73           H        LYS  73  -0.280   7.023  11.435
  585    HA   LYS  73           HA       LYS  73   1.608   7.650  13.674
  586   1HB   LYS  73          2HB       LYS  73  -1.075   6.211  13.572
  587   2HB   LYS  73          3HB       LYS  73   0.056   5.990  14.918
  588   1HG   LYS  73          2HG       LYS  73   0.165   8.495  15.185
  589   2HG   LYS  73          3HG       LYS  73  -1.158   8.636  14.013
  590   1HD   LYS  73          2HD       LYS  73  -2.650   7.381  15.491
  591   2HD   LYS  73          3HD       LYS  73  -1.297   6.991  16.580
  592   1HE   LYS  73          2HE       LYS  73  -0.950   9.473  16.928
  593   2HE   LYS  73          3HE       LYS  73  -2.446   9.764  16.030
  594   1HZ   LYS  73          1HZ       LYS  73  -2.228   8.154  18.517
  595   2HZ   LYS  73          2HZ       LYS  73  -2.791   9.693  18.447
  596   3HZ   LYS  73          3HZ       LYS  73  -3.625   8.477  17.716
  597    H    TYR  74           H        TYR  74   0.705   4.904  11.575
  598    HA   TYR  74           HA       TYR  74   2.373   2.981  12.853
  599   1HB   TYR  74          2HB       TYR  74   0.551   2.858  10.930
  600   2HB   TYR  74          3HB       TYR  74   1.934   3.101   9.878
  601    HD1  TYR  74           HD1      TYR  74   0.937   1.019  12.859
  602    HD2  TYR  74           HD2      TYR  74   2.789   1.053   8.948
  603    HE1  TYR  74           HE1      TYR  74   1.139  -1.438  12.931
  604    HE2  TYR  74           HE2      TYR  74   2.875  -1.443   9.007
  605    HH   TYR  74           HH       TYR  74   1.205  -3.233  11.511
  606    H    ILE  75           H        ILE  75   3.133   5.451  10.476
  607    HA   ILE  75           HA       ILE  75   6.056   4.993  10.811
  608    HB   ILE  75           HB       ILE  75   4.720   5.542   8.146
  609   1HG1  ILE  75          2HG1      ILE  75   5.887   2.957   9.229
  610   2HG1  ILE  75          3HG1      ILE  75   4.193   3.256   8.816
  611   1HG2  ILE  75          1HG2      ILE  75   7.594   4.842   8.933
  612   2HG2  ILE  75          2HG2      ILE  75   7.025   5.170   7.279
  613   3HG2  ILE  75          3HG2      ILE  75   7.041   6.460   8.459
  614   1HD1  ILE  75          1HD1      ILE  75   6.508   2.888   6.938
  615   2HD1  ILE  75          2HD1      ILE  75   4.972   2.020   7.012
  616   3HD1  ILE  75          3HD1      ILE  75   5.014   3.692   6.414
  617    HA   PRO  76           HA       PRO  76   4.707   9.336  11.712
  618   1HB   PRO  76          2HB       PRO  76   6.271   9.818  13.895
  619   2HB   PRO  76          3HB       PRO  76   4.735   8.899  13.967
  620   1HG   PRO  76          2HG       PRO  76   7.553   7.798  13.814
  621   2HG   PRO  76          3HG       PRO  76   6.226   7.303  14.911
  622   1HD   PRO  76          2HD       PRO  76   6.814   5.962  12.603
  623   2HD   PRO  76          3HD       PRO  76   5.138   6.108  13.205
  624    H    GLY  77           H        GLY  77   5.499  10.237   9.927
  625   1HA   GLY  77          1HA       GLY  77   7.314  11.959   9.304
  626   2HA   GLY  77          2HA       GLY  77   8.451  10.639   9.554
  627    H    THR  78           H        THR  78   5.948   9.009   8.273
  628    HA   THR  78           HA       THR  78   7.077   8.481   5.787
  629    HB   THR  78           HB       THR  78   5.429   7.066   6.828
  630    HG1  THR  78           1HG      THR  78   4.437   6.461   5.011
  631   1HG2  THR  78          1HG2      THR  78   3.228   8.957   5.912
  632   2HG2  THR  78          2HG2      THR  78   3.051   7.412   6.765
  633   3HG2  THR  78          3HG2      THR  78   3.752   8.810   7.597
  634    H    LYS  79           H        LYS  79   7.040   9.217   3.820
  635    HA   LYS  79           HA       LYS  79   5.885  11.754   2.961
  636   1HB   LYS  79          2HB       LYS  79   6.934   9.346   1.426
  637   2HB   LYS  79          3HB       LYS  79   6.444  10.871   0.655
  638   1HG   LYS  79          2HG       LYS  79   8.239  12.078   1.698
  639   2HG   LYS  79          3HG       LYS  79   8.659  10.688   2.698
  640   1HD   LYS  79          2HD       LYS  79  10.243  10.791   0.919
  641   2HD   LYS  79          3HD       LYS  79   9.242   9.378   0.640
  642   1HE   LYS  79          2HE       LYS  79   8.224  11.833  -0.696
  643   2HE   LYS  79          3HE       LYS  79   9.882  11.456  -1.159
  644   1HZ   LYS  79          1HZ       LYS  79   7.626   9.549  -1.428
  645   2HZ   LYS  79          2HZ       LYS  79   8.266  10.385  -2.652
  646   3HZ   LYS  79          3HZ       LYS  79   9.177   9.270  -1.902
  647    H    MET  80           H        MET  80   4.391   8.691   3.483
  648    HA   MET  80           HA       MET  80   2.224   8.975   1.571
  649   1HB   MET  80          2HB       MET  80   2.970   6.794   2.429
  650   2HB   MET  80          3HB       MET  80   2.467   7.247   4.060
  651   1HG   MET  80          2HG       MET  80   0.265   7.084   3.622
  652   2HG   MET  80          3HG       MET  80   0.411   7.581   1.938
  653   1HE   MET  80          1HE       MET  80  -1.640   5.774   1.905
  654   2HE   MET  80          2HE       MET  80  -1.383   4.022   2.079
  655   3HE   MET  80          3HE       MET  80  -1.290   5.072   3.506
  656    H    ALA  81           H        ALA  81   1.988  11.227   2.058
  657    HA   ALA  81           HA       ALA  81   0.931  12.307   4.365
  658   1HB   ALA  81          1HB       ALA  81   0.437  13.214   1.494
  659   2HB   ALA  81          2HB       ALA  81   0.274  14.230   2.939
  660   3HB   ALA  81          3HB       ALA  81   1.868  13.609   2.476
  661    H    PHE  82           H        PHE  82  -0.603  10.129   2.762
  662    HA   PHE  82           HA       PHE  82  -3.387  10.748   2.586
  663   1HB   PHE  82          2HB       PHE  82  -2.244   8.819   1.520
  664   2HB   PHE  82          3HB       PHE  82  -2.009   8.091   3.104
  665    HD1  PHE  82           HD1      PHE  82  -3.475   6.320   3.581
  666    HD2  PHE  82           HD2      PHE  82  -4.854   9.519   1.030
  667    HE1  PHE  82           HE1      PHE  82  -5.644   5.173   3.314
  668    HE2  PHE  82           HE2      PHE  82  -7.037   8.389   0.809
  669    HZ   PHE  82           HZ       PHE  82  -7.449   6.224   1.983
  670    H    GLY  83           H        GLY  83  -5.168  10.116   3.912
  671   1HA   GLY  83          1HA       GLY  83  -4.713  10.639   6.779
  672   2HA   GLY  83          2HA       GLY  83  -6.266  10.510   5.954
  673    H    GLY  84           H        GLY  84  -6.017   7.972   4.810
  674   1HA   GLY  84          1HA       GLY  84  -5.520   5.664   5.584
  675   2HA   GLY  84          2HA       GLY  84  -6.075   6.151   7.180
  676    H    LEU  85           H        LEU  85  -7.088   4.015   5.673
  677    HA   LEU  85           HA       LEU  85  -9.916   4.737   5.086
  678   1HB   LEU  85          2HB       LEU  85  -8.262   2.252   4.475
  679   2HB   LEU  85          3HB       LEU  85  -9.983   2.412   4.171
  680    HG   LEU  85           HG       LEU  85  -7.762   3.999   2.820
  681   1HD1  LEU  85          1HD1      LEU  85  -9.731   1.907   1.800
  682   2HD1  LEU  85          2HD1      LEU  85  -8.536   2.789   0.815
  683   3HD1  LEU  85          3HD1      LEU  85  -7.997   1.667   2.079
  684   1HD2  LEU  85          1HD2      LEU  85  -9.722   5.454   3.007
  685   2HD2  LEU  85          2HD2      LEU  85  -9.574   4.866   1.349
  686   3HD2  LEU  85          3HD2      LEU  85 -10.786   4.138   2.431
  687    H    LYS  86           H        LYS  86 -10.519   5.024   7.256
  688    HA   LYS  86           HA       LYS  86 -10.436   2.945   9.284
  689   1HB   LYS  86          2HB       LYS  86 -12.216   5.375   8.820
  690   2HB   LYS  86          3HB       LYS  86 -12.485   4.275  10.180
  691   1HG   LYS  86          2HG       LYS  86 -10.247   4.625  11.026
  692   2HG   LYS  86          3HG       LYS  86  -9.820   5.640   9.635
  693   1HD   LYS  86          2HD       LYS  86 -11.334   7.385  10.322
  694   2HD   LYS  86          3HD       LYS  86 -12.116   6.336  11.514
  695   1HE   LYS  86          2HE       LYS  86 -10.566   7.953  12.577
  696   2HE   LYS  86          3HE       LYS  86 -10.161   6.263  12.902
  697   1HZ   LYS  86          1HZ       LYS  86  -8.809   7.976  10.890
  698   2HZ   LYS  86          2HZ       LYS  86  -8.185   7.502  12.337
  699   3HZ   LYS  86          3HZ       LYS  86  -8.472   6.393  11.156
  700    H    LYS  87           H        LYS  87 -12.306   3.091   6.463
  701    HA   LYS  87           HA       LYS  87 -14.620   1.534   7.336
  702   1HB   LYS  87          2HB       LYS  87 -13.483   2.479   4.698
  703   2HB   LYS  87          3HB       LYS  87 -14.740   1.249   4.717
  704   1HG   LYS  87          2HG       LYS  87 -15.149   3.897   6.147
  705   2HG   LYS  87          3HG       LYS  87 -15.399   3.721   4.419
  706   1HD   LYS  87          2HD       LYS  87 -16.835   1.537   5.397
  707   2HD   LYS  87          3HD       LYS  87 -17.050   2.726   6.678
  708   1HE   LYS  87          2HE       LYS  87 -18.873   2.939   5.131
  709   2HE   LYS  87          3HE       LYS  87 -17.852   4.374   4.950
  710   1HZ   LYS  87          1HZ       LYS  87 -17.653   1.993   3.163
  711   2HZ   LYS  87          2HZ       LYS  87 -18.521   3.350   2.770
  712   3HZ   LYS  87          3HZ       LYS  87 -16.875   3.324   2.946
  713    H    GLU  88           H        GLU  88 -13.877  -0.299   8.321
  714    HA   GLU  88           HA       GLU  88 -12.134  -2.249   7.482
  715   1HB   GLU  88          2HB       GLU  88 -13.667  -2.011   9.544
  716   2HB   GLU  88          3HB       GLU  88 -14.869  -2.908   8.656
  717   1HG   GLU  88          2HG       GLU  88 -12.025  -3.907   9.178
  718   2HG   GLU  88          3HG       GLU  88 -13.347  -4.158  10.314
  719    H    LYS  89           H        LYS  89 -15.471  -1.899   6.177
  720    HA   LYS  89           HA       LYS  89 -15.367  -4.152   4.383
  721   1HB   LYS  89          2HB       LYS  89 -16.936  -1.562   4.291
  722   2HB   LYS  89          3HB       LYS  89 -17.279  -2.972   3.317
  723   1HG   LYS  89          2HG       LYS  89 -17.409  -2.972   6.374
  724   2HG   LYS  89          3HG       LYS  89 -18.717  -2.534   5.304
  725   1HD   LYS  89          2HD       LYS  89 -19.210  -4.769   5.788
  726   2HD   LYS  89          3HD       LYS  89 -18.444  -4.866   4.213
  727   1HE   LYS  89          2HE       LYS  89 -17.554  -6.658   5.522
  728   2HE   LYS  89          3HE       LYS  89 -16.269  -5.465   5.384
  729   1HZ   LYS  89          1HZ       LYS  89 -17.907  -6.042   7.784
  730   2HZ   LYS  89          2HZ       LYS  89 -16.248  -6.020   7.588
  731   3HZ   LYS  89          3HZ       LYS  89 -17.005  -4.653   7.626
  732    H    ASP  90           H        ASP  90 -15.076  -0.662   3.546
  733    HA   ASP  90           HA       ASP  90 -14.370  -0.979   0.924
  734   1HB   ASP  90          2HB       ASP  90 -13.321   1.183   2.787
  735   2HB   ASP  90          3HB       ASP  90 -13.507   1.250   1.054
  736    H    ARG  91           H        ARG  91 -12.090  -0.843   3.737
  737    HA   ARG  91           HA       ARG  91  -9.728  -1.166   2.119
  738   1HB   ARG  91          2HB       ARG  91  -8.511  -1.398   4.105
  739   2HB   ARG  91          3HB       ARG  91  -9.817  -0.294   4.523
  740   1HG   ARG  91          2HG       ARG  91 -11.030  -2.224   5.545
  741   2HG   ARG  91          3HG       ARG  91  -9.668  -3.276   5.149
  742   1HD   ARG  91          2HD       ARG  91  -8.213  -1.727   6.554
  743   2HD   ARG  91          3HD       ARG  91  -9.716  -0.986   7.137
  744    HE   ARG  91           HE       ARG  91 -10.090  -3.738   7.441
  745   1HH1  ARG  91          1HH2      ARG  91  -7.728  -1.485   8.909
  746   2HH1  ARG  91          2HH2      ARG  91  -7.313  -2.683  10.073
  747   1HH2  ARG  91          1HH1      ARG  91  -9.589  -5.049   9.113
  748   2HH2  ARG  91          2HH1      ARG  91  -8.275  -4.615  10.170
  749    H    ASN  92           H        ASN  92 -11.972  -3.566   3.459
  750    HA   ASN  92           HA       ASN  92 -10.222  -5.848   2.949
  751   1HB   ASN  92          2HB       ASN  92 -13.161  -5.533   3.545
  752   2HB   ASN  92          3HB       ASN  92 -12.582  -7.040   2.870
  753   1HD2  ASN  92          2HD2      ASN  92 -13.370  -5.811   5.722
  754   2HD2  ASN  92          1HD2      ASN  92 -12.371  -6.762   6.749
  755    H    ASP  93           H        ASP  93 -12.785  -4.330   0.900
  756    HA   ASP  93           HA       ASP  93 -12.326  -6.129  -1.340
  757   1HB   ASP  93          2HB       ASP  93 -13.537  -3.373  -1.051
  758   2HB   ASP  93          3HB       ASP  93 -13.175  -4.008  -2.651
  759    H    LEU  94           H        LEU  94 -10.842  -3.019  -0.483
  760    HA   LEU  94           HA       LEU  94  -9.106  -2.770  -2.725
  761   1HB   LEU  94          2HB       LEU  94  -9.636  -0.963  -1.100
  762   2HB   LEU  94          3HB       LEU  94  -8.689  -1.809   0.120
  763    HG   LEU  94           HG       LEU  94  -6.645  -1.573  -1.346
  764   1HD1  LEU  94          1HD1      LEU  94  -8.489   0.250  -2.969
  765   2HD1  LEU  94          2HD1      LEU  94  -6.720   0.158  -3.129
  766   3HD1  LEU  94          3HD1      LEU  94  -7.714  -1.240  -3.549
  767   1HD2  LEU  94          1HD2      LEU  94  -7.116  -0.027   0.499
  768   2HD2  LEU  94          2HD2      LEU  94  -6.341   0.813  -0.852
  769   3HD2  LEU  94          3HD2      LEU  94  -8.087   0.992  -0.596
  770    H    ILE  95           H        ILE  95  -8.464  -4.415   0.430
  771    HA   ILE  95           HA       ILE  95  -5.795  -5.266  -0.233
  772    HB   ILE  95           HB       ILE  95  -7.861  -6.438   1.655
  773   1HG1  ILE  95          2HG1      ILE  95  -5.365  -4.927   2.505
  774   2HG1  ILE  95          3HG1      ILE  95  -6.770  -4.020   1.990
  775   1HG2  ILE  95          1HG2      ILE  95  -4.877  -7.076   1.396
  776   2HG2  ILE  95          2HG2      ILE  95  -5.905  -7.587   2.749
  777   3HG2  ILE  95          3HG2      ILE  95  -6.225  -8.205   1.141
  778   1HD1  ILE  95          1HD1      ILE  95  -6.657  -5.985   4.300
  779   2HD1  ILE  95          2HD1      ILE  95  -6.946  -4.223   4.336
  780   3HD1  ILE  95          3HD1      ILE  95  -8.170  -5.304   3.673
  781    H    THR  96           H        THR  96  -8.953  -6.926  -0.515
  782    HA   THR  96           HA       THR  96  -8.122  -9.337  -1.685
  783    HB   THR  96           HB       THR  96 -10.608  -7.831  -2.612
  784    HG1  THR  96           1HG      THR  96 -10.598  -7.913  -0.357
  785   1HG2  THR  96          1HG2      THR  96  -9.982 -10.802  -2.294
  786   2HG2  THR  96          2HG2      THR  96 -11.549 -10.125  -2.767
  787   3HG2  THR  96          3HG2      THR  96 -10.160  -9.935  -3.837
  788    H    TYR  97           H        TYR  97  -8.591  -6.217  -3.255
  789    HA   TYR  97           HA       TYR  97  -7.852  -7.069  -5.958
  790   1HB   TYR  97          2HB       TYR  97  -9.177  -5.119  -5.776
  791   2HB   TYR  97          3HB       TYR  97  -8.143  -4.405  -4.569
  792    HD1  TYR  97           HD1      TYR  97  -6.456  -2.917  -5.135
  793    HD2  TYR  97           HD2      TYR  97  -8.090  -5.478  -8.183
  794    HE1  TYR  97           HE1      TYR  97  -5.116  -1.730  -6.861
  795    HE2  TYR  97           HE2      TYR  97  -6.853  -4.189  -9.928
  796    HH   TYR  97           HH       TYR  97  -4.663  -1.518  -9.070
  797    H    LEU  98           H        LEU  98  -6.049  -5.214  -3.431
  798    HA   LEU  98           HA       LEU  98  -3.743  -4.844  -4.967
  799   1HB   LEU  98          2HB       LEU  98  -4.636  -4.342  -2.250
  800   2HB   LEU  98          3HB       LEU  98  -3.086  -5.068  -2.150
  801    HG   LEU  98           HG       LEU  98  -2.862  -2.699  -2.086
  802   1HD1  LEU  98          1HD1      LEU  98  -1.940  -3.525  -4.870
  803   2HD1  LEU  98          2HD1      LEU  98  -1.316  -2.200  -3.872
  804   3HD1  LEU  98          3HD1      LEU  98  -1.078  -3.878  -3.362
  805   1HD2  LEU  98          1HD2      LEU  98  -4.980  -2.131  -3.249
  806   2HD2  LEU  98          2HD2      LEU  98  -3.586  -1.174  -3.789
  807   3HD2  LEU  98          3HD2      LEU  98  -4.187  -2.503  -4.798
  808    H    LYS  99           H        LYS  99  -4.502  -7.536  -2.756
  809    HA   LYS  99           HA       LYS  99  -1.960  -8.888  -3.117
  810   1HB   LYS  99          2HB       LYS  99  -3.769  -9.163  -1.270
  811   2HB   LYS  99          3HB       LYS  99  -4.579 -10.263  -2.364
  812   1HG   LYS  99          2HG       LYS  99  -1.655 -10.813  -2.015
  813   2HG   LYS  99          3HG       LYS  99  -2.555 -10.828  -0.514
  814   1HD   LYS  99          2HD       LYS  99  -2.415 -13.057  -1.339
  815   2HD   LYS  99          3HD       LYS  99  -4.103 -12.541  -1.413
  816   1HE   LYS  99          2HE       LYS  99  -3.983 -12.220  -3.809
  817   2HE   LYS  99          3HE       LYS  99  -2.218 -12.334  -3.798
  818   1HZ   LYS  99          1HZ       LYS  99  -3.959 -14.626  -3.104
  819   2HZ   LYS  99          2HZ       LYS  99  -3.230 -14.350  -4.590
  820   3HZ   LYS  99          3HZ       LYS  99  -2.326 -14.625  -3.300
  821    H    LYS 100           H        LYS 100  -4.966  -8.971  -4.896
  822    HA   LYS 100           HA       LYS 100  -4.263 -11.142  -6.714
  823   1HB   LYS 100          2HB       LYS 100  -6.595  -9.987  -5.990
  824   2HB   LYS 100          3HB       LYS 100  -6.340  -9.117  -7.482
  825   1HG   LYS 100          2HG       LYS 100  -6.648 -12.130  -7.049
  826   2HG   LYS 100          3HG       LYS 100  -7.855 -11.015  -7.660
  827   1HD   LYS 100          2HD       LYS 100  -7.212 -11.921  -9.649
  828   2HD   LYS 100          3HD       LYS 100  -6.077 -10.569  -9.583
  829   1HE   LYS 100          2HE       LYS 100  -4.729 -12.495  -8.148
  830   2HE   LYS 100          3HE       LYS 100  -5.627 -13.541  -9.228
  831   1HZ   LYS 100          1HZ       LYS 100  -3.828 -11.322  -9.983
  832   2HZ   LYS 100          2HZ       LYS 100  -3.429 -12.894  -9.969
  833   3HZ   LYS 100          3HZ       LYS 100  -4.539 -12.365 -11.087
  834    H    ALA 101           H        ALA 101  -3.371  -7.853  -6.543
  835    HA   ALA 101           HA       ALA 101  -2.784  -7.506  -9.406
  836   1HB   ALA 101          1HB       ALA 101  -1.963  -5.801  -7.017
  837   2HB   ALA 101          2HB       ALA 101  -1.818  -5.399  -8.722
  838   3HB   ALA 101          3HB       ALA 101  -3.436  -5.565  -7.995
  839    H    THR 102           H        THR 102  -1.070  -8.530  -6.473
  840    HA   THR 102           HA       THR 102   1.498  -8.848  -7.880
  841    HB   THR 102           HB       THR 102   1.947 -10.298  -5.699
  842    HG1  THR 102           1HG      THR 102  -0.287 -10.091  -4.973
  843   1HG2  THR 102          1HG2      THR 102   1.645  -7.266  -5.661
  844   2HG2  THR 102          2HG2      THR 102   2.639  -8.243  -4.553
  845   3HG2  THR 102          3HG2      THR 102   3.043  -8.186  -6.281
  846    H    GLU 103           H        GLU 103  -1.135 -11.102  -6.768
  847    HA   GLU 103           HA       GLU 103  -0.169 -13.096  -8.696
  848   1HB   GLU 103          2HB       GLU 103   0.014 -14.861  -7.116
  849   2HB   GLU 103          3HB       GLU 103   1.157 -13.588  -6.692
  850   1HG   GLU 103          2HG       GLU 103  -0.310 -12.861  -4.842
  851   2HG   GLU 103          3HG       GLU 103  -1.546 -13.970  -5.410
  852    HHA  HEC 104           HHA      HEC 104   5.316   3.455   1.009
  853    HHB  HEC 104           HHB      HEC 104  -0.346   0.570  -0.311
  854    HHC  HEC 104           HHC      HEC 104  -3.065   6.394  -1.187
  855    HHD  HEC 104           HHD      HEC 104   2.817   9.005  -1.100
  856   1HMA  HEC 104          1HMA      HEC 104   2.247  -1.136   1.340
  857   2HMA  HEC 104          2HMA      HEC 104   1.169  -0.982  -0.067
  858   3HMA  HEC 104          3HMA      HEC 104   2.916  -1.092  -0.293
  859   1HAA  HEC 104          1HAA      HEC 104   4.447  -0.232   1.693
  860   2HAA  HEC 104          2HAA      HEC 104   5.068   1.346   2.176
  861   1HBA  HEC 104          1HBA      HEC 104   6.161   1.541  -0.067
  862   2HBA  HEC 104          2HBA      HEC 104   5.527  -0.042  -0.505
  863   1HMB  HEC 104          1HMB      HEC 104  -2.611   0.325  -0.314
  864   2HMB  HEC 104          2HMB      HEC 104  -4.064   1.088  -0.942
  865   3HMB  HEC 104          3HMB      HEC 104  -2.749   0.663  -2.051
  866    HAB  HEC 104           HAB      HEC 104  -4.500   4.977  -1.436
  867   1HBB  HEC 104          1HBB      HEC 104  -4.838   4.275   0.847
  868   2HBB  HEC 104          2HBB      HEC 104  -6.284   4.032  -0.152
  869   3HBB  HEC 104          3HBB      HEC 104  -5.273   2.643   0.297
  870   1HMC  HEC 104          1HMC      HEC 104  -3.173   8.950  -0.848
  871   2HMC  HEC 104          2HMC      HEC 104  -2.379  10.025  -2.005
  872   3HMC  HEC 104          3HMC      HEC 104  -2.953   8.439  -2.532
  873    HAC  HEC 104           HAC      HEC 104   1.535  10.224  -2.140
  874   1HBC  HEC 104          1HBC      HEC 104   0.553  11.297  -0.209
  875   2HBC  HEC 104          2HBC      HEC 104   0.488  12.324  -1.656
  876   3HBC  HEC 104          3HBC      HEC 104  -0.979  11.509  -1.080
  877   1HMD  HEC 104          1HMD      HEC 104   5.056   9.350  -0.202
  878   2HMD  HEC 104          2HMD      HEC 104   6.508   8.411  -0.631
  879   3HMD  HEC 104          3HMD      HEC 104   5.197   8.641  -1.795
  880   1HAD  HEC 104          1HAD      HEC 104   7.352   6.597   0.208
  881   2HAD  HEC 104          2HAD      HEC 104   7.032   4.934   0.648
  882   1HBD  HEC 104          1HBD      HEC 104   6.588   5.456   2.890
  883   2HBD  HEC 104          2HBD      HEC 104   6.079   7.092   2.496
  Start of MODEL   34
    1   1H    THR  -5          H1        THR  -5 -12.291  -7.374  11.101
    2   2H    THR  -5          H2        THR  -5 -11.390  -6.616  12.215
    3   3H    THR  -5          H3        THR  -5 -12.368  -7.852  12.683
    4    HA   THR  -5           HA       THR  -5 -10.053  -8.178  10.905
    5    HB   THR  -5           HB       THR  -5  -9.311  -9.614  13.011
    6    HG1  THR  -5           1HG      THR  -5  -9.909  -8.469  14.894
    7   1HG2  THR  -5          1HG2      THR  -5  -9.062  -6.571  12.977
    8   2HG2  THR  -5          2HG2      THR  -5  -8.025  -7.709  13.862
    9   3HG2  THR  -5          3HG2      THR  -5  -8.022  -7.715  12.096
   10    H    GLU  -4           H        GLU  -4  -9.590 -10.312  10.377
   11    HA   GLU  -4           HA       GLU  -4 -10.406 -12.418   9.529
   12   1HB   GLU  -4          2HB       GLU  -4 -12.666 -12.418  10.668
   13   2HB   GLU  -4          3HB       GLU  -4 -13.152 -11.106   9.569
   14   1HG   GLU  -4          2HG       GLU  -4 -12.433 -12.735   7.656
   15   2HG   GLU  -4          3HG       GLU  -4 -12.401 -13.978   8.901
   16    H    PHE  -3           H        PHE  -3  -9.296 -11.908   7.677
   17    HA   PHE  -3           HA       PHE  -3  -9.959  -9.659   5.951
   18   1HB   PHE  -3          2HB       PHE  -3  -7.750 -10.622   5.780
   19   2HB   PHE  -3          3HB       PHE  -3  -8.420 -12.214   5.442
   20    HD1  PHE  -3           HD1      PHE  -3  -7.826 -12.799   3.245
   21    HD2  PHE  -3           HD2      PHE  -3  -9.182  -8.782   4.014
   22    HE1  PHE  -3           HE1      PHE  -3  -7.941 -12.371   0.811
   23    HE2  PHE  -3           HE2      PHE  -3  -9.344  -8.368   1.594
   24    HZ   PHE  -3           HZ       PHE  -3  -8.759 -10.163  -0.030
   25    H    LYS  -2           H        LYS  -2 -12.254 -10.007   6.303
   26    HA   LYS  -2           HA       LYS  -2 -13.662 -12.168   4.985
   27   1HB   LYS  -2          2HB       LYS  -2 -14.426 -10.769   6.977
   28   2HB   LYS  -2          3HB       LYS  -2 -14.871  -9.497   5.834
   29   1HG   LYS  -2          2HG       LYS  -2 -16.436 -11.032   4.701
   30   2HG   LYS  -2          3HG       LYS  -2 -15.824 -12.391   5.642
   31   1HD   LYS  -2          2HD       LYS  -2 -16.596 -10.813   7.713
   32   2HD   LYS  -2          3HD       LYS  -2 -17.672 -10.171   6.469
   33   1HE   LYS  -2          2HE       LYS  -2 -18.885 -11.904   7.570
   34   2HE   LYS  -2          3HE       LYS  -2 -18.386 -12.595   6.013
   35   1HZ   LYS  -2          1HZ       LYS  -2 -16.854 -12.984   8.544
   36   2HZ   LYS  -2          2HZ       LYS  -2 -17.917 -14.118   7.950
   37   3HZ   LYS  -2          3HZ       LYS  -2 -16.508 -13.669   7.212
   38    H    ALA  -1           H        ALA  -1 -12.715 -12.192   3.057
   39    HA   ALA  -1           HA       ALA  -1 -11.927 -10.331   1.360
   40   1HB   ALA  -1          1HB       ALA  -1 -13.237 -12.938   0.483
   41   2HB   ALA  -1          2HB       ALA  -1 -12.080 -11.987  -0.469
   42   3HB   ALA  -1          3HB       ALA  -1 -11.558 -12.743   1.052
   43    H    GLY   1           H        GLY   1 -12.516  -9.181  -0.445
   44   1HA   GLY   1          1HA       GLY   1 -15.404  -8.469  -0.686
   45   2HA   GLY   1          2HA       GLY   1 -14.032  -7.436  -1.101
   46    H    SER   2           H        SER   2 -14.651  -7.097  -3.148
   47    HA   SER   2           HA       SER   2 -14.540  -9.401  -5.088
   48   1HB   SER   2          2HB       SER   2 -16.881  -8.521  -4.675
   49   2HB   SER   2          3HB       SER   2 -16.348  -6.998  -5.409
   50    HG   SER   2           HG       SER   2 -16.486  -9.593  -6.531
   51    H    ALA   3           H        ALA   3 -12.739  -9.168  -6.275
   52    HA   ALA   3           HA       ALA   3 -11.009  -7.069  -6.143
   53   1HB   ALA   3          1HB       ALA   3 -11.303  -8.948  -8.518
   54   2HB   ALA   3          2HB       ALA   3  -9.851  -8.025  -8.076
   55   3HB   ALA   3          3HB       ALA   3 -10.444  -9.300  -6.998
   56    H    LYS   4           H        LYS   4 -13.740  -7.079  -8.356
   57    HA   LYS   4           HA       LYS   4 -12.864  -4.748  -9.852
   58   1HB   LYS   4          2HB       LYS   4 -15.084  -4.706 -10.846
   59   2HB   LYS   4          3HB       LYS   4 -14.415  -6.335 -10.839
   60   1HG   LYS   4          2HG       LYS   4 -15.813  -6.777  -8.724
   61   2HG   LYS   4          3HG       LYS   4 -16.612  -5.225  -9.035
   62   1HD   LYS   4          2HD       LYS   4 -17.307  -6.067 -11.296
   63   2HD   LYS   4          3HD       LYS   4 -16.450  -7.575 -10.976
   64   1HE   LYS   4          2HE       LYS   4 -18.659  -8.134 -10.544
   65   2HE   LYS   4          3HE       LYS   4 -17.953  -7.908  -8.940
   66   1HZ   LYS   4          1HZ       LYS   4 -19.567  -5.872 -10.397
   67   2HZ   LYS   4          2HZ       LYS   4 -20.143  -6.840  -9.202
   68   3HZ   LYS   4          3HZ       LYS   4 -18.994  -5.720  -8.864
   69    H    LYS   5           H        LYS   5 -14.404  -5.013  -6.933
   70    HA   LYS   5           HA       LYS   5 -15.185  -2.119  -6.648
   71   1HB   LYS   5          2HB       LYS   5 -15.389  -4.533  -4.851
   72   2HB   LYS   5          3HB       LYS   5 -15.209  -2.953  -4.105
   73   1HG   LYS   5          2HG       LYS   5 -17.334  -3.442  -6.188
   74   2HG   LYS   5          3HG       LYS   5 -17.593  -3.921  -4.516
   75   1HD   LYS   5          2HD       LYS   5 -16.729  -1.065  -5.094
   76   2HD   LYS   5          3HD       LYS   5 -18.383  -1.571  -5.407
   77   1HE   LYS   5          2HE       LYS   5 -18.512  -0.680  -3.267
   78   2HE   LYS   5          3HE       LYS   5 -18.530  -2.428  -3.027
   79   1HZ   LYS   5          1HZ       LYS   5 -16.104  -0.740  -2.661
   80   2HZ   LYS   5          2HZ       LYS   5 -17.068  -1.317  -1.455
   81   3HZ   LYS   5          3HZ       LYS   5 -16.241  -2.351  -2.345
   82    H    GLY   6           H        GLY   6 -12.763  -4.357  -5.234
   83   1HA   GLY   6          1HA       GLY   6 -11.048  -2.457  -4.066
   84   2HA   GLY   6          2HA       GLY   6 -10.509  -3.970  -4.800
   85    H    ALA   7           H        ALA   7 -10.884  -3.600  -7.477
   86    HA   ALA   7           HA       ALA   7  -8.836  -1.957  -8.401
   87   1HB   ALA   7          1HB       ALA   7 -11.320  -2.876  -9.927
   88   2HB   ALA   7          2HB       ALA   7  -9.763  -2.384 -10.631
   89   3HB   ALA   7          3HB       ALA   7  -9.873  -3.857  -9.659
   90    H    THR   8           H        THR   8 -12.359  -1.239  -8.676
   91    HA   THR   8           HA       THR   8 -11.959   1.386  -9.794
   92    HB   THR   8           HB       THR   8 -14.345   1.836  -9.005
   93    HG1  THR   8           1HG      THR   8 -14.302  -0.952  -8.543
   94   1HG2  THR   8          1HG2      THR   8 -13.811  -0.633 -10.719
   95   2HG2  THR   8          2HG2      THR   8 -15.317   0.311 -10.678
   96   3HG2  THR   8          3HG2      THR   8 -13.825   1.054 -11.280
   97    H    LEU   9           H        LEU   9 -11.979   0.370  -6.396
   98    HA   LEU   9           HA       LEU   9 -12.057   3.024  -5.345
   99   1HB   LEU   9          2HB       LEU   9 -12.769   0.771  -4.296
  100   2HB   LEU   9          3HB       LEU   9 -11.075   0.496  -3.937
  101    HG   LEU   9           HG       LEU   9 -11.938   3.188  -3.185
  102   1HD1  LEU   9          1HD1      LEU   9 -13.464   0.917  -1.865
  103   2HD1  LEU   9          2HD1      LEU   9 -13.488   2.614  -1.352
  104   3HD1  LEU   9          3HD1      LEU   9 -14.155   2.164  -2.933
  105   1HD2  LEU   9          1HD2      LEU   9  -9.947   2.129  -2.204
  106   2HD2  LEU   9          2HD2      LEU   9 -11.111   2.561  -0.936
  107   3HD2  LEU   9          3HD2      LEU   9 -10.972   0.876  -1.465
  108    H    PHE  10           H        PHE  10  -9.401   0.606  -5.710
  109    HA   PHE  10           HA       PHE  10  -7.153   2.163  -5.055
  110   1HB   PHE  10          2HB       PHE  10  -7.041  -0.233  -5.678
  111   2HB   PHE  10          3HB       PHE  10  -7.473   0.149  -7.325
  112    HD1  PHE  10           HD1      PHE  10  -5.772   0.730  -8.929
  113    HD2  PHE  10           HD2      PHE  10  -4.840   0.619  -4.722
  114    HE1  PHE  10           HE1      PHE  10  -3.345   0.965  -9.444
  115    HE2  PHE  10           HE2      PHE  10  -2.439   0.999  -5.258
  116    HZ   PHE  10           HZ       PHE  10  -1.693   1.198  -7.598
  117    H    LYS  11           H        LYS  11  -8.827   1.989  -8.136
  118    HA   LYS  11           HA       LYS  11  -7.231   3.738  -9.680
  119   1HB   LYS  11          2HB       LYS  11  -8.914   2.030 -10.400
  120   2HB   LYS  11          3HB       LYS  11 -10.201   3.180 -10.010
  121   1HG   LYS  11          2HG       LYS  11  -9.348   4.701 -11.770
  122   2HG   LYS  11          3HG       LYS  11  -7.978   3.601 -12.056
  123   1HD   LYS  11          2HD       LYS  11  -9.629   1.781 -12.607
  124   2HD   LYS  11          3HD       LYS  11 -10.933   2.966 -12.492
  125   1HE   LYS  11          2HE       LYS  11  -8.551   3.058 -14.409
  126   2HE   LYS  11          3HE       LYS  11 -10.175   2.510 -14.828
  127   1HZ   LYS  11          1HZ       LYS  11  -9.432   5.256 -14.003
  128   2HZ   LYS  11          2HZ       LYS  11  -9.925   4.784 -15.502
  129   3HZ   LYS  11          3HZ       LYS  11 -10.981   4.760 -14.243
  130    H    THR  12           H        THR  12  -9.421   4.688  -7.211
  131    HA   THR  12           HA       THR  12  -9.076   7.561  -7.963
  132    HB   THR  12           HB       THR  12 -11.351   6.697  -8.531
  133    HG1  THR  12           1HG      THR  12 -11.041   8.707  -6.584
  134   1HG2  THR  12          1HG2      THR  12 -11.821   6.644  -5.515
  135   2HG2  THR  12          2HG2      THR  12 -12.996   6.358  -6.808
  136   3HG2  THR  12          3HG2      THR  12 -11.683   5.200  -6.541
  137    H    ARG  13           H        ARG  13  -7.863   5.582  -5.912
  138    HA   ARG  13           HA       ARG  13  -7.900   7.512  -3.607
  139   1HB   ARG  13          2HB       ARG  13  -7.943   4.466  -3.464
  140   2HB   ARG  13          3HB       ARG  13  -7.720   5.509  -2.074
  141   1HG   ARG  13          2HG       ARG  13 -10.256   5.505  -3.778
  142   2HG   ARG  13          3HG       ARG  13  -9.976   4.503  -2.360
  143   1HD   ARG  13          2HD       ARG  13  -9.544   6.742  -1.113
  144   2HD   ARG  13          3HD       ARG  13 -10.337   7.486  -2.518
  145    HE   ARG  13           HE       ARG  13 -11.662   5.216  -1.103
  146   1HH1  ARG  13          1HH2      ARG  13 -11.913   8.604  -1.868
  147   2HH1  ARG  13          2HH2      ARG  13 -13.523   8.734  -1.236
  148   1HH2  ARG  13          1HH1      ARG  13 -13.729   5.395  -0.323
  149   2HH2  ARG  13          2HH1      ARG  13 -14.546   6.911  -0.518
  150    H    CYS  14           H        CYS  14  -6.067   4.953  -5.240
  151    HA   CYS  14           HA       CYS  14  -3.584   5.799  -3.778
  152   1HB   CYS  14          2HB       CYS  14  -4.059   3.115  -4.986
  153   2HB   CYS  14          3HB       CYS  14  -2.917   3.527  -3.730
  154    H    LEU  15           H        LEU  15  -4.894   4.574  -6.876
  155    HA   LEU  15           HA       LEU  15  -2.569   4.305  -8.351
  156   1HB   LEU  15          2HB       LEU  15  -4.763   3.505  -9.029
  157   2HB   LEU  15          3HB       LEU  15  -5.321   5.169  -9.244
  158    HG   LEU  15           HG       LEU  15  -3.666   5.498 -11.043
  159   1HD1  LEU  15          1HD1      LEU  15  -3.095   2.520 -10.918
  160   2HD1  LEU  15          2HD1      LEU  15  -2.476   3.671 -12.096
  161   3HD1  LEU  15          3HD1      LEU  15  -1.948   3.790 -10.419
  162   1HD2  LEU  15          1HD2      LEU  15  -5.946   4.812 -11.556
  163   2HD2  LEU  15          2HD2      LEU  15  -4.806   4.125 -12.725
  164   3HD2  LEU  15          3HD2      LEU  15  -5.472   3.093 -11.441
  165    H    GLN  16           H        GLN  16  -4.092   7.350  -7.505
  166    HA   GLN  16           HA       GLN  16  -2.755   9.120  -9.241
  167   1HB   GLN  16          2HB       GLN  16  -3.055  10.785  -7.442
  168   2HB   GLN  16          3HB       GLN  16  -4.495   9.859  -7.842
  169   1HG   GLN  16          2HG       GLN  16  -3.885   8.374  -5.760
  170   2HG   GLN  16          3HG       GLN  16  -2.787   9.696  -5.340
  171   1HE2  GLN  16          2HE2      GLN  16  -3.839  10.911  -3.651
  172   2HE2  GLN  16          1HE2      GLN  16  -5.565  11.263  -3.823
  173    H    CYS  17           H        CYS  17  -1.409   7.679  -6.186
  174    HA   CYS  17           HA       CYS  17   1.114   9.229  -6.637
  175   1HB   CYS  17          2HB       CYS  17   0.035   7.720  -4.249
  176   2HB   CYS  17          3HB       CYS  17   1.621   8.467  -4.311
  177    H    HIS  18           H        HIS  18  -0.168   5.998  -6.634
  178    HA   HIS  18           HA       HIS  18   2.535   4.714  -6.742
  179   1HB   HIS  18          1HB       HIS  18  -0.225   3.826  -5.765
  180   2HB   HIS  18          2HB       HIS  18   1.065   2.704  -6.041
  181    HD1  HIS  18           HD1      HIS  18   3.497   3.470  -4.629
  182    HD2  HIS  18           HD2      HIS  18  -0.328   4.547  -3.255
  183    HE1  HIS  18           HE1      HIS  18   3.730   3.921  -2.133
  184    H    THR  19           H        THR  19   2.352   2.520  -7.804
  185    HA   THR  19           HA       THR  19   0.274   2.102  -9.862
  186    HB   THR  19           HB       THR  19   1.991   0.992 -11.263
  187    HG1  THR  19           1HG      THR  19   3.871   2.878 -10.574
  188   1HG2  THR  19          1HG2      THR  19   2.088   4.023 -11.194
  189   2HG2  THR  19          2HG2      THR  19   2.495   2.980 -12.574
  190   3HG2  THR  19          3HG2      THR  19   0.828   3.040 -11.977
  191    H    VAL  20           H        VAL  20  -0.013  -0.179 -10.218
  192    HA   VAL  20           HA       VAL  20   1.270  -2.021  -8.242
  193    HB   VAL  20           HB       VAL  20  -1.125  -1.360  -7.727
  194   1HG1  VAL  20          1HG1      VAL  20  -1.774  -3.301  -9.979
  195   2HG1  VAL  20          2HG1      VAL  20  -2.909  -2.592  -8.821
  196   3HG1  VAL  20          3HG1      VAL  20  -2.076  -1.550  -9.996
  197   1HG2  VAL  20          1HG2      VAL  20  -0.012  -3.239  -6.624
  198   2HG2  VAL  20          2HG2      VAL  20  -1.705  -3.610  -6.945
  199   3HG2  VAL  20          3HG2      VAL  20  -0.426  -4.310  -7.961
  200    H    GLU  21           H        GLU  21   0.774  -1.267 -11.402
  201    HA   GLU  21           HA       GLU  21   1.213  -3.862 -12.599
  202   1HB   GLU  21          2HB       GLU  21   2.113  -2.303 -14.546
  203   2HB   GLU  21          3HB       GLU  21   0.426  -2.599 -14.245
  204   1HG   GLU  21          2HG       GLU  21   1.914  -0.137 -13.232
  205   2HG   GLU  21          3HG       GLU  21   1.065  -0.203 -14.764
  206    H    LYS  22           H        LYS  22   2.971  -4.757 -13.436
  207    HA   LYS  22           HA       LYS  22   5.356  -4.665 -11.827
  208   1HB   LYS  22          2HB       LYS  22   4.258  -6.710 -12.795
  209   2HB   LYS  22          3HB       LYS  22   4.788  -6.210 -14.399
  210   1HG   LYS  22          2HG       LYS  22   7.161  -6.316 -13.653
  211   2HG   LYS  22          3HG       LYS  22   6.633  -6.788 -12.028
  212   1HD   LYS  22          2HD       LYS  22   5.498  -8.795 -13.046
  213   2HD   LYS  22          3HD       LYS  22   6.163  -8.335 -14.611
  214   1HE   LYS  22          2HE       LYS  22   7.713  -9.063 -12.071
  215   2HE   LYS  22          3HE       LYS  22   7.483 -10.121 -13.464
  216   1HZ   LYS  22          1HZ       LYS  22   8.992  -7.559 -13.488
  217   2HZ   LYS  22          2HZ       LYS  22   9.662  -9.049 -13.514
  218   3HZ   LYS  22          3HZ       LYS  22   8.775  -8.522 -14.796
  219    H    GLY  23           H        GLY  23   6.861  -3.112 -12.057
  220   1HA   GLY  23          1HA       GLY  23   8.646  -1.970 -13.045
  221   2HA   GLY  23          2HA       GLY  23   8.342  -2.827 -14.555
  222    H    GLY  24           H        GLY  24   5.593  -1.154 -13.289
  223   1HA   GLY  24          1HA       GLY  24   5.603   0.960 -15.302
  224   2HA   GLY  24          2HA       GLY  24   4.518   0.826 -13.903
  225    HA   PRO  25           HA       PRO  25   7.837   4.129 -13.253
  226   1HB   PRO  25          2HB       PRO  25   6.282   6.390 -13.170
  227   2HB   PRO  25          3HB       PRO  25   6.935   5.684 -14.681
  228   1HG   PRO  25          2HG       PRO  25   4.168   5.294 -13.491
  229   2HG   PRO  25          3HG       PRO  25   4.599   5.708 -15.181
  230   1HD   PRO  25          2HD       PRO  25   4.055   3.147 -14.422
  231   2HD   PRO  25          3HD       PRO  25   5.321   3.503 -15.635
  232    H    HIS  26           H        HIS  26   8.482   4.050 -11.235
  233    HA   HIS  26           HA       HIS  26   6.974   4.533  -8.803
  234   1HB   HIS  26          2HB       HIS  26   9.841   5.217  -9.614
  235   2HB   HIS  26          3HB       HIS  26   9.166   5.391  -7.997
  236    HD1  HIS  26           HD1      HIS  26   7.808   2.211  -8.933
  237    HD2  HIS  26           HD2      HIS  26  11.673   3.609  -8.148
  238    HE1  HIS  26           HE1      HIS  26   9.121   0.234  -7.951
  239    H    LYS  27           H        LYS  27   5.911   6.413  -8.259
  240    HA   LYS  27           HA       LYS  27   6.555   8.966  -9.641
  241   1HB   LYS  27          2HB       LYS  27   3.962   7.697  -8.707
  242   2HB   LYS  27          3HB       LYS  27   4.094   9.379  -9.182
  243   1HG   LYS  27          2HG       LYS  27   4.767   8.771 -11.449
  244   2HG   LYS  27          3HG       LYS  27   4.626   7.051 -11.046
  245   1HD   LYS  27          2HD       LYS  27   2.346   9.073 -10.824
  246   2HD   LYS  27          3HD       LYS  27   2.607   8.006 -12.217
  247   1HE   LYS  27          2HE       LYS  27   2.294   6.019 -10.867
  248   2HE   LYS  27          3HE       LYS  27   2.262   6.949  -9.374
  249   1HZ   LYS  27          1HZ       LYS  27   0.203   7.160 -11.486
  250   2HZ   LYS  27          2HZ       LYS  27   0.037   6.357 -10.066
  251   3HZ   LYS  27          3HZ       LYS  27   0.200   7.967 -10.040
  252    H    VAL  28           H        VAL  28   4.318   9.603  -7.417
  253    HA   VAL  28           HA       VAL  28   5.912  10.897  -5.433
  254    HB   VAL  28           HB       VAL  28   3.047   9.885  -5.229
  255   1HG1  VAL  28          1HG1      VAL  28   4.482  12.103  -3.705
  256   2HG1  VAL  28          2HG1      VAL  28   2.742  11.752  -3.612
  257   3HG1  VAL  28          3HG1      VAL  28   3.912  10.568  -3.025
  258   1HG2  VAL  28          1HG2      VAL  28   3.250  11.342  -7.196
  259   2HG2  VAL  28          2HG2      VAL  28   2.371  12.164  -5.911
  260   3HG2  VAL  28          3HG2      VAL  28   4.076  12.570  -6.210
  261    H    GLY  29           H        GLY  29   4.445   7.654  -5.581
  262   1HA   GLY  29          1HA       GLY  29   6.337   6.774  -3.458
  263   2HA   GLY  29          2HA       GLY  29   4.690   6.124  -3.529
  264    HA   PRO  30           HA       PRO  30   7.521   3.729  -6.430
  265   1HB   PRO  30          2HB       PRO  30   7.839   1.384  -5.125
  266   2HB   PRO  30          3HB       PRO  30   8.756   2.843  -4.645
  267   1HG   PRO  30          2HG       PRO  30   6.159   1.803  -3.440
  268   2HG   PRO  30          3HG       PRO  30   7.690   2.199  -2.598
  269   1HD   PRO  30          2HD       PRO  30   5.657   4.002  -2.803
  270   2HD   PRO  30          3HD       PRO  30   7.355   4.510  -2.844
  271    H    ASN  31           H        ASN  31   7.036   1.180  -7.067
  272    HA   ASN  31           HA       ASN  31   4.234   0.871  -7.816
  273   1HB   ASN  31          2HB       ASN  31   6.814  -0.714  -8.191
  274   2HB   ASN  31          3HB       ASN  31   5.258  -1.281  -8.735
  275   1HD2  ASN  31          2HD2      ASN  31   5.040  -0.943 -11.045
  276   2HD2  ASN  31          1HD2      ASN  31   5.956   0.453 -11.692
  277    H    LEU  32           H        LEU  32   3.089  -1.053  -7.190
  278    HA   LEU  32           HA       LEU  32   3.725  -2.160  -4.483
  279   1HB   LEU  32          2HB       LEU  32   1.062  -1.503  -5.789
  280   2HB   LEU  32          3HB       LEU  32   1.260  -2.189  -4.180
  281    HG   LEU  32           HG       LEU  32   2.227   0.578  -5.045
  282   1HD1  LEU  32          1HD1      LEU  32  -0.180  -0.284  -3.388
  283   2HD1  LEU  32          2HD1      LEU  32   0.342   1.384  -3.670
  284   3HD1  LEU  32          3HD1      LEU  32  -0.210   0.394  -5.035
  285   1HD2  LEU  32          1HD2      LEU  32   3.575  -0.279  -3.180
  286   2HD2  LEU  32          2HD2      LEU  32   2.481   0.987  -2.618
  287   3HD2  LEU  32          3HD2      LEU  32   2.100  -0.717  -2.286
  288    H    HIS  33           H        HIS  33   4.171  -3.300  -7.352
  289    HA   HIS  33           HA       HIS  33   2.647  -5.825  -7.377
  290   1HB   HIS  33          2HB       HIS  33   3.318  -4.440  -9.455
  291   2HB   HIS  33          3HB       HIS  33   4.970  -4.878  -9.126
  292    HD1  HIS  33           HD1      HIS  33   1.585  -6.679  -9.847
  293    HD2  HIS  33           HD2      HIS  33   5.758  -7.295  -9.867
  294    HE1  HIS  33           HE1      HIS  33   1.974  -8.879 -11.028
  295    H    GLY  34           H        GLY  34   3.342  -7.185  -5.811
  296   1HA   GLY  34          1HA       GLY  34   4.805  -8.941  -5.097
  297   2HA   GLY  34          2HA       GLY  34   6.122  -8.217  -6.000
  298    H    ILE  35           H        ILE  35   4.549  -6.014  -3.888
  299    HA   ILE  35           HA       ILE  35   6.754  -5.958  -1.985
  300    HB   ILE  35           HB       ILE  35   5.447  -4.220  -0.794
  301   1HG1  ILE  35          2HG1      ILE  35   3.506  -3.239  -2.328
  302   2HG1  ILE  35          3HG1      ILE  35   3.325  -4.903  -2.854
  303   1HG2  ILE  35          1HG2      ILE  35   5.712  -3.718  -3.788
  304   2HG2  ILE  35          2HG2      ILE  35   5.760  -2.514  -2.485
  305   3HG2  ILE  35          3HG2      ILE  35   7.051  -3.705  -2.620
  306   1HD1  ILE  35          1HD1      ILE  35   2.980  -3.756  -0.067
  307   2HD1  ILE  35          2HD1      ILE  35   1.787  -4.563  -1.125
  308   3HD1  ILE  35          3HD1      ILE  35   3.056  -5.500  -0.348
  309    H    PHE  36           H        PHE  36   3.698  -7.710  -2.056
  310    HA   PHE  36           HA       PHE  36   3.556  -8.309   0.751
  311   1HB   PHE  36          2HB       PHE  36   2.470  -9.673  -1.736
  312   2HB   PHE  36          3HB       PHE  36   2.215 -10.289  -0.116
  313    HD1  PHE  36           HD1      PHE  36   1.131  -8.739   1.650
  314    HD2  PHE  36           HD2      PHE  36   0.910  -8.057  -2.610
  315    HE1  PHE  36           HE1      PHE  36  -0.903  -7.364   1.974
  316    HE2  PHE  36           HE2      PHE  36  -1.132  -6.701  -2.282
  317    HZ   PHE  36           HZ       PHE  36  -2.066  -6.376   0.009
  318    H    GLY  37           H        GLY  37   4.792  -9.542   1.857
  319   1HA   GLY  37          1HA       GLY  37   6.334 -11.292   2.421
  320   2HA   GLY  37          2HA       GLY  37   6.487 -11.723   0.716
  321    H    ARG  38           H        ARG  38   6.801  -8.340   1.344
  322    HA   ARG  38           HA       ARG  38   9.760  -8.524   1.652
  323   1HB   ARG  38          2HB       ARG  38   8.494  -7.525  -0.612
  324   2HB   ARG  38          3HB       ARG  38   8.696  -6.063   0.328
  325   1HG   ARG  38          2HG       ARG  38  10.661  -6.255  -1.004
  326   2HG   ARG  38          3HG       ARG  38  11.148  -6.765   0.624
  327   1HD   ARG  38          2HD       ARG  38  10.407  -9.173  -0.296
  328   2HD   ARG  38          3HD       ARG  38  10.642  -8.389  -1.860
  329    HE   ARG  38           HE       ARG  38  12.947  -7.798  -0.399
  330   1HH1  ARG  38          1HH2      ARG  38  11.382 -10.792  -1.250
  331   2HH1  ARG  38          2HH2      ARG  38  12.841 -11.743  -1.228
  332   1HH2  ARG  38          1HH1      ARG  38  14.807  -9.005  -0.406
  333   2HH2  ARG  38          2HH1      ARG  38  14.757 -10.724  -0.733
  334    H    HIS  39           H        HIS  39  10.676  -6.488   2.390
  335    HA   HIS  39           HA       HIS  39   9.348  -5.756   4.964
  336   1HB   HIS  39          2HB       HIS  39  12.264  -5.531   4.117
  337   2HB   HIS  39          3HB       HIS  39  11.593  -5.034   5.673
  338    HD1  HIS  39           HD1      HIS  39  13.013  -8.061   4.077
  339    HD2  HIS  39           HD2      HIS  39  10.259  -7.056   7.079
  340    HE1  HIS  39           HE1      HIS  39  12.572 -10.223   5.411
  341    H    SER  40           H        SER  40   8.713  -3.707   5.355
  342    HA   SER  40           HA       SER  40   8.252  -1.954   3.373
  343   1HB   SER  40          2HB       SER  40   7.713  -0.250   4.991
  344   2HB   SER  40          3HB       SER  40   7.192  -1.835   5.564
  345    HG   SER  40           HG       SER  40   9.474  -0.357   6.377
  346    H    GLY  41           H        GLY  41   9.284  -0.685   2.106
  347   1HA   GLY  41          1HA       GLY  41  10.918   0.928   1.483
  348   2HA   GLY  41          2HA       GLY  41  11.939   0.476   2.826
  349    H    GLN  42           H        GLN  42  10.621  -1.547   0.094
  350    HA   GLN  42           HA       GLN  42  13.396  -2.004  -0.876
  351   1HB   GLN  42          2HB       GLN  42  11.440  -4.181  -0.051
  352   2HB   GLN  42          3HB       GLN  42  12.883  -4.460  -1.040
  353   1HG   GLN  42          2HG       GLN  42  14.197  -3.273   0.820
  354   2HG   GLN  42          3HG       GLN  42  12.785  -3.532   1.832
  355   1HE2  GLN  42          2HE2      GLN  42  14.716  -4.661   3.006
  356   2HE2  GLN  42          1HE2      GLN  42  14.944  -6.355   2.584
  357    H    ALA  43           H        ALA  43  11.223  -0.409  -2.143
  358    HA   ALA  43           HA       ALA  43  10.729  -1.814  -4.655
  359   1HB   ALA  43          1HB       ALA  43  10.669   1.120  -3.879
  360   2HB   ALA  43          2HB       ALA  43  10.191   0.494  -5.466
  361   3HB   ALA  43          3HB       ALA  43   9.292  -0.005  -4.029
  362    H    GLU  44           H        GLU  44  11.562  -0.726  -6.746
  363    HA   GLU  44           HA       GLU  44  14.210  -1.741  -6.810
  364   1HB   GLU  44          2HB       GLU  44  12.252  -2.113  -8.385
  365   2HB   GLU  44          3HB       GLU  44  12.690  -0.603  -9.176
  366   1HG   GLU  44          2HG       GLU  44  14.844  -1.503  -9.832
  367   2HG   GLU  44          3HG       GLU  44  14.694  -2.862  -8.722
  368    H    GLY  45           H        GLY  45  15.247  -0.146  -5.492
  369   1HA   GLY  45          1HA       GLY  45  17.153   1.309  -5.516
  370   2HA   GLY  45          2HA       GLY  45  16.720   1.852  -7.134
  371    H    TYR  46           H        TYR  46  14.178   1.894  -4.770
  372    HA   TYR  46           HA       TYR  46  14.112   4.853  -5.076
  373   1HB   TYR  46          2HB       TYR  46  12.456   3.497  -6.142
  374   2HB   TYR  46          3HB       TYR  46  11.860   2.892  -4.629
  375    HD1  TYR  46           HD1      TYR  46  11.749   5.611  -7.047
  376    HD2  TYR  46           HD2      TYR  46  11.018   4.621  -2.934
  377    HE1  TYR  46           HE1      TYR  46  10.156   7.517  -6.891
  378    HE2  TYR  46           HE2      TYR  46   9.377   6.543  -2.770
  379    HH   TYR  46           HH       TYR  46   8.467   8.460  -5.608
  380    H    SER  47           H        SER  47  14.175   6.254  -3.573
  381    HA   SER  47           HA       SER  47  14.824   5.475  -0.843
  382   1HB   SER  47          2HB       SER  47  14.953   8.121  -2.307
  383   2HB   SER  47          3HB       SER  47  15.407   7.902  -0.602
  384    HG   SER  47           HG       SER  47  17.198   7.614  -2.080
  385    H    TYR  48           H        TYR  48  13.120   5.003   0.344
  386    HA   TYR  48           HA       TYR  48  10.638   6.377   0.544
  387   1HB   TYR  48          2HB       TYR  48  12.084   4.380   2.333
  388   2HB   TYR  48          3HB       TYR  48  10.400   4.858   2.541
  389    HD1  TYR  48           HD1      TYR  48   8.656   4.052   1.220
  390    HD2  TYR  48           HD2      TYR  48  12.748   3.090   0.180
  391    HE1  TYR  48           HE1      TYR  48   7.889   2.260  -0.316
  392    HE2  TYR  48           HE2      TYR  48  11.936   1.360  -1.380
  393    HH   TYR  48           HH       TYR  48   8.635   0.127  -1.085
  394    H    THR  49           H        THR  49  11.509   5.915   3.688
  395    HA   THR  49           HA       THR  49  12.596   8.589   4.348
  396    HB   THR  49           HB       THR  49  11.032   8.587   6.361
  397    HG1  THR  49           1HG      THR  49   9.377   6.959   4.751
  398   1HG2  THR  49          1HG2      THR  49   9.754   8.986   3.633
  399   2HG2  THR  49          2HG2      THR  49   9.155   9.621   5.176
  400   3HG2  THR  49          3HG2      THR  49  10.717  10.165   4.541
  401    H    ASP  50           H        ASP  50  13.571   8.623   6.470
  402    HA   ASP  50           HA       ASP  50  15.117   6.420   7.282
  403   1HB   ASP  50          2HB       ASP  50  15.537   8.743   7.917
  404   2HB   ASP  50          3HB       ASP  50  14.029   8.808   8.838
  405    H    ALA  51           H        ALA  51  12.035   7.542   8.686
  406    HA   ALA  51           HA       ALA  51  11.661   5.504  10.558
  407   1HB   ALA  51          1HB       ALA  51   9.625   7.225   9.087
  408   2HB   ALA  51          2HB       ALA  51   9.323   6.315  10.588
  409   3HB   ALA  51          3HB       ALA  51  10.487   7.647  10.579
  410    H    ASN  52           H        ASN  52  10.389   5.546   7.137
  411    HA   ASN  52           HA       ASN  52   8.935   3.087   7.405
  412   1HB   ASN  52          2HB       ASN  52   8.616   4.752   5.549
  413   2HB   ASN  52          3HB       ASN  52  10.178   4.264   4.885
  414   1HD2  ASN  52          2HD2      ASN  52   9.869   2.771   3.134
  415   2HD2  ASN  52          1HD2      ASN  52   8.585   1.560   3.206
  416    H    ILE  53           H        ILE  53  12.331   3.699   6.768
  417    HA   ILE  53           HA       ILE  53  12.943   0.944   6.027
  418    HB   ILE  53           HB       ILE  53  14.572   3.383   6.720
  419   1HG1  ILE  53          2HG1      ILE  53  14.291   1.918   4.045
  420   2HG1  ILE  53          3HG1      ILE  53  13.274   3.273   4.508
  421   1HG2  ILE  53          1HG2      ILE  53  15.624   0.664   5.796
  422   2HG2  ILE  53          2HG2      ILE  53  16.606   2.142   5.895
  423   3HG2  ILE  53          3HG2      ILE  53  15.950   1.437   7.361
  424   1HD1  ILE  53          1HD1      ILE  53  16.272   3.385   4.050
  425   2HD1  ILE  53          2HD1      ILE  53  14.985   4.124   3.086
  426   3HD1  ILE  53          3HD1      ILE  53  15.307   4.719   4.727
  427    H    LYS  54           H        LYS  54  13.694   2.914   8.956
  428    HA   LYS  54           HA       LYS  54  14.565   0.694  10.560
  429   1HB   LYS  54          2HB       LYS  54  13.257   3.332  11.340
  430   2HB   LYS  54          3HB       LYS  54  14.019   2.206  12.479
  431   1HG   LYS  54          2HG       LYS  54  16.176   2.409  11.254
  432   2HG   LYS  54          3HG       LYS  54  15.430   3.569  10.147
  433   1HD   LYS  54          2HD       LYS  54  14.874   5.031  12.092
  434   2HD   LYS  54          3HD       LYS  54  15.813   3.948  13.149
  435   1HE   LYS  54          2HE       LYS  54  17.874   4.470  12.025
  436   2HE   LYS  54          3HE       LYS  54  17.000   5.049  10.593
  437   1HZ   LYS  54          1HZ       LYS  54  17.238   6.548  13.127
  438   2HZ   LYS  54          2HZ       LYS  54  17.595   6.984  11.525
  439   3HZ   LYS  54          3HZ       LYS  54  16.101   6.828  11.932
  440    H    LYS  55           H        LYS  55  11.518   1.300   9.385
  441    HA   LYS  55           HA       LYS  55   9.953  -0.106  11.494
  442   1HB   LYS  55          2HB       LYS  55   9.020   1.724  10.036
  443   2HB   LYS  55          3HB       LYS  55   9.224   0.665   8.649
  444   1HG   LYS  55          2HG       LYS  55   7.588  -0.936   9.935
  445   2HG   LYS  55          3HG       LYS  55   7.246   0.510  10.906
  446   1HD   LYS  55          2HD       LYS  55   7.047   1.655   8.491
  447   2HD   LYS  55          3HD       LYS  55   6.764   0.022   7.938
  448   1HE   LYS  55          2HE       LYS  55   5.207   1.465  10.123
  449   2HE   LYS  55          3HE       LYS  55   4.677   1.313   8.441
  450   1HZ   LYS  55          1HZ       LYS  55   5.214  -0.989  10.216
  451   2HZ   LYS  55          2HZ       LYS  55   3.724  -0.386   9.997
  452   3HZ   LYS  55          3HZ       LYS  55   4.536  -1.053   8.711
  453    H    ASN  56           H        ASN  56  11.373  -0.860   8.373
  454    HA   ASN  56           HA       ASN  56  10.894  -2.652   6.909
  455   1HB   ASN  56          2HB       ASN  56  13.037  -2.974   8.870
  456   2HB   ASN  56          3HB       ASN  56  12.490  -4.525   8.303
  457   1HD2  ASN  56          2HD2      ASN  56  12.389  -1.690   5.968
  458   2HD2  ASN  56          1HD2      ASN  56  13.787  -2.348   5.156
  459    H    VAL  57           H        VAL  57   8.579  -2.496   7.795
  460    HA   VAL  57           HA       VAL  57   7.667  -4.865   9.214
  461    HB   VAL  57           HB       VAL  57   6.506  -2.398   8.508
  462   1HG1  VAL  57          1HG1      VAL  57   4.775  -4.590   7.330
  463   2HG1  VAL  57          2HG1      VAL  57   4.251  -2.952   7.716
  464   3HG1  VAL  57          3HG1      VAL  57   5.489  -3.210   6.486
  465   1HG2  VAL  57          1HG2      VAL  57   6.316  -3.397  10.654
  466   2HG2  VAL  57          2HG2      VAL  57   4.662  -3.237  10.015
  467   3HG2  VAL  57          3HG2      VAL  57   5.466  -4.807  10.014
  468    H    LEU  58           H        LEU  58   7.402  -6.830   8.467
  469    HA   LEU  58           HA       LEU  58   7.766  -7.494   5.672
  470   1HB   LEU  58          2HB       LEU  58   8.496  -8.859   7.661
  471   2HB   LEU  58          3HB       LEU  58   6.821  -9.341   7.896
  472    HG   LEU  58           HG       LEU  58   8.406  -9.796   5.316
  473   1HD1  LEU  58          1HD1      LEU  58   7.841 -11.732   7.595
  474   2HD1  LEU  58          2HD1      LEU  58   8.691 -12.109   6.077
  475   3HD1  LEU  58          3HD1      LEU  58   9.414 -10.985   7.236
  476   1HD2  LEU  58          1HD2      LEU  58   6.037  -9.984   4.824
  477   2HD2  LEU  58          2HD2      LEU  58   6.683 -11.613   4.945
  478   3HD2  LEU  58          3HD2      LEU  58   5.751 -10.937   6.297
  479    H    TRP  59           H        TRP  59   6.208  -6.747   4.361
  480    HA   TRP  59           HA       TRP  59   3.512  -6.313   4.871
  481   1HB   TRP  59          2HB       TRP  59   4.964  -6.840   2.301
  482   2HB   TRP  59          3HB       TRP  59   3.312  -6.233   2.360
  483    HD1  TRP  59           HD1      TRP  59   6.490  -4.882   1.638
  484    HE1  TRP  59           HE1      TRP  59   6.681  -2.363   2.195
  485    HE3  TRP  59           HE3      TRP  59   2.437  -4.402   4.731
  486    HZ2  TRP  59           HZ2      TRP  59   5.535  -0.563   4.048
  487    HZ3  TRP  59           HZ3      TRP  59   2.028  -2.318   5.923
  488    HH2  TRP  59           HH2      TRP  59   3.609  -0.346   5.628
  489    H    ASP  60           H        ASP  60   2.310  -7.787   5.718
  490    HA   ASP  60           HA       ASP  60   1.465 -10.217   4.205
  491   1HB   ASP  60          2HB       ASP  60   2.212 -10.942   6.316
  492   2HB   ASP  60          3HB       ASP  60   1.646  -9.480   7.127
  493    H    GLU  61           H        GLU  61  -1.046 -10.552   4.774
  494    HA   GLU  61           HA       GLU  61  -2.419  -8.298   3.518
  495   1HB   GLU  61          2HB       GLU  61  -4.464  -9.581   3.718
  496   2HB   GLU  61          3HB       GLU  61  -3.166 -10.432   2.896
  497   1HG   GLU  61          2HG       GLU  61  -2.810 -11.860   4.875
  498   2HG   GLU  61          3HG       GLU  61  -4.070 -10.981   5.750
  499    H    ASN  62           H        ASN  62  -2.424  -9.609   6.854
  500    HA   ASN  62           HA       ASN  62  -4.278  -7.540   7.798
  501   1HB   ASN  62          2HB       ASN  62  -4.059  -9.777   8.901
  502   2HB   ASN  62          3HB       ASN  62  -2.439  -9.334   9.448
  503   1HD2  ASN  62          2HD2      ASN  62  -2.288  -7.457  11.023
  504   2HD2  ASN  62          1HD2      ASN  62  -3.757  -6.838  11.751
  505    H    ASN  63           H        ASN  63  -0.774  -8.076   8.020
  506    HA   ASN  63           HA       ASN  63  -0.087  -5.756   9.547
  507   1HB   ASN  63          2HB       ASN  63   1.352  -7.761   9.060
  508   2HB   ASN  63          3HB       ASN  63   1.579  -7.152   7.415
  509   1HD2  ASN  63          2HD2      ASN  63   3.927  -7.467   8.294
  510   2HD2  ASN  63          1HD2      ASN  63   4.539  -5.998   9.072
  511    H    MET  64           H        MET  64  -0.430  -6.063   5.994
  512    HA   MET  64           HA       MET  64   0.172  -3.301   5.374
  513   1HB   MET  64          2HB       MET  64   0.112  -4.828   3.555
  514   2HB   MET  64          3HB       MET  64  -1.493  -5.408   4.008
  515   1HG   MET  64          2HG       MET  64  -2.520  -3.293   3.459
  516   2HG   MET  64          3HG       MET  64  -0.945  -2.543   3.171
  517   1HE   MET  64          1HE       MET  64   0.482  -4.865   1.107
  518   2HE   MET  64          2HE       MET  64   0.162  -3.652  -0.160
  519   3HE   MET  64          3HE       MET  64   0.603  -3.134   1.477
  520    H    SER  65           H        SER  65  -2.967  -4.948   6.164
  521    HA   SER  65           HA       SER  65  -4.595  -2.687   5.802
  522   1HB   SER  65          2HB       SER  65  -5.252  -5.153   6.213
  523   2HB   SER  65          3HB       SER  65  -5.104  -4.780   7.943
  524    HG   SER  65           HG       SER  65  -7.116  -4.195   7.613
  525    H    GLU  66           H        GLU  66  -3.046  -3.776   8.839
  526    HA   GLU  66           HA       GLU  66  -3.963  -1.775  10.585
  527   1HB   GLU  66          2HB       GLU  66  -2.042  -3.926  10.611
  528   2HB   GLU  66          3HB       GLU  66  -1.193  -2.502  11.173
  529   1HG   GLU  66          2HG       GLU  66  -2.105  -3.618  13.080
  530   2HG   GLU  66          3HG       GLU  66  -2.981  -2.099  12.861
  531    H    TYR  67           H        TYR  67  -0.910  -1.806   8.747
  532    HA   TYR  67           HA       TYR  67  -0.031   0.862   9.280
  533   1HB   TYR  67          2HB       TYR  67   1.537  -0.613   8.301
  534   2HB   TYR  67          3HB       TYR  67   0.411  -1.123   7.055
  535    HD1  TYR  67           HD1      TYR  67   0.640  -0.280   4.886
  536    HD2  TYR  67           HD2      TYR  67   2.006   2.039   8.237
  537    HE1  TYR  67           HE1      TYR  67   1.535   1.430   3.330
  538    HE2  TYR  67           HE2      TYR  67   2.918   3.776   6.653
  539    HH   TYR  67           HH       TYR  67   2.977   3.191   3.202
  540    H    LEU  68           H        LEU  68  -2.085  -0.315   6.570
  541    HA   LEU  68           HA       LEU  68  -2.309   2.308   5.378
  542   1HB   LEU  68          2HB       LEU  68  -4.093  -0.156   5.180
  543   2HB   LEU  68          3HB       LEU  68  -4.260   1.311   4.219
  544    HG   LEU  68           HG       LEU  68  -1.857  -0.506   4.047
  545   1HD1  LEU  68          1HD1      LEU  68  -4.232  -0.068   2.179
  546   2HD1  LEU  68          2HD1      LEU  68  -2.833  -1.105   1.863
  547   3HD1  LEU  68          3HD1      LEU  68  -3.953  -1.516   3.170
  548   1HD2  LEU  68          1HD2      LEU  68  -1.307   1.821   3.463
  549   2HD2  LEU  68          2HD2      LEU  68  -1.334   0.774   2.054
  550   3HD2  LEU  68          3HD2      LEU  68  -2.698   1.882   2.351
  551    H    THR  69           H        THR  69  -4.046   0.809   8.002
  552    HA   THR  69           HA       THR  69  -6.293   2.637   8.052
  553    HB   THR  69           HB       THR  69  -5.328   0.679  10.076
  554    HG1  THR  69           1HG      THR  69  -5.978  -0.436   8.395
  555   1HG2  THR  69          1HG2      THR  69  -8.013   2.103   9.818
  556   2HG2  THR  69          2HG2      THR  69  -7.673   0.733  10.896
  557   3HG2  THR  69          3HG2      THR  69  -6.862   2.280  11.171
  558    H    ASN  70           H        ASN  70  -3.124   2.648   9.712
  559    HA   ASN  70           HA       ASN  70  -3.577   5.535   9.974
  560   1HB   ASN  70          2HB       ASN  70  -4.348   4.427  12.151
  561   2HB   ASN  70          3HB       ASN  70  -2.644   4.167  12.502
  562   1HD2  ASN  70          2HD2      ASN  70  -4.880   6.046  13.539
  563   2HD2  ASN  70          1HD2      ASN  70  -4.097   7.641  13.474
  564    HA   PRO  71           HA       PRO  71   0.611   4.281   8.513
  565   1HB   PRO  71          2HB       PRO  71   0.851   6.109   6.455
  566   2HB   PRO  71          3HB       PRO  71   0.044   4.522   6.309
  567   1HG   PRO  71          2HG       PRO  71  -1.246   7.213   6.813
  568   2HG   PRO  71          3HG       PRO  71  -1.733   5.951   5.637
  569   1HD   PRO  71          2HD       PRO  71  -2.960   6.181   8.045
  570   2HD   PRO  71          3HD       PRO  71  -2.622   4.577   7.342
  571    H    LYS  72           H        LYS  72  -0.727   7.446   9.275
  572    HA   LYS  72           HA       LYS  72   1.790   8.811   9.810
  573   1HB   LYS  72          2HB       LYS  72  -1.158   9.394  10.247
  574   2HB   LYS  72          3HB       LYS  72   0.000  10.252  11.244
  575   1HG   LYS  72          2HG       LYS  72  -0.337  11.679   9.454
  576   2HG   LYS  72          3HG       LYS  72   1.244  10.953   9.174
  577   1HD   LYS  72          2HD       LYS  72   0.127   9.374   7.500
  578   2HD   LYS  72          3HD       LYS  72  -1.391  10.242   7.798
  579   1HE   LYS  72          2HE       LYS  72  -0.538  11.334   5.899
  580   2HE   LYS  72          3HE       LYS  72  -0.070  12.401   7.233
  581   1HZ   LYS  72          1HZ       LYS  72   1.605  10.515   5.707
  582   2HZ   LYS  72          2HZ       LYS  72   1.893  12.098   5.926
  583   3HZ   LYS  72          3HZ       LYS  72   2.130  11.064   7.157
  584    H    LYS  73           H        LYS  73   0.032   6.507  11.720
  585    HA   LYS  73           HA       LYS  73   1.692   7.254  14.101
  586   1HB   LYS  73          2HB       LYS  73  -0.933   6.077  13.860
  587   2HB   LYS  73          3HB       LYS  73   0.122   4.865  14.552
  588   1HG   LYS  73          2HG       LYS  73  -0.864   6.116  16.339
  589   2HG   LYS  73          3HG       LYS  73   0.860   6.511  16.282
  590   1HD   LYS  73          2HD       LYS  73   0.322   8.645  15.102
  591   2HD   LYS  73          3HD       LYS  73  -1.402   8.219  15.132
  592   1HE   LYS  73          2HE       LYS  73  -1.381   8.201  17.592
  593   2HE   LYS  73          3HE       LYS  73   0.364   8.499  17.610
  594   1HZ   LYS  73          1HZ       LYS  73  -1.624  10.376  16.464
  595   2HZ   LYS  73          2HZ       LYS  73  -0.964  10.531  17.964
  596   3HZ   LYS  73          3HZ       LYS  73  -0.013  10.654  16.632
  597    H    TYR  74           H        TYR  74   1.184   4.426  11.959
  598    HA   TYR  74           HA       TYR  74   3.341   2.983  13.198
  599   1HB   TYR  74          2HB       TYR  74   1.336   2.326  11.498
  600   2HB   TYR  74          3HB       TYR  74   2.645   2.402  10.353
  601    HD1  TYR  74           HD1      TYR  74   4.688   1.307  12.825
  602    HD2  TYR  74           HD2      TYR  74   1.060  -0.061  10.880
  603    HE1  TYR  74           HE1      TYR  74   5.256  -0.997  13.386
  604    HE2  TYR  74           HE2      TYR  74   1.693  -2.407  11.424
  605    HH   TYR  74           HH       TYR  74   4.132  -3.182  13.714
  606    H    ILE  75           H        ILE  75   3.319   5.429  10.769
  607    HA   ILE  75           HA       ILE  75   6.293   5.454  10.855
  608    HB   ILE  75           HB       ILE  75   4.785   6.182   8.354
  609   1HG1  ILE  75          2HG1      ILE  75   6.245   3.608   8.947
  610   2HG1  ILE  75          3HG1      ILE  75   4.504   3.784   8.671
  611   1HG2  ILE  75          1HG2      ILE  75   7.747   5.607   8.930
  612   2HG2  ILE  75          2HG2      ILE  75   7.110   6.243   7.413
  613   3HG2  ILE  75          3HG2      ILE  75   7.066   7.250   8.849
  614   1HD1  ILE  75          1HD1      ILE  75   6.692   4.192   6.629
  615   2HD1  ILE  75          2HD1      ILE  75   5.432   2.954   6.643
  616   3HD1  ILE  75          3HD1      ILE  75   5.007   4.659   6.358
  617    HA   PRO  76           HA       PRO  76   4.621   9.518  12.306
  618   1HB   PRO  76          2HB       PRO  76   6.716  10.146  13.970
  619   2HB   PRO  76          3HB       PRO  76   5.324   9.130  14.454
  620   1HG   PRO  76          2HG       PRO  76   8.058   8.226  13.515
  621   2HG   PRO  76          3HG       PRO  76   7.111   7.630  14.915
  622   1HD   PRO  76          2HD       PRO  76   7.158   6.331  12.528
  623   2HD   PRO  76          3HD       PRO  76   5.675   6.380  13.524
  624    H    GLY  77           H        GLY  77   4.836  10.909  10.690
  625   1HA   GLY  77          1HA       GLY  77   6.026  12.706   9.602
  626   2HA   GLY  77          2HA       GLY  77   7.527  11.820   9.771
  627    H    THR  78           H        THR  78   5.420   9.491   8.564
  628    HA   THR  78           HA       THR  78   6.693   9.251   6.160
  629    HB   THR  78           HB       THR  78   5.349   7.479   6.889
  630    HG1  THR  78           1HG      THR  78   5.636   7.694   4.672
  631   1HG2  THR  78          1HG2      THR  78   2.792   8.923   6.147
  632   2HG2  THR  78          2HG2      THR  78   2.969   7.337   6.901
  633   3HG2  THR  78          3HG2      THR  78   3.364   8.789   7.834
  634    H    LYS  79           H        LYS  79   6.595   9.793   4.130
  635    HA   LYS  79           HA       LYS  79   5.354  12.247   3.140
  636   1HB   LYS  79          2HB       LYS  79   6.449   9.911   1.568
  637   2HB   LYS  79          3HB       LYS  79   6.136  11.502   0.928
  638   1HG   LYS  79          2HG       LYS  79   8.060  12.424   1.990
  639   2HG   LYS  79          3HG       LYS  79   8.271  11.004   3.039
  640   1HD   LYS  79          2HD       LYS  79   8.786   9.569   1.173
  641   2HD   LYS  79          3HD       LYS  79   8.342  10.815  -0.006
  642   1HE   LYS  79          2HE       LYS  79  10.280  12.147   0.583
  643   2HE   LYS  79          3HE       LYS  79  10.683  11.047   1.916
  644   1HZ   LYS  79          1HZ       LYS  79  10.589  10.086  -0.897
  645   2HZ   LYS  79          2HZ       LYS  79  11.973  10.625  -0.186
  646   3HZ   LYS  79          3HZ       LYS  79  11.226   9.336   0.415
  647    H    MET  80           H        MET  80   4.027   9.028   3.509
  648    HA   MET  80           HA       MET  80   2.090   9.147   1.392
  649   1HB   MET  80          2HB       MET  80   2.767   7.040   2.384
  650   2HB   MET  80          3HB       MET  80   2.136   7.517   3.961
  651   1HG   MET  80          2HG       MET  80  -0.053   7.339   3.324
  652   2HG   MET  80          3HG       MET  80   0.265   7.690   1.631
  653   1HE   MET  80          1HE       MET  80  -1.841   5.773   1.608
  654   2HE   MET  80          2HE       MET  80  -1.560   4.088   2.103
  655   3HE   MET  80          3HE       MET  80  -1.570   5.379   3.324
  656    H    ALA  81           H        ALA  81   1.358  11.290   1.523
  657    HA   ALA  81           HA       ALA  81   0.104  12.412   3.790
  658   1HB   ALA  81          1HB       ALA  81  -0.140  13.204   0.859
  659   2HB   ALA  81          2HB       ALA  81  -0.463  14.256   2.249
  660   3HB   ALA  81          3HB       ALA  81   1.189  13.688   1.937
  661    H    PHE  82           H        PHE  82  -1.082  10.109   2.085
  662    HA   PHE  82           HA       PHE  82  -3.745  10.476   1.311
  663   1HB   PHE  82          2HB       PHE  82  -2.377   8.522   0.791
  664   2HB   PHE  82          3HB       PHE  82  -2.339   8.048   2.481
  665    HD1  PHE  82           HD1      PHE  82  -3.899   6.487   3.301
  666    HD2  PHE  82           HD2      PHE  82  -4.780   8.645  -0.329
  667    HE1  PHE  82           HE1      PHE  82  -5.875   5.048   2.916
  668    HE2  PHE  82           HE2      PHE  82  -6.709   7.184  -0.743
  669    HZ   PHE  82           HZ       PHE  82  -7.269   5.369   0.861
  670    H    GLY  83           H        GLY  83  -2.674  10.229   4.613
  671   1HA   GLY  83          1HA       GLY  83  -3.896  10.545   6.600
  672   2HA   GLY  83          2HA       GLY  83  -5.386  10.667   5.655
  673    H    GLY  84           H        GLY  84  -6.474   8.735   5.059
  674   1HA   GLY  84          1HA       GLY  84  -5.882   6.111   5.177
  675   2HA   GLY  84          2HA       GLY  84  -6.072   6.431   6.896
  676    H    LEU  85           H        LEU  85  -7.605   4.657   5.059
  677    HA   LEU  85           HA       LEU  85 -10.349   5.772   5.172
  678   1HB   LEU  85          2HB       LEU  85  -9.184   3.320   3.801
  679   2HB   LEU  85          3HB       LEU  85 -10.884   3.725   3.815
  680    HG   LEU  85           HG       LEU  85  -8.747   5.538   2.631
  681   1HD1  LEU  85          1HD1      LEU  85 -10.611   3.554   1.255
  682   2HD1  LEU  85          2HD1      LEU  85  -9.509   4.691   0.439
  683   3HD1  LEU  85          3HD1      LEU  85  -8.851   3.379   1.428
  684   1HD2  LEU  85          1HD2      LEU  85 -10.829   6.730   3.198
  685   2HD2  LEU  85          2HD2      LEU  85 -10.653   6.582   1.451
  686   3HD2  LEU  85          3HD2      LEU  85 -11.783   5.509   2.320
  687    H    LYS  86           H        LYS  86 -11.251   5.487   7.077
  688    HA   LYS  86           HA       LYS  86 -10.739   3.306   8.920
  689   1HB   LYS  86          2HB       LYS  86 -12.941   5.416   8.865
  690   2HB   LYS  86          3HB       LYS  86 -12.588   4.348  10.227
  691   1HG   LYS  86          2HG       LYS  86 -10.303   5.314  10.409
  692   2HG   LYS  86          3HG       LYS  86 -10.675   6.435   9.082
  693   1HD   LYS  86          2HD       LYS  86 -12.548   7.381  10.389
  694   2HD   LYS  86          3HD       LYS  86 -12.201   6.251  11.716
  695   1HE   LYS  86          2HE       LYS  86  -9.935   7.235  11.959
  696   2HE   LYS  86          3HE       LYS  86 -10.281   8.373  10.648
  697   1HZ   LYS  86          1HZ       LYS  86 -11.777   8.229  13.210
  698   2HZ   LYS  86          2HZ       LYS  86 -10.660   9.372  12.832
  699   3HZ   LYS  86          3HZ       LYS  86 -12.070   9.299  12.000
  700    H    LYS  87           H        LYS  87 -12.668   3.107   6.181
  701    HA   LYS  87           HA       LYS  87 -14.797   1.387   7.359
  702   1HB   LYS  87          2HB       LYS  87 -14.214   2.439   4.575
  703   2HB   LYS  87          3HB       LYS  87 -15.181   0.977   4.782
  704   1HG   LYS  87          2HG       LYS  87 -16.728   2.266   6.299
  705   2HG   LYS  87          3HG       LYS  87 -15.844   3.745   5.849
  706   1HD   LYS  87          2HD       LYS  87 -16.388   3.325   3.453
  707   2HD   LYS  87          3HD       LYS  87 -17.160   1.805   3.884
  708   1HE   LYS  87          2HE       LYS  87 -18.894   3.328   3.480
  709   2HE   LYS  87          3HE       LYS  87 -18.860   3.058   5.229
  710   1HZ   LYS  87          1HZ       LYS  87 -17.639   5.375   3.837
  711   2HZ   LYS  87          2HZ       LYS  87 -19.084   5.425   4.627
  712   3HZ   LYS  87          3HZ       LYS  87 -17.692   5.167   5.465
  713    H    GLU  88           H        GLU  88 -13.956  -0.473   8.130
  714    HA   GLU  88           HA       GLU  88 -11.895  -2.086   7.208
  715   1HB   GLU  88          2HB       GLU  88 -13.464  -2.428   9.202
  716   2HB   GLU  88          3HB       GLU  88 -14.601  -3.155   8.065
  717   1HG   GLU  88          2HG       GLU  88 -12.665  -4.760   7.414
  718   2HG   GLU  88          3HG       GLU  88 -11.798  -4.106   8.798
  719    H    LYS  89           H        LYS  89 -15.173  -1.946   5.824
  720    HA   LYS  89           HA       LYS  89 -14.839  -4.178   4.056
  721   1HB   LYS  89          2HB       LYS  89 -16.911  -1.974   3.901
  722   2HB   LYS  89          3HB       LYS  89 -17.001  -3.620   3.265
  723   1HG   LYS  89          2HG       LYS  89 -16.347  -4.034   5.931
  724   2HG   LYS  89          3HG       LYS  89 -17.406  -2.636   6.044
  725   1HD   LYS  89          2HD       LYS  89 -19.235  -3.890   5.038
  726   2HD   LYS  89          3HD       LYS  89 -18.141  -5.243   4.635
  727   1HE   LYS  89          2HE       LYS  89 -17.642  -5.611   7.018
  728   2HE   LYS  89          3HE       LYS  89 -18.645  -4.238   7.477
  729   1HZ   LYS  89          1HZ       LYS  89 -19.647  -6.673   6.121
  730   2HZ   LYS  89          2HZ       LYS  89 -19.791  -6.366   7.726
  731   3HZ   LYS  89          3HZ       LYS  89 -20.576  -5.413   6.629
  732    H    ASP  90           H        ASP  90 -14.385  -0.745   3.601
  733    HA   ASP  90           HA       ASP  90 -13.770  -0.723   0.785
  734   1HB   ASP  90          2HB       ASP  90 -12.974   1.082   3.123
  735   2HB   ASP  90          3HB       ASP  90 -12.491   1.328   1.486
  736    H    ARG  91           H        ARG  91 -11.869  -1.088   3.803
  737    HA   ARG  91           HA       ARG  91  -9.273  -1.412   2.617
  738   1HB   ARG  91          2HB       ARG  91 -10.266  -2.677   5.212
  739   2HB   ARG  91          3HB       ARG  91  -8.606  -2.494   4.742
  740   1HG   ARG  91          2HG       ARG  91 -10.109   0.093   4.892
  741   2HG   ARG  91          3HG       ARG  91 -10.035  -0.823   6.394
  742   1HD   ARG  91          2HD       ARG  91  -8.193   0.600   6.457
  743   2HD   ARG  91          3HD       ARG  91  -7.542  -0.998   6.137
  744    HE   ARG  91           HE       ARG  91  -7.353  -0.349   3.735
  745   1HH1  ARG  91          1HH2      ARG  91  -7.688   2.283   5.927
  746   2HH1  ARG  91          2HH2      ARG  91  -6.154   2.922   5.410
  747   1HH2  ARG  91          1HH1      ARG  91  -6.305   1.111   2.449
  748   2HH2  ARG  91          2HH1      ARG  91  -6.080   2.756   2.997
  749    H    ASN  92           H        ASN  92 -11.604  -3.915   3.632
  750    HA   ASN  92           HA       ASN  92 -10.034  -6.127   2.698
  751   1HB   ASN  92          2HB       ASN  92 -12.995  -5.853   3.319
  752   2HB   ASN  92          3HB       ASN  92 -12.264  -7.365   2.800
  753   1HD2  ASN  92          2HD2      ASN  92 -13.495  -6.767   5.475
  754   2HD2  ASN  92          1HD2      ASN  92 -12.158  -7.034   6.590
  755    H    ASP  93           H        ASP  93 -12.627  -4.293   0.941
  756    HA   ASP  93           HA       ASP  93 -12.373  -5.753  -1.519
  757   1HB   ASP  93          2HB       ASP  93 -13.341  -3.027  -0.723
  758   2HB   ASP  93          3HB       ASP  93 -12.836  -3.202  -2.388
  759    H    LEU  94           H        LEU  94 -10.602  -2.816  -0.478
  760    HA   LEU  94           HA       LEU  94  -8.980  -2.558  -2.776
  761   1HB   LEU  94          2HB       LEU  94  -9.360  -0.926  -0.817
  762   2HB   LEU  94          3HB       LEU  94  -8.108  -1.796   0.043
  763    HG   LEU  94           HG       LEU  94  -7.323   0.279  -0.970
  764   1HD1  LEU  94          1HD1      LEU  94  -6.024  -1.973  -2.534
  765   2HD1  LEU  94          2HD1      LEU  94  -5.345  -0.412  -2.112
  766   3HD1  LEU  94          3HD1      LEU  94  -5.666  -1.597  -0.829
  767   1HD2  LEU  94          1HD2      LEU  94  -8.905   0.237  -2.922
  768   2HD2  LEU  94          2HD2      LEU  94  -7.240   0.700  -3.313
  769   3HD2  LEU  94          3HD2      LEU  94  -7.836  -0.931  -3.703
  770    H    ILE  95           H        ILE  95  -8.190  -4.232   0.300
  771    HA   ILE  95           HA       ILE  95  -5.699  -5.366  -0.483
  772    HB   ILE  95           HB       ILE  95  -7.830  -6.377   1.430
  773   1HG1  ILE  95          2HG1      ILE  95  -5.103  -5.182   2.101
  774   2HG1  ILE  95          3HG1      ILE  95  -6.505  -4.155   1.859
  775   1HG2  ILE  95          1HG2      ILE  95  -4.974  -7.406   1.011
  776   2HG2  ILE  95          2HG2      ILE  95  -6.029  -7.864   2.360
  777   3HG2  ILE  95          3HG2      ILE  95  -6.474  -8.318   0.730
  778   1HD1  ILE  95          1HD1      ILE  95  -6.223  -6.292   4.001
  779   2HD1  ILE  95          2HD1      ILE  95  -6.286  -4.533   4.203
  780   3HD1  ILE  95          3HD1      ILE  95  -7.727  -5.406   3.660
  781    H    THR  96           H        THR  96  -9.033  -6.679  -0.890
  782    HA   THR  96           HA       THR  96  -8.305  -9.100  -2.162
  783    HB   THR  96           HB       THR  96 -10.790  -7.466  -2.813
  784    HG1  THR  96           1HG      THR  96 -10.632  -7.923  -0.617
  785   1HG2  THR  96          1HG2      THR  96 -10.179 -10.441  -3.071
  786   2HG2  THR  96          2HG2      THR  96 -11.770  -9.696  -3.295
  787   3HG2  THR  96          3HG2      THR  96 -10.461  -9.305  -4.413
  788    H    TYR  97           H        TYR  97  -8.681  -5.881  -3.686
  789    HA   TYR  97           HA       TYR  97  -7.943  -6.841  -6.352
  790   1HB   TYR  97          2HB       TYR  97  -9.137  -4.820  -6.214
  791   2HB   TYR  97          3HB       TYR  97  -7.983  -4.077  -5.107
  792    HD1  TYR  97           HD1      TYR  97  -6.112  -2.829  -5.970
  793    HD2  TYR  97           HD2      TYR  97  -8.378  -5.414  -8.582
  794    HE1  TYR  97           HE1      TYR  97  -4.943  -1.874  -7.937
  795    HE2  TYR  97           HE2      TYR  97  -7.215  -4.414 -10.559
  796    HH   TYR  97           HH       TYR  97  -4.583  -2.101 -10.253
  797    H    LEU  98           H        LEU  98  -6.044  -5.064  -3.851
  798    HA   LEU  98           HA       LEU  98  -3.691  -5.001  -5.422
  799   1HB   LEU  98          2HB       LEU  98  -4.462  -3.914  -2.990
  800   2HB   LEU  98          3HB       LEU  98  -3.340  -5.120  -2.439
  801    HG   LEU  98           HG       LEU  98  -1.677  -4.147  -4.231
  802   1HD1  LEU  98          1HD1      LEU  98  -3.570  -1.773  -3.859
  803   2HD1  LEU  98          2HD1      LEU  98  -2.005  -1.752  -4.707
  804   3HD1  LEU  98          3HD1      LEU  98  -3.355  -2.681  -5.369
  805   1HD2  LEU  98          1HD2      LEU  98  -1.349  -3.945  -1.826
  806   2HD2  LEU  98          2HD2      LEU  98  -0.910  -2.430  -2.626
  807   3HD2  LEU  98          3HD2      LEU  98  -2.457  -2.555  -1.749
  808    H    LYS  99           H        LYS  99  -4.652  -7.276  -3.028
  809    HA   LYS  99           HA       LYS  99  -2.475  -9.162  -3.129
  810   1HB   LYS  99          2HB       LYS  99  -4.526  -9.112  -1.577
  811   2HB   LYS  99          3HB       LYS  99  -5.408  -9.931  -2.878
  812   1HG   LYS  99          2HG       LYS  99  -3.644 -11.739  -2.760
  813   2HG   LYS  99          3HG       LYS  99  -2.904 -10.872  -1.398
  814   1HD   LYS  99          2HD       LYS  99  -5.469 -11.055  -0.497
  815   2HD   LYS  99          3HD       LYS  99  -5.446 -12.474  -1.543
  816   1HE   LYS  99          2HE       LYS  99  -3.648 -11.879   0.853
  817   2HE   LYS  99          3HE       LYS  99  -4.950 -13.037   0.782
  818   1HZ   LYS  99          1HZ       LYS  99  -2.358 -13.238  -0.651
  819   2HZ   LYS  99          2HZ       LYS  99  -2.946 -14.228   0.512
  820   3HZ   LYS  99          3HZ       LYS  99  -3.548 -14.187  -1.037
  821    H    LYS 100           H        LYS 100  -5.421  -8.991  -5.245
  822    HA   LYS 100           HA       LYS 100  -4.411 -11.142  -6.937
  823   1HB   LYS 100          2HB       LYS 100  -6.902 -10.005  -6.463
  824   2HB   LYS 100          3HB       LYS 100  -6.588  -9.517  -8.100
  825   1HG   LYS 100          2HG       LYS 100  -6.271 -12.428  -7.188
  826   2HG   LYS 100          3HG       LYS 100  -7.844 -11.733  -7.468
  827   1HD   LYS 100          2HD       LYS 100  -7.498 -12.820  -9.428
  828   2HD   LYS 100          3HD       LYS 100  -7.122 -11.157  -9.839
  829   1HE   LYS 100          2HE       LYS 100  -5.603 -12.757 -10.925
  830   2HE   LYS 100          3HE       LYS 100  -4.725 -11.677  -9.862
  831   1HZ   LYS 100          1HZ       LYS 100  -5.366 -14.506  -9.209
  832   2HZ   LYS 100          2HZ       LYS 100  -3.873 -13.812  -9.434
  833   3HZ   LYS 100          3HZ       LYS 100  -4.649 -13.420  -8.184
  834    H    ALA 101           H        ALA 101  -3.649  -7.891  -6.845
  835    HA   ALA 101           HA       ALA 101  -2.651  -7.804  -9.636
  836   1HB   ALA 101          1HB       ALA 101  -2.398  -5.805  -7.366
  837   2HB   ALA 101          2HB       ALA 101  -2.016  -5.537  -9.088
  838   3HB   ALA 101          3HB       ALA 101  -3.693  -5.811  -8.587
  839    H    THR 102           H        THR 102  -1.569  -9.152  -6.746
  840    HA   THR 102           HA       THR 102   1.286  -9.183  -7.646
  841    HB   THR 102           HB       THR 102   0.142  -9.237  -4.838
  842    HG1  THR 102           1HG      THR 102   0.531  -7.230  -5.682
  843   1HG2  THR 102          1HG2      THR 102   2.949  -9.890  -5.790
  844   2HG2  THR 102          2HG2      THR 102   2.563  -9.393  -4.120
  845   3HG2  THR 102          3HG2      THR 102   1.889 -10.888  -4.779
  846    H    GLU 103           H        GLU 103  -1.476 -11.114  -6.412
  847    HA   GLU 103           HA       GLU 103  -0.230 -13.622  -7.396
  848   1HB   GLU 103          2HB       GLU 103  -1.292 -14.767  -5.417
  849   2HB   GLU 103          3HB       GLU 103   0.122 -13.776  -5.064
  850   1HG   GLU 103          2HG       GLU 103  -1.232 -12.011  -4.123
  851   2HG   GLU 103          3HG       GLU 103  -2.726 -12.772  -4.643
  852    HHA  HEC 104           HHA      HEC 104   5.031   3.484   1.470
  853    HHB  HEC 104           HHB      HEC 104  -0.401   0.372  -0.161
  854    HHC  HEC 104           HHC      HEC 104  -3.173   6.056  -1.560
  855    HHD  HEC 104           HHD      HEC 104   2.648   8.805  -1.224
  856   1HMA  HEC 104          1HMA      HEC 104   1.907  -1.133   1.829
  857   2HMA  HEC 104          2HMA      HEC 104   1.082  -1.127   0.257
  858   3HMA  HEC 104          3HMA      HEC 104   2.828  -1.334   0.320
  859   1HAA  HEC 104          1HAA      HEC 104   4.456  -0.396   1.672
  860   2HAA  HEC 104          2HAA      HEC 104   4.921   1.079   2.515
  861   1HBA  HEC 104          1HBA      HEC 104   6.153   1.853   0.665
  862   2HBA  HEC 104          2HBA      HEC 104   5.417   0.709  -0.459
  863   1HMB  HEC 104          1HMB      HEC 104  -3.550   0.431  -0.314
  864   2HMB  HEC 104          2HMB      HEC 104  -3.569   0.817  -2.061
  865   3HMB  HEC 104          3HMB      HEC 104  -2.173   0.031  -1.360
  866    HAB  HEC 104           HAB      HEC 104  -4.656   4.657  -1.266
  867   1HBB  HEC 104          1HBB      HEC 104  -4.951   3.375   0.811
  868   2HBB  HEC 104          2HBB      HEC 104  -6.375   3.355  -0.258
  869   3HBB  HEC 104          3HBB      HEC 104  -5.325   1.934  -0.157
  870   1HMC  HEC 104          1HMC      HEC 104  -3.408   8.267  -1.931
  871   2HMC  HEC 104          2HMC      HEC 104  -2.512   9.654  -2.535
  872   3HMC  HEC 104          3HMC      HEC 104  -2.575   8.152  -3.484
  873    HAC  HEC 104           HAC      HEC 104   1.420  10.024  -2.318
  874   1HBC  HEC 104          1HBC      HEC 104   0.213  11.019  -0.469
  875   2HBC  HEC 104          2HBC      HEC 104   0.230  12.071  -1.897
  876   3HBC  HEC 104          3HBC      HEC 104  -1.241  11.174  -1.474
  877   1HMD  HEC 104          1HMD      HEC 104   5.172   9.155  -0.062
  878   2HMD  HEC 104          2HMD      HEC 104   6.323   8.047  -0.869
  879   3HMD  HEC 104          3HMD      HEC 104   4.848   8.565  -1.686
  880   1HAD  HEC 104          1HAD      HEC 104   7.072   5.596   0.658
  881   2HAD  HEC 104          2HAD      HEC 104   6.171   5.276   2.151
  882   1HBD  HEC 104          1HBD      HEC 104   5.822   7.882   2.123
  883   2HBD  HEC 104          2HBD      HEC 104   7.304   7.851   1.150
  Start of MODEL   35
    1   1H    THR  -5          H1        THR  -5 -13.958 -12.820  12.348
    2   2H    THR  -5          H2        THR  -5 -12.880 -13.777  13.157
    3   3H    THR  -5          H3        THR  -5 -14.219 -14.448  12.447
    4    HA   THR  -5           HA       THR  -5 -12.147 -14.817  11.236
    5    HB   THR  -5           HB       THR  -5 -13.875 -13.229   9.385
    6    HG1  THR  -5           1HG      THR  -5 -15.240 -15.199   9.575
    7   1HG2  THR  -5          1HG2      THR  -5 -12.959 -16.150   9.463
    8   2HG2  THR  -5          2HG2      THR  -5 -13.669 -15.287   8.072
    9   3HG2  THR  -5          3HG2      THR  -5 -12.056 -14.856   8.666
   10    H    GLU  -4           H        GLU  -4 -10.406 -14.004  11.056
   11    HA   GLU  -4           HA       GLU  -4  -9.425 -11.373  11.527
   12   1HB   GLU  -4          2HB       GLU  -4  -7.275 -12.532  10.663
   13   2HB   GLU  -4          3HB       GLU  -4  -7.998 -13.057  12.166
   14   1HG   GLU  -4          2HG       GLU  -4  -8.345 -14.519   9.515
   15   2HG   GLU  -4          3HG       GLU  -4  -7.126 -14.916  10.724
   16    H    PHE  -3           H        PHE  -3 -10.236 -13.034   8.515
   17    HA   PHE  -3           HA       PHE  -3 -10.187 -10.364   7.271
   18   1HB   PHE  -3          2HB       PHE  -3  -8.065 -11.459   6.577
   19   2HB   PHE  -3          3HB       PHE  -3  -8.982 -12.792   5.889
   20    HD1  PHE  -3           HD1      PHE  -3  -8.536  -9.057   5.674
   21    HD2  PHE  -3           HD2      PHE  -3  -9.621 -12.676   3.600
   22    HE1  PHE  -3           HE1      PHE  -3  -8.726  -7.787   3.545
   23    HE2  PHE  -3           HE2      PHE  -3  -9.816 -11.392   1.479
   24    HZ   PHE  -3           HZ       PHE  -3  -9.444  -8.963   1.441
   25    H    LYS  -2           H        LYS  -2 -11.478 -10.313   5.281
   26    HA   LYS  -2           HA       LYS  -2 -13.278 -12.512   4.654
   27   1HB   LYS  -2          2HB       LYS  -2 -14.474 -11.361   6.528
   28   2HB   LYS  -2          3HB       LYS  -2 -14.477  -9.858   5.593
   29   1HG   LYS  -2          2HG       LYS  -2 -15.821 -10.955   3.821
   30   2HG   LYS  -2          3HG       LYS  -2 -15.739 -12.495   4.699
   31   1HD   LYS  -2          2HD       LYS  -2 -16.951 -11.448   6.611
   32   2HD   LYS  -2          3HD       LYS  -2 -17.076  -9.933   5.681
   33   1HE   LYS  -2          2HE       LYS  -2 -18.326 -11.108   3.903
   34   2HE   LYS  -2          3HE       LYS  -2 -18.139 -12.644   4.754
   35   1HZ   LYS  -2          1HZ       LYS  -2 -19.635 -10.305   5.809
   36   2HZ   LYS  -2          2HZ       LYS  -2 -20.310 -11.656   5.169
   37   3HZ   LYS  -2          3HZ       LYS  -2 -19.470 -11.754   6.571
   38    H    ALA  -1           H        ALA  -1 -12.905 -12.582   2.485
   39    HA   ALA  -1           HA       ALA  -1 -11.902 -10.368   1.000
   40   1HB   ALA  -1          1HB       ALA  -1 -13.321 -12.875  -0.003
   41   2HB   ALA  -1          2HB       ALA  -1 -12.262 -11.813  -0.950
   42   3HB   ALA  -1          3HB       ALA  -1 -11.586 -12.765   0.388
   43    H    GLY   1           H        GLY   1 -12.778  -9.196  -0.628
   44   1HA   GLY   1          1HA       GLY   1 -15.776  -8.858  -0.761
   45   2HA   GLY   1          2HA       GLY   1 -14.634  -7.532  -1.000
   46    H    SER   2           H        SER   2 -14.039  -7.137  -3.111
   47    HA   SER   2           HA       SER   2 -13.762  -9.483  -4.949
   48   1HB   SER   2          2HB       SER   2 -15.995  -8.584  -5.435
   49   2HB   SER   2          3HB       SER   2 -15.281  -6.980  -5.680
   50    HG   SER   2           HG       SER   2 -15.390  -9.102  -7.356
   51    H    ALA   3           H        ALA   3 -12.157  -9.377  -6.403
   52    HA   ALA   3           HA       ALA   3 -10.119  -7.393  -6.245
   53   1HB   ALA   3          1HB       ALA   3 -10.701  -9.422  -8.445
   54   2HB   ALA   3          2HB       ALA   3  -9.181  -8.530  -8.218
   55   3HB   ALA   3          3HB       ALA   3  -9.702  -9.698  -6.995
   56    H    LYS   4           H        LYS   4 -13.090  -7.428  -8.153
   57    HA   LYS   4           HA       LYS   4 -12.138  -5.087  -9.722
   58   1HB   LYS   4          2HB       LYS   4 -14.635  -6.781  -9.926
   59   2HB   LYS   4          3HB       LYS   4 -14.583  -5.154 -10.621
   60   1HG   LYS   4          2HG       LYS   4 -12.472  -5.775 -11.844
   61   2HG   LYS   4          3HG       LYS   4 -12.711  -7.452 -11.320
   62   1HD   LYS   4          2HD       LYS   4 -14.844  -7.554 -12.536
   63   2HD   LYS   4          3HD       LYS   4 -14.745  -5.818 -12.913
   64   1HE   LYS   4          2HE       LYS   4 -12.622  -6.230 -14.165
   65   2HE   LYS   4          3HE       LYS   4 -12.795  -7.964 -13.871
   66   1HZ   LYS   4          1HZ       LYS   4 -14.740  -6.283 -15.364
   67   2HZ   LYS   4          2HZ       LYS   4 -13.657  -7.305 -16.054
   68   3HZ   LYS   4          3HZ       LYS   4 -14.874  -7.904 -15.133
   69    H    LYS   5           H        LYS   5 -13.934  -5.597  -7.002
   70    HA   LYS   5           HA       LYS   5 -15.069  -2.847  -6.700
   71   1HB   LYS   5          2HB       LYS   5 -14.559  -5.091  -4.717
   72   2HB   LYS   5          3HB       LYS   5 -15.038  -3.490  -4.200
   73   1HG   LYS   5          2HG       LYS   5 -16.797  -4.585  -6.321
   74   2HG   LYS   5          3HG       LYS   5 -16.739  -5.600  -4.893
   75   1HD   LYS   5          2HD       LYS   5 -17.102  -2.776  -4.124
   76   2HD   LYS   5          3HD       LYS   5 -18.307  -3.302  -5.281
   77   1HE   LYS   5          2HE       LYS   5 -19.157  -3.700  -3.070
   78   2HE   LYS   5          3HE       LYS   5 -18.879  -5.251  -3.871
   79   1HZ   LYS   5          1HZ       LYS   5 -17.038  -4.013  -1.865
   80   2HZ   LYS   5          2HZ       LYS   5 -18.038  -5.268  -1.557
   81   3HZ   LYS   5          3HZ       LYS   5 -16.724  -5.366  -2.554
   82    H    GLY   6           H        GLY   6 -12.380  -4.561  -5.085
   83   1HA   GLY   6          1HA       GLY   6 -11.034  -2.358  -4.020
   84   2HA   GLY   6          2HA       GLY   6 -10.261  -3.869  -4.502
   85    H    ALA   7           H        ALA   7 -10.584  -3.735  -7.346
   86    HA   ALA   7           HA       ALA   7  -8.604  -1.983  -8.231
   87   1HB   ALA   7          1HB       ALA   7 -10.964  -3.073  -9.829
   88   2HB   ALA   7          2HB       ALA   7  -9.466  -2.405 -10.502
   89   3HB   ALA   7          3HB       ALA   7  -9.417  -3.901  -9.565
   90    H    THR   8           H        THR   8 -12.153  -1.423  -8.662
   91    HA   THR   8           HA       THR   8 -11.835   1.219  -9.737
   92    HB   THR   8           HB       THR   8 -14.202   1.610  -9.159
   93    HG1  THR   8           1HG      THR   8 -13.851  -0.777  -7.727
   94   1HG2  THR   8          1HG2      THR   8 -13.698  -1.118 -10.410
   95   2HG2  THR   8          2HG2      THR   8 -15.160  -0.128 -10.572
   96   3HG2  THR   8          3HG2      THR   8 -13.627   0.450 -11.250
   97    H    LEU   9           H        LEU   9 -11.900   0.189  -6.345
   98    HA   LEU   9           HA       LEU   9 -12.069   2.814  -5.260
   99   1HB   LEU   9          2HB       LEU   9 -12.463   0.257  -4.300
  100   2HB   LEU   9          3HB       LEU   9 -10.816   0.535  -3.746
  101    HG   LEU   9           HG       LEU   9 -11.785   2.845  -2.980
  102   1HD1  LEU   9          1HD1      LEU   9 -14.318   1.156  -2.981
  103   2HD1  LEU   9          2HD1      LEU   9 -14.143   2.766  -2.255
  104   3HD1  LEU   9          3HD1      LEU   9 -14.022   2.568  -4.015
  105   1HD2  LEU   9          1HD2      LEU   9 -10.941   1.154  -1.409
  106   2HD2  LEU   9          2HD2      LEU   9 -12.400   1.920  -0.780
  107   3HD2  LEU   9          3HD2      LEU   9 -12.489   0.290  -1.482
  108    H    PHE  10           H        PHE  10  -9.305   0.489  -5.507
  109    HA   PHE  10           HA       PHE  10  -7.226   2.190  -4.744
  110   1HB   PHE  10          2HB       PHE  10  -7.005  -0.226  -5.070
  111   2HB   PHE  10          3HB       PHE  10  -7.252  -0.051  -6.798
  112    HD1  PHE  10           HD1      PHE  10  -5.505   0.908  -8.238
  113    HD2  PHE  10           HD2      PHE  10  -4.844   0.283  -4.031
  114    HE1  PHE  10           HE1      PHE  10  -3.037   1.111  -8.588
  115    HE2  PHE  10           HE2      PHE  10  -2.409   0.550  -4.375
  116    HZ   PHE  10           HZ       PHE  10  -1.499   0.956  -6.660
  117    H    LYS  11           H        LYS  11  -8.719   1.907  -7.956
  118    HA   LYS  11           HA       LYS  11  -6.828   3.466  -9.423
  119   1HB   LYS  11          2HB       LYS  11  -8.871   1.985 -10.238
  120   2HB   LYS  11          3HB       LYS  11  -9.753   3.499 -10.146
  121   1HG   LYS  11          2HG       LYS  11  -9.064   3.682 -12.319
  122   2HG   LYS  11          3HG       LYS  11  -7.593   4.327 -11.600
  123   1HD   LYS  11          2HD       LYS  11  -6.744   1.861 -11.609
  124   2HD   LYS  11          3HD       LYS  11  -8.114   1.517 -12.662
  125   1HE   LYS  11          2HE       LYS  11  -7.340   3.061 -14.355
  126   2HE   LYS  11          3HE       LYS  11  -6.127   3.746 -13.276
  127   1HZ   LYS  11          1HZ       LYS  11  -6.028   0.953 -14.293
  128   2HZ   LYS  11          2HZ       LYS  11  -5.146   2.191 -14.892
  129   3HZ   LYS  11          3HZ       LYS  11  -4.881   1.672 -13.378
  130    H    THR  12           H        THR  12  -9.207   4.571  -7.188
  131    HA   THR  12           HA       THR  12  -8.621   7.449  -7.853
  132    HB   THR  12           HB       THR  12 -10.718   8.006  -6.706
  133    HG1  THR  12           1HG      THR  12 -11.391   5.276  -6.819
  134   1HG2  THR  12          1HG2      THR  12 -11.182   5.964  -8.929
  135   2HG2  THR  12          2HG2      THR  12 -12.313   7.218  -8.384
  136   3HG2  THR  12          3HG2      THR  12 -10.789   7.682  -9.160
  137    H    ARG  13           H        ARG  13  -8.693   5.108  -5.233
  138    HA   ARG  13           HA       ARG  13  -8.067   7.194  -3.306
  139   1HB   ARG  13          2HB       ARG  13  -7.870   4.152  -3.019
  140   2HB   ARG  13          3HB       ARG  13  -7.824   5.293  -1.685
  141   1HG   ARG  13          2HG       ARG  13 -10.247   4.759  -3.464
  142   2HG   ARG  13          3HG       ARG  13  -9.942   4.094  -1.871
  143   1HD   ARG  13          2HD       ARG  13  -9.839   6.660  -1.186
  144   2HD   ARG  13          3HD       ARG  13 -10.722   6.873  -2.703
  145    HE   ARG  13           HE       ARG  13 -11.724   4.813  -0.791
  146   1HH1  ARG  13          1HH2      ARG  13 -12.256   8.043  -2.001
  147   2HH1  ARG  13          2HH2      ARG  13 -13.791   8.197  -1.206
  148   1HH2  ARG  13          1HH1      ARG  13 -13.721   4.996   0.136
  149   2HH2  ARG  13          2HH1      ARG  13 -14.594   6.500  -0.061
  150    H    CYS  14           H        CYS  14  -6.095   4.955  -5.164
  151    HA   CYS  14           HA       CYS  14  -3.679   5.751  -3.588
  152   1HB   CYS  14          2HB       CYS  14  -4.108   3.132  -4.988
  153   2HB   CYS  14          3HB       CYS  14  -2.928   3.509  -3.743
  154    H    LEU  15           H        LEU  15  -4.801   4.624  -6.804
  155    HA   LEU  15           HA       LEU  15  -2.311   4.597  -8.004
  156   1HB   LEU  15          2HB       LEU  15  -4.678   3.684  -8.648
  157   2HB   LEU  15          3HB       LEU  15  -4.765   5.106  -9.680
  158    HG   LEU  15           HG       LEU  15  -2.472   3.061  -9.768
  159   1HD1  LEU  15          1HD1      LEU  15  -4.962   3.207 -11.461
  160   2HD1  LEU  15          2HD1      LEU  15  -3.630   2.019 -11.634
  161   3HD1  LEU  15          3HD1      LEU  15  -4.672   1.978 -10.205
  162   1HD2  LEU  15          1HD2      LEU  15  -1.853   5.043 -11.009
  163   2HD2  LEU  15          2HD2      LEU  15  -2.326   3.845 -12.184
  164   3HD2  LEU  15          3HD2      LEU  15  -3.456   5.166 -11.765
  165    H    GLN  16           H        GLN  16  -4.229   7.419  -7.461
  166    HA   GLN  16           HA       GLN  16  -3.022   9.387  -9.077
  167   1HB   GLN  16          2HB       GLN  16  -3.339  10.877  -7.098
  168   2HB   GLN  16          3HB       GLN  16  -4.775   9.982  -7.593
  169   1HG   GLN  16          2HG       GLN  16  -4.500   8.396  -5.725
  170   2HG   GLN  16          3HG       GLN  16  -2.976   9.167  -5.266
  171   1HE2  GLN  16          2HE2      GLN  16  -6.530   9.428  -5.018
  172   2HE2  GLN  16          1HE2      GLN  16  -6.325  10.821  -3.941
  173    H    CYS  17           H        CYS  17  -1.621   7.728  -6.238
  174    HA   CYS  17           HA       CYS  17   1.001   9.071  -6.684
  175   1HB   CYS  17          2HB       CYS  17  -0.160   7.729  -4.240
  176   2HB   CYS  17          3HB       CYS  17   1.461   8.409  -4.363
  177    H    HIS  18           H        HIS  18  -0.575   5.961  -6.899
  178    HA   HIS  18           HA       HIS  18   2.065   4.535  -6.836
  179   1HB   HIS  18          1HB       HIS  18  -0.698   3.865  -5.756
  180   2HB   HIS  18          2HB       HIS  18   0.445   2.595  -6.128
  181    HD1  HIS  18           HD1      HIS  18   3.013   3.075  -4.941
  182    HD2  HIS  18           HD2      HIS  18  -0.476   4.723  -3.282
  183    HE1  HIS  18           HE1      HIS  18   3.588   3.684  -2.531
  184    H    THR  19           H        THR  19   2.157   2.454  -7.919
  185    HA   THR  19           HA       THR  19   0.342   2.069 -10.249
  186    HB   THR  19           HB       THR  19   2.244   1.332 -11.573
  187    HG1  THR  19           1HG      THR  19   3.950   0.953 -10.403
  188   1HG2  THR  19          1HG2      THR  19   2.651   4.185 -10.589
  189   2HG2  THR  19          2HG2      THR  19   3.157   3.510 -12.141
  190   3HG2  THR  19          3HG2      THR  19   1.428   3.683 -11.785
  191    H    VAL  20           H        VAL  20   0.382  -0.146 -11.089
  192    HA   VAL  20           HA       VAL  20   0.748  -2.143  -8.886
  193    HB   VAL  20           HB       VAL  20  -1.524  -1.126  -8.977
  194   1HG1  VAL  20          1HG1      VAL  20  -1.772  -2.541 -11.661
  195   2HG1  VAL  20          2HG1      VAL  20  -3.091  -1.791 -10.767
  196   3HG1  VAL  20          3HG1      VAL  20  -1.781  -0.785 -11.395
  197   1HG2  VAL  20          1HG2      VAL  20  -1.078  -3.425  -8.085
  198   2HG2  VAL  20          2HG2      VAL  20  -2.730  -3.181  -8.677
  199   3HG2  VAL  20          3HG2      VAL  20  -1.566  -4.057  -9.678
  200    H    GLU  21           H        GLU  21   1.065  -1.403 -12.176
  201    HA   GLU  21           HA       GLU  21   1.579  -4.187 -13.015
  202   1HB   GLU  21          2HB       GLU  21   1.859  -1.880 -14.881
  203   2HB   GLU  21          3HB       GLU  21   1.245  -3.478 -15.154
  204   1HG   GLU  21          2HG       GLU  21  -0.627  -2.217 -15.509
  205   2HG   GLU  21          3HG       GLU  21  -0.885  -2.802 -13.884
  206    H    LYS  22           H        LYS  22   3.708  -4.722 -14.047
  207    HA   LYS  22           HA       LYS  22   5.913  -3.269 -12.928
  208   1HB   LYS  22          2HB       LYS  22   5.732  -5.755 -13.455
  209   2HB   LYS  22          3HB       LYS  22   6.000  -5.345 -15.163
  210   1HG   LYS  22          2HG       LYS  22   8.179  -4.422 -14.688
  211   2HG   LYS  22          3HG       LYS  22   7.820  -4.302 -12.958
  212   1HD   LYS  22          2HD       LYS  22   7.619  -6.885 -12.984
  213   2HD   LYS  22          3HD       LYS  22   8.240  -6.792 -14.609
  214   1HE   LYS  22          2HE       LYS  22  10.050  -7.235 -12.909
  215   2HE   LYS  22          3HE       LYS  22  10.321  -5.653 -13.657
  216   1HZ   LYS  22          1HZ       LYS  22   8.792  -5.847 -11.102
  217   2HZ   LYS  22          2HZ       LYS  22  10.457  -5.649 -11.128
  218   3HZ   LYS  22          3HZ       LYS  22   9.546  -4.555 -11.723
  219    H    GLY  23           H        GLY  23   7.474  -2.069 -13.977
  220   1HA   GLY  23          1HA       GLY  23   8.300  -0.545 -15.601
  221   2HA   GLY  23          2HA       GLY  23   6.939  -0.916 -16.662
  222    H    GLY  24           H        GLY  24   5.012  -0.552 -14.280
  223   1HA   GLY  24          1HA       GLY  24   4.136   2.028 -14.287
  224   2HA   GLY  24          2HA       GLY  24   4.083   0.974 -12.887
  225    HA   PRO  25           HA       PRO  25   8.005   3.814 -12.822
  226   1HB   PRO  25          2HB       PRO  25   7.559   6.470 -13.330
  227   2HB   PRO  25          3HB       PRO  25   7.859   5.261 -14.616
  228   1HG   PRO  25          2HG       PRO  25   5.178   6.287 -13.623
  229   2HG   PRO  25          3HG       PRO  25   5.757   6.165 -15.319
  230   1HD   PRO  25          2HD       PRO  25   4.197   4.243 -14.206
  231   2HD   PRO  25          3HD       PRO  25   5.528   3.810 -15.320
  232    H    HIS  26           H        HIS  26   8.770   4.562 -10.963
  233    HA   HIS  26           HA       HIS  26   7.109   4.795  -8.664
  234   1HB   HIS  26          2HB       HIS  26  10.042   5.498  -9.016
  235   2HB   HIS  26          3HB       HIS  26   9.161   5.240  -7.501
  236    HD1  HIS  26           HD1      HIS  26   7.669   2.499  -8.677
  237    HD2  HIS  26           HD2      HIS  26  11.759   3.460  -8.474
  238    HE1  HIS  26           HE1      HIS  26   8.971   0.296  -8.231
  239    H    LYS  27           H        LYS  27   5.693   6.330  -9.026
  240    HA   LYS  27           HA       LYS  27   6.006   9.184  -9.207
  241   1HB   LYS  27          2HB       LYS  27   3.943   7.152  -8.295
  242   2HB   LYS  27          3HB       LYS  27   3.588   8.851  -8.034
  243   1HG   LYS  27          2HG       LYS  27   3.562   9.347 -10.346
  244   2HG   LYS  27          3HG       LYS  27   4.193   7.747 -10.789
  245   1HD   LYS  27          2HD       LYS  27   2.213   6.633 -10.258
  246   2HD   LYS  27          3HD       LYS  27   1.662   7.857  -9.126
  247   1HE   LYS  27          2HE       LYS  27   1.791   8.346 -12.117
  248   2HE   LYS  27          3HE       LYS  27   0.377   7.664 -11.292
  249   1HZ   LYS  27          1HZ       LYS  27   1.562  10.295 -10.603
  250   2HZ   LYS  27          2HZ       LYS  27   0.191  10.090 -11.496
  251   3HZ   LYS  27          3HZ       LYS  27   0.228   9.641  -9.922
  252    H    VAL  28           H        VAL  28   4.625  10.173  -7.121
  253    HA   VAL  28           HA       VAL  28   6.095  10.591  -4.770
  254    HB   VAL  28           HB       VAL  28   3.070  10.254  -5.007
  255   1HG1  VAL  28          1HG1      VAL  28   4.788  11.790  -3.006
  256   2HG1  VAL  28          2HG1      VAL  28   3.017  11.920  -3.134
  257   3HG1  VAL  28          3HG1      VAL  28   3.749  10.388  -2.679
  258   1HG2  VAL  28          1HG2      VAL  28   3.800  11.902  -6.669
  259   2HG2  VAL  28          2HG2      VAL  28   3.018  12.724  -5.323
  260   3HG2  VAL  28          3HG2      VAL  28   4.789  12.728  -5.447
  261    H    GLY  29           H        GLY  29   3.982   7.759  -5.557
  262   1HA   GLY  29          1HA       GLY  29   5.140   6.352  -3.203
  263   2HA   GLY  29          2HA       GLY  29   3.595   5.978  -3.962
  264    HA   PRO  30           HA       PRO  30   7.149   3.970  -6.439
  265   1HB   PRO  30          2HB       PRO  30   8.241   1.934  -5.012
  266   2HB   PRO  30          3HB       PRO  30   8.803   3.623  -4.885
  267   1HG   PRO  30          2HG       PRO  30   6.933   2.130  -3.026
  268   2HG   PRO  30          3HG       PRO  30   8.301   3.227  -2.623
  269   1HD   PRO  30          2HD       PRO  30   5.664   4.010  -2.656
  270   2HD   PRO  30          3HD       PRO  30   7.030   5.108  -2.934
  271    H    ASN  31           H        ASN  31   7.309   1.441  -7.010
  272    HA   ASN  31           HA       ASN  31   4.557   0.830  -7.786
  273   1HB   ASN  31          2HB       ASN  31   6.664   0.626  -9.255
  274   2HB   ASN  31          3HB       ASN  31   7.014  -0.871  -8.357
  275   1HD2  ASN  31          2HD2      ASN  31   5.757   0.201 -11.174
  276   2HD2  ASN  31          1HD2      ASN  31   4.556  -1.086 -11.405
  277    H    LEU  32           H        LEU  32   3.217  -0.668  -6.968
  278    HA   LEU  32           HA       LEU  32   4.023  -1.949  -4.436
  279   1HB   LEU  32          2HB       LEU  32   1.322  -1.610  -5.787
  280   2HB   LEU  32          3HB       LEU  32   1.573  -2.275  -4.176
  281    HG   LEU  32           HG       LEU  32   2.246   0.585  -5.016
  282   1HD1  LEU  32          1HD1      LEU  32   0.003  -0.561  -3.300
  283   2HD1  LEU  32          2HD1      LEU  32   0.326   1.168  -3.553
  284   3HD1  LEU  32          3HD1      LEU  32  -0.152   0.148  -4.923
  285   1HD2  LEU  32          1HD2      LEU  32   3.734  -0.102  -3.203
  286   2HD2  LEU  32          2HD2      LEU  32   2.488   0.958  -2.539
  287   3HD2  LEU  32          3HD2      LEU  32   2.365  -0.792  -2.296
  288    H    HIS  33           H        HIS  33   3.858  -3.079  -7.646
  289    HA   HIS  33           HA       HIS  33   2.235  -5.329  -7.424
  290   1HB   HIS  33          2HB       HIS  33   2.626  -5.640  -9.584
  291   2HB   HIS  33          3HB       HIS  33   3.221  -3.998  -9.473
  292    HD1  HIS  33           HD1      HIS  33   4.309  -7.569  -9.936
  293    HD2  HIS  33           HD2      HIS  33   5.957  -3.710  -9.968
  294    HE1  HIS  33           HE1      HIS  33   6.542  -7.754 -11.176
  295    H    GLY  34           H        GLY  34   5.003  -5.288  -5.757
  296   1HA   GLY  34          1HA       GLY  34   5.051  -8.232  -5.480
  297   2HA   GLY  34          2HA       GLY  34   6.583  -7.467  -5.896
  298    H    ILE  35           H        ILE  35   4.378  -5.673  -3.798
  299    HA   ILE  35           HA       ILE  35   6.431  -5.635  -1.749
  300    HB   ILE  35           HB       ILE  35   4.948  -4.210  -0.445
  301   1HG1  ILE  35          2HG1      ILE  35   2.924  -3.310  -2.034
  302   2HG1  ILE  35          3HG1      ILE  35   2.852  -5.024  -2.423
  303   1HG2  ILE  35          1HG2      ILE  35   5.334  -3.429  -3.352
  304   2HG2  ILE  35          2HG2      ILE  35   5.062  -2.315  -1.993
  305   3HG2  ILE  35          3HG2      ILE  35   6.518  -3.306  -2.035
  306   1HD1  ILE  35          1HD1      ILE  35   2.709  -3.826   0.376
  307   2HD1  ILE  35          2HD1      ILE  35   1.343  -4.433  -0.578
  308   3HD1  ILE  35          3HD1      ILE  35   2.588  -5.558  -0.015
  309    H    PHE  36           H        PHE  36   3.524  -7.627  -2.007
  310    HA   PHE  36           HA       PHE  36   3.274  -8.308   0.755
  311   1HB   PHE  36          2HB       PHE  36   2.404  -9.635  -1.813
  312   2HB   PHE  36          3HB       PHE  36   2.133 -10.381  -0.252
  313    HD1  PHE  36           HD1      PHE  36   0.391  -9.719   1.233
  314    HD2  PHE  36           HD2      PHE  36   1.283  -7.319  -2.255
  315    HE1  PHE  36           HE1      PHE  36  -1.598  -8.379   1.657
  316    HE2  PHE  36           HE2      PHE  36  -0.724  -5.933  -1.796
  317    HZ   PHE  36           HZ       PHE  36  -2.170  -6.460   0.169
  318    H    GLY  37           H        GLY  37   4.555  -9.363   1.967
  319   1HA   GLY  37          1HA       GLY  37   6.077 -11.061   2.700
  320   2HA   GLY  37          2HA       GLY  37   6.259 -11.615   1.038
  321    H    ARG  38           H        ARG  38   6.623  -8.227   1.231
  322    HA   ARG  38           HA       ARG  38   9.583  -8.386   1.530
  323   1HB   ARG  38          2HB       ARG  38   8.408  -7.730  -0.788
  324   2HB   ARG  38          3HB       ARG  38   8.246  -6.161  -0.029
  325   1HG   ARG  38          2HG       ARG  38  10.257  -6.054  -1.264
  326   2HG   ARG  38          3HG       ARG  38  10.795  -6.310   0.397
  327   1HD   ARG  38          2HD       ARG  38  10.672  -8.879  -0.267
  328   2HD   ARG  38          3HD       ARG  38  10.690  -8.240  -1.919
  329    HE   ARG  38           HE       ARG  38  12.786  -7.058  -0.290
  330   1HH1  ARG  38          1HH2      ARG  38  12.153 -10.065  -1.909
  331   2HH1  ARG  38          2HH2      ARG  38  13.842 -10.492  -1.989
  332   1HH2  ARG  38          1HH1      ARG  38  14.807  -7.576  -0.358
  333   2HH2  ARG  38          2HH1      ARG  38  15.381  -9.064  -1.090
  334    H    HIS  39           H        HIS  39  10.513  -6.359   2.169
  335    HA   HIS  39           HA       HIS  39   9.125  -5.485   4.657
  336   1HB   HIS  39          2HB       HIS  39  12.051  -5.250   3.929
  337   2HB   HIS  39          3HB       HIS  39  11.299  -4.778   5.457
  338    HD1  HIS  39           HD1      HIS  39  12.679  -7.800   3.738
  339    HD2  HIS  39           HD2      HIS  39  10.124  -6.836   6.928
  340    HE1  HIS  39           HE1      HIS  39  12.340  -9.974   5.087
  341    H    SER  40           H        SER  40   8.581  -3.458   5.102
  342    HA   SER  40           HA       SER  40   8.123  -1.527   3.276
  343   1HB   SER  40          2HB       SER  40   7.718   0.044   5.070
  344   2HB   SER  40          3HB       SER  40   7.126  -1.568   5.484
  345    HG   SER  40           HG       SER  40   9.463  -0.261   6.410
  346    H    GLY  41           H        GLY  41   9.240  -0.399   1.969
  347   1HA   GLY  41          1HA       GLY  41  10.945   1.135   1.323
  348   2HA   GLY  41          2HA       GLY  41  11.950   0.659   2.670
  349    H    GLN  42           H        GLN  42  10.538  -1.497   0.119
  350    HA   GLN  42           HA       GLN  42  13.283  -1.963  -0.946
  351   1HB   GLN  42          2HB       GLN  42  11.452  -4.130   0.131
  352   2HB   GLN  42          3HB       GLN  42  12.898  -4.428  -0.847
  353   1HG   GLN  42          2HG       GLN  42  14.178  -3.058   0.901
  354   2HG   GLN  42          3HG       GLN  42  12.781  -3.267   1.946
  355   1HE2  GLN  42          2HE2      GLN  42  14.604  -4.306   3.279
  356   2HE2  GLN  42          1HE2      GLN  42  14.893  -6.016   3.008
  357    H    ALA  43           H        ALA  43  10.706  -0.731  -2.213
  358    HA   ALA  43           HA       ALA  43  10.328  -2.377  -4.576
  359   1HB   ALA  43          1HB       ALA  43  10.010   0.623  -4.227
  360   2HB   ALA  43          2HB       ALA  43   9.360  -0.353  -5.560
  361   3HB   ALA  43          3HB       ALA  43   8.747  -0.596  -3.921
  362    H    GLU  44           H        GLU  44  10.909  -1.118  -6.802
  363    HA   GLU  44           HA       GLU  44  13.425  -2.253  -7.099
  364   1HB   GLU  44          2HB       GLU  44  11.958  -0.716  -9.266
  365   2HB   GLU  44          3HB       GLU  44  13.117  -2.044  -9.431
  366   1HG   GLU  44          2HG       GLU  44  11.386  -3.385  -7.964
  367   2HG   GLU  44          3HG       GLU  44  10.250  -2.124  -8.423
  368    H    GLY  45           H        GLY  45  14.743  -0.965  -5.712
  369   1HA   GLY  45          1HA       GLY  45  16.744   0.294  -5.583
  370   2HA   GLY  45          2HA       GLY  45  16.429   0.972  -7.183
  371    H    TYR  46           H        TYR  46  13.650   1.244  -5.233
  372    HA   TYR  46           HA       TYR  46  13.997   4.174  -5.263
  373   1HB   TYR  46          2HB       TYR  46  12.042   2.990  -6.146
  374   2HB   TYR  46          3HB       TYR  46  11.526   2.603  -4.532
  375    HD1  TYR  46           HD1      TYR  46  11.939   5.244  -7.089
  376    HD2  TYR  46           HD2      TYR  46  10.995   4.514  -2.972
  377    HE1  TYR  46           HE1      TYR  46  10.714   7.414  -7.003
  378    HE2  TYR  46           HE2      TYR  46   9.725   6.703  -2.887
  379    HH   TYR  46           HH       TYR  46   8.672   8.292  -5.617
  380    H    SER  47           H        SER  47  13.595   5.609  -3.545
  381    HA   SER  47           HA       SER  47  14.894   4.557  -1.055
  382   1HB   SER  47          2HB       SER  47  15.652   6.892  -2.805
  383   2HB   SER  47          3HB       SER  47  16.204   6.719  -1.124
  384    HG   SER  47           HG       SER  47  16.543   4.713  -3.123
  385    H    TYR  48           H        TYR  48  13.691   4.755   0.537
  386    HA   TYR  48           HA       TYR  48  11.365   6.376   0.452
  387   1HB   TYR  48          2HB       TYR  48  12.364   4.154   2.263
  388   2HB   TYR  48          3HB       TYR  48  10.798   4.922   2.468
  389    HD1  TYR  48           HD1      TYR  48   8.952   3.974   1.565
  390    HD2  TYR  48           HD2      TYR  48  12.773   3.195  -0.325
  391    HE1  TYR  48           HE1      TYR  48   7.908   2.317   0.093
  392    HE2  TYR  48           HE2      TYR  48  11.677   1.595  -1.842
  393    HH   TYR  48           HH       TYR  48   8.603   0.246  -1.106
  394    H    THR  49           H        THR  49  12.207   5.735   3.666
  395    HA   THR  49           HA       THR  49  13.333   8.327   4.435
  396    HB   THR  49           HB       THR  49  11.547   8.515   6.268
  397    HG1  THR  49           1HG      THR  49   9.987   7.053   4.431
  398   1HG2  THR  49          1HG2      THR  49  10.481   8.979   3.470
  399   2HG2  THR  49          2HG2      THR  49   9.943   9.761   4.973
  400   3HG2  THR  49          3HG2      THR  49  11.571  10.080   4.340
  401    H    ASP  50           H        ASP  50  14.212   8.202   6.610
  402    HA   ASP  50           HA       ASP  50  15.049   5.664   7.540
  403   1HB   ASP  50          2HB       ASP  50  16.058   7.852   8.131
  404   2HB   ASP  50          3HB       ASP  50  14.645   8.215   9.136
  405    H    ALA  51           H        ALA  51  12.121   7.522   8.393
  406    HA   ALA  51           HA       ALA  51  11.087   5.813  10.391
  407   1HB   ALA  51          1HB       ALA  51   9.566   7.523   8.375
  408   2HB   ALA  51          2HB       ALA  51   8.976   6.941   9.953
  409   3HB   ALA  51          3HB       ALA  51  10.297   8.107   9.891
  410    H    ASN  52           H        ASN  52  10.443   5.636   6.805
  411    HA   ASN  52           HA       ASN  52   8.746   3.302   7.098
  412   1HB   ASN  52          2HB       ASN  52   8.859   4.978   5.143
  413   2HB   ASN  52          3HB       ASN  52  10.231   4.040   4.557
  414   1HD2  ASN  52          2HD2      ASN  52   9.705   1.990   3.474
  415   2HD2  ASN  52          1HD2      ASN  52   8.040   1.568   3.179
  416    H    ILE  53           H        ILE  53  12.229   3.687   6.716
  417    HA   ILE  53           HA       ILE  53  12.775   0.865   6.316
  418    HB   ILE  53           HB       ILE  53  14.470   3.228   7.099
  419   1HG1  ILE  53          2HG1      ILE  53  14.425   1.643   4.470
  420   2HG1  ILE  53          3HG1      ILE  53  13.435   3.068   4.728
  421   1HG2  ILE  53          1HG2      ILE  53  15.414   0.395   6.435
  422   2HG2  ILE  53          2HG2      ILE  53  16.488   1.803   6.564
  423   3HG2  ILE  53          3HG2      ILE  53  15.624   1.245   7.984
  424   1HD1  ILE  53          1HD1      ILE  53  16.469   3.009   4.667
  425   2HD1  ILE  53          2HD1      ILE  53  15.363   3.747   3.500
  426   3HD1  ILE  53          3HD1      ILE  53  15.499   4.426   5.134
  427    H    LYS  54           H        LYS  54  13.308   2.954   9.233
  428    HA   LYS  54           HA       LYS  54  13.780   0.747  11.020
  429   1HB   LYS  54          2HB       LYS  54  12.784   3.586  11.530
  430   2HB   LYS  54          3HB       LYS  54  13.151   2.411  12.795
  431   1HG   LYS  54          2HG       LYS  54  15.488   2.193  11.749
  432   2HG   LYS  54          3HG       LYS  54  15.109   3.653  10.823
  433   1HD   LYS  54          2HD       LYS  54  14.732   4.914  12.909
  434   2HD   LYS  54          3HD       LYS  54  14.906   3.439  13.863
  435   1HE   LYS  54          2HE       LYS  54  16.936   4.530  14.153
  436   2HE   LYS  54          3HE       LYS  54  17.290   3.241  12.993
  437   1HZ   LYS  54          1HZ       LYS  54  16.655   6.027  12.163
  438   2HZ   LYS  54          2HZ       LYS  54  18.216   5.500  12.360
  439   3HZ   LYS  54          3HZ       LYS  54  17.181   4.935  11.204
  440    H    LYS  55           H        LYS  55  10.966   1.462   9.440
  441    HA   LYS  55           HA       LYS  55   9.164   0.214  11.490
  442   1HB   LYS  55          2HB       LYS  55   8.085   1.852  10.047
  443   2HB   LYS  55          3HB       LYS  55   8.751   1.100   8.628
  444   1HG   LYS  55          2HG       LYS  55   6.631   0.437   8.406
  445   2HG   LYS  55          3HG       LYS  55   7.317  -0.954   9.175
  446   1HD   LYS  55          2HD       LYS  55   5.412   1.087  10.376
  447   2HD   LYS  55          3HD       LYS  55   5.152  -0.584  10.036
  448   1HE   LYS  55          2HE       LYS  55   5.401  -0.704  12.280
  449   2HE   LYS  55          3HE       LYS  55   7.075  -1.011  11.786
  450   1HZ   LYS  55          1HZ       LYS  55   5.944   1.636  12.569
  451   2HZ   LYS  55          2HZ       LYS  55   6.923   0.704  13.520
  452   3HZ   LYS  55          3HZ       LYS  55   7.497   1.376  12.121
  453    H    ASN  56           H        ASN  56  10.978  -0.739   8.699
  454    HA   ASN  56           HA       ASN  56  10.773  -2.528   7.313
  455   1HB   ASN  56          2HB       ASN  56  12.670  -2.738   9.414
  456   2HB   ASN  56          3HB       ASN  56  12.096  -4.373   9.124
  457   1HD2  ASN  56          2HD2      ASN  56  13.136  -1.451   7.406
  458   2HD2  ASN  56          1HD2      ASN  56  13.831  -2.313   6.022
  459    H    VAL  57           H        VAL  57   8.363  -2.391   7.783
  460    HA   VAL  57           HA       VAL  57   7.182  -4.797   8.957
  461    HB   VAL  57           HB       VAL  57   6.217  -2.267   7.837
  462   1HG1  VAL  57          1HG1      VAL  57   4.596  -4.688   7.077
  463   2HG1  VAL  57          2HG1      VAL  57   3.884  -3.085   7.384
  464   3HG1  VAL  57          3HG1      VAL  57   5.090  -3.304   6.120
  465   1HG2  VAL  57          1HG2      VAL  57   6.174  -2.892  10.193
  466   2HG2  VAL  57          2HG2      VAL  57   4.526  -2.666   9.578
  467   3HG2  VAL  57          3HG2      VAL  57   5.158  -4.292   9.848
  468    H    LEU  58           H        LEU  58   7.349  -6.647   8.111
  469    HA   LEU  58           HA       LEU  58   7.557  -7.293   5.291
  470   1HB   LEU  58          2HB       LEU  58   8.286  -8.763   7.136
  471   2HB   LEU  58          3HB       LEU  58   6.618  -9.006   7.632
  472    HG   LEU  58           HG       LEU  58   7.496  -9.640   4.785
  473   1HD1  LEU  58          1HD1      LEU  58   7.717 -11.512   7.174
  474   2HD1  LEU  58          2HD1      LEU  58   8.039 -11.918   5.470
  475   3HD1  LEU  58          3HD1      LEU  58   9.082 -10.764   6.314
  476   1HD2  LEU  58          1HD2      LEU  58   5.074  -9.817   5.167
  477   2HD2  LEU  58          2HD2      LEU  58   5.741 -11.438   5.021
  478   3HD2  LEU  58          3HD2      LEU  58   5.339 -10.792   6.622
  479    H    TRP  59           H        TRP  59   5.979  -6.351   4.051
  480    HA   TRP  59           HA       TRP  59   3.290  -5.801   4.795
  481   1HB   TRP  59          2HB       TRP  59   4.479  -6.242   2.078
  482   2HB   TRP  59          3HB       TRP  59   2.902  -5.544   2.391
  483    HD1  TRP  59           HD1      TRP  59   6.301  -4.468   1.648
  484    HE1  TRP  59           HE1      TRP  59   6.625  -1.966   2.181
  485    HE3  TRP  59           HE3      TRP  59   2.201  -3.712   4.605
  486    HZ2  TRP  59           HZ2      TRP  59   5.518  -0.048   3.956
  487    HZ3  TRP  59           HZ3      TRP  59   1.867  -1.569   5.756
  488    HH2  TRP  59           HH2      TRP  59   3.548   0.287   5.497
  489    H    ASP  60           H        ASP  60   1.672  -6.976   5.118
  490    HA   ASP  60           HA       ASP  60   1.139  -9.677   4.092
  491   1HB   ASP  60          2HB       ASP  60   2.557 -10.200   5.941
  492   2HB   ASP  60          3HB       ASP  60   1.982  -8.809   6.852
  493    H    GLU  61           H        GLU  61  -1.024 -10.275   5.110
  494    HA   GLU  61           HA       GLU  61  -2.778  -8.407   3.829
  495   1HB   GLU  61          2HB       GLU  61  -3.129 -11.063   5.142
  496   2HB   GLU  61          3HB       GLU  61  -4.533 -10.016   5.225
  497   1HG   GLU  61          2HG       GLU  61  -4.997 -11.109   3.292
  498   2HG   GLU  61          3HG       GLU  61  -4.229  -9.666   2.667
  499    H    ASN  62           H        ASN  62  -2.699  -9.266   7.306
  500    HA   ASN  62           HA       ASN  62  -4.393  -7.078   8.177
  501   1HB   ASN  62          2HB       ASN  62  -3.295  -7.756  10.448
  502   2HB   ASN  62          3HB       ASN  62  -4.362  -8.887   9.626
  503   1HD2  ASN  62          2HD2      ASN  62  -0.843  -8.250  10.293
  504   2HD2  ASN  62          1HD2      ASN  62  -0.454  -9.821   9.561
  505    H    ASN  63           H        ASN  63  -0.900  -7.545   8.021
  506    HA   ASN  63           HA       ASN  63  -0.113  -5.245   9.500
  507   1HB   ASN  63          2HB       ASN  63   1.221  -7.324   8.768
  508   2HB   ASN  63          3HB       ASN  63   1.437  -6.534   7.203
  509   1HD2  ASN  63          2HD2      ASN  63   3.740  -7.099   8.227
  510   2HD2  ASN  63          1HD2      ASN  63   4.416  -5.714   9.096
  511    H    MET  64           H        MET  64  -0.521  -5.544   5.949
  512    HA   MET  64           HA       MET  64  -0.005  -2.714   5.439
  513   1HB   MET  64          2HB       MET  64   0.153  -4.541   3.670
  514   2HB   MET  64          3HB       MET  64  -1.602  -4.633   3.752
  515   1HG   MET  64          2HG       MET  64  -1.684  -2.157   3.163
  516   2HG   MET  64          3HG       MET  64   0.066  -2.198   2.994
  517   1HE   MET  64          1HE       MET  64  -3.385  -3.372   1.709
  518   2HE   MET  64          2HE       MET  64  -2.997  -4.308   0.244
  519   3HE   MET  64          3HE       MET  64  -2.577  -4.954   1.847
  520    H    SER  65           H        SER  65  -2.958  -4.617   6.172
  521    HA   SER  65           HA       SER  65  -4.850  -2.532   5.716
  522   1HB   SER  65          2HB       SER  65  -5.333  -5.006   6.192
  523   2HB   SER  65          3HB       SER  65  -5.087  -4.632   7.902
  524    HG   SER  65           HG       SER  65  -7.096  -4.077   7.847
  525    H    GLU  66           H        GLU  66  -3.033  -3.325   8.735
  526    HA   GLU  66           HA       GLU  66  -4.095  -1.223  10.314
  527   1HB   GLU  66          2HB       GLU  66  -2.848  -3.168  11.164
  528   2HB   GLU  66          3HB       GLU  66  -1.342  -2.506  10.517
  529   1HG   GLU  66          2HG       GLU  66  -1.332  -0.681  12.016
  530   2HG   GLU  66          3HG       GLU  66  -3.069  -0.774  12.311
  531    H    TYR  67           H        TYR  67  -1.100  -1.241   8.332
  532    HA   TYR  67           HA       TYR  67  -0.377   1.480   8.685
  533   1HB   TYR  67          2HB       TYR  67   1.029  -0.198   7.510
  534   2HB   TYR  67          3HB       TYR  67  -0.123  -0.241   6.194
  535    HD1  TYR  67           HD1      TYR  67   0.814   0.716   4.246
  536    HD2  TYR  67           HD2      TYR  67   1.513   2.549   8.071
  537    HE1  TYR  67           HE1      TYR  67   2.144   2.506   3.147
  538    HE2  TYR  67           HE2      TYR  67   2.806   4.376   6.967
  539    HH   TYR  67           HH       TYR  67   3.794   4.096   3.651
  540    H    LEU  68           H        LEU  68  -2.702   0.079   6.323
  541    HA   LEU  68           HA       LEU  68  -3.427   2.699   5.278
  542   1HB   LEU  68          2HB       LEU  68  -4.804  -0.005   5.142
  543   2HB   LEU  68          3HB       LEU  68  -5.337   1.428   4.255
  544    HG   LEU  68           HG       LEU  68  -2.593   0.134   3.920
  545   1HD1  LEU  68          1HD1      LEU  68  -5.077  -0.014   2.176
  546   2HD1  LEU  68          2HD1      LEU  68  -3.481  -0.702   1.802
  547   3HD1  LEU  68          3HD1      LEU  68  -4.405  -1.335   3.167
  548   1HD2  LEU  68          1HD2      LEU  68  -2.549   2.511   3.309
  549   2HD2  LEU  68          2HD2      LEU  68  -2.462   1.498   1.885
  550   3HD2  LEU  68          3HD2      LEU  68  -3.999   2.296   2.292
  551    H    THR  69           H        THR  69  -4.437   1.002   8.156
  552    HA   THR  69           HA       THR  69  -6.753   2.704   8.633
  553    HB   THR  69           HB       THR  69  -5.276   0.711  10.250
  554    HG1  THR  69           1HG      THR  69  -7.255  -0.169  10.334
  555   1HG2  THR  69          1HG2      THR  69  -7.350   2.613  11.410
  556   2HG2  THR  69          2HG2      THR  69  -6.796   1.103  12.172
  557   3HG2  THR  69          3HG2      THR  69  -5.659   2.428  11.943
  558    H    ASN  70           H        ASN  70  -3.380   2.853   9.797
  559    HA   ASN  70           HA       ASN  70  -3.791   5.778  10.037
  560   1HB   ASN  70          2HB       ASN  70  -4.474   4.645  12.201
  561   2HB   ASN  70          3HB       ASN  70  -2.762   4.246  12.444
  562   1HD2  ASN  70          2HD2      ASN  70  -4.595   6.084  13.964
  563   2HD2  ASN  70          1HD2      ASN  70  -3.806   7.666  13.825
  564    HA   PRO  71           HA       PRO  71   0.171   4.322   8.260
  565   1HB   PRO  71          2HB       PRO  71   0.498   6.231   6.263
  566   2HB   PRO  71          3HB       PRO  71  -0.476   4.749   6.090
  567   1HG   PRO  71          2HG       PRO  71  -1.418   7.534   6.789
  568   2HG   PRO  71          3HG       PRO  71  -2.147   6.374   5.636
  569   1HD   PRO  71          2HD       PRO  71  -3.119   6.716   8.157
  570   2HD   PRO  71          3HD       PRO  71  -3.107   5.105   7.385
  571    H    LYS  72           H        LYS  72  -0.679   7.582   9.115
  572    HA   LYS  72           HA       LYS  72   2.099   8.459   9.393
  573   1HB   LYS  72          2HB       LYS  72  -0.002   9.775   8.551
  574   2HB   LYS  72          3HB       LYS  72  -0.289  10.116  10.256
  575   1HG   LYS  72          2HG       LYS  72   1.740  11.337  10.466
  576   2HG   LYS  72          3HG       LYS  72   2.464  10.601   9.041
  577   1HD   LYS  72          2HD       LYS  72   0.157  12.588   9.007
  578   2HD   LYS  72          3HD       LYS  72   1.844  12.975   8.678
  579   1HE   LYS  72          2HE       LYS  72   0.029  11.167   7.018
  580   2HE   LYS  72          3HE       LYS  72   0.574  12.780   6.583
  581   1HZ   LYS  72          1HZ       LYS  72   2.425  10.496   6.989
  582   2HZ   LYS  72          2HZ       LYS  72   1.843  10.925   5.536
  583   3HZ   LYS  72          3HZ       LYS  72   2.834  11.935   6.348
  584    H    LYS  73           H        LYS  73  -0.068   6.966  11.586
  585    HA   LYS  73           HA       LYS  73   1.743   7.709  13.851
  586   1HB   LYS  73          2HB       LYS  73  -0.920   7.623  13.863
  587   2HB   LYS  73          3HB       LYS  73  -0.648   5.931  14.264
  588   1HG   LYS  73          2HG       LYS  73   0.305   8.430  15.751
  589   2HG   LYS  73          3HG       LYS  73  -1.018   7.362  16.217
  590   1HD   LYS  73          2HD       LYS  73   0.699   5.499  16.486
  591   2HD   LYS  73          3HD       LYS  73   1.954   6.748  16.267
  592   1HE   LYS  73          2HE       LYS  73   1.015   8.039  18.159
  593   2HE   LYS  73          3HE       LYS  73  -0.214   6.789  18.404
  594   1HZ   LYS  73          1HZ       LYS  73   2.717   6.394  18.642
  595   2HZ   LYS  73          2HZ       LYS  73   1.656   6.457  19.898
  596   3HZ   LYS  73          3HZ       LYS  73   1.595   5.207  18.828
  597    H    TYR  74           H        TYR  74   0.822   4.822  11.899
  598    HA   TYR  74           HA       TYR  74   2.487   3.006  13.383
  599   1HB   TYR  74          2HB       TYR  74   0.617   2.546  11.687
  600   2HB   TYR  74          3HB       TYR  74   1.773   2.888  10.430
  601    HD1  TYR  74           HD1      TYR  74   2.144   0.862  13.650
  602    HD2  TYR  74           HD2      TYR  74   1.991   0.806   9.333
  603    HE1  TYR  74           HE1      TYR  74   2.665  -1.564  13.641
  604    HE2  TYR  74           HE2      TYR  74   2.434  -1.631   9.361
  605    HH   TYR  74           HH       TYR  74   2.639  -3.518  10.724
  606    H    ILE  75           H        ILE  75   3.103   5.156  10.706
  607    HA   ILE  75           HA       ILE  75   6.056   4.896  11.075
  608    HB   ILE  75           HB       ILE  75   4.670   5.457   8.438
  609   1HG1  ILE  75          2HG1      ILE  75   5.961   2.930   9.495
  610   2HG1  ILE  75          3HG1      ILE  75   4.248   3.133   9.087
  611   1HG2  ILE  75          1HG2      ILE  75   7.573   4.875   9.219
  612   2HG2  ILE  75          2HG2      ILE  75   7.004   5.154   7.561
  613   3HG2  ILE  75          3HG2      ILE  75   6.950   6.465   8.730
  614   1HD1  ILE  75          1HD1      ILE  75   6.596   2.837   7.246
  615   2HD1  ILE  75          2HD1      ILE  75   5.067   1.952   7.271
  616   3HD1  ILE  75          3HD1      ILE  75   5.108   3.627   6.677
  617    HA   PRO  76           HA       PRO  76   4.665   9.184  12.179
  618   1HB   PRO  76          2HB       PRO  76   6.529   9.674  14.117
  619   2HB   PRO  76          3HB       PRO  76   5.004   8.782  14.405
  620   1HG   PRO  76          2HG       PRO  76   7.760   7.642  13.868
  621   2HG   PRO  76          3HG       PRO  76   6.590   7.163  15.139
  622   1HD   PRO  76          2HD       PRO  76   6.835   5.789  12.811
  623   2HD   PRO  76          3HD       PRO  76   5.235   6.009  13.583
  624    H    GLY  77           H        GLY  77   5.173  10.304  10.442
  625   1HA   GLY  77          1HA       GLY  77   6.653  11.954   9.401
  626   2HA   GLY  77          2HA       GLY  77   8.042  10.985   9.854
  627    H    THR  78           H        THR  78   5.638   8.870   8.564
  628    HA   THR  78           HA       THR  78   7.004   8.418   6.121
  629    HB   THR  78           HB       THR  78   5.404   6.809   6.901
  630    HG1  THR  78           1HG      THR  78   4.698   6.298   4.918
  631   1HG2  THR  78          1HG2      THR  78   3.151   8.638   5.986
  632   2HG2  THR  78          2HG2      THR  78   3.022   7.014   6.673
  633   3HG2  THR  78          3HG2      THR  78   3.571   8.349   7.696
  634    H    LYS  79           H        LYS  79   7.042   9.249   4.215
  635    HA   LYS  79           HA       LYS  79   6.174  11.857   3.391
  636   1HB   LYS  79          2HB       LYS  79   7.001   9.338   1.927
  637   2HB   LYS  79          3HB       LYS  79   6.531  10.789   1.050
  638   1HG   LYS  79          2HG       LYS  79   8.421  12.002   1.643
  639   2HG   LYS  79          3HG       LYS  79   8.847  10.901   2.983
  640   1HD   LYS  79          2HD       LYS  79   9.375   9.130   1.529
  641   2HD   LYS  79          3HD       LYS  79   8.575   9.855   0.141
  642   1HE   LYS  79          2HE       LYS  79  10.350  11.412  -0.201
  643   2HE   LYS  79          3HE       LYS  79  11.164  10.917   1.307
  644   1HZ   LYS  79          1HZ       LYS  79  10.523   8.773  -0.550
  645   2HZ   LYS  79          2HZ       LYS  79  11.754   9.751  -1.041
  646   3HZ   LYS  79          3HZ       LYS  79  11.811   8.935   0.386
  647    H    MET  80           H        MET  80   4.419   8.802   3.435
  648    HA   MET  80           HA       MET  80   2.582   9.241   1.331
  649   1HB   MET  80          2HB       MET  80   3.055   7.091   2.320
  650   2HB   MET  80          3HB       MET  80   2.354   7.577   3.862
  651   1HG   MET  80          2HG       MET  80   0.220   7.484   3.097
  652   2HG   MET  80          3HG       MET  80   0.630   7.806   1.423
  653   1HE   MET  80          1HE       MET  80  -1.584   5.764   1.719
  654   2HE   MET  80          2HE       MET  80  -1.170   4.090   2.151
  655   3HE   MET  80          3HE       MET  80  -1.094   5.361   3.389
  656    H    ALA  81           H        ALA  81   1.741  11.271   1.233
  657    HA   ALA  81           HA       ALA  81   0.700  12.770   3.428
  658   1HB   ALA  81          1HB       ALA  81   0.428  13.221   0.431
  659   2HB   ALA  81          2HB       ALA  81   0.184  14.420   1.707
  660   3HB   ALA  81          3HB       ALA  81   1.800  13.738   1.440
  661    H    PHE  82           H        PHE  82  -0.620  10.654   3.871
  662    HA   PHE  82           HA       PHE  82  -3.458  10.966   3.089
  663   1HB   PHE  82          2HB       PHE  82  -2.204   9.495   1.488
  664   2HB   PHE  82          3HB       PHE  82  -1.695   8.495   2.834
  665    HD1  PHE  82           HD1      PHE  82  -4.769   9.729   1.056
  666    HD2  PHE  82           HD2      PHE  82  -2.956   6.605   3.403
  667    HE1  PHE  82           HE1      PHE  82  -6.707   8.254   0.609
  668    HE2  PHE  82           HE2      PHE  82  -4.840   5.096   2.865
  669    HZ   PHE  82           HZ       PHE  82  -6.734   5.926   1.486
  670    H    GLY  83           H        GLY  83  -4.791   9.446   4.388
  671   1HA   GLY  83          1HA       GLY  83  -3.781   8.848   7.144
  672   2HA   GLY  83          2HA       GLY  83  -5.145   9.928   6.909
  673    H    GLY  84           H        GLY  84  -5.233   7.379   4.592
  674   1HA   GLY  84          1HA       GLY  84  -6.132   5.207   4.714
  675   2HA   GLY  84          2HA       GLY  84  -6.609   5.495   6.386
  676    H    LEU  85           H        LEU  85  -8.408   4.227   5.026
  677    HA   LEU  85           HA       LEU  85 -10.395   6.154   3.943
  678   1HB   LEU  85          2HB       LEU  85 -10.246   3.111   3.790
  679   2HB   LEU  85          3HB       LEU  85 -11.434   4.134   3.003
  680    HG   LEU  85           HG       LEU  85  -8.461   3.992   2.380
  681   1HD1  LEU  85          1HD1      LEU  85 -10.927   3.417   0.681
  682   2HD1  LEU  85          2HD1      LEU  85  -9.220   3.245   0.183
  683   3HD1  LEU  85          3HD1      LEU  85  -9.886   2.197   1.434
  684   1HD2  LEU  85          1HD2      LEU  85  -9.090   6.336   2.141
  685   2HD2  LEU  85          2HD2      LEU  85  -8.955   5.610   0.549
  686   3HD2  LEU  85          3HD2      LEU  85 -10.569   5.893   1.268
  687    H    LYS  86           H        LYS  86  -9.773   5.428   6.807
  688    HA   LYS  86           HA       LYS  86 -10.577   4.644   8.836
  689   1HB   LYS  86          2HB       LYS  86 -13.017   6.091   7.768
  690   2HB   LYS  86          3HB       LYS  86 -12.909   5.427   9.407
  691   1HG   LYS  86          2HG       LYS  86 -10.882   6.753   9.855
  692   2HG   LYS  86          3HG       LYS  86 -10.940   7.439   8.221
  693   1HD   LYS  86          2HD       LYS  86 -13.073   8.528   8.702
  694   2HD   LYS  86          3HD       LYS  86 -13.135   7.765  10.311
  695   1HE   LYS  86          2HE       LYS  86 -11.039   8.901  10.957
  696   2HE   LYS  86          3HE       LYS  86 -10.914   9.635   9.354
  697   1HZ   LYS  86          1HZ       LYS  86 -13.129  10.121  11.269
  698   2HZ   LYS  86          2HZ       LYS  86 -11.880  11.154  10.985
  699   3HZ   LYS  86          3HZ       LYS  86 -12.967  10.832   9.796
  700    H    LYS  87           H        LYS  87 -13.163   3.913   6.616
  701    HA   LYS  87           HA       LYS  87 -14.290   1.501   7.588
  702   1HB   LYS  87          2HB       LYS  87 -13.609   2.400   4.793
  703   2HB   LYS  87          3HB       LYS  87 -14.643   1.015   5.163
  704   1HG   LYS  87          2HG       LYS  87 -16.417   2.515   5.968
  705   2HG   LYS  87          3HG       LYS  87 -15.357   3.941   5.678
  706   1HD   LYS  87          2HD       LYS  87 -15.009   3.234   3.364
  707   2HD   LYS  87          3HD       LYS  87 -15.999   1.783   3.631
  708   1HE   LYS  87          2HE       LYS  87 -18.003   3.164   3.708
  709   2HE   LYS  87          3HE       LYS  87 -17.007   4.614   3.414
  710   1HZ   LYS  87          1HZ       LYS  87 -16.974   2.201   1.667
  711   2HZ   LYS  87          2HZ       LYS  87 -17.832   3.583   1.281
  712   3HZ   LYS  87          3HZ       LYS  87 -16.161   3.487   1.377
  713    H    GLU  88           H        GLU  88 -12.771   0.049   8.445
  714    HA   GLU  88           HA       GLU  88 -10.677  -1.325   7.164
  715   1HB   GLU  88          2HB       GLU  88 -11.664  -1.588   9.467
  716   2HB   GLU  88          3HB       GLU  88 -12.987  -2.490   8.741
  717   1HG   GLU  88          2HG       GLU  88 -11.275  -4.164   7.882
  718   2HG   GLU  88          3HG       GLU  88 -10.042  -3.284   8.817
  719    H    LYS  89           H        LYS  89 -14.118  -1.555   6.528
  720    HA   LYS  89           HA       LYS  89 -14.236  -3.907   4.908
  721   1HB   LYS  89          2HB       LYS  89 -15.990  -1.440   4.870
  722   2HB   LYS  89          3HB       LYS  89 -16.434  -3.043   4.303
  723   1HG   LYS  89          2HG       LYS  89 -15.766  -2.345   7.216
  724   2HG   LYS  89          3HG       LYS  89 -17.333  -2.356   6.469
  725   1HD   LYS  89          2HD       LYS  89 -17.535  -4.570   6.907
  726   2HD   LYS  89          3HD       LYS  89 -16.166  -4.934   5.871
  727   1HE   LYS  89          2HE       LYS  89 -15.902  -4.145   8.814
  728   2HE   LYS  89          3HE       LYS  89 -16.058  -5.810   8.256
  729   1HZ   LYS  89          1HZ       LYS  89 -13.859  -4.022   7.440
  730   2HZ   LYS  89          2HZ       LYS  89 -13.735  -5.141   8.604
  731   3HZ   LYS  89          3HZ       LYS  89 -13.980  -5.591   7.036
  732    H    ASP  90           H        ASP  90 -14.097  -0.500   3.903
  733    HA   ASP  90           HA       ASP  90 -13.688  -0.912   1.097
  734   1HB   ASP  90          2HB       ASP  90 -12.977   1.247   3.066
  735   2HB   ASP  90          3HB       ASP  90 -12.125   1.213   1.573
  736    H    ARG  91           H        ARG  91 -11.337  -1.123   3.860
  737    HA   ARG  91           HA       ARG  91  -9.103  -1.783   2.113
  738   1HB   ARG  91          2HB       ARG  91  -9.242  -2.873   4.934
  739   2HB   ARG  91          3HB       ARG  91  -7.840  -2.473   3.966
  740   1HG   ARG  91          2HG       ARG  91  -8.383  -0.069   4.133
  741   2HG   ARG  91          3HG       ARG  91  -9.813  -0.470   5.097
  742   1HD   ARG  91          2HD       ARG  91  -8.195  -1.702   6.688
  743   2HD   ARG  91          3HD       ARG  91  -6.908  -0.782   5.904
  744    HE   ARG  91           HE       ARG  91  -8.279   0.173   8.024
  745   1HH1  ARG  91          1HH2      ARG  91  -7.689   1.390   4.979
  746   2HH1  ARG  91          2HH2      ARG  91  -7.280   2.830   5.770
  747   1HH2  ARG  91          1HH1      ARG  91  -9.205   2.075   8.476
  748   2HH2  ARG  91          2HH1      ARG  91  -8.855   3.435   7.432
  749    H    ASN  92           H        ASN  92 -11.601  -3.877   3.574
  750    HA   ASN  92           HA       ASN  92 -10.383  -6.359   2.833
  751   1HB   ASN  92          2HB       ASN  92 -13.348  -5.668   3.011
  752   2HB   ASN  92          3HB       ASN  92 -12.729  -7.265   2.733
  753   1HD2  ASN  92          2HD2      ASN  92 -10.812  -7.801   4.538
  754   2HD2  ASN  92          1HD2      ASN  92 -11.379  -7.381   6.165
  755    H    ASP  93           H        ASP  93 -12.654  -4.363   0.872
  756    HA   ASP  93           HA       ASP  93 -12.392  -5.914  -1.553
  757   1HB   ASP  93          2HB       ASP  93 -13.033  -3.002  -0.981
  758   2HB   ASP  93          3HB       ASP  93 -12.832  -3.587  -2.628
  759    H    LEU  94           H        LEU  94 -10.604  -2.978  -0.506
  760    HA   LEU  94           HA       LEU  94  -8.896  -2.727  -2.691
  761   1HB   LEU  94          2HB       LEU  94  -9.252  -1.243  -0.532
  762   2HB   LEU  94          3HB       LEU  94  -7.923  -2.195   0.119
  763    HG   LEU  94           HG       LEU  94  -6.749  -1.489  -2.202
  764   1HD1  LEU  94          1HD1      LEU  94  -8.771   0.744  -1.699
  765   2HD1  LEU  94          2HD1      LEU  94  -7.446   0.785  -2.866
  766   3HD1  LEU  94          3HD1      LEU  94  -8.776  -0.363  -3.095
  767   1HD2  LEU  94          1HD2      LEU  94  -5.901  -0.878   0.009
  768   2HD2  LEU  94          2HD2      LEU  94  -5.868   0.509  -1.089
  769   3HD2  LEU  94          3HD2      LEU  94  -7.135   0.404   0.150
  770    H    ILE  95           H        ILE  95  -8.339  -4.726   0.214
  771    HA   ILE  95           HA       ILE  95  -5.793  -5.822  -0.600
  772    HB   ILE  95           HB       ILE  95  -7.881  -6.622   1.453
  773   1HG1  ILE  95          2HG1      ILE  95  -5.030  -5.609   1.869
  774   2HG1  ILE  95          3HG1      ILE  95  -6.384  -4.501   1.691
  775   1HG2  ILE  95          1HG2      ILE  95  -5.154  -7.922   0.987
  776   2HG2  ILE  95          2HG2      ILE  95  -6.189  -8.202   2.397
  777   3HG2  ILE  95          3HG2      ILE  95  -6.736  -8.710   0.813
  778   1HD1  ILE  95          1HD1      ILE  95  -6.048  -6.543   3.917
  779   2HD1  ILE  95          2HD1      ILE  95  -5.951  -4.778   4.022
  780   3HD1  ILE  95          3HD1      ILE  95  -7.505  -5.553   3.663
  781    H    THR  96           H        THR  96  -9.167  -6.996  -0.933
  782    HA   THR  96           HA       THR  96  -8.499  -9.514  -2.111
  783    HB   THR  96           HB       THR  96 -10.981  -7.888  -2.810
  784    HG1  THR  96           1HG      THR  96 -10.736  -8.079  -0.563
  785   1HG2  THR  96          1HG2      THR  96 -10.459 -10.899  -2.649
  786   2HG2  THR  96          2HG2      THR  96 -12.023 -10.133  -3.000
  787   3HG2  THR  96          3HG2      THR  96 -10.683  -9.974  -4.145
  788    H    TYR  97           H        TYR  97  -8.686  -6.316  -3.541
  789    HA   TYR  97           HA       TYR  97  -7.932  -7.133  -6.260
  790   1HB   TYR  97          2HB       TYR  97  -9.063  -5.101  -6.064
  791   2HB   TYR  97          3HB       TYR  97  -8.118  -4.560  -4.706
  792    HD1  TYR  97           HD1      TYR  97  -6.191  -3.236  -4.949
  793    HD2  TYR  97           HD2      TYR  97  -7.902  -5.200  -8.382
  794    HE1  TYR  97           HE1      TYR  97  -4.762  -1.871  -6.449
  795    HE2  TYR  97           HE2      TYR  97  -6.579  -3.704  -9.889
  796    HH   TYR  97           HH       TYR  97  -4.263  -1.362  -8.604
  797    H    LEU  98           H        LEU  98  -5.999  -5.453  -3.667
  798    HA   LEU  98           HA       LEU  98  -3.664  -5.427  -5.217
  799   1HB   LEU  98          2HB       LEU  98  -4.552  -4.682  -2.524
  800   2HB   LEU  98          3HB       LEU  98  -2.965  -5.344  -2.450
  801    HG   LEU  98           HG       LEU  98  -3.665  -3.205  -4.497
  802   1HD1  LEU  98          1HD1      LEU  98  -2.683  -2.708  -1.663
  803   2HD1  LEU  98          2HD1      LEU  98  -2.897  -1.491  -2.939
  804   3HD1  LEU  98          3HD1      LEU  98  -4.311  -2.332  -2.285
  805   1HD2  LEU  98          1HD2      LEU  98  -1.474  -4.384  -4.745
  806   2HD2  LEU  98          2HD2      LEU  98  -1.274  -2.665  -4.374
  807   3HD2  LEU  98          3HD2      LEU  98  -1.034  -3.885  -3.101
  808    H    LYS  99           H        LYS  99  -4.774  -7.891  -2.917
  809    HA   LYS  99           HA       LYS  99  -2.339  -9.438  -2.943
  810   1HB   LYS  99          2HB       LYS  99  -4.322  -9.507  -1.300
  811   2HB   LYS  99          3HB       LYS  99  -5.116 -10.585  -2.449
  812   1HG   LYS  99          2HG       LYS  99  -2.283 -11.109  -1.459
  813   2HG   LYS  99          3HG       LYS  99  -3.660 -11.475  -0.431
  814   1HD   LYS  99          2HD       LYS  99  -4.509 -13.141  -1.880
  815   2HD   LYS  99          3HD       LYS  99  -3.444 -12.664  -3.221
  816   1HE   LYS  99          2HE       LYS  99  -1.465 -13.274  -1.964
  817   2HE   LYS  99          3HE       LYS  99  -2.431 -13.688  -0.535
  818   1HZ   LYS  99          1HZ       LYS  99  -2.866 -15.039  -3.159
  819   2HZ   LYS  99          2HZ       LYS  99  -1.680 -15.510  -2.266
  820   3HZ   LYS  99          3HZ       LYS  99  -3.232 -15.606  -1.644
  821    H    LYS 100           H        LYS 100  -5.095  -9.316  -5.131
  822    HA   LYS 100           HA       LYS 100  -4.088 -11.536  -6.793
  823   1HB   LYS 100          2HB       LYS 100  -6.627 -10.546  -6.245
  824   2HB   LYS 100          3HB       LYS 100  -6.376 -10.007  -7.879
  825   1HG   LYS 100          2HG       LYS 100  -5.756 -12.911  -7.166
  826   2HG   LYS 100          3HG       LYS 100  -7.413 -12.381  -7.226
  827   1HD   LYS 100          2HD       LYS 100  -7.117 -13.333  -9.279
  828   2HD   LYS 100          3HD       LYS 100  -7.089 -11.611  -9.592
  829   1HE   LYS 100          2HE       LYS 100  -5.516 -12.922 -10.989
  830   2HE   LYS 100          3HE       LYS 100  -4.718 -11.667 -10.067
  831   1HZ   LYS 100          1HZ       LYS 100  -4.686 -14.525  -9.220
  832   2HZ   LYS 100          2HZ       LYS 100  -3.430 -13.703  -9.939
  833   3HZ   LYS 100          3HZ       LYS 100  -3.868 -13.236  -8.562
  834    H    ALA 101           H        ALA 101  -3.341  -8.370  -6.505
  835    HA   ALA 101           HA       ALA 101  -2.578  -7.993  -9.360
  836   1HB   ALA 101          1HB       ALA 101  -1.959  -6.288  -6.911
  837   2HB   ALA 101          2HB       ALA 101  -1.597  -5.913  -8.592
  838   3HB   ALA 101          3HB       ALA 101  -3.296  -6.034  -8.066
  839    H    THR 102           H        THR 102  -1.059  -8.933  -6.318
  840    HA   THR 102           HA       THR 102   1.657  -8.898  -7.490
  841    HB   THR 102           HB       THR 102   1.313  -8.053  -5.233
  842    HG1  THR 102           1HG      THR 102   2.916 -10.269  -5.747
  843   1HG2  THR 102          1HG2      THR 102   0.623 -10.924  -4.466
  844   2HG2  THR 102          2HG2      THR 102   0.920  -9.581  -3.355
  845   3HG2  THR 102          3HG2      THR 102  -0.466  -9.520  -4.417
  846    H    GLU 103           H        GLU 103  -0.843 -11.269  -7.096
  847    HA   GLU 103           HA       GLU 103   0.668 -13.218  -8.604
  848   1HB   GLU 103          2HB       GLU 103  -0.292 -15.089  -7.210
  849   2HB   GLU 103          3HB       GLU 103   1.044 -14.236  -6.443
  850   1HG   GLU 103          2HG       GLU 103  -0.295 -13.284  -4.801
  851   2HG   GLU 103          3HG       GLU 103  -1.740 -13.296  -5.787
  852    HHA  HEC 104           HHA      HEC 104   5.220   3.385   0.729
  853    HHB  HEC 104           HHB      HEC 104  -0.471   0.478  -0.023
  854    HHC  HEC 104           HHC      HEC 104  -3.189   6.201  -1.431
  855    HHD  HEC 104           HHD      HEC 104   2.601   8.960  -1.249
  856   1HMA  HEC 104          1HMA      HEC 104   1.708  -0.989   1.692
  857   2HMA  HEC 104          2HMA      HEC 104   1.126  -1.082   0.013
  858   3HMA  HEC 104          3HMA      HEC 104   2.834  -1.324   0.359
  859   1HAA  HEC 104          1HAA      HEC 104   4.459  -0.246   1.585
  860   2HAA  HEC 104          2HAA      HEC 104   5.111   1.354   1.932
  861   1HBA  HEC 104          1HBA      HEC 104   5.955   1.451  -0.442
  862   2HBA  HEC 104          2HBA      HEC 104   5.327  -0.166  -0.697
  863   1HMB  HEC 104          1HMB      HEC 104  -3.759   0.711  -0.079
  864   2HMB  HEC 104          2HMB      HEC 104  -3.653   0.834  -1.849
  865   3HMB  HEC 104          3HMB      HEC 104  -2.354   0.091  -0.949
  866    HAB  HEC 104           HAB      HEC 104  -4.645   4.798  -1.446
  867   1HBB  HEC 104          1HBB      HEC 104  -5.090   3.978   0.766
  868   2HBB  HEC 104          2HBB      HEC 104  -6.454   3.686  -0.329
  869   3HBB  HEC 104          3HBB      HEC 104  -5.382   2.354   0.143
  870   1HMC  HEC 104          1HMC      HEC 104  -3.347   8.766  -1.291
  871   2HMC  HEC 104          2HMC      HEC 104  -2.546   9.773  -2.505
  872   3HMC  HEC 104          3HMC      HEC 104  -3.096   8.154  -2.937
  873    HAC  HEC 104           HAC      HEC 104   1.357  10.094  -2.422
  874   1HBC  HEC 104          1HBC      HEC 104   0.167  11.133  -0.573
  875   2HBC  HEC 104          2HBC      HEC 104   0.255  12.161  -2.018
  876   3HBC  HEC 104          3HBC      HEC 104  -1.262  11.342  -1.598
  877   1HMD  HEC 104          1HMD      HEC 104   5.102   9.026   0.630
  878   2HMD  HEC 104          2HMD      HEC 104   6.266   8.518  -0.590
  879   3HMD  HEC 104          3HMD      HEC 104   4.742   9.278  -1.063
  880   1HAD  HEC 104          1HAD      HEC 104   6.543   5.076   1.378
  881   2HAD  HEC 104          2HAD      HEC 104   6.534   6.828   1.459
  882   1HBD  HEC 104          1HBD      HEC 104   7.241   6.571  -1.136
  883   2HBD  HEC 104          2HBD      HEC 104   7.829   5.021  -0.569