*HEADER    METAL TRANSPORT                         09-JUN-04   1TL4              
*TITLE     SOLUTION STRUCTURE OF CU(I) HAH1                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: COPPER TRANSPORT PROTEIN ATOX1;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: METAL TRANSPORT PROTEIN ATX1;                               
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 GENE: ATOX1, HAH1;                                                   
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)PLYSS;                            
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET20B+                                   
*KEYWDS    COPPER PROTEIN, COPPER CHAPERONE, MENKES, WILSON                      
*EXPDTA    NMR, 30 STRUCTURES                                                    
*AUTHOR    I.ANASTASSOPOULOU, L.BANCI, I.BERTINI, F.CANTINI, E.KATSARI,          
*AUTHOR   2 A.ROSATO                                                             
*REVDAT   1   26-OCT-04 1TL4    0                                                
  2 PRO  
         HB2    43 GLU- QG      6.00                
         HB2    46 HIS  HN      6.60                
         HB2    67 LEU  QQD     8.47                
         HB3    67 LEU  QD1     7.60                
         HB3    67 LEU  QD2     7.60                
         QG     67 LEU  QD1     8.60                
         QG     67 LEU  QD2     8.60                
         HD2    45 GLU- HA      5.30                
         HD3    45 GLU- HA      6.10                
  3 LYS+ 
         HN      3 LYS+ HG2     6.60                
         HN      3 LYS+ HG3     6.60                
         HN      3 LYS+ QG      6.01                
         HN      4 HIS  HN      4.50                
         HN     43 GLU- QB      7.48                
         HN     43 GLU- QG      6.70                
         HA      4 HIS  HN      3.20                
         HA     42 ILE  HN      5.80                
         HA     43 GLU- HA      3.70                
         HA     43 GLU- QG      6.40                
         QB      4 HIS  HN      4.98                
         QB     43 GLU- HA      7.48                
         QB     68 GLU- HN      6.18                
         HG2     4 HIS  HN      6.60                
         HG2    43 GLU- HA      6.00                
         HG2    43 GLU- QG      6.40                
         HG3     4 HIS  HN      6.60                
         HG3    43 GLU- HA      6.00                
         HG3    43 GLU- QG      6.40                
         QG      4 HIS  HN      6.25                
         QG     43 GLU- HA      5.55                
         QG     43 GLU- QB      6.85                
         QG     43 GLU- QG      6.24                
         QE     43 GLU- QG      8.40                
  4 HIS  
         HN      4 HIS  HB2     3.80                
         HN      6 PHE  QD      8.50                
         HN     42 ILE  HN      4.60                
         HN     42 ILE  HB      5.80                
         HN     43 GLU- HA      4.70                
         HA      5 GLU- HN      3.40                
         HA     64 TYR  QE      8.00                
         HA     67 LEU  QQD     8.17                
         HB2     5 GLU- HN      4.90                
         HB2     6 PHE  QD      6.90                
         HB2    42 ILE  HB      5.40                
         HB2    51 LEU  HB2     5.10                
         HB2    51 LEU  QD1     5.90                
         HB2    52 LEU  QQD     7.97                
         HB2    64 TYR  QE      7.40                
         HB3     5 GLU- HN      3.90                
         HB3     6 PHE  QD      7.20                
         HB3    42 ILE  HB      5.80                
         HB3    51 LEU  QD1     6.20                
         HB3    64 TYR  QE      6.50                
  5 GLU- 
         HN      5 GLU- HB2     4.20                
         HN      5 GLU- HB3     3.70                
         HN      5 GLU- HG2     5.60                
         HN      5 GLU- HG3     5.60                
         HN      5 GLU- QG      5.14                
         HN      6 PHE  QD      8.60                
         HN     64 TYR  QE      7.90                
         HN     65 LEU  QD2     7.60                
         HN     66 GLY  HN      5.50                
         HA      6 PHE  HN      3.00                
         HA      6 PHE  QD      7.80                
         HA     40 VAL  HN      5.30                
         HA     41 CYS  HA      3.50                
         HA     41 CYS  HB2     6.60                
         HA     41 CYS  HB3     6.50                
         HA     42 ILE  HN      5.00                
         HA     42 ILE  QG2     7.60                
         HB2     6 PHE  HN      4.50                
         HB2    41 CYS  HA      5.00                
         HB2    41 CYS  HB2     6.50                
         HB2    41 CYS  HB3     6.40                
         HB2    65 LEU  QB      6.30                
         HB2    65 LEU  QD1     5.60                
         HB3     6 PHE  HN      4.10                
         HB3     6 PHE  HA      4.70                
         HB3     6 PHE  QD      8.60                
         HB3    65 LEU  HA      5.60                
         HB3    65 LEU  QB      5.90                
         HB3    65 LEU  QD1     6.10                
         HB3    65 LEU  QD2     5.80                
         HB3    66 GLY  HN      6.30                
         HG2     6 PHE  HN      6.60                
         HG3     6 PHE  HN      6.60                
         QG      6 PHE  HN      6.34                
         QG     41 CYS  HA      6.28                
         QG     41 CYS  HB2     6.78                
         QG     41 CYS  HB3     6.58                
  6 PHE  
         HN      6 PHE  HB2     3.60                
         HN      6 PHE  HB3     4.00                
         HN     39 LYS+ HA      5.80                
         HN     40 VAL  HN      3.30                
         HN     40 VAL  HB      5.40                
         HN     41 CYS  HA      4.40                
         HN     55 LEU  QQD     9.17                
         HN     65 LEU  QD2     7.00                
         HA      7 SER  HN      3.10                
         HA      7 SER  HB2     4.70                
         HA      7 SER  HB3     4.80                
         HA     40 VAL  QG2     6.90                
         HA     64 TYR  HA      4.00                
         HA     64 TYR  QD      8.60                
         HA     65 LEU  HN      3.90                
         HA     65 LEU  QB      7.20                
         HA     65 LEU  HG      5.10                
         HA     65 LEU  QD1     6.00                
         HA     65 LEU  QD2     7.40                
         HB2     7 SER  HN      4.60                
         HB2     8 VAL  QG2     4.70                
         HB2    40 VAL  HN      6.10                
         HB2    40 VAL  HB      4.80                
         HB2    55 LEU  QQD     7.97                
         HB2    62 VAL  QQG     9.16                
         HB3     7 SER  HN      3.70                
         HB3    40 VAL  HB      4.80                
         HB3    55 LEU  QQD     7.97                
         HB3    62 VAL  QG1     6.10                
         HB3    62 VAL  QG2     6.10                
         HB3    62 VAL  QQG     5.55                
         QD      7 SER  HN      8.60                
         QD     40 VAL  HB      8.60                
         QD     40 VAL  QG1     9.60                
         QD     42 ILE  HN      8.60                
         QD     42 ILE  HB      7.30                
         QD     42 ILE  QG2     9.60                
         QD     42 ILE  HG12    8.60                
         QD     42 ILE  QD1     8.00                
         QD     48 MET  HG3     8.60                
         QD     51 LEU  HN      8.60                
         QD     51 LEU  QD2     9.60                
         QD     52 LEU  HN      7.70                
         QD     52 LEU  HA      7.20                
         QD     52 LEU  HB2     7.20                
         QD     52 LEU  HB3     8.20                
         QD     52 LEU  QD1     8.70                
         QD     52 LEU  QD2     8.70                
         QD     52 LEU  QQD     8.02                
         QD     55 LEU  QQD     9.97                
         QD     62 VAL  QG1     9.60                
         QD     62 VAL  QG2     9.60                
         QD     62 VAL  QQG     8.61                
         QD     64 TYR  HN      8.60                
         QD     64 TYR  HA      7.00                
         QD     64 TYR  QB      8.80                
         QD     64 TYR  QD     10.60                
         QD     64 TYR  QE     10.60                
         QD     65 LEU  HN      8.60                
         QD     65 LEU  QD2     9.60                
         QE     42 ILE  HB      7.20                
         QE     42 ILE  QD1     9.60                
         QE     48 MET  HA      7.60                
         QE     48 MET  HG2     7.80                
         QE     51 LEU  HB3     7.30                
         QE     51 LEU  QD1     8.00                
         QE     52 LEU  HA      8.60                
         QE     52 LEU  QQD    11.17                
         QE     55 LEU  QQD    11.17                
         QE     64 TYR  QD     10.60                
         QE     64 TYR  QE     10.60                
  7 SER  
         HN      7 SER  HB2     3.60                
         HN      7 SER  HB3     3.60                
         HN      8 VAL  HN      5.10                
         HN      8 VAL  QG2     7.60                
         HN     62 VAL  QQG     8.36                
         HN     63 SER  HN      4.00                
         HN     63 SER  HA      5.50                
         HN     64 TYR  HA      5.10                
         HN     65 LEU  HN      6.60                
         HN     65 LEU  QB      7.60                
         HN     65 LEU  HG      4.80                
         HN     65 LEU  QD1     7.40                
         HN     65 LEU  QD2     6.00                
         HA      8 VAL  HN      3.00                
         HA      8 VAL  QG2     6.80                
         HA     39 LYS+ HN      6.60                
         HA     39 LYS+ HA      3.70                
         HA     39 LYS+ HB2     6.50                
         HA     39 LYS+ HB3     5.70                
         HA     39 LYS+ HG2     6.60                
         HA     39 LYS+ HG3     6.60                
         HA     40 VAL  HN      4.80                
         HA     65 LEU  QB      7.60                
         HA     65 LEU  QD1     6.30                
         HA     65 LEU  QD2     6.60                
         HB2     8 VAL  HN      4.20                
         HB2    39 LYS+ HA      6.30                
         HB2    63 SER  HN      5.50                
         HB2    65 LEU  QB      7.60                
         HB2    65 LEU  HG      5.10                
         HB2    65 LEU  QD1     4.90                
         HB2    65 LEU  QD2     5.30                
         HB3     8 VAL  HN      4.40                
         HB3    63 SER  HN      5.20                
         HB3    65 LEU  QB      6.60                
         HB3    65 LEU  HG      5.40                
         HB3    65 LEU  QD1     4.80                
         HB3    65 LEU  QD2     5.20                
  8 VAL  
         HN      8 VAL  HB      3.60                
         HN      8 VAL  QG2     4.30                
         HN      9 ASP- HN      4.70                
         HN     38 LYS+ HB2     5.40                
         HN     38 LYS+ HB3     5.40                
         HN     38 LYS+ QB      5.08                
         HN     39 LYS+ HA      4.10                
         HN     40 VAL  HN      5.40                
         HA      9 ASP- HN      3.30                
         HB      9 ASP- HN      4.30                
         HB     10 MET  HG2     4.70                
         HB     10 MET  HG3     4.70                
         HB     10 MET  QG      4.52                
         HB     38 LYS+ HA      4.40                
         HB     62 VAL  QQG     6.96                
         QG1     9 ASP- HN      5.80                
         QG1    10 MET  HN      6.90                
         QG1    10 MET  HG2     5.80                
         QG1    10 MET  HG3     5.80                
         QG1    39 LYS+ QG      8.48                
         QG1    40 VAL  QG2     7.60                
         QG1    55 LEU  QQD     7.87                
         QG1    60 LYS+ HN      7.60                
         QG1    60 LYS+ HB3     6.30                
         QG1    60 LYS+ HG3     6.70                
         QG1    62 VAL  HA      7.10                
         QG1    62 VAL  HB      5.40                
         QG1    62 VAL  QQG     7.76                
         QG2     9 ASP- HN      5.80                
         QG2    10 MET  QG      7.68                
         QG2    39 LYS+ HA      6.00                
         QG2    55 LEU  QD1     5.70                
         QG2    55 LEU  QD2     5.70                
         QG2    55 LEU  QQD     5.23                
         QG2    62 VAL  HA      6.80                
         QG2    63 SER  HN      6.30                
  9 ASP- 
         HN      9 ASP- HB2     3.40                
         HN      9 ASP- HB3     3.50                
         HN     10 MET  HN      4.30                
         HN     39 LYS+ HA      6.60                
         HN     60 LYS+ HB2     5.30                
         HN     60 LYS+ HB3     6.50                
         HN     60 LYS+ HG3     6.50                
         HN     61 THR  HN      5.40                
         HN     61 THR  HB      4.70                
         HN     61 THR  QG2     7.60                
         HN     62 VAL  HA      5.10                
         HN     62 VAL  QQG     9.16                
         HA     10 MET  HN      3.30                
         HA     38 LYS+ HB2     6.30                
         HA     38 LYS+ HB3     6.30                
         HA     38 LYS+ QB      6.04                
         HA     38 LYS+ QE      6.90                
         HB2    10 MET  HN      4.60                
         HB2    60 LYS+ HB2     5.90                
         HB2    60 LYS+ HB3     6.60                
         HB2    61 THR  HN      5.50                
         HB2    61 THR  HB      4.60                
         HB2    61 THR  QG2     7.00                
         HB3    61 THR  HN      4.80                
         HB3    61 THR  HB      4.80                
         HB3    61 THR  QG2     7.00                
 10 MET  
         HN     10 MET  HG2     4.50                
         HN     10 MET  HG3     4.50                
         HN     11 THR  QG2     7.60                
         HN     38 LYS+ HA      6.00                
         HN     38 LYS+ HB2     6.10                
         HN     38 LYS+ HB3     6.10                
         HN     38 LYS+ QB      5.42                
         HN     38 LYS+ QE      7.40                
         HA     11 THR  HN      3.50                
         HA     12 CYSS HN      6.00                
         HA     15 CYSS HB2     5.40                
         HA     15 CYSS HB3     4.80                
         QB     12 CYSS HN      7.20                
         QB     38 LYS+ QE      6.90                
         HG2    33 ILE  QG2     6.80                
         HG3    33 ILE  QG2     6.80                
         QG     16 ALA  HN      7.38                
         QG     19 VAL  QG2     7.58                
         QG     33 ILE  QG2     6.64                
         QG     38 LYS+ HA      6.78                
 11 THR  
         HN     11 THR  QG2     4.90                
         HN     12 CYSS HN      3.60                
         HN     15 CYSS HB2     5.10                
         HN     15 CYSS HB3     5.30                
         HB     12 CYSS HN      5.90                
         QG2    12 CYSS HN      7.60                
         QG2    38 LYS+ QE      8.60                
 12 CYSS 
         HN     15 CYSS HN      4.40                
         HN     15 CYSS HB2     4.30                
         HN     15 CYSS HB3     5.00                
         HN     35 LEU  QD1     7.20                
         HN     35 LEU  QD2     7.20                
         HN     35 LEU  QQD     6.63                
         HA     35 LEU  QQD     8.97                
         HB2    14 GLY  HN      6.00                
         HB3    14 GLY  HN      6.60                
 14 GLY  
         HN     15 CYSS HN      3.80                
         HA1    16 ALA  HN      5.50                
         HA1    35 LEU  QD1     9.34                
         HA1    35 LEU  QD2     9.34                
         HA2    16 ALA  HN      5.50                
         HA2    35 LEU  QD1     9.34                
         HA2    35 LEU  QD2     9.34                
         QA     16 ALA  HN      4.95                
         QA     35 LEU  QQD     7.28                
 15 CYSS 
         HN     15 CYSS HB2     3.70                
         HN     16 ALA  HN      3.50                
         HN     16 ALA  QB      5.70                
         HN     17 GLU- HN      4.60                
         HN     18 ALA  HN      4.70                
         HN     35 LEU  QQD     9.17                
         HA     18 ALA  HN      5.90                
         HA     18 ALA  QB      5.10                
         HA     60 LYS+ QE      5.88                
         HB2    16 ALA  HN      4.10                
         HB3    16 ALA  HN      4.70                
 16 ALA  
         HN     16 ALA  QB      3.40                
         HN     17 GLU- HN      3.60                
         HN     35 LEU  QD1     7.60                
         HN     35 LEU  QD2     7.60                
         HN     35 LEU  QQD     7.33                
         HA     17 GLU- HN      3.60                
         HA     18 ALA  HN      5.00                
         HA     19 VAL  HN      5.40                
         HA     19 VAL  HB      3.90                
         HA     19 VAL  QG1     5.50                
         HA     19 VAL  QG2     4.90                
         HA     33 ILE  QG2     5.90                
         HA     33 ILE  QD1     6.20                
         QB     17 GLU- HN      3.80                
         QB     18 ALA  HN      5.80                
         QB     19 VAL  HN      5.70                
         QB     19 VAL  HB      7.10                
         QB     33 ILE  QG2     5.40                
         QB     33 ILE  QD1     6.20                
 17 GLU- 
         HN     17 GLU- HB2     3.40                
         HN     17 GLU- HB3     3.60                
         HN     17 GLU- HG2     4.60                
         HN     17 GLU- HG3     4.20                
         HN     18 ALA  HN      3.50                
         HN     18 ALA  QB      5.80                
         HN     19 VAL  HN      5.90                
         HA     17 GLU- HG2     4.10                
         HA     17 GLU- HG3     4.10                
         HA     20 SER  HN      4.70                
         HB2    18 ALA  HN      4.20                
         HB3    18 ALA  HN      4.20                
         HG2    18 ALA  HN      6.60                
         HG3    18 ALA  HN      5.50                
 18 ALA  
         HN     18 ALA  QB      3.50                
         HN     19 VAL  HN      2.90                
         HA     21 ARG+ HN      4.10                
         HA     21 ARG+ HB2     4.30                
         HA     21 ARG+ HB3     4.30                
         HA     21 ARG+ QD      7.10                
         HA     22 VAL  HN      4.50                
         HA     58 THR  QG2     7.60                
         QB     19 VAL  HN      3.70                
         QB     19 VAL  HA      4.60                
         QB     19 VAL  QG2     7.10                
         QB     20 SER  HN      5.40                
         QB     58 THR  HA      6.10                
         QB     58 THR  HB      6.10                
         QB     58 THR  QG2     5.90                
 19 VAL  
         HN     19 VAL  HB      3.00                
         HN     19 VAL  QG1     4.30                
         HN     19 VAL  QG2     3.80                
         HN     20 SER  HN      3.40                
         HN     21 ARG+ QB      6.98                
         HN     58 THR  QG2     7.60                
         HA     19 VAL  QG1     3.40                
         HA     19 VAL  QG2     3.40                
         HA     21 ARG+ HN      6.60                
         HA     22 VAL  HN      4.90                
         HA     22 VAL  HB      5.20                
         HA     22 VAL  QG1     4.10                
         HA     23 LEU  HN      5.00                
         HA     40 VAL  QG1     7.30                
         HA     55 LEU  QQD     9.17                
         HA     58 THR  HA      5.90                
         HA     58 THR  QG2     4.90                
         HB     20 SER  HN      3.30                
         HB     20 SER  HA      6.60                
         HB     20 SER  QB      7.48                
         HB     23 LEU  QD1     7.60                
         HB     33 ILE  QD1     6.50                
         HB     40 VAL  QG1     6.40                
         QG1    20 SER  HN      5.40                
         QG1    20 SER  HA      5.80                
         QG1    22 VAL  HN      7.60                
         QG1    22 VAL  QG2     6.80                
         QG1    23 LEU  HN      7.10                
         QG1    23 LEU  HB2     6.80                
         QG1    23 LEU  HB3     5.60                
         QG1    23 LEU  HG      7.20                
         QG1    23 LEU  QD1     5.90                
         QG1    23 LEU  QD2     6.80                
         QG1    24 ASN  HN      7.60                
         QG1    31 TYR  QD      9.60                
         QG1    31 TYR  QE      9.60                
         QG1    33 ILE  HG12    4.40                
         QG1    33 ILE  HG13    7.60                
         QG1    33 ILE  QD1     6.00                
         QG1    55 LEU  QD1     6.80                
         QG1    55 LEU  QD2     6.80                
         QG1    55 LEU  QQD     5.72                
         QG1    58 THR  QG2     8.20                
         QG2    20 SER  HN      5.50                
         QG2    22 VAL  HN      7.60                
         QG2    23 LEU  QD1     6.80                
         QG2    58 THR  HB      6.70                
         QG2    58 THR  QG2     5.50                
 20 SER  
         HN     20 SER  HB2     3.50                
         HN     20 SER  HB3     3.50                
         HN     21 ARG+ HN      3.60                
         HN     21 ARG+ QB      7.48                
         HN     22 VAL  HN      4.90                
         HN     33 ILE  QD1     7.60                
         HA     23 LEU  HN      4.70                
         HA     23 LEU  HB2     4.20                
         HA     23 LEU  HB3     4.00                
         HA     23 LEU  HG      6.60                
         HA     23 LEU  QD1     5.80                
         HA     23 LEU  QD2     7.60                
         HA     24 ASN  HN      5.30                
         HA     31 TYR  QD      8.60                
         HA     31 TYR  QE      7.40                
         HA     33 ILE  QD1     5.30                
         HB2    21 ARG+ HN      3.50                
         HB2    31 TYR  QE      8.20                
         HB2    33 ILE  QD1     5.50                
         HB3    21 ARG+ HN      3.50                
         HB3    31 TYR  QE      8.20                
         HB3    33 ILE  QD1     5.50                
         QB     33 ILE  QG2     7.08                
         QB     33 ILE  QD1     5.33                
         QB     58 THR  QG2     8.48                
 21 ARG+ 
         HN     21 ARG+ HB2     3.20                
         HN     21 ARG+ HB3     3.20                
         HN     21 ARG+ QB      2.98                
         HN     21 ARG+ HG2     3.90                
         HN     21 ARG+ HG3     4.70                
         HN     21 ARG+ QD      6.70                
         HN     22 VAL  HN      3.60                
         HN     22 VAL  QG1     6.80                
         HN     23 LEU  HN      5.30                
         HA     21 ARG+ QB      2.75                
         HA     21 ARG+ HG2     4.00                
         HA     21 ARG+ HG3     3.40                
         HA     21 ARG+ QD      5.70                
         HA     24 ASN  HN      4.90                
         HA     24 ASN  HB2     3.80                
         HA     24 ASN  HB3     3.40                
         HA     24 ASN  HD21    6.50                
         HA     25 LYS+ HN      5.70                
         HB2    22 VAL  HN      4.50                
         HB3    22 VAL  HN      4.50                
         QB     22 VAL  QG1     7.88                
         HG2    22 VAL  HN      5.70                
         HG3    22 VAL  HN      6.50                
         HG3    22 VAL  HB      4.70                
 22 VAL  
         HN     22 VAL  HB      4.00                
         HN     22 VAL  QG1     3.90                
         HN     22 VAL  QG2     4.20                
         HN     23 LEU  HN      2.60                
         HN     23 LEU  HB2     5.40                
         HN     24 ASN  HN      6.30                
         HA     22 VAL  QG2     3.40                
         HA     24 ASN  HN      5.40                
         HA     25 LYS+ HN      4.80                
         HA     25 LYS+ HB2     4.10                
         HA     25 LYS+ HB3     4.20                
         HA     25 LYS+ QG      5.90                
         HA     25 LYS+ QD      6.20                
         HA     26 LEU  HN      6.00                
         HB     23 LEU  HN      4.70                
         HB     25 LYS+ HN      6.60                
         HB     55 LEU  QQD     8.37                
         HB     58 THR  QG2     6.10                
         QG1    23 LEU  HN      5.40                
         QG1    23 LEU  HG      4.60                
         QG1    23 LEU  QD2     7.30                
         QG1    24 ASN  HN      7.60                
         QG1    55 LEU  HA      4.60                
         QG1    55 LEU  HB2     5.80                
         QG1    55 LEU  QQD     6.87                
         QG1    58 THR  HN      7.60                
         QG1    58 THR  HA      6.50                
         QG1    58 THR  QG2     5.00                
         QG2    23 LEU  HN      6.00                
         QG2    23 LEU  QD1     8.60                
         QG2    25 LYS+ HN      6.20                
         QG2    58 THR  HN      7.60                
         QG2    58 THR  QG2     4.80                
 23 LEU  
         HN     23 LEU  HB2     3.20                
         HN     23 LEU  HB3     3.70                
         HN     23 LEU  HG      3.80                
         HN     23 LEU  QD1     5.30                
         HN     23 LEU  QD2     5.00                
         HN     24 ASN  HN      3.30                
         HN     55 LEU  QQD     9.17                
         HA     23 LEU  HB3     2.90                
         HA     23 LEU  HG      3.60                
         HA     23 LEU  QD1     4.80                
         HA     23 LEU  QD2     4.00                
         HA     26 LEU  HN      4.00                
         HA     26 LEU  HB2     3.80                
         HA     26 LEU  HB3     3.50                
         HA     26 LEU  QD1     5.90                
         HA     29 VAL  QG1     5.40                
         HA     54 THR  QG2     4.30                
         HA     55 LEU  HB2     6.20                
         HB2    23 LEU  QD1     3.50                
         HB2    23 LEU  QD2     3.70                
         HB2    24 ASN  HN      3.50                
         HB2    31 TYR  QD      8.60                
         HB2    31 TYR  QE      8.30                
         HB3    23 LEU  QD1     3.40                
         HB3    24 ASN  HN      4.10                
         HB3    31 TYR  QD      7.70                
         HB3    31 TYR  QE      8.00                
         HG     24 ASN  HN      6.00                
         HG     29 VAL  QG2     6.40                
         HG     55 LEU  QQD     7.77                
         QD1    24 ASN  HN      7.60                
         QD1    29 VAL  HB      6.50                
         QD1    29 VAL  QG1     6.00                
         QD1    29 VAL  QG2     5.00                
         QD1    31 TYR  HA      7.60                
         QD1    31 TYR  QB      6.70                
         QD1    31 TYR  QD      8.40                
         QD1    31 TYR  QE      9.50                
         QD1    33 ILE  QD1     8.60                
         QD1    40 VAL  QG1     7.10                
         QD1    42 ILE  QG2     7.60                
         QD1    42 ILE  HG12    6.90                
         QD1    42 ILE  HG13    6.80                
         QD1    42 ILE  QD1     6.70                
         QD1    51 LEU  QD1     6.10                
         QD1    51 LEU  QD2     8.00                
         QD1    55 LEU  HA      6.20                
         QD1    55 LEU  HB3     5.90                
         QD1    55 LEU  HG      4.50                
         QD1    55 LEU  QD1     6.60                
         QD1    55 LEU  QD2     6.60                
         QD1    55 LEU  QQD     6.11                
         QD2    24 ASN  HN      7.60                
         QD2    26 LEU  HB2     4.90                
         QD2    26 LEU  HB3     6.20                
         QD2    26 LEU  HG      3.70                
         QD2    29 VAL  HB      7.60                
         QD2    29 VAL  QG1     6.20                
         QD2    29 VAL  QG2     5.50                
         QD2    31 TYR  QD      9.60                
         QD2    31 TYR  QE      9.60                
         QD2    42 ILE  QG2     7.20                
         QD2    42 ILE  QD1     6.50                
         QD2    51 LEU  HA      7.00                
         QD2    51 LEU  QD1     4.40                
         QD2    51 LEU  QD2     5.30                
         QD2    54 THR  HA      7.60                
         QD2    54 THR  HB      6.90                
         QD2    54 THR  QG2     4.40                
         QD2    55 LEU  HN      7.60                
         QD2    55 LEU  HB3     6.90                
         QD2    55 LEU  HG      6.10                
         QD2    55 LEU  QQD     7.57                
 24 ASN  
         HN     24 ASN  HB2     3.60                
         HN     24 ASN  HB3     3.50                
         HN     25 LYS+ HN      3.60                
         HN     26 LEU  HN      5.50                
         HA     24 ASN  HD21    4.80                
         HA     26 LEU  HN      5.80                
         HA     27 GLY  HN      5.10                
         HA     29 VAL  QG2     6.30                
         HA     31 TYR  QE      8.60                
         HB2    25 LYS+ HN      4.10                
         HB2    29 VAL  QG2     7.60                
         HB3    25 LYS+ HN      4.10                
         HB3    25 LYS+ HA      4.70                
         HB3    25 LYS+ HB2     6.60                
         HD21   29 VAL  QG1     7.60                
         HD22   25 LYS+ HN      5.30                
 25 LYS+ 
         HN     25 LYS+ HB2     3.10                
         HN     25 LYS+ HB3     3.30                
         HN     25 LYS+ QG      4.90                
         HN     25 LYS+ QD      6.10                
         HN     26 LEU  HN      3.30                
         HN     27 GLY  HN      5.80                
         HA     25 LYS+ QD      5.40                
         HB2    26 LEU  HN      3.60                
         HB3    26 LEU  HN      3.30                
 26 LEU  
         HN     26 LEU  HB2     3.10                
         HN     26 LEU  HB3     3.20                
         HN     26 LEU  HG      4.60                
         HN     26 LEU  QD1     5.10                
         HN     26 LEU  QD2     5.20                
         HN     27 GLY  HN      3.50                
         HN     29 VAL  QG2     6.10                
         HA     26 LEU  QD1     4.10                
         HA     26 LEU  QD2     3.40                
         HA     54 THR  QG2     6.00                
         HB2    27 GLY  HN      4.10                
         HB2    29 VAL  QG2     5.70                
         HB2    54 THR  QG2     4.60                
         HB3    27 GLY  HN      3.50                
         HB3    27 GLY  HA1     5.30                
         HG     27 GLY  HN      5.90                
         HG     46 HIS  HD2     5.60                
         HG     46 HIS  HE1     5.20                
         HG     50 THR  HB      5.70                
         QD1    27 GLY  HN      6.90                
         QD1    29 VAL  QG1     5.50                
         QD1    29 VAL  QG2     4.70                
         QD1    46 HIS  QB      8.30                
         QD1    46 HIS  HD2     5.60                
         QD1    51 LEU  HA      6.20                
         QD1    51 LEU  QD2     5.50                
         QD1    54 THR  QG2     6.40                
         QD2    27 GLY  HN      6.30                
         QD2    29 VAL  QG1     5.00                
         QD2    46 HIS  HD2     7.50                
         QD2    46 HIS  HE1     7.10                
         QD2    51 LEU  HA      6.20                
 27 GLY  
         HN     28 GLY  HN      6.60                
         HN     29 VAL  QG2     6.50                
         HA1    29 VAL  QG2     6.40                
         HA2    29 VAL  HN      4.40                
         HA2    29 VAL  QG2     7.30                
 28 GLY  
         HN     29 VAL  HN      4.30                
         QA     29 VAL  QG2     8.20                
 29 VAL  
         HN     29 VAL  HB      4.10                
         HN     29 VAL  QG1     4.30                
         HN     29 VAL  QG2     3.70                
         HN     30 LYS+ HN      5.70                
         HA     30 LYS+ HN      2.90                
         HA     44 SER  HB2     5.10                
         HA     44 SER  HB3     5.00                
         HA     46 HIS  HD2     6.60                
         HB     30 LYS+ HN      3.50                
         HB     31 TYR  HA      6.60                
         HB     31 TYR  QD      7.20                
         HB     31 TYR  QE      8.60                
         HB     42 ILE  QD1     6.30                
         HB     44 SER  HB2     5.90                
         HB     44 SER  HB3     5.80                
         QG1    30 LYS+ HN      5.70                
         QG1    30 LYS+ QE      8.60                
         QG1    31 TYR  QD      9.30                
         QG1    31 TYR  QE      9.60                
         QG1    44 SER  HB3     5.70                
         QG1    46 HIS  HN      7.60                
         QG1    46 HIS  HD2     4.70                
         QG1    46 HIS  HE1     7.60                
         QG1    51 LEU  QD2     6.50                
         QG2    30 LYS+ HN      7.00                
         QG2    31 TYR  HN      7.60                
         QG2    31 TYR  QD      7.70                
         QG2    31 TYR  QE      8.20                
         QG2    44 SER  HB3     7.60                
         QG2    46 HIS  HD2     6.70                
 30 LYS+ 
         HN     30 LYS+ HB2     3.80                
         HN     30 LYS+ HB3     3.80                
         HN     30 LYS+ HG2     5.10                
         HN     30 LYS+ HG3     5.10                
         HN     30 LYS+ QG      4.92                
         HN     30 LYS+ QD      6.90                
         HN     31 TYR  HN      5.10                
         HN     31 TYR  QD      8.60                
         HN     42 ILE  HA      4.60                
         HN     42 ILE  QG2     7.10                
         HN     43 GLU- HN      4.60                
         HN     44 SER  HB2     6.00                
         HN     44 SER  HB3     6.50                
         HA     31 TYR  HN      3.10                
         HA     31 TYR  QD      8.00                
         HA     31 TYR  QE      8.60                
         HB2    31 TYR  HN      5.00                
         HB2    43 GLU- HN      6.60                
         HB2    43 GLU- HB2     6.55                
         HB2    43 GLU- HB3     6.55                
         HB3    31 TYR  HN      5.00                
         HB3    43 GLU- HN      6.60                
         HB3    43 GLU- HB2     6.55                
         HB3    43 GLU- HB3     6.55                
         QB     31 TYR  HN      4.63                
         QB     43 GLU- QB      5.56                
         HG2    31 TYR  HN      6.60                
         HG3    31 TYR  HN      6.60                
         QG     31 TYR  HN      6.10                
         QD     31 TYR  HN      7.60                
         QD     33 ILE  QD1     7.30                
         QE     33 ILE  QD1     7.70                
 31 TYR  
         HN     31 TYR  QE      7.60                
         HN     32 ASP- HN      4.80                
         HN     42 ILE  HA      5.80                
         HA     32 ASP- HN      3.00                
         HA     40 VAL  QG1     7.00                
         HA     42 ILE  HA      3.60                
         HA     42 ILE  QG2     7.60                
         HA     42 ILE  HG12    5.90                
         HA     42 ILE  HG13    5.20                
         HA     43 GLU- HN      4.40                
         QB     33 ILE  QG2     8.60                
         QB     33 ILE  HG12    6.50                
         QB     40 VAL  QG1     8.30                
         QB     42 ILE  HA      6.20                
         QB     42 ILE  QG2     7.90                
         QB     42 ILE  HG12    6.20                
         QB     42 ILE  HG13    5.60                
         QB     42 ILE  QD1     8.60                
         QB     43 GLU- HN      7.40                
         QD     32 ASP- HN      8.20                
         QD     32 ASP- HA      8.60                
         QD     33 ILE  HN      8.60                
         QD     33 ILE  HB      8.60                
         QD     33 ILE  QG2     9.60                
         QD     33 ILE  HG12    7.30                
         QD     33 ILE  HG13    6.70                
         QD     33 ILE  QD1     8.80                
         QD     40 VAL  QG1     9.60                
         QD     42 ILE  HA      8.60                
         QD     42 ILE  QG2     9.60                
         QE     33 ILE  HG13    8.00                
         QE     33 ILE  QD1     8.20                
 32 ASP- 
         HN     32 ASP- HB2     3.70                
         HN     32 ASP- HB3     3.60                
         HN     33 ILE  HN      5.00                
         HN     40 VAL  QG1     6.50                
         HN     40 VAL  QG2     7.10                
         HN     41 CYS  HB2     6.40                
         HN     41 CYS  HB3     6.10                
         HN     42 ILE  QG2     7.50                
         HA     33 ILE  HN      3.00                
         HA     33 ILE  HB      5.20                
         HA     33 ILE  HG13    6.00                
         HA     33 ILE  QD1     7.20                
         HB2    33 ILE  HN      4.80                
         HB2    41 CYS  HB2     5.00                
         HB2    41 CYS  HB3     5.10                
         HB3    33 ILE  HN      4.30                
         HB3    41 CYS  HN      6.00                
         HB3    41 CYS  HB2     5.30                
         HB3    41 CYS  HB3     5.30                
 33 ILE  
         HN     33 ILE  HB      3.60                
         HN     33 ILE  QG2     4.40                
         HN     33 ILE  HG12    4.70                
         HN     33 ILE  HG13    4.10                
         HN     33 ILE  QD1     5.40                
         HA     33 ILE  HG12    3.80                
         HA     34 ASP- HN      3.00                
         HA     40 VAL  HA      3.70                
         HA     41 CYS  HN      5.70                
         HB     34 ASP- HN      4.50                
         QG2    33 ILE  QD1     4.40                
         QG2    34 ASP- HN      5.80                
         QG2    35 LEU  HN      6.90                
         QG2    38 LYS+ HA      7.20                
         QG2    40 VAL  HA      6.60                
         HG12   34 ASP- HN      5.50                
         HG12   39 LYS+ HN      6.60                
         HG13   34 ASP- HN      5.10                
         QD1    34 ASP- HN      7.60                
 34 ASP- 
         HN     34 ASP- HB2     3.50                
         HN     34 ASP- HB3     3.70                
         HN     35 LEU  HN      4.80                
         HN     39 LYS+ HN      4.60                
         HN     39 LYS+ HB2     6.60                
         HN     39 LYS+ HB3     6.60                
         HN     40 VAL  HA      4.70                
         HN     40 VAL  HB      6.20                
         HN     40 VAL  QG1     6.90                
         HA     35 LEU  HN      2.90                
         HA     36 PRO  HD2     4.80                
         HA     36 PRO  HD3     5.60                
         HA     39 LYS+ HN      5.90                
         HA     39 LYS+ QD      7.40                
         HB2    35 LEU  HN      5.10                
         HB2    37 ASN  QB      6.98                
         HB2    39 LYS+ HN      4.80                
         HB2    39 LYS+ HB2     5.40                
         HB2    39 LYS+ HB3     5.40                
         HB3    35 LEU  HN      4.30                
         HB3    39 LYS+ HN      5.50                
         HB3    39 LYS+ HB2     5.70                
         HB3    39 LYS+ HB3     5.90                
         HB3    39 LYS+ HG2     6.60                
         HB3    39 LYS+ HG3     6.60                
         HB3    39 LYS+ QG      5.79                
 35 LEU  
         HN     35 LEU  HB2     3.20                
         HN     35 LEU  HB3     3.60                
         HN     35 LEU  HG      4.10                
         HN     35 LEU  QD1     5.10                
         HN     35 LEU  QD2     5.10                
         HN     35 LEU  QQD     4.75                
         HN     36 PRO  QG      7.48                
         HN     36 PRO  HD2     4.50                
         HN     36 PRO  HD3     4.40                
         HN     37 ASN  HN      6.00                
         HA     37 ASN  HN      4.40                
         HA     38 LYS+ HN      4.10                
         HA     38 LYS+ HA      4.40                
         HA     39 LYS+ HN      6.00                
         HB2    36 PRO  HD3     4.20                
         HB3    36 PRO  HA      4.50                
         HB3    36 PRO  HD2     5.00                
         HB3    36 PRO  HD3     4.40                
         HB3    37 ASN  HN      5.10                
         QQD    36 PRO  HA      9.17                
         QQD    36 PRO  HD2     8.97                
         QQD    36 PRO  HD3     8.17                
         QQD    37 ASN  HN      9.17                
         QQD    39 LYS+ HN      9.17                
 36 PRO  
         HB2    37 ASN  HN      4.30                
         HB2    37 ASN  HD21    6.25                
         HB2    37 ASN  HD22    6.25                
         HB3    37 ASN  HN      4.30                
         HB3    37 ASN  HD21    6.25                
         HB3    37 ASN  HD22    6.25                
         QB     37 ASN  HN      4.11                
         QB     37 ASN  QD2     5.42                
         HG2    37 ASN  HN      5.80                
         HG3    37 ASN  HN      5.80                
         HD2    37 ASN  HN      5.00                
         HD3    37 ASN  HN      5.00                
 37 ASN  
         HN     37 ASN  HB2     3.80                
         HN     37 ASN  HB3     3.80                
         HN     37 ASN  QB      3.55                
         HN     37 ASN  HD21    5.30                
         HN     37 ASN  HD22    5.30                
         HN     37 ASN  QD2     4.84                
         HN     38 LYS+ HN      3.30                
         HN     39 LYS+ HN      5.50                
         HB2    38 LYS+ HN      5.40                
         HB2    39 LYS+ HN      5.40                
         HB2    39 LYS+ HB2     5.80                
         HB2    39 LYS+ HB3     5.70                
         HB2    39 LYS+ HG2     6.60                
         HB2    39 LYS+ HG3     6.60                
         HB3    38 LYS+ HN      5.40                
         HB3    39 LYS+ HN      5.40                
         HB3    39 LYS+ HB2     5.80                
         HB3    39 LYS+ HB3     5.70                
         HB3    39 LYS+ HG2     6.60                
         HB3    39 LYS+ HG3     6.60                
         QB     39 LYS+ HN      5.23                
         QB     39 LYS+ HB2     5.49                
         QB     39 LYS+ HB3     5.24                
         QB     39 LYS+ QG      5.65                
         QB     39 LYS+ QD      6.88                
 38 LYS+ 
         HN     38 LYS+ QB      3.72                
         HN     38 LYS+ QG      5.50                
         HN     38 LYS+ QE      7.30                
         HN     39 LYS+ HN      3.80                
         HA     39 LYS+ HN      3.40                
         HB2    38 LYS+ QE      6.30                
         HB2    39 LYS+ HN      4.90                
         HB3    38 LYS+ QE      6.30                
         HB3    39 LYS+ HN      4.90                
         QB     38 LYS+ QE      5.94                
         QB     39 LYS+ HN      4.62                
         QB     39 LYS+ HA      5.48                
 39 LYS+ 
         HN     39 LYS+ HB2     3.70                
         HN     39 LYS+ HB3     3.70                
         HN     39 LYS+ HG2     5.40                
         HN     39 LYS+ HG3     5.40                
         HN     39 LYS+ QG      5.08                
         HN     39 LYS+ QD      6.10                
         HN     40 VAL  HN      5.00                
         HA     39 LYS+ QD      6.00                
         HA     40 VAL  HN      2.90                
         HA     40 VAL  HB      5.60                
         HA     40 VAL  QG2     7.60                
         HA     65 LEU  QD1     7.60                
         HB2    40 VAL  HN      4.40                
         HB2    65 LEU  QD1     7.60                
         HB3    40 VAL  HN      4.10                
         HG2    40 VAL  HN      5.90                
         HG3    40 VAL  HN      5.90                
         QD     40 VAL  HN      7.20                
         QD     65 LEU  QD2     7.40                
 40 VAL  
         HN     40 VAL  HB      3.70                
         HN     40 VAL  QG1     4.60                
         HN     40 VAL  QG2     4.50                
         HA     41 CYS  HN      3.00                
         HB     41 CYS  HN      4.80                
         HB     55 LEU  QQD     8.97                
         QG1    41 CYS  HN      5.60                
         QG1    41 CYS  HA      6.10                
         QG1    41 CYS  HB3     7.60                
         QG1    55 LEU  QQD     6.87                
         QG2    41 CYS  HN      5.90                
 41 CYS  
         HN     41 CYS  HB2     3.50                
         HN     41 CYS  HB3     3.70                
         HN     42 ILE  HN      5.90                
         HA     42 ILE  HN      3.10                
         HA     42 ILE  HA      4.30                
         HB2    42 ILE  HN      4.60                
         HB2    42 ILE  HA      5.00                
         HB3    42 ILE  HN      4.50                
         HB3    42 ILE  HA      5.00                
 42 ILE  
         HN     42 ILE  HB      3.60                
         HN     42 ILE  HG12    4.20                
         HN     42 ILE  HG13    4.70                
         HN     42 ILE  QD1     5.50                
         HA     42 ILE  HG13    3.70                
         HA     43 GLU- HN      3.10                
         HB     43 GLU- HN      4.30                
         QG2    42 ILE  QD1     4.40                
         QG2    43 GLU- HN      5.30                
         QG2    43 GLU- HA      7.60                
         QG2    44 SER  HB2     5.10                
         QG2    44 SER  HB3     4.80                
         QG2    51 LEU  QD2     5.80                
         HG13   43 GLU- HN      6.20                
         HG13   51 LEU  QD1     4.20                
         HG13   55 LEU  QQD     7.97                
         QD1    43 GLU- HN      7.60                
         QD1    55 LEU  HB3     5.30                
         QD1    55 LEU  QD1     6.80                
         QD1    55 LEU  QD2     6.80                
 43 GLU- 
         HN     43 GLU- HB2     3.80                
         HN     43 GLU- HB3     3.80                
         HN     43 GLU- QG      5.80                
         HN     44 SER  HN      5.50                
         HA     44 SER  HN      3.00                
         QG     44 SER  HN      6.20                
 44 SER  
         HN     45 GLU- HN      4.80                
         HN     46 HIS  HN      5.70                
         HB2    46 HIS  HN      4.80                
         HB2    46 HIS  HD2     5.50                
         HB2    51 LEU  QD1     5.80                
         HB2    51 LEU  QD2     6.70                
         HB3    45 GLU- HN      6.60                
         HB3    46 HIS  HN      4.40                
         HB3    46 HIS  HD2     5.00                
         HB3    51 LEU  QD1     6.50                
         HB3    51 LEU  QD2     7.50                
 45 GLU- 
         HN     45 GLU- QG      6.68                
         HN     46 HIS  HN      4.20                
         HA     45 GLU- HG2     4.10                
         HA     45 GLU- HG3     4.10                
         HA     45 GLU- QG      3.76                
         QG     46 HIS  HN      6.98                
 46 HIS  
         HN     46 HIS  HD2     5.20                
         HN     51 LEU  QD2     7.60                
         HA     46 HIS  HD2     6.20                
         HA     47 SER  HN      3.10                
         QB     47 SER  HN      4.90                
         QB     50 THR  HN      7.60                
         QB     50 THR  HB      5.90                
         QB     50 THR  QG2     7.40                
         QB     51 LEU  HN      7.60                
         QB     51 LEU  HG      6.40                
         QB     51 LEU  QD1     8.10                
         QB     51 LEU  QD2     7.40                
         HD2    50 THR  QG2     7.60                
         HD2    51 LEU  QD2     5.60                
         HE1    50 THR  QG2     7.40                
 47 SER  
         HN     47 SER  HB2     3.60                
         HN     47 SER  HB3     3.90                
         HN     49 ASP- HN      6.10                
         HN     50 THR  HN      5.90                
         HN     50 THR  HB      4.50                
         HN     50 THR  QG2     7.60                
         HN     51 LEU  HG      6.60                
         HA     47 SER  HB2     2.60                
         HA     48 MET  HN      3.40                
         HA     48 MET  HA      5.70                
         HA     48 MET  QB      7.00                
         HA     49 ASP- HN      4.10                
         HA     51 LEU  HG      5.70                
         HB2    48 MET  HN      4.80                
         HB2    49 ASP- HN      4.90                
         HB2    49 ASP- QB      7.60                
         HB2    50 THR  HN      5.90                
         HB3    48 MET  HN      3.90                
         HB3    49 ASP- HN      4.40                
         HB3    49 ASP- QB      7.40                
         HB3    50 THR  HN      5.40                
 48 MET  
         HN     48 MET  HG2     4.00                
         HN     48 MET  HG3     5.60                
         HN     49 ASP- HN      4.00                
         HN     51 LEU  QD1     7.60                
         HA     48 MET  HG2     3.60                
         HA     51 LEU  HN      4.70                
         HA     51 LEU  HB2     4.20                
         HA     51 LEU  HB3     5.60                
         HA     51 LEU  QD1     5.50                
         HA     52 LEU  HN      6.50                
         QB     52 LEU  HN      6.00                
         QB     55 LEU  QQD     9.77                
         HG2    49 ASP- HN      4.30                
         HG2    64 TYR  QD      8.60                
         HG2    64 TYR  QE      8.60                
         HG3    49 ASP- HN      6.20                
         HG3    64 TYR  QD      8.60                
         HG3    64 TYR  QE      8.60                
 49 ASP- 
         HN     50 THR  HN      3.60                
         HA     52 LEU  HN      4.50                
         HA     52 LEU  HB2     3.90                
         HA     52 LEU  HB3     4.00                
         HA     52 LEU  QD1     7.50                
         HA     52 LEU  QD2     7.50                
         HA     52 LEU  QQD     6.75                
         HA     53 ALA  HN      4.40                
         QB     50 THR  HA      6.80                
 50 THR  
         HN     50 THR  HB      3.10                
         HN     50 THR  QG2     4.50                
         HN     52 LEU  HN      4.90                
         HA     52 LEU  HN      5.90                
         HB     51 LEU  HN      3.50                
         QG2    51 LEU  HN      6.00                
 51 LEU  
         HN     51 LEU  HB2     3.40                
         HN     51 LEU  HG      3.40                
         HN     51 LEU  QD1     5.20                
         HN     51 LEU  QD2     4.70                
         HN     52 LEU  HN      3.60                
         HN     54 THR  HN      4.90                
         HA     51 LEU  HG      4.00                
         HA     51 LEU  QD1     4.30                
         HA     51 LEU  QD2     3.60                
         HA     54 THR  HN      4.70                
         HA     54 THR  HB      3.90                
         HA     54 THR  QG2     5.80                
         HA     55 LEU  HN      5.20                
         HB2    51 LEU  QD1     3.60                
         HB2    52 LEU  HN      3.70                
         HB2    55 LEU  QQD     9.17                
         HB3    52 LEU  HN      4.70                
         HB3    52 LEU  HA      4.20                
         HB3    55 LEU  HB2     4.80                
         HB3    55 LEU  HG      5.10                
         HB3    55 LEU  QQD     9.17                
         HG     52 LEU  HN      4.50                
         QD1    52 LEU  HN      6.00                
         QD1    55 LEU  QD1     7.30                
         QD1    55 LEU  QD2     7.30                
         QD1    55 LEU  QQD     6.31                
         QD2    52 LEU  HN      7.60                
         QD2    54 THR  HB      7.60                
         QD2    55 LEU  QQD    10.07                
 52 LEU  
         HN     52 LEU  HB2     3.50                
         HN     52 LEU  HB3     3.50                
         HN     52 LEU  HG      5.80                
         HN     52 LEU  QD1     5.10                
         HN     52 LEU  QD2     5.10                
         HN     52 LEU  QQD     4.65                
         HN     53 ALA  HN      3.50                
         HN     54 THR  HN      6.40                
         HA     52 LEU  QD1     4.30                
         HA     52 LEU  QD2     4.30                
         HA     52 LEU  QQD     3.69                
         HA     55 LEU  HN      5.00                
         HA     55 LEU  HB2     4.20                
         HA     55 LEU  HB3     5.10                
         HA     55 LEU  HG      6.60                
         HA     55 LEU  QQD     7.47                
         HA     56 LYS+ HN      5.90                
         HB2    53 ALA  HN      3.80                
         HB3    53 ALA  HN      3.40                
         HB3    54 THR  HN      5.10                
         HB3    55 LEU  HN      5.20                
         HG     53 ALA  HN      6.30                
         QD1    53 ALA  HN      7.60                
         QD1    64 TYR  HN      7.60                
         QD2    53 ALA  HN      7.60                
         QD2    64 TYR  HN      7.60                
         QQD    53 ALA  HN      7.23                
         QQD    53 ALA  HA      8.47                
         QQD    53 ALA  QB      8.97                
         QQD    55 LEU  QQD    11.34                
         QQD    63 SER  HA      7.77                
         QQD    64 TYR  HN      7.09                
         QQD    64 TYR  HA      8.37                
         QQD    64 TYR  QB      8.67                
         QQD    64 TYR  QD     11.17                
 53 ALA  
         HN     53 ALA  QB      3.40                
         HN     54 THR  HN      3.50                
         HN     55 LEU  HN      5.00                
         HA     56 LYS+ HN      4.40                
         HA     56 LYS+ HB2     3.50                
         HA     56 LYS+ HB3     4.10                
         HA     56 LYS+ HG2     4.40                
         QB     54 THR  HN      3.70                
         QB     57 LYS+ QE      8.60                
 54 THR  
         HN     54 THR  HB      3.30                
         HN     54 THR  QG2     4.40                
         HN     55 LEU  HN      3.60                
         HN     55 LEU  HB2     5.00                
         HA     54 THR  QG2     3.80                
         HA     57 LYS+ HN      5.10                
         HA     57 LYS+ HB2     5.20                
         HA     57 LYS+ HG2     5.00                
         HA     57 LYS+ HG3     4.70                
         HA     57 LYS+ QD      6.00                
         HA     57 LYS+ QE      6.70                
         HB     55 LEU  HN      3.40                
         QG2    55 LEU  HN      6.50                
         QG2    55 LEU  QD1     8.30                
         QG2    55 LEU  QD2     8.30                
         QG2    55 LEU  QQD     7.85                
         QG2    57 LYS+ HN      6.50                
         QG2    57 LYS+ HG3     7.60                
         QG2    57 LYS+ QE      7.20                
 55 LEU  
         HN     55 LEU  HB2     3.20                
         HN     55 LEU  HB3     3.80                
         HN     55 LEU  HG      3.60                
         HN     55 LEU  QD1     4.90                
         HN     55 LEU  QD2     4.90                
         HN     56 LYS+ HN      3.90                
         HN     62 VAL  QQG     9.16                
         HA     55 LEU  HB3     2.90                
         HA     55 LEU  HG      3.70                
         HA     55 LEU  QD1     5.00                
         HA     55 LEU  QD2     5.00                
         HA     55 LEU  QQD     4.06                
         HA     57 LYS+ HN      5.10                
         HA     58 THR  HN      5.50                
         HA     62 VAL  QQG     8.36                
         HB2    56 LYS+ HN      3.50                
         HB3    55 LEU  QD1     3.50                
         HB3    55 LEU  QD2     3.50                
         HB3    56 LYS+ HN      4.00                
         HB3    59 GLY  HN      6.30                
         HG     56 LYS+ HN      6.60                
         QD1    56 LYS+ HN      7.60                
         QD1    62 VAL  QG1    10.44                
         QD1    62 VAL  QG2    10.44                
         QD2    56 LYS+ HN      7.60                
         QD2    62 VAL  QG1    10.44                
         QD2    62 VAL  QG2    10.44                
         QQD    58 THR  QG2     9.27                
         QQD    62 VAL  QQG     8.14                
         QQD    63 SER  HN      9.17                
 56 LYS+ 
         HN     56 LYS+ HB2     3.40                
         HN     56 LYS+ HB3     3.50                
         HN     56 LYS+ HG2     4.00                
         HN     56 LYS+ HG3     4.50                
         HN     56 LYS+ QD      5.30                
         HN     57 LYS+ HN      3.70                
         HN     62 VAL  QQG     8.66                
         HA     56 LYS+ HG2     4.00                
         HA     56 LYS+ HG3     3.70                
         HA     58 THR  HN      4.80                
         HA     59 GLY  HN      5.20                
         HA     62 VAL  QG1     6.20                
         HA     62 VAL  QG2     6.20                
         HA     62 VAL  QQG     5.55                
         HB2    57 LYS+ HN      3.90                
         HB2    62 VAL  QQG     8.16                
         HB3    57 LYS+ HN      3.70                
         HB3    62 VAL  QQG     7.06                
         HG2    57 LYS+ HN      5.50                
         HG2    62 VAL  QQG     7.46                
         HG3    59 GLY  HN      6.60                
         HG3    62 VAL  HN      6.60                
         HG3    62 VAL  QQG     6.86                
 57 LYS+ 
         HN     57 LYS+ HB2     3.30                
         HN     57 LYS+ HB3     3.70                
         HN     57 LYS+ HG2     4.10                
         HN     57 LYS+ HG3     3.70                
         HN     57 LYS+ QD      6.10                
         HN     57 LYS+ QE      7.10                
         HN     58 THR  HN      3.80                
         HN     58 THR  QG2     7.60                
         HN     59 GLY  HN      5.90                
         HA     57 LYS+ HG2     3.60                
         HA     57 LYS+ HG3     3.90                
         HA     57 LYS+ QD      5.70                
         HA     59 GLY  HN      5.10                
         HB2    57 LYS+ QE      5.40                
         HB2    58 THR  HN      4.90                
         HB3    57 LYS+ QE      6.40                
         HB3    58 THR  HN      4.90                
         HB3    59 GLY  HN      6.60                
         HG2    58 THR  HN      6.60                
 58 THR  
         HN     58 THR  HB      4.00                
         HN     58 THR  QG2     4.10                
         HN     58 THR  HG1     3.90                
         HN     59 GLY  HN      3.60                
         HN     59 GLY  HA1     4.90                
         HN     60 LYS+ HN      5.60                
         HA     58 THR  QG2     3.70                
         HA     59 GLY  HN      3.60                
         HA     60 LYS+ QD      4.78                
         HB     59 GLY  HN      4.70                
         HB     60 LYS+ HN      3.50                
         HB     60 LYS+ HG2     6.60                
         HB     60 LYS+ HG3     6.20                
         QG2    59 GLY  HN      7.20                
         QG2    59 GLY  HA1     6.60                
         QG2    60 LYS+ HN      7.40                
         HG1    59 GLY  HN      6.10                
         HG1    60 LYS+ HN      4.90                
 59 GLY  
         HN     60 LYS+ HN      3.60                
 60 LYS+ 
         HN     60 LYS+ HB2     3.10                
         HN     60 LYS+ HB3     3.70                
         HN     60 LYS+ HG2     3.90                
         HN     60 LYS+ HG3     4.20                
         HN     60 LYS+ QD      6.18                
         HN     62 VAL  QG1     7.60                
         HN     62 VAL  QG2     7.60                
         HA     60 LYS+ QD      5.98                
         HA     61 THR  HN      3.10                
         HB2    60 LYS+ QE      5.38                
         HB2    61 THR  HN      3.80                
         HB2    61 THR  HA      4.70                
         HB2    61 THR  HB      6.50                
         HB2    62 VAL  QG1     7.20                
         HB2    62 VAL  QG2     7.20                
         HB2    62 VAL  QQG     6.83                
         HB3    61 THR  HN      4.70                
         HG2    61 THR  HN      6.20                
         HG3    61 THR  HN      5.90                
 61 THR  
         HN     61 THR  HB      3.40                
         HN     62 VAL  HN      5.00                
         HA     61 THR  HB      2.90                
         HA     61 THR  QG2     3.80                
         HA     62 VAL  HN      3.40                
         HA     62 VAL  QQG     9.16                
         HB     62 VAL  HN      4.30                
         QG2    62 VAL  HN      5.40                
         QG2    62 VAL  HA      7.60                
 62 VAL  
         HN     62 VAL  HB      3.50                
         HN     63 SER  HN      5.50                
         HA     63 SER  HN      2.70                
         HB     63 SER  HN      4.20                
         QG1    63 SER  HN      5.70                
         QG2    63 SER  HN      5.70                
         QQG    63 SER  HN      5.08                
 63 SER  
         HN     63 SER  HB2     4.20                
         HN     63 SER  HB3     4.20                
         HN     63 SER  QB      3.91                
         HA     64 TYR  HN      3.00                
         HB2    64 TYR  HN      4.30                
         HB2    65 LEU  QD1     6.80                
         HB3    64 TYR  HN      4.30                
         HB3    65 LEU  QD1     6.80                
         QB     65 LEU  QD1     6.12                
 64 TYR  
         HN     65 LEU  HN      5.10                
         HA     65 LEU  HN      3.30                
         HA     65 LEU  QD1     7.60                
         QD     65 LEU  HN      8.20                
         QE     65 LEU  QD2     9.60                
         QE     66 GLY  HN      8.60                
         QE     66 GLY  HA1     8.60                
         QE     66 GLY  HA2     8.60                
         QE     66 GLY  QA      8.02                
 65 LEU  
         HN     65 LEU  HG      4.10                
         HN     65 LEU  QD1     5.60                
         HN     65 LEU  QD2     5.30                
         HN     66 GLY  HN      4.50                
         HA     65 LEU  HG      3.80                
         HA     65 LEU  QD1     3.80                
         HA     65 LEU  QD2     4.00                
         QB     66 GLY  HN      5.70                
         QD2    66 GLY  HN      7.60                
 66 GLY  
         HN     67 LEU  HN      5.30                
         HA1    67 LEU  HN      3.40                
         HA2    67 LEU  HN      3.40                
         QA     67 LEU  HN      3.18                
 67 LEU  
         HN     67 LEU  HB2     3.40                
         HN     67 LEU  HB3     3.50                
         HN     67 LEU  HG      4.40                
         HN     67 LEU  QD1     5.80                
         HN     67 LEU  QD2     5.80                
         HA     67 LEU  QD1     5.20                
         HA     67 LEU  QD2     5.20                
         HA     67 LEU  QQD     4.32                
         HA     68 GLU- HN      3.50                
         HB2    68 GLU- HN      4.50                
         HB3    68 GLU- HN      4.70                
         HG     68 GLU- HN      5.50                
         QD1    68 GLU- HN      7.60                
         QD2    68 GLU- HN      7.60                
 68 GLU- 
         HN     68 GLU- HB2     4.20                
         HN     68 GLU- HB3     4.20                
         HN     68 GLU- QG      7.20                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1           H1       MET   1 -11.582   6.867  10.254
    2   2H    MET   1           H2       MET   1 -13.010   6.678  11.077
    3   3H    MET   1           H3       MET   1 -11.645   5.723  11.332
    4    HA   MET   1           HA       MET   1 -13.393   4.575  10.072
    5   1HB   MET   1          2HB       MET   1 -13.615   5.140   7.730
    6   2HB   MET   1          3HB       MET   1 -13.942   6.565   8.693
    7   1HG   MET   1          2HG       MET   1 -11.665   7.443   8.193
    8   2HG   MET   1          3HG       MET   1 -11.327   5.973   7.271
    9   1HE   MET   1          1HE       MET   1 -13.056   9.427   7.385
   10   2HE   MET   1          2HE       MET   1 -14.103   9.397   5.950
   11   3HE   MET   1          3HE       MET   1 -14.512   8.401   7.362
   12    HA   PRO   2           HA       PRO   2  -9.347   2.731   9.032
   13   1HB   PRO   2          2HB       PRO   2  -9.847   0.570   7.653
   14   2HB   PRO   2          3HB       PRO   2 -10.802   0.877   9.121
   15   1HG   PRO   2          2HG       PRO   2 -11.663   1.405   6.263
   16   2HG   PRO   2          3HG       PRO   2 -12.597   0.632   7.570
   17   1HD   PRO   2          2HD       PRO   2 -12.629   3.352   6.826
   18   2HD   PRO   2          3HD       PRO   2 -13.240   2.716   8.384
   19    H    LYS   3           H        LYS   3  -9.067   5.004   7.739
   20    HA   LYS   3           HA       LYS   3  -8.308   4.438   4.912
   21   1HB   LYS   3          2HB       LYS   3  -9.974   6.215   5.456
   22   2HB   LYS   3          3HB       LYS   3  -8.723   7.053   6.376
   23   1HG   LYS   3          2HG       LYS   3  -7.400   7.166   4.163
   24   2HG   LYS   3          3HG       LYS   3  -8.862   6.508   3.393
   25   1HD   LYS   3          2HD       LYS   3 -10.055   8.471   4.811
   26   2HD   LYS   3          3HD       LYS   3  -8.432   9.146   4.840
   27   1HE   LYS   3          2HE       LYS   3  -9.641  10.169   3.062
   28   2HE   LYS   3          3HE       LYS   3  -8.449   9.109   2.290
   29   1HZ   LYS   3          1HZ       LYS   3 -10.974   9.092   1.573
   30   2HZ   LYS   3          2HZ       LYS   3 -10.162   7.673   1.605
   31   3HZ   LYS   3          3HZ       LYS   3 -11.120   7.991   2.805
   32    H    HIS   4           H        HIS   4  -6.178   4.368   4.475
   33    HA   HIS   4           HA       HIS   4  -4.213   4.779   6.684
   34   1HB   HIS   4          2HB       HIS   4  -4.788   2.259   5.066
   35   2HB   HIS   4          3HB       HIS   4  -3.530   2.450   6.286
   36    HD1  HIS   4           1HD      HIS   4  -5.693   3.948   8.373
   37    HD2  HIS   4           2HD      HIS   4  -5.938   0.232   6.415
   38    HE1  HIS   4           1HE      HIS   4  -7.169   2.434   9.820
   39    H    GLU   5           H        GLU   5  -2.851   6.261   5.707
   40    HA   GLU   5           HA       GLU   5  -1.963   5.848   2.920
   41   1HB   GLU   5          2HB       GLU   5  -2.323   8.176   3.729
   42   2HB   GLU   5          3HB       GLU   5  -1.049   7.924   4.924
   43   1HG   GLU   5          2HG       GLU   5   0.481   7.313   2.881
   44   2HG   GLU   5          3HG       GLU   5  -0.812   7.987   1.888
   45    H    PHE   6           H        PHE   6  -0.140   4.826   2.392
   46    HA   PHE   6           HA       PHE   6   1.989   4.365   4.443
   47   1HB   PHE   6          2HB       PHE   6   1.249   2.612   2.059
   48   2HB   PHE   6          3HB       PHE   6   2.668   2.404   3.082
   49    HD1  PHE   6           HD1      PHE   6  -1.103   2.512   3.246
   50    HD2  PHE   6           HD2      PHE   6   2.543   0.981   4.990
   51    HE1  PHE   6           HE1      PHE   6  -2.410   1.138   4.793
   52    HE2  PHE   6           HE2      PHE   6   1.226  -0.558   6.368
   53    HZ   PHE   6           HZ       PHE   6  -1.271  -0.426   6.366
   54    H    SER   7           H        SER   7   3.861   5.306   3.867
   55    HA   SER   7           HA       SER   7   4.169   6.304   1.071
   56   1HB   SER   7          2HB       SER   7   4.691   7.877   2.930
   57   2HB   SER   7          3HB       SER   7   6.015   6.802   3.413
   58    HG   SER   7           HG       SER   7   6.826   7.122   1.216
   59    H    VAL   8           H        VAL   8   5.733   5.356  -0.223
   60    HA   VAL   8           HA       VAL   8   6.912   2.772   0.633
   61    HB   VAL   8           HB       VAL   8   5.010   3.262  -1.715
   62   1HG1  VAL   8          1HG1      VAL   8   6.582   1.578  -2.463
   63   2HG1  VAL   8          2HG1      VAL   8   6.501   0.747  -0.883
   64   3HG1  VAL   8          3HG1      VAL   8   5.119   0.745  -1.989
   65   1HG2  VAL   8          1HG2      VAL   8   3.715   3.058   0.327
   66   2HG2  VAL   8          2HG2      VAL   8   3.607   1.509  -0.507
   67   3HG2  VAL   8          3HG2      VAL   8   4.703   1.682   0.867
   68    H    ASP   9           H        ASP   9   8.300   2.072  -1.495
   69    HA   ASP   9           HA       ASP   9   9.281   4.558  -2.817
   70   1HB   ASP   9          2HB       ASP   9  11.101   3.378  -1.560
   71   2HB   ASP   9          3HB       ASP   9  10.892   2.007  -2.675
   72    H    MET  10           H        MET  10   8.277   4.707  -4.739
   73    HA   MET  10           HA       MET  10   8.580   2.372  -6.508
   74   1HB   MET  10          2HB       MET  10   6.356   4.420  -6.868
   75   2HB   MET  10          3HB       MET  10   6.613   2.910  -7.753
   76   1HG   MET  10          2HG       MET  10   4.819   2.474  -6.367
   77   2HG   MET  10          3HG       MET  10   6.135   1.763  -5.430
   78   1HE   MET  10          1HE       MET  10   3.144   3.646  -3.303
   79   2HE   MET  10          2HE       MET  10   2.963   3.125  -4.986
   80   3HE   MET  10          3HE       MET  10   3.688   2.016  -3.787
   81    H    THR  11           H        THR  11  10.750   3.703  -6.368
   82    HA   THR  11           HA       THR  11  10.754   6.078  -8.024
   83    HB   THR  11           HB       THR  11  13.071   4.236  -7.342
   84    HG1  THR  11           1HG      THR  11  12.184   4.870  -5.480
   85   1HG2  THR  11          1HG2      THR  11  14.383   6.366  -7.493
   86   2HG2  THR  11          2HG2      THR  11  13.729   5.869  -9.056
   87   3HG2  THR  11          3HG2      THR  11  12.949   7.183  -8.147
   88    H    CYS  12           HN       CYS  12  10.310   2.768  -8.901
   89    HA   CYS  12           HA       CYS  12  10.258   3.711 -11.663
   90   1HB   CYS  12          2HB       CYS  12  10.965   1.427 -12.436
   91   2HB   CYS  12          3HB       CYS  12  12.239   2.490 -11.840
   92    H    GLY  13           H        GLY  13   8.512   3.064 -12.732
   93   1HA   GLY  13          2HA       GLY  13   6.158   2.970 -11.427
   94   2HA   GLY  13          3HA       GLY  13   6.354   2.379 -13.082
   95    H    GLY  14           H        GLY  14   7.948   0.119 -12.572
   96   1HA   GLY  14          2HA       GLY  14   6.069  -1.859 -12.281
   97   2HA   GLY  14          3HA       GLY  14   7.812  -2.103 -12.051
   98    H    CYS  15           HN       CYS  15   7.809  -0.225  -9.614
   99    HA   CYS  15           HA       CYS  15   7.221  -2.210  -7.617
  100   1HB   CYS  15          2HB       CYS  15   7.643   0.761  -7.496
  101   2HB   CYS  15          3HB       CYS  15   7.512  -0.263  -6.059
  102    H    ALA  16           H        ALA  16   5.283   0.487  -9.002
  103    HA   ALA  16           HA       ALA  16   3.161   0.307  -7.025
  104   1HB   ALA  16          1HB       ALA  16   3.336   2.308  -8.357
  105   2HB   ALA  16          2HB       ALA  16   3.179   1.387  -9.876
  106   3HB   ALA  16          3HB       ALA  16   1.822   1.479  -8.753
  107    H    GLU  17           H        GLU  17   3.785  -1.122 -10.253
  108    HA   GLU  17           HA       GLU  17   1.392  -2.608 -10.499
  109   1HB   GLU  17          2HB       GLU  17   4.172  -3.391 -11.488
  110   2HB   GLU  17          3HB       GLU  17   2.630  -4.013 -12.063
  111   1HG   GLU  17          2HG       GLU  17   1.996  -1.794 -12.905
  112   2HG   GLU  17          3HG       GLU  17   3.490  -1.083 -12.272
  113    H    ALA  18           H        ALA  18   4.552  -3.540  -9.081
  114    HA   ALA  18           HA       ALA  18   3.858  -6.128  -8.196
  115   1HB   ALA  18          1HB       ALA  18   5.781  -4.144  -6.915
  116   2HB   ALA  18          2HB       ALA  18   5.764  -5.898  -6.665
  117   3HB   ALA  18          3HB       ALA  18   6.173  -5.234  -8.265
  118    H    VAL  19           H        VAL  19   3.675  -2.967  -6.372
  119    HA   VAL  19           HA       VAL  19   2.652  -4.027  -3.994
  120    HB   VAL  19           HB       VAL  19   2.341  -1.347  -5.405
  121   1HG1  VAL  19          1HG1      VAL  19   1.274  -2.384  -2.785
  122   2HG1  VAL  19          2HG1      VAL  19   1.571  -0.636  -3.071
  123   3HG1  VAL  19          3HG1      VAL  19   0.402  -1.491  -4.082
  124   1HG2  VAL  19          1HG2      VAL  19   3.792  -1.886  -2.799
  125   2HG2  VAL  19          2HG2      VAL  19   4.619  -2.147  -4.345
  126   3HG2  VAL  19          3HG2      VAL  19   3.984  -0.545  -3.932
  127    H    SER  20           H        SER  20   0.951  -2.889  -6.947
  128    HA   SER  20           HA       SER  20  -1.669  -3.376  -5.959
  129   1HB   SER  20          2HB       SER  20  -0.832  -2.205  -8.170
  130   2HB   SER  20          3HB       SER  20  -0.871  -3.803  -8.889
  131    HG   SER  20           HG       SER  20  -2.854  -2.687  -9.163
  132    H    ARG  21           H        ARG  21   0.440  -5.515  -7.922
  133    HA   ARG  21           HA       ARG  21  -1.198  -7.774  -7.828
  134   1HB   ARG  21          2HB       ARG  21   0.416  -8.563  -9.071
  135   2HB   ARG  21          3HB       ARG  21   1.329  -7.108  -8.826
  136   1HG   ARG  21          2HG       ARG  21   2.540  -8.116  -6.929
  137   2HG   ARG  21          3HG       ARG  21   1.603  -9.601  -7.105
  138   1HD   ARG  21          2HD       ARG  21   2.507  -9.947  -9.357
  139   2HD   ARG  21          3HD       ARG  21   3.277  -8.342  -9.327
  140    HE   ARG  21           HE       ARG  21   4.266  -9.832  -7.131
  141   1HH1  ARG  21          2HH2      ARG  21   4.442  -9.757 -10.651
  142   2HH1  ARG  21          1HH2      ARG  21   6.040 -10.423 -10.758
  143   1HH2  ARG  21          2HH1      ARG  21   6.408 -10.735  -7.224
  144   2HH2  ARG  21          1HH1      ARG  21   7.175 -10.997  -8.754
  145    H    VAL  22           H        VAL  22   0.750  -6.449  -5.215
  146    HA   VAL  22           HA       VAL  22   0.453  -8.808  -3.543
  147    HB   VAL  22           HB       VAL  22   2.098  -6.546  -3.523
  148   1HG1  VAL  22          1HG1      VAL  22   0.626  -5.145  -2.071
  149   2HG1  VAL  22          2HG1      VAL  22   0.380  -6.526  -0.977
  150   3HG1  VAL  22          3HG1      VAL  22   1.955  -5.771  -1.139
  151   1HG2  VAL  22          1HG2      VAL  22   2.650  -8.813  -2.899
  152   2HG2  VAL  22          2HG2      VAL  22   3.102  -7.659  -1.620
  153   3HG2  VAL  22          3HG2      VAL  22   1.630  -8.665  -1.438
  154    H    LEU  23           H        LEU  23  -0.909  -5.533  -3.410
  155    HA   LEU  23           HA       LEU  23  -2.675  -6.082  -1.217
  156   1HB   LEU  23          2HB       LEU  23  -2.155  -3.871  -3.146
  157   2HB   LEU  23          3HB       LEU  23  -3.762  -3.874  -2.526
  158    HG   LEU  23           HG       LEU  23  -1.249  -4.049  -0.792
  159   1HD1  LEU  23          1HD1      LEU  23  -1.476  -1.663  -0.494
  160   2HD1  LEU  23          2HD1      LEU  23  -1.397  -1.959  -2.229
  161   3HD1  LEU  23          3HD1      LEU  23  -2.975  -1.635  -1.468
  162   1HD2  LEU  23          1HD2      LEU  23  -2.804  -3.317   1.001
  163   2HD2  LEU  23          2HD2      LEU  23  -4.115  -3.224  -0.200
  164   3HD2  LEU  23          3HD2      LEU  23  -3.448  -4.793   0.270
  165    H    ASN  24           H        ASN  24  -3.255  -5.930  -4.782
  166    HA   ASN  24           HA       ASN  24  -5.971  -6.318  -4.813
  167   1HB   ASN  24          2HB       ASN  24  -4.501  -6.102  -6.862
  168   2HB   ASN  24          3HB       ASN  24  -3.991  -7.769  -6.625
  169   1HD2  ASN  24          1HD2      ASN  24  -7.267  -7.712  -5.633
  170   2HD2  ASN  24          2HD2      ASN  24  -7.908  -8.188  -7.188
  171    H    LYS  25           H        LYS  25  -3.433  -8.777  -4.316
  172    HA   LYS  25           HA       LYS  25  -5.031 -11.093  -4.451
  173   1HB   LYS  25          2HB       LYS  25  -2.430 -10.562  -4.213
  174   2HB   LYS  25          3HB       LYS  25  -2.719 -10.968  -2.521
  175   1HG   LYS  25          2HG       LYS  25  -3.757 -13.118  -3.258
  176   2HG   LYS  25          3HG       LYS  25  -3.367 -12.741  -4.939
  177   1HD   LYS  25          2HD       LYS  25  -1.308 -13.043  -2.689
  178   2HD   LYS  25          3HD       LYS  25  -1.807 -14.324  -3.783
  179   1HE   LYS  25          2HE       LYS  25   0.244 -13.533  -4.613
  180   2HE   LYS  25          3HE       LYS  25  -0.992 -12.999  -5.756
  181   1HZ   LYS  25          1HZ       LYS  25   0.800 -11.388  -5.061
  182   2HZ   LYS  25          2HZ       LYS  25  -0.700 -10.778  -5.034
  183   3HZ   LYS  25          3HZ       LYS  25   0.016 -11.234  -3.625
  184    H    LEU  26           H        LEU  26  -4.569  -8.779  -1.878
  185    HA   LEU  26           HA       LEU  26  -5.662 -10.211   0.344
  186   1HB   LEU  26          2HB       LEU  26  -4.314  -8.032   0.255
  187   2HB   LEU  26          3HB       LEU  26  -5.803  -7.237  -0.250
  188    HG   LEU  26           HG       LEU  26  -5.346  -6.786   2.005
  189   1HD1  LEU  26          1HD1      LEU  26  -7.653  -7.057   0.934
  190   2HD1  LEU  26          2HD1      LEU  26  -7.774  -8.499   1.967
  191   3HD1  LEU  26          3HD1      LEU  26  -7.486  -6.902   2.701
  192   1HD2  LEU  26          1HD2      LEU  26  -5.829  -9.707   2.656
  193   2HD2  LEU  26          2HD2      LEU  26  -4.252  -8.879   2.713
  194   3HD2  LEU  26          3HD2      LEU  26  -5.573  -8.347   3.776
  195    H    GLY  27           H        GLY  27  -7.081  -8.284  -2.313
  196   1HA   GLY  27          2HA       GLY  27  -9.096  -8.826  -3.317
  197   2HA   GLY  27          3HA       GLY  27  -9.712  -9.548  -1.836
  198    H    GLY  28           H        GLY  28 -10.266  -8.052  -0.035
  199   1HA   GLY  28          2HA       GLY  28 -12.281  -6.372  -1.021
  200   2HA   GLY  28          3HA       GLY  28 -11.786  -6.497   0.668
  201    H    VAL  29           H        VAL  29  -9.009  -5.557  -0.093
  202    HA   VAL  29           HA       VAL  29  -9.187  -2.867   0.623
  203    HB   VAL  29           HB       VAL  29  -6.882  -2.651  -0.299
  204   1HG1  VAL  29          1HG1      VAL  29  -5.976  -4.872   0.883
  205   2HG1  VAL  29          2HG1      VAL  29  -6.691  -3.516   1.788
  206   3HG1  VAL  29          3HG1      VAL  29  -7.645  -4.956   1.456
  207   1HG2  VAL  29          1HG2      VAL  29  -5.732  -4.407  -1.416
  208   2HG2  VAL  29          2HG2      VAL  29  -7.137  -5.501  -1.331
  209   3HG2  VAL  29          3HG2      VAL  29  -7.172  -4.064  -2.362
  210    H    LYS  30           H        LYS  30  -9.109  -0.824  -0.559
  211    HA   LYS  30           HA       LYS  30  -8.386  -1.110  -3.332
  212   1HB   LYS  30          2HB       LYS  30 -10.871   0.398  -2.518
  213   2HB   LYS  30          3HB       LYS  30  -9.849   1.011  -3.817
  214   1HG   LYS  30          2HG       LYS  30 -11.187  -1.714  -3.760
  215   2HG   LYS  30          3HG       LYS  30 -11.679  -0.305  -4.670
  216   1HD   LYS  30          2HD       LYS  30 -10.557  -1.139  -6.401
  217   2HD   LYS  30          3HD       LYS  30  -9.132  -0.455  -5.652
  218   1HE   LYS  30          2HE       LYS  30  -8.964  -2.818  -6.564
  219   2HE   LYS  30          3HE       LYS  30  -8.360  -2.604  -4.929
  220   1HZ   LYS  30          1HZ       LYS  30 -11.056  -3.658  -5.479
  221   2HZ   LYS  30          2HZ       LYS  30  -9.719  -4.595  -5.226
  222   3HZ   LYS  30          3HZ       LYS  30 -10.226  -3.608  -4.043
  223    H    TYR  31           H        TYR  31  -7.257   0.754  -4.072
  224    HA   TYR  31           HA       TYR  31  -6.036   2.331  -1.952
  225   1HB   TYR  31          2HB       TYR  31  -3.820   1.227  -2.502
  226   2HB   TYR  31          3HB       TYR  31  -4.937   0.272  -1.544
  227    HD1  TYR  31           HD1      TYR  31  -6.164  -1.677  -2.513
  228    HD2  TYR  31           HD2      TYR  31  -2.991   0.362  -4.573
  229    HE1  TYR  31           HE1      TYR  31  -6.092  -3.498  -4.219
  230    HE2  TYR  31           HE2      TYR  31  -2.880  -1.490  -6.219
  231    HH   TYR  31           HH       TYR  31  -3.838  -3.448  -6.967
  232    H    ASP  32           H        ASP  32  -5.414   4.206  -2.753
  233    HA   ASP  32           HA       ASP  32  -5.189   4.513  -5.710
  234   1HB   ASP  32          2HB       ASP  32  -6.660   6.146  -4.601
  235   2HB   ASP  32          3HB       ASP  32  -5.332   6.634  -3.535
  236    H    ILE  33           H        ILE  33  -3.250   5.659  -6.438
  237    HA   ILE  33           HA       ILE  33  -0.813   4.659  -4.997
  238    HB   ILE  33           HB       ILE  33  -1.975   3.990  -7.715
  239   1HG1  ILE  33          2HG1      ILE  33  -0.799   1.922  -5.855
  240   2HG1  ILE  33          3HG1      ILE  33  -2.363   2.607  -5.414
  241   1HG2  ILE  33          1HG2      ILE  33   0.860   3.502  -6.755
  242   2HG2  ILE  33          2HG2      ILE  33   0.100   2.738  -8.177
  243   3HG2  ILE  33          3HG2      ILE  33   0.337   4.482  -8.147
  244   1HD1  ILE  33          1HD1      ILE  33  -2.640   0.587  -6.851
  245   2HD1  ILE  33          2HD1      ILE  33  -3.415   2.025  -7.491
  246   3HD1  ILE  33          3HD1      ILE  33  -1.875   1.449  -8.183
  247    H    ASP  34           H        ASP  34   0.387   6.487  -4.805
  248    HA   ASP  34           HA       ASP  34   0.507   8.412  -7.099
  249   1HB   ASP  34          2HB       ASP  34  -0.100   9.390  -4.919
  250   2HB   ASP  34          3HB       ASP  34   1.415   8.772  -4.236
  251    H    LEU  35           H        LEU  35   2.166   8.026  -8.404
  252    HA   LEU  35           HA       LEU  35   4.488   6.443  -7.575
  253   1HB   LEU  35          2HB       LEU  35   3.621   7.724 -10.174
  254   2HB   LEU  35          3HB       LEU  35   5.294   7.247  -9.899
  255    HG   LEU  35           HG       LEU  35   2.851   5.403  -9.792
  256   1HD1  LEU  35          1HD1      LEU  35   5.117   5.602 -11.828
  257   2HD1  LEU  35          2HD1      LEU  35   3.770   4.449 -11.874
  258   3HD1  LEU  35          3HD1      LEU  35   3.454   6.183 -12.079
  259   1HD2  LEU  35          1HD2      LEU  35   4.504   4.419  -8.327
  260   2HD2  LEU  35          2HD2      LEU  35   4.612   3.561  -9.858
  261   3HD2  LEU  35          3HD2      LEU  35   5.826   4.789  -9.464
  262    HA   PRO  36           HA       PRO  36   6.994  10.383  -8.429
  263   1HB   PRO  36          2HB       PRO  36   5.775  12.876  -8.102
  264   2HB   PRO  36          3HB       PRO  36   6.059  12.045  -9.657
  265   1HG   PRO  36          2HG       PRO  36   3.543  12.025  -7.975
  266   2HG   PRO  36          3HG       PRO  36   3.683  12.299  -9.737
  267   1HD   PRO  36          2HD       PRO  36   2.989   9.901  -8.813
  268   2HD   PRO  36          3HD       PRO  36   4.200   9.992 -10.122
  269    H    ASN  37           H        ASN  37   4.362  10.577  -6.061
  270    HA   ASN  37           HA       ASN  37   6.257  11.592  -3.966
  271   1HB   ASN  37          2HB       ASN  37   3.255  11.222  -3.765
  272   2HB   ASN  37          3HB       ASN  37   4.325  11.934  -2.572
  273   1HD2  ASN  37          1HD2      ASN  37   2.305  12.686  -5.219
  274   2HD2  ASN  37          2HD2      ASN  37   2.891  14.332  -5.466
  275    H    LYS  38           H        LYS  38   5.408   8.672  -5.249
  276    HA   LYS  38           HA       LYS  38   5.465   6.545  -4.628
  277   1HB   LYS  38          2HB       LYS  38   7.650   7.626  -2.804
  278   2HB   LYS  38          3HB       LYS  38   7.448   5.955  -3.361
  279   1HG   LYS  38          2HG       LYS  38   7.599   6.732  -5.718
  280   2HG   LYS  38          3HG       LYS  38   7.957   8.368  -5.166
  281   1HD   LYS  38          2HD       LYS  38   9.708   5.928  -4.574
  282   2HD   LYS  38          3HD       LYS  38   9.895   6.997  -5.955
  283   1HE   LYS  38          2HE       LYS  38  10.446   8.862  -4.527
  284   2HE   LYS  38          3HE       LYS  38  10.064   7.930  -3.062
  285   1HZ   LYS  38          1HZ       LYS  38  11.870   6.489  -3.476
  286   2HZ   LYS  38          2HZ       LYS  38  12.136   7.020  -4.961
  287   3HZ   LYS  38          3HZ       LYS  38  12.486   8.003  -3.665
  288    H    LYS  39           H        LYS  39   3.205   6.775  -3.734
  289    HA   LYS  39           HA       LYS  39   3.096   5.983  -0.893
  290   1HB   LYS  39          2HB       LYS  39   2.037   8.547  -2.095
  291   2HB   LYS  39          3HB       LYS  39   1.077   7.762  -0.847
  292   1HG   LYS  39          2HG       LYS  39   2.645   8.083   0.826
  293   2HG   LYS  39          3HG       LYS  39   3.986   8.126  -0.334
  294   1HD   LYS  39          2HD       LYS  39   3.074  10.361  -1.161
  295   2HD   LYS  39          3HD       LYS  39   1.958  10.318   0.214
  296   1HE   LYS  39          2HE       LYS  39   4.012  11.653   0.659
  297   2HE   LYS  39          3HE       LYS  39   3.806  10.318   1.803
  298   1HZ   LYS  39          1HZ       LYS  39   5.518   9.123   0.777
  299   2HZ   LYS  39          2HZ       LYS  39   5.492  10.016  -0.603
  300   3HZ   LYS  39          3HZ       LYS  39   6.094  10.653   0.801
  301    H    VAL  40           H        VAL  40   1.176   4.998  -0.278
  302    HA   VAL  40           HA       VAL  40  -0.752   4.350  -2.416
  303    HB   VAL  40           HB       VAL  40   0.061   2.463  -0.167
  304   1HG1  VAL  40          1HG1      VAL  40  -1.424   2.036  -2.795
  305   2HG1  VAL  40          2HG1      VAL  40  -1.218   0.855  -1.479
  306   3HG1  VAL  40          3HG1      VAL  40  -2.208   2.318  -1.233
  307   1HG2  VAL  40          1HG2      VAL  40   2.003   2.695  -1.648
  308   2HG2  VAL  40          2HG2      VAL  40   1.220   1.131  -1.850
  309   3HG2  VAL  40          3HG2      VAL  40   0.963   2.404  -3.072
  310    H    CYS  41           H        CYS  41  -2.684   5.191  -1.796
  311    HA   CYS  41           HA       CYS  41  -3.281   5.708   1.115
  312   1HB   CYS  41          2HB       CYS  41  -4.463   6.811  -1.458
  313   2HB   CYS  41          3HB       CYS  41  -5.171   7.063   0.148
  314    HG   CYS  41           HG       CYS  41  -3.906   9.212  -0.669
  315    H    ILE  42           H        ILE  42  -3.926   3.763   1.872
  316    HA   ILE  42           HA       ILE  42  -5.701   2.212   0.140
  317    HB   ILE  42           HB       ILE  42  -4.569   1.295   2.801
  318   1HG1  ILE  42          2HG1      ILE  42  -3.419   0.994   0.012
  319   2HG1  ILE  42          3HG1      ILE  42  -2.714   1.917   1.360
  320   1HG2  ILE  42          1HG2      ILE  42  -5.094  -0.981   1.640
  321   2HG2  ILE  42          2HG2      ILE  42  -6.490   0.017   2.037
  322   3HG2  ILE  42          3HG2      ILE  42  -5.879  -0.060   0.386
  323   1HD1  ILE  42          1HD1      ILE  42  -2.194  -0.089   2.585
  324   2HD1  ILE  42          2HD1      ILE  42  -2.911  -1.086   1.294
  325   3HD1  ILE  42          3HD1      ILE  42  -1.501  -0.077   0.983
  326    H    GLU  43           H        GLU  43  -7.838   1.754   0.663
  327    HA   GLU  43           HA       GLU  43  -8.877   2.751   3.250
  328   1HB   GLU  43          2HB       GLU  43  -9.143   4.410   1.361
  329   2HB   GLU  43          3HB       GLU  43 -10.279   3.300   0.591
  330   1HG   GLU  43          2HG       GLU  43 -11.903   3.636   2.298
  331   2HG   GLU  43          3HG       GLU  43 -10.687   4.122   3.492
  332    H    SER  44           H        SER  44  -9.736   1.005   4.213
  333    HA   SER  44           HA       SER  44 -10.684  -1.308   2.602
  334   1HB   SER  44          2HB       SER  44  -8.283  -1.499   2.412
  335   2HB   SER  44          3HB       SER  44  -8.055  -1.084   4.126
  336    HG   SER  44           HG       SER  44  -8.460  -3.018   4.686
  337    H    GLU  45           H        GLU  45 -12.118  -2.502   3.784
  338    HA   GLU  45           HA       GLU  45 -12.736  -1.959   6.519
  339   1HB   GLU  45          2HB       GLU  45 -13.986  -4.087   6.404
  340   2HB   GLU  45          3HB       GLU  45 -14.349  -3.004   5.056
  341   1HG   GLU  45          2HG       GLU  45 -12.777  -4.344   3.605
  342   2HG   GLU  45          3HG       GLU  45 -12.534  -5.445   4.975
  343    H    HIS  46           H        HIS  46 -10.349  -4.010   4.921
  344    HA   HIS  46           HA       HIS  46  -9.612  -5.532   7.289
  345   1HB   HIS  46          2HB       HIS  46  -7.917  -5.056   4.806
  346   2HB   HIS  46          3HB       HIS  46  -7.766  -6.325   6.001
  347    HD1  HIS  46           1HD      HIS  46  -8.698  -8.546   5.191
  348    HD2  HIS  46           2HD      HIS  46 -10.206  -5.185   3.177
  349    HE1  HIS  46           1HE      HIS  46  -9.796  -9.384   3.071
  350    H    SER  47           H        SER  47  -8.339  -4.789   8.911
  351    HA   SER  47           HA       SER  47  -7.828  -2.051   9.181
  352   1HB   SER  47          2HB       SER  47  -6.788  -2.642  11.291
  353   2HB   SER  47          3HB       SER  47  -8.201  -3.661  11.033
  354    HG   SER  47           HG       SER  47  -6.567  -5.237  10.124
  355    H    MET  48           H        MET  48  -5.937  -0.849   9.502
  356    HA   MET  48           HA       MET  48  -3.789  -0.973   7.841
  357   1HB   MET  48          2HB       MET  48  -2.615   0.478   9.194
  358   2HB   MET  48          3HB       MET  48  -4.311   0.893   9.415
  359   1HG   MET  48          2HG       MET  48  -2.580  -0.730  11.280
  360   2HG   MET  48          3HG       MET  48  -3.046   0.953  11.510
  361   1HE   MET  48          1HE       MET  48  -4.868  -1.006  14.406
  362   2HE   MET  48          2HE       MET  48  -3.316  -1.459  13.664
  363   3HE   MET  48          3HE       MET  48  -3.671   0.253  14.017
  364    H    ASP  49           H        ASP  49  -4.134  -2.961  10.791
  365    HA   ASP  49           HA       ASP  49  -1.390  -3.898  10.822
  366   1HB   ASP  49          2HB       ASP  49  -2.719  -4.189  12.803
  367   2HB   ASP  49          3HB       ASP  49  -3.985  -5.060  11.918
  368    H    THR  50           H        THR  50  -4.422  -5.376   9.666
  369    HA   THR  50           HA       THR  50  -3.414  -7.631   8.409
  370    HB   THR  50           HB       THR  50  -5.735  -6.013   7.292
  371    HG1  THR  50           1HG      THR  50  -5.545  -7.302   9.800
  372   1HG2  THR  50          1HG2      THR  50  -5.354  -8.987   7.888
  373   2HG2  THR  50          2HG2      THR  50  -6.792  -8.248   7.162
  374   3HG2  THR  50          3HG2      THR  50  -5.247  -8.230   6.284
  375    H    LEU  51           H        LEU  51  -3.859  -4.327   7.140
  376    HA   LEU  51           HA       LEU  51  -2.906  -4.792   4.488
  377   1HB   LEU  51          2HB       LEU  51  -2.693  -2.253   6.163
  378   2HB   LEU  51          3HB       LEU  51  -2.367  -2.417   4.444
  379    HG   LEU  51           HG       LEU  51  -5.007  -2.402   5.909
  380   1HD1  LEU  51          1HD1      LEU  51  -3.876  -1.172   3.384
  381   2HD1  LEU  51          2HD1      LEU  51  -5.489  -0.817   4.061
  382   3HD1  LEU  51          3HD1      LEU  51  -4.026  -0.366   4.951
  383   1HD2  LEU  51          1HD2      LEU  51  -4.620  -3.607   3.138
  384   2HD2  LEU  51          2HD2      LEU  51  -5.208  -4.472   4.584
  385   3HD2  LEU  51          3HD2      LEU  51  -6.165  -3.162   3.905
  386    H    LEU  52           H        LEU  52  -1.145  -3.429   7.340
  387    HA   LEU  52           HA       LEU  52   1.342  -3.049   6.323
  388   1HB   LEU  52          2HB       LEU  52   0.322  -3.782   9.020
  389   2HB   LEU  52          3HB       LEU  52   1.945  -4.340   8.650
  390    HG   LEU  52           HG       LEU  52   2.413  -1.873   7.897
  391   1HD1  LEU  52          1HD1      LEU  52   0.118  -1.501   9.893
  392   2HD1  LEU  52          2HD1      LEU  52   1.141  -0.225   9.214
  393   3HD1  LEU  52          3HD1      LEU  52   0.023  -1.113   8.167
  394   1HD2  LEU  52          1HD2      LEU  52   2.096  -2.747  10.783
  395   2HD2  LEU  52          2HD2      LEU  52   3.504  -3.021   9.728
  396   3HD2  LEU  52          3HD2      LEU  52   3.077  -1.371  10.219
  397    H    ALA  53           H        ALA  53   0.313  -6.181   7.822
  398    HA   ALA  53           HA       ALA  53   2.794  -7.397   7.047
  399   1HB   ALA  53          1HB       ALA  53   0.139  -8.717   7.835
  400   2HB   ALA  53          2HB       ALA  53   1.730  -9.510   7.839
  401   3HB   ALA  53          3HB       ALA  53   1.398  -8.178   8.966
  402    H    THR  54           H        THR  54  -0.132  -6.893   5.146
  403    HA   THR  54           HA       THR  54   0.597  -8.902   3.162
  404    HB   THR  54           HB       THR  54  -1.381  -6.585   3.045
  405    HG1  THR  54           1HG      THR  54  -2.031  -7.937   4.668
  406   1HG2  THR  54          1HG2      THR  54  -0.733  -7.508   0.857
  407   2HG2  THR  54          2HG2      THR  54  -1.110  -9.150   1.445
  408   3HG2  THR  54          3HG2      THR  54  -2.393  -7.927   1.304
  409    H    LEU  55           H        LEU  55   0.809  -5.344   3.598
  410    HA   LEU  55           HA       LEU  55   1.748  -4.827   0.954
  411   1HB   LEU  55          2HB       LEU  55   0.823  -3.393   3.253
  412   2HB   LEU  55          3HB       LEU  55   2.422  -2.745   2.865
  413    HG   LEU  55           HG       LEU  55  -0.188  -2.657   1.399
  414   1HD1  LEU  55          1HD1      LEU  55   0.314  -0.895   2.973
  415   2HD1  LEU  55          2HD1      LEU  55   1.950  -0.666   2.319
  416   3HD1  LEU  55          3HD1      LEU  55   0.569  -0.191   1.360
  417   1HD2  LEU  55          1HD2      LEU  55   1.233  -3.261  -0.422
  418   2HD2  LEU  55          2HD2      LEU  55   0.975  -1.517  -0.475
  419   3HD2  LEU  55          3HD2      LEU  55   2.528  -2.159   0.136
  420    H    LYS  56           H        LYS  56   3.241  -5.265   4.102
  421    HA   LYS  56           HA       LYS  56   5.937  -4.820   3.727
  422   1HB   LYS  56          2HB       LYS  56   4.358  -6.865   5.327
  423   2HB   LYS  56          3HB       LYS  56   6.127  -6.850   5.325
  424   1HG   LYS  56          2HG       LYS  56   6.253  -4.651   6.153
  425   2HG   LYS  56          3HG       LYS  56   4.571  -4.302   5.879
  426   1HD   LYS  56          2HD       LYS  56   5.001  -4.411   8.192
  427   2HD   LYS  56          3HD       LYS  56   4.001  -5.793   7.831
  428   1HE   LYS  56          2HE       LYS  56   7.060  -5.865   8.116
  429   2HE   LYS  56          3HE       LYS  56   5.944  -6.132   9.459
  430   1HZ   LYS  56          1HZ       LYS  56   6.070  -7.805   7.050
  431   2HZ   LYS  56          2HZ       LYS  56   6.691  -8.183   8.524
  432   3HZ   LYS  56          3HZ       LYS  56   5.066  -8.030   8.337
  433    H    LYS  57           H        LYS  57   4.041  -7.506   2.319
  434    HA   LYS  57           HA       LYS  57   6.335  -9.168   1.853
  435   1HB   LYS  57          2HB       LYS  57   3.707  -9.189   0.338
  436   2HB   LYS  57          3HB       LYS  57   4.927 -10.472   0.417
  437   1HG   LYS  57          2HG       LYS  57   4.570 -10.463   2.968
  438   2HG   LYS  57          3HG       LYS  57   3.151  -9.449   2.655
  439   1HD   LYS  57          2HD       LYS  57   2.518 -11.351   0.926
  440   2HD   LYS  57          3HD       LYS  57   3.652 -12.328   1.858
  441   1HE   LYS  57          2HE       LYS  57   0.997 -11.099   2.686
  442   2HE   LYS  57          3HE       LYS  57   1.510 -12.782   2.784
  443   1HZ   LYS  57          1HZ       LYS  57   3.062 -12.070   4.550
  444   2HZ   LYS  57          2HZ       LYS  57   2.412 -10.546   4.495
  445   3HZ   LYS  57          3HZ       LYS  57   1.482 -11.818   4.932
  446    H    THR  58           H        THR  58   5.359  -6.231   0.269
  447    HA   THR  58           HA       THR  58   6.763  -6.700  -2.265
  448    HB   THR  58           HB       THR  58   6.621  -4.335  -2.535
  449    HG1  THR  58           1HG      THR  58   5.491  -4.122   0.064
  450   1HG2  THR  58          1HG2      THR  58   4.195  -3.994  -2.273
  451   2HG2  THR  58          2HG2      THR  58   4.576  -5.593  -2.960
  452   3HG2  THR  58          3HG2      THR  58   4.102  -5.430  -1.254
  453    H    GLY  59           H        GLY  59   7.636  -5.797   1.009
  454   1HA   GLY  59          2HA       GLY  59   9.465  -5.104   1.989
  455   2HA   GLY  59          3HA       GLY  59  10.373  -6.173   0.892
  456    H    LYS  60           H        LYS  60   8.490  -3.229   0.047
  457    HA   LYS  60           HA       LYS  60  10.949  -1.860  -0.909
  458   1HB   LYS  60          2HB       LYS  60   8.184  -0.694  -0.578
  459   2HB   LYS  60          3HB       LYS  60   9.484  -0.067  -1.585
  460   1HG   LYS  60          2HG       LYS  60   7.752  -2.497  -2.073
  461   2HG   LYS  60          3HG       LYS  60   7.814  -1.011  -3.008
  462   1HD   LYS  60          2HD       LYS  60   9.909  -3.221  -2.892
  463   2HD   LYS  60          3HD       LYS  60   8.897  -2.729  -4.251
  464   1HE   LYS  60          2HE       LYS  60  10.042  -0.356  -3.959
  465   2HE   LYS  60          3HE       LYS  60  11.269  -1.229  -3.036
  466   1HZ   LYS  60          1HZ       LYS  60  11.958  -1.050  -5.239
  467   2HZ   LYS  60          2HZ       LYS  60  11.495  -2.630  -5.099
  468   3HZ   LYS  60          3HZ       LYS  60  10.526  -1.504  -5.856
  469    H    THR  61           H        THR  61  10.928   0.611  -0.068
  470    HA   THR  61           HA       THR  61  11.213   0.681   2.773
  471    HB   THR  61           HB       THR  61  10.939   2.990   0.929
  472    HG1  THR  61           1HG      THR  61  13.200   1.306   1.209
  473   1HG2  THR  61          1HG2      THR  61  12.787   2.490   3.313
  474   2HG2  THR  61          2HG2      THR  61  12.734   3.972   2.336
  475   3HG2  THR  61          3HG2      THR  61  11.336   3.515   3.324
  476    H    VAL  62           H        VAL  62   8.869  -0.314   2.833
  477    HA   VAL  62           HA       VAL  62   6.693   1.610   2.586
  478    HB   VAL  62           HB       VAL  62   6.258  -0.660   2.019
  479   1HG1  VAL  62          1HG1      VAL  62   7.777  -1.880   3.572
  480   2HG1  VAL  62          2HG1      VAL  62   6.724  -1.427   4.932
  481   3HG1  VAL  62          3HG1      VAL  62   6.109  -2.465   3.639
  482   1HG2  VAL  62          1HG2      VAL  62   4.755   0.053   4.571
  483   2HG2  VAL  62          2HG2      VAL  62   4.428   0.747   2.970
  484   3HG2  VAL  62          3HG2      VAL  62   4.192  -0.986   3.251
  485    H    SER  63           H        SER  63   6.015   2.987   4.097
  486    HA   SER  63           HA       SER  63   6.542   2.475   6.974
  487   1HB   SER  63          2HB       SER  63   8.307   4.009   6.087
  488   2HB   SER  63          3HB       SER  63   7.034   5.120   5.537
  489    HG   SER  63           HG       SER  63   7.629   4.327   8.207
  490    H    TYR  64           H        TYR  64   4.690   2.771   8.087
  491    HA   TYR  64           HA       TYR  64   2.305   3.549   6.571
  492   1HB   TYR  64          2HB       TYR  64   2.281   1.447   7.832
  493   2HB   TYR  64          3HB       TYR  64   2.639   2.317   9.326
  494    HD1  TYR  64           HD1      TYR  64   0.190   2.980   6.520
  495    HD2  TYR  64           HD2      TYR  64   0.721   2.206  10.730
  496    HE1  TYR  64           HE1      TYR  64  -1.990   3.962   6.985
  497    HE2  TYR  64           HE2      TYR  64  -1.606   2.945  11.139
  498    HH   TYR  64           HH       TYR  64  -3.109   4.993   8.952
  499    H    LEU  65           H        LEU  65   1.192   5.410   6.892
  500    HA   LEU  65           HA       LEU  65   2.190   7.386   8.874
  501   1HB   LEU  65          2HB       LEU  65   0.650   7.715   6.304
  502   2HB   LEU  65          3HB       LEU  65   0.850   8.982   7.513
  503    HG   LEU  65           HG       LEU  65   3.439   8.301   7.350
  504   1HD1  LEU  65          1HD1      LEU  65   2.418   7.680   4.553
  505   2HD1  LEU  65          2HD1      LEU  65   4.110   7.759   5.109
  506   3HD1  LEU  65          3HD1      LEU  65   3.050   6.480   5.699
  507   1HD2  LEU  65          1HD2      LEU  65   1.961  10.072   5.385
  508   2HD2  LEU  65          2HD2      LEU  65   2.553  10.504   7.010
  509   3HD2  LEU  65          3HD2      LEU  65   3.710  10.114   5.717
  510    H    GLY  66           H        GLY  66   0.029   8.883   9.385
  511   1HA   GLY  66          2HA       GLY  66  -1.205   7.549  11.465
  512   2HA   GLY  66          3HA       GLY  66  -1.821   9.024  10.705
  513    H    LEU  67           H        LEU  67  -3.585   7.369  11.852
  514    HA   LEU  67           HA       LEU  67  -4.986   5.823   9.743
  515   1HB   LEU  67          2HB       LEU  67  -4.467   4.683  11.840
  516   2HB   LEU  67          3HB       LEU  67  -5.227   5.959  12.794
  517    HG   LEU  67           HG       LEU  67  -6.855   4.612  10.670
  518   1HD1  LEU  67          1HD1      LEU  67  -6.210   3.361  13.385
  519   2HD1  LEU  67          2HD1      LEU  67  -7.436   2.761  12.251
  520   3HD1  LEU  67          3HD1      LEU  67  -5.721   2.718  11.804
  521   1HD2  LEU  67          1HD2      LEU  67  -7.917   6.416  12.030
  522   2HD2  LEU  67          2HD2      LEU  67  -8.673   4.857  12.349
  523   3HD2  LEU  67          3HD2      LEU  67  -7.514   5.530  13.511
  524    H    GLU  68           H        GLU  68  -6.832   6.713   8.894
  525    HA   GLU  68           HA       GLU  68  -8.135   8.983  10.330
  526   1HB   GLU  68          2HB       GLU  68  -7.287   9.997   8.409
  527   2HB   GLU  68          3HB       GLU  68  -7.539   8.579   7.398
  528   1HG   GLU  68          2HG       GLU  68  -9.106  10.394   6.842
  529   2HG   GLU  68          3HG       GLU  68  -9.972   8.962   7.412
  Start of MODEL    2
    1   1H    MET   1           H1       MET   1 -12.230   1.742   5.316
    2   2H    MET   1           H2       MET   1 -12.800   2.677   4.035
    3   3H    MET   1           H3       MET   1 -11.754   3.291   5.050
    4    HA   MET   1           HA       MET   1 -14.162   3.923   5.237
    5   1HB   MET   1          2HB       MET   1 -14.959   1.638   5.607
    6   2HB   MET   1          3HB       MET   1 -14.084   1.533   7.134
    7   1HG   MET   1          2HG       MET   1 -15.364   3.477   7.997
    8   2HG   MET   1          3HG       MET   1 -16.271   3.552   6.483
    9   1HE   MET   1          1HE       MET   1 -18.448   0.295   6.676
   10   2HE   MET   1          2HE       MET   1 -18.108   1.782   5.762
   11   3HE   MET   1          3HE       MET   1 -16.905   0.472   5.832
   12    HA   PRO   2           HA       PRO   2 -10.918   5.433   8.288
   13   1HB   PRO   2          2HB       PRO   2  -8.793   3.831   8.646
   14   2HB   PRO   2          3HB       PRO   2 -10.119   3.863   9.865
   15   1HG   PRO   2          2HG       PRO   2  -9.627   1.857   7.632
   16   2HG   PRO   2          3HG       PRO   2 -10.057   1.504   9.328
   17   1HD   PRO   2          2HD       PRO   2 -11.883   1.529   7.326
   18   2HD   PRO   2          3HD       PRO   2 -12.312   2.095   8.957
   19    H    LYS   3           H        LYS   3  -8.704   5.942   7.423
   20    HA   LYS   3           HA       LYS   3  -8.094   4.835   4.721
   21   1HB   LYS   3          2HB       LYS   3  -9.003   7.075   4.502
   22   2HB   LYS   3          3HB       LYS   3  -7.913   7.699   5.727
   23   1HG   LYS   3          2HG       LYS   3  -6.517   6.412   3.406
   24   2HG   LYS   3          3HG       LYS   3  -7.554   7.773   2.972
   25   1HD   LYS   3          2HD       LYS   3  -6.523   9.167   4.718
   26   2HD   LYS   3          3HD       LYS   3  -5.391   7.858   5.111
   27   1HE   LYS   3          2HE       LYS   3  -4.384   8.040   2.866
   28   2HE   LYS   3          3HE       LYS   3  -5.562   9.285   2.408
   29   1HZ   LYS   3          1HZ       LYS   3  -3.730   9.595   4.698
   30   2HZ   LYS   3          2HZ       LYS   3  -3.342  10.178   3.214
   31   3HZ   LYS   3          3HZ       LYS   3  -4.659  10.718   4.133
   32    H    HIS   4           H        HIS   4  -5.926   4.420   4.362
   33    HA   HIS   4           HA       HIS   4  -4.075   4.560   6.717
   34   1HB   HIS   4          2HB       HIS   4  -4.646   2.180   4.916
   35   2HB   HIS   4          3HB       HIS   4  -3.408   2.249   6.167
   36    HD1  HIS   4           1HD      HIS   4  -5.868   3.720   8.130
   37    HD2  HIS   4           2HD      HIS   4  -5.664   0.006   6.159
   38    HE1  HIS   4           1HE      HIS   4  -7.396   2.101   9.412
   39    H    GLU   5           H        GLU   5  -2.644   6.076   5.889
   40    HA   GLU   5           HA       GLU   5  -1.865   5.847   3.045
   41   1HB   GLU   5          2HB       GLU   5  -2.389   8.048   4.119
   42   2HB   GLU   5          3HB       GLU   5  -0.878   7.927   5.012
   43   1HG   GLU   5          2HG       GLU   5   0.380   7.751   2.875
   44   2HG   GLU   5          3HG       GLU   5  -1.135   7.754   1.967
   45    H    PHE   6           H        PHE   6  -0.039   4.939   2.396
   46    HA   PHE   6           HA       PHE   6   2.163   4.402   4.355
   47   1HB   PHE   6          2HB       PHE   6   1.188   2.771   2.000
   48   2HB   PHE   6          3HB       PHE   6   2.731   2.533   2.803
   49    HD1  PHE   6           1HD      PHE   6  -1.017   2.554   3.566
   50    HD2  PHE   6           2HD      PHE   6   2.880   1.087   4.741
   51    HE1  PHE   6           1HE      PHE   6  -2.039   0.706   4.797
   52    HE2  PHE   6           2HE      PHE   6   1.880  -0.987   5.430
   53    HZ   PHE   6           HZ       PHE   6  -0.638  -1.239   5.425
   54    H    SER   7           H        SER   7   4.012   5.418   3.805
   55    HA   SER   7           HA       SER   7   4.302   6.528   1.039
   56   1HB   SER   7          2HB       SER   7   4.445   8.120   2.930
   57   2HB   SER   7          3HB       SER   7   5.890   7.308   3.515
   58    HG   SER   7           HG       SER   7   6.813   7.804   1.405
   59    H    VAL   8           H        VAL   8   5.933   5.700  -0.193
   60    HA   VAL   8           HA       VAL   8   7.256   3.250   0.873
   61    HB   VAL   8           HB       VAL   8   5.570   3.390  -1.659
   62   1HG1  VAL   8          1HG1      VAL   8   6.663   1.092   0.016
   63   2HG1  VAL   8          2HG1      VAL   8   5.426   0.871  -1.236
   64   3HG1  VAL   8          3HG1      VAL   8   7.013   1.435  -1.687
   65   1HG2  VAL   8          1HG2      VAL   8   4.685   2.612   1.138
   66   2HG2  VAL   8          2HG2      VAL   8   3.966   3.825   0.051
   67   3HG2  VAL   8          3HG2      VAL   8   3.822   2.116  -0.324
   68    H    ASP   9           H        ASP   9   8.584   2.322  -1.012
   69    HA   ASP   9           HA       ASP   9   9.879   4.431  -2.701
   70   1HB   ASP   9          2HB       ASP   9  11.664   3.119  -1.905
   71   2HB   ASP   9          3HB       ASP   9  10.743   1.615  -2.015
   72    H    MET  10           H        MET  10   8.643   4.733  -4.414
   73    HA   MET  10           HA       MET  10   8.192   2.402  -6.048
   74   1HB   MET  10          2HB       MET  10   5.963   4.471  -5.833
   75   2HB   MET  10          3HB       MET  10   6.021   3.063  -6.918
   76   1HG   MET  10          2HG       MET  10   6.116   1.575  -4.900
   77   2HG   MET  10          3HG       MET  10   5.821   2.998  -3.896
   78   1HE   MET  10          1HE       MET  10   2.160   3.935  -5.040
   79   2HE   MET  10          2HE       MET  10   3.563   4.410  -4.056
   80   3HE   MET  10          3HE       MET  10   3.634   4.526  -5.835
   81    H    THR  11           H        THR  11  10.352   3.523  -6.305
   82    HA   THR  11           HA       THR  11  10.387   6.007  -7.717
   83    HB   THR  11           HB       THR  11  12.796   5.160  -8.269
   84    HG1  THR  11           1HG      THR  11  12.149   3.337  -6.189
   85   1HG2  THR  11          1HG2      THR  11  11.818   5.568  -5.410
   86   2HG2  THR  11          2HG2      THR  11  13.514   5.626  -5.931
   87   3HG2  THR  11          3HG2      THR  11  12.358   6.820  -6.548
   88    H    CYS  12           HN       CYS  12   9.616   2.820  -8.922
   89    HA   CYS  12           HA       CYS  12   9.175   4.131 -11.496
   90   1HB   CYS  12          2HB       CYS  12   9.957   2.078 -12.718
   91   2HB   CYS  12          3HB       CYS  12  11.232   3.081 -12.032
   92    H    GLY  13           H        GLY  13   7.569   3.135 -12.708
   93   1HA   GLY  13          2HA       GLY  13   5.137   2.545 -11.703
   94   2HA   GLY  13          3HA       GLY  13   5.740   1.843 -13.199
   95    H    GLY  14           H        GLY  14   7.611   0.126 -12.490
   96   1HA   GLY  14          2HA       GLY  14   6.360  -2.199 -12.042
   97   2HA   GLY  14          3HA       GLY  14   8.083  -1.922 -11.665
   98    H    CYS  15           HN       CYS  15   7.675  -0.115  -9.421
   99    HA   CYS  15           HA       CYS  15   7.336  -2.105  -7.338
  100   1HB   CYS  15          2HB       CYS  15   7.401   0.903  -7.284
  101   2HB   CYS  15          3HB       CYS  15   7.544  -0.137  -5.848
  102    H    ALA  16           H        ALA  16   5.287   0.455  -8.764
  103    HA   ALA  16           HA       ALA  16   3.165   0.215  -6.793
  104   1HB   ALA  16          1HB       ALA  16   1.899   1.589  -8.333
  105   2HB   ALA  16          2HB       ALA  16   3.525   2.269  -8.107
  106   3HB   ALA  16          3HB       ALA  16   3.117   1.387  -9.601
  107    H    GLU  17           H        GLU  17   3.819  -1.080 -10.062
  108    HA   GLU  17           HA       GLU  17   1.448  -2.601 -10.375
  109   1HB   GLU  17          2HB       GLU  17   4.289  -3.146 -11.321
  110   2HB   GLU  17          3HB       GLU  17   2.861  -3.979 -11.927
  111   1HG   GLU  17          2HG       GLU  17   1.998  -2.033 -12.966
  112   2HG   GLU  17          3HG       GLU  17   3.026  -0.935 -12.043
  113    H    ALA  18           H        ALA  18   4.609  -3.541  -8.926
  114    HA   ALA  18           HA       ALA  18   3.914  -6.140  -8.092
  115   1HB   ALA  18          1HB       ALA  18   5.761  -5.925  -6.493
  116   2HB   ALA  18          2HB       ALA  18   6.222  -5.257  -8.075
  117   3HB   ALA  18          3HB       ALA  18   5.798  -4.172  -6.732
  118    H    VAL  19           H        VAL  19   3.693  -3.023  -6.219
  119    HA   VAL  19           HA       VAL  19   2.576  -4.081  -3.895
  120    HB   VAL  19           HB       VAL  19   2.384  -1.396  -5.309
  121   1HG1  VAL  19          1HG1      VAL  19   1.032  -2.372  -2.809
  122   2HG1  VAL  19          2HG1      VAL  19   1.384  -0.632  -3.081
  123   3HG1  VAL  19          3HG1      VAL  19   0.319  -1.485  -4.198
  124   1HG2  VAL  19          1HG2      VAL  19   3.598  -2.078  -2.607
  125   2HG2  VAL  19          2HG2      VAL  19   4.542  -2.121  -4.112
  126   3HG2  VAL  19          3HG2      VAL  19   3.810  -0.604  -3.561
  127    H    SER  20           H        SER  20   0.980  -2.919  -6.892
  128    HA   SER  20           HA       SER  20  -1.671  -3.307  -6.018
  129   1HB   SER  20          2HB       SER  20  -0.668  -2.212  -8.226
  130   2HB   SER  20          3HB       SER  20  -0.792  -3.826  -8.909
  131    HG   SER  20           HG       SER  20  -2.671  -2.586  -9.295
  132    H    ARG  21           H        ARG  21   0.471  -5.546  -7.775
  133    HA   ARG  21           HA       ARG  21  -1.234  -7.790  -7.767
  134   1HB   ARG  21          2HB       ARG  21   0.501  -8.597  -8.828
  135   2HB   ARG  21          3HB       ARG  21   1.487  -7.230  -8.368
  136   1HG   ARG  21          2HG       ARG  21   2.263  -8.400  -6.344
  137   2HG   ARG  21          3HG       ARG  21   1.259  -9.804  -6.754
  138   1HD   ARG  21          2HD       ARG  21   2.503 -10.112  -8.845
  139   2HD   ARG  21          3HD       ARG  21   3.400  -8.599  -8.560
  140    HE   ARG  21           HE       ARG  21   3.785 -10.333  -6.339
  141   1HH1  ARG  21          2HH2      ARG  21   4.683 -10.026  -9.732
  142   2HH1  ARG  21          1HH2      ARG  21   6.221 -10.815  -9.579
  143   1HH2  ARG  21          2HH1      ARG  21   5.837 -11.397  -6.080
  144   2HH2  ARG  21          1HH1      ARG  21   6.880 -11.624  -7.444
  145    H    VAL  22           H        VAL  22   0.907  -6.621  -5.171
  146    HA   VAL  22           HA       VAL  22   0.537  -8.837  -3.417
  147    HB   VAL  22           HB       VAL  22   2.082  -6.454  -3.541
  148   1HG1  VAL  22          1HG1      VAL  22   0.675  -6.578  -0.846
  149   2HG1  VAL  22          2HG1      VAL  22   2.114  -5.641  -1.254
  150   3HG1  VAL  22          3HG1      VAL  22   0.594  -5.230  -2.009
  151   1HG2  VAL  22          1HG2      VAL  22   2.088  -8.618  -1.450
  152   2HG2  VAL  22          2HG2      VAL  22   2.918  -8.663  -3.033
  153   3HG2  VAL  22          3HG2      VAL  22   3.393  -7.462  -1.815
  154    H    LEU  23           H        LEU  23  -1.007  -5.688  -3.616
  155    HA   LEU  23           HA       LEU  23  -2.748  -6.107  -1.320
  156   1HB   LEU  23          2HB       LEU  23  -2.250  -3.976  -3.371
  157   2HB   LEU  23          3HB       LEU  23  -3.795  -3.919  -2.621
  158    HG   LEU  23           HG       LEU  23  -1.107  -4.020  -1.143
  159   1HD1  LEU  23          1HD1      LEU  23  -2.966  -1.666  -1.572
  160   2HD1  LEU  23          2HD1      LEU  23  -1.363  -1.647  -0.791
  161   3HD1  LEU  23          3HD1      LEU  23  -1.496  -1.932  -2.536
  162   1HD2  LEU  23          1HD2      LEU  23  -2.548  -3.137   0.746
  163   2HD2  LEU  23          2HD2      LEU  23  -3.959  -3.477  -0.291
  164   3HD2  LEU  23          3HD2      LEU  23  -2.938  -4.803   0.305
  165    H    ASN  24           H        ASN  24  -3.159  -6.359  -4.874
  166    HA   ASN  24           HA       ASN  24  -5.902  -7.057  -4.834
  167   1HB   ASN  24          2HB       ASN  24  -4.660  -6.633  -6.906
  168   2HB   ASN  24          3HB       ASN  24  -3.690  -8.091  -6.652
  169   1HD2  ASN  24          1HD2      ASN  24  -6.918  -8.782  -5.603
  170   2HD2  ASN  24          2HD2      ASN  24  -7.452  -9.450  -7.131
  171    H    LYS  25           H        LYS  25  -2.930  -9.065  -4.350
  172    HA   LYS  25           HA       LYS  25  -4.329 -11.447  -3.816
  173   1HB   LYS  25          2HB       LYS  25  -1.603 -10.585  -3.697
  174   2HB   LYS  25          3HB       LYS  25  -1.959 -11.326  -2.145
  175   1HG   LYS  25          2HG       LYS  25  -2.544 -12.568  -4.872
  176   2HG   LYS  25          3HG       LYS  25  -1.079 -12.875  -3.922
  177   1HD   LYS  25          2HD       LYS  25  -2.370 -13.914  -2.117
  178   2HD   LYS  25          3HD       LYS  25  -3.891 -13.429  -2.845
  179   1HE   LYS  25          2HE       LYS  25  -3.570 -15.774  -3.254
  180   2HE   LYS  25          3HE       LYS  25  -3.559 -14.879  -4.777
  181   1HZ   LYS  25          1HZ       LYS  25  -1.163 -15.041  -4.784
  182   2HZ   LYS  25          2HZ       LYS  25  -1.167 -15.852  -3.348
  183   3HZ   LYS  25          3HZ       LYS  25  -1.835 -16.535  -4.685
  184    H    LEU  26           H        LEU  26  -3.881  -8.666  -1.674
  185    HA   LEU  26           HA       LEU  26  -4.815  -9.903   0.751
  186   1HB   LEU  26          2HB       LEU  26  -3.850  -7.504   0.418
  187   2HB   LEU  26          3HB       LEU  26  -5.468  -7.063  -0.119
  188    HG   LEU  26           HG       LEU  26  -5.306  -6.357   2.038
  189   1HD1  LEU  26          1HD1      LEU  26  -7.421  -7.514   1.295
  190   2HD1  LEU  26          2HD1      LEU  26  -6.928  -8.869   2.349
  191   3HD1  LEU  26          3HD1      LEU  26  -7.179  -7.254   3.039
  192   1HD2  LEU  26          1HD2      LEU  26  -3.479  -7.667   2.879
  193   2HD2  LEU  26          2HD2      LEU  26  -4.861  -7.734   3.976
  194   3HD2  LEU  26          3HD2      LEU  26  -4.488  -9.135   2.944
  195    H    GLY  27           H        GLY  27  -6.488  -8.126  -1.880
  196   1HA   GLY  27          2HA       GLY  27  -8.314  -9.258  -3.014
  197   2HA   GLY  27          3HA       GLY  27  -8.924  -9.850  -1.477
  198    H    GLY  28           H        GLY  28  -9.996  -8.354  -0.026
  199   1HA   GLY  28          2HA       GLY  28 -11.740  -6.674  -1.605
  200   2HA   GLY  28          3HA       GLY  28 -11.875  -7.055   0.116
  201    H    VAL  29           H        VAL  29  -9.206  -5.448  -1.633
  202    HA   VAL  29           HA       VAL  29  -9.348  -3.179   0.308
  203    HB   VAL  29           HB       VAL  29  -7.023  -2.719  -0.493
  204   1HG1  VAL  29          1HG1      VAL  29  -5.990  -4.606   0.729
  205   2HG1  VAL  29          2HG1      VAL  29  -7.409  -3.967   1.594
  206   3HG1  VAL  29          3HG1      VAL  29  -7.530  -5.475   0.663
  207   1HG2  VAL  29          1HG2      VAL  29  -7.270  -4.099  -2.676
  208   2HG2  VAL  29          2HG2      VAL  29  -5.782  -4.310  -1.732
  209   3HG2  VAL  29          3HG2      VAL  29  -7.065  -5.535  -1.650
  210    H    LYS  30           H        LYS  30  -9.014  -0.995  -0.532
  211    HA   LYS  30           HA       LYS  30  -8.798  -0.805  -3.407
  212   1HB   LYS  30          2HB       LYS  30 -11.169   0.091  -2.322
  213   2HB   LYS  30          3HB       LYS  30 -10.172   1.536  -2.176
  214   1HG   LYS  30          2HG       LYS  30 -10.776  -0.068  -4.712
  215   2HG   LYS  30          3HG       LYS  30 -11.468   1.475  -4.240
  216   1HD   LYS  30          2HD       LYS  30  -9.951   2.439  -5.542
  217   2HD   LYS  30          3HD       LYS  30  -8.783   2.149  -4.270
  218   1HE   LYS  30          2HE       LYS  30  -8.223  -0.081  -5.459
  219   2HE   LYS  30          3HE       LYS  30  -9.401   0.363  -6.692
  220   1HZ   LYS  30          1HZ       LYS  30  -8.037   2.328  -7.168
  221   2HZ   LYS  30          2HZ       LYS  30  -6.911   1.828  -6.077
  222   3HZ   LYS  30          3HZ       LYS  30  -7.214   0.923  -7.399
  223    H    TYR  31           H        TYR  31  -7.190   0.654  -3.877
  224    HA   TYR  31           HA       TYR  31  -5.880   2.160  -1.774
  225   1HB   TYR  31          2HB       TYR  31  -3.702   1.029  -2.348
  226   2HB   TYR  31          3HB       TYR  31  -4.852   0.025  -1.471
  227    HD1  TYR  31           HD1      TYR  31  -6.203  -1.747  -2.674
  228    HD2  TYR  31           HD2      TYR  31  -2.863   0.284  -4.483
  229    HE1  TYR  31           HE1      TYR  31  -6.195  -3.401  -4.533
  230    HE2  TYR  31           HE2      TYR  31  -2.809  -1.421  -6.272
  231    HH   TYR  31           HH       TYR  31  -3.795  -3.329  -7.157
  232    H    ASP  32           H        ASP  32  -5.192   4.050  -2.644
  233    HA   ASP  32           HA       ASP  32  -5.104   4.241  -5.622
  234   1HB   ASP  32          2HB       ASP  32  -6.691   5.809  -4.498
  235   2HB   ASP  32          3HB       ASP  32  -5.320   6.526  -3.633
  236    H    ILE  33           H        ILE  33  -3.321   5.512  -6.470
  237    HA   ILE  33           HA       ILE  33  -0.792   4.571  -5.139
  238    HB   ILE  33           HB       ILE  33  -2.073   3.990  -7.825
  239   1HG1  ILE  33          2HG1      ILE  33  -0.967   1.970  -5.820
  240   2HG1  ILE  33          3HG1      ILE  33  -2.619   2.588  -5.687
  241   1HG2  ILE  33          1HG2      ILE  33   0.266   4.429  -8.270
  242   2HG2  ILE  33          2HG2      ILE  33   0.758   3.329  -6.959
  243   3HG2  ILE  33          3HG2      ILE  33  -0.066   2.711  -8.417
  244   1HD1  ILE  33          1HD1      ILE  33  -3.030   1.971  -8.113
  245   2HD1  ILE  33          2HD1      ILE  33  -1.545   0.988  -8.007
  246   3HD1  ILE  33          3HD1      ILE  33  -2.932   0.673  -6.946
  247    H    ASP  34           H        ASP  34   0.418   6.402  -4.957
  248    HA   ASP  34           HA       ASP  34   0.487   8.311  -7.274
  249   1HB   ASP  34          2HB       ASP  34  -0.221   9.234  -5.060
  250   2HB   ASP  34          3HB       ASP  34   1.375   8.777  -4.429
  251    H    LEU  35           H        LEU  35   2.141   7.793  -8.565
  252    HA   LEU  35           HA       LEU  35   4.559   6.445  -7.603
  253   1HB   LEU  35          2HB       LEU  35   3.484   7.307 -10.262
  254   2HB   LEU  35          3HB       LEU  35   5.233   7.254 -10.040
  255    HG   LEU  35           HG       LEU  35   4.183   5.257 -11.091
  256   1HD1  LEU  35          1HD1      LEU  35   5.292   3.455  -9.725
  257   2HD1  LEU  35          2HD1      LEU  35   6.328   4.857 -10.023
  258   3HD1  LEU  35          3HD1      LEU  35   5.548   4.642  -8.448
  259   1HD2  LEU  35          1HD2      LEU  35   2.929   4.654  -8.399
  260   2HD2  LEU  35          2HD2      LEU  35   2.062   5.330  -9.800
  261   3HD2  LEU  35          3HD2      LEU  35   2.799   3.726  -9.914
  262    HA   PRO  36           HA       PRO  36   6.417  10.919  -8.785
  263   1HB   PRO  36          2HB       PRO  36   3.840  12.262  -7.894
  264   2HB   PRO  36          3HB       PRO  36   5.163  12.963  -8.875
  265   1HG   PRO  36          2HG       PRO  36   2.985  11.945 -10.108
  266   2HG   PRO  36          3HG       PRO  36   4.611  11.521 -10.727
  267   1HD   PRO  36          2HD       PRO  36   2.748   9.864  -9.049
  268   2HD   PRO  36          3HD       PRO  36   3.839   9.395 -10.387
  269    H    ASN  37           H        ASN  37   4.015  10.522  -6.202
  270    HA   ASN  37           HA       ASN  37   5.872  11.618  -4.162
  271   1HB   ASN  37          2HB       ASN  37   3.131  11.955  -4.630
  272   2HB   ASN  37          3HB       ASN  37   3.157  10.853  -3.269
  273   1HD2  ASN  37          1HD2      ASN  37   3.696  14.050  -4.444
  274   2HD2  ASN  37          2HD2      ASN  37   4.273  14.773  -2.958
  275    H    LYS  38           H        LYS  38   5.323   8.628  -5.397
  276    HA   LYS  38           HA       LYS  38   5.461   6.500  -4.717
  277   1HB   LYS  38          2HB       LYS  38   7.561   7.682  -2.838
  278   2HB   LYS  38          3HB       LYS  38   7.367   6.000  -3.343
  279   1HG   LYS  38          2HG       LYS  38   9.033   6.664  -4.784
  280   2HG   LYS  38          3HG       LYS  38   7.577   6.890  -5.768
  281   1HD   LYS  38          2HD       LYS  38   7.666   9.344  -5.066
  282   2HD   LYS  38          3HD       LYS  38   9.210   9.001  -4.277
  283   1HE   LYS  38          2HE       LYS  38  10.185   8.345  -6.451
  284   2HE   LYS  38          3HE       LYS  38   8.597   8.453  -7.229
  285   1HZ   LYS  38          1HZ       LYS  38   9.827  10.404  -7.696
  286   2HZ   LYS  38          2HZ       LYS  38   8.563  10.795  -6.714
  287   3HZ   LYS  38          3HZ       LYS  38  10.085  10.723  -6.098
  288    H    LYS  39           H        LYS  39   3.174   6.775  -3.851
  289    HA   LYS  39           HA       LYS  39   3.109   6.104  -0.986
  290   1HB   LYS  39          2HB       LYS  39   2.144   8.654  -2.284
  291   2HB   LYS  39          3HB       LYS  39   1.024   7.946  -1.127
  292   1HG   LYS  39          2HG       LYS  39   2.610   8.017   0.647
  293   2HG   LYS  39          3HG       LYS  39   3.934   8.368  -0.474
  294   1HD   LYS  39          2HD       LYS  39   2.552  10.572  -1.008
  295   2HD   LYS  39          3HD       LYS  39   1.672  10.166   0.470
  296   1HE   LYS  39          2HE       LYS  39   3.479  11.642   1.106
  297   2HE   LYS  39          3HE       LYS  39   3.887  10.022   1.674
  298   1HZ   LYS  39          1HZ       LYS  39   5.124   9.945  -0.650
  299   2HZ   LYS  39          2HZ       LYS  39   5.021  11.553  -0.536
  300   3HZ   LYS  39          3HZ       LYS  39   5.815  10.693   0.649
  301    H    VAL  40           H        VAL  40   1.277   5.077  -0.309
  302    HA   VAL  40           HA       VAL  40  -0.640   4.153  -2.377
  303    HB   VAL  40           HB       VAL  40   0.596   2.508  -0.135
  304   1HG1  VAL  40          1HG1      VAL  40  -1.698   1.859  -0.719
  305   2HG1  VAL  40          2HG1      VAL  40  -1.258   1.786  -2.441
  306   3HG1  VAL  40          3HG1      VAL  40  -0.545   0.637  -1.287
  307   1HG2  VAL  40          1HG2      VAL  40   2.277   2.945  -1.902
  308   2HG2  VAL  40          2HG2      VAL  40   1.761   1.265  -1.869
  309   3HG2  VAL  40          3HG2      VAL  40   1.127   2.358  -3.125
  310    H    CYS  41           H        CYS  41  -2.545   5.043  -1.773
  311    HA   CYS  41           HA       CYS  41  -3.178   5.557   1.131
  312   1HB   CYS  41          2HB       CYS  41  -4.411   6.569  -1.460
  313   2HB   CYS  41          3HB       CYS  41  -5.095   6.855   0.149
  314    HG   CYS  41           HG       CYS  41  -2.078   7.688  -0.857
  315    H    ILE  42           H        ILE  42  -3.734   3.575   1.870
  316    HA   ILE  42           HA       ILE  42  -5.596   2.000   0.315
  317    HB   ILE  42           HB       ILE  42  -4.051   1.721   2.871
  318   1HG1  ILE  42          2HG1      ILE  42  -4.395  -0.502   0.937
  319   2HG1  ILE  42          3HG1      ILE  42  -3.568   0.905   0.323
  320   1HG2  ILE  42          1HG2      ILE  42  -6.375  -0.130   2.225
  321   2HG2  ILE  42          2HG2      ILE  42  -5.174  -0.315   3.529
  322   3HG2  ILE  42          3HG2      ILE  42  -6.316   1.006   3.589
  323   1HD1  ILE  42          1HD1      ILE  42  -2.031  -0.817   1.299
  324   2HD1  ILE  42          2HD1      ILE  42  -1.836   0.832   1.910
  325   3HD1  ILE  42          3HD1      ILE  42  -2.660  -0.392   2.894
  326    H    GLU  43           H        GLU  43  -7.766   1.752   0.698
  327    HA   GLU  43           HA       GLU  43  -8.988   2.874   3.090
  328   1HB   GLU  43          2HB       GLU  43  -8.842   4.608   0.993
  329   2HB   GLU  43          3HB       GLU  43 -10.336   3.773   0.558
  330   1HG   GLU  43          2HG       GLU  43  -9.783   5.042   3.296
  331   2HG   GLU  43          3HG       GLU  43 -10.579   5.883   1.960
  332    H    SER  44           H        SER  44 -10.053   1.102   3.753
  333    HA   SER  44           HA       SER  44 -12.195   0.092   2.232
  334   1HB   SER  44          2HB       SER  44 -10.489  -1.362   1.209
  335   2HB   SER  44          3HB       SER  44 -10.009  -1.955   2.818
  336    HG   SER  44           HG       SER  44 -11.642  -3.255   1.606
  337    H    GLU  45           H        GLU  45 -13.025  -1.926   3.654
  338    HA   GLU  45           HA       GLU  45 -12.940  -1.135   6.542
  339   1HB   GLU  45          2HB       GLU  45 -14.906  -2.763   6.680
  340   2HB   GLU  45          3HB       GLU  45 -15.168  -1.169   5.979
  341   1HG   GLU  45          2HG       GLU  45 -15.125  -2.088   3.701
  342   2HG   GLU  45          3HG       GLU  45 -14.766  -3.704   4.353
  343    H    HIS  46           H        HIS  46 -10.629  -1.940   5.984
  344    HA   HIS  46           HA       HIS  46 -10.452  -4.754   6.949
  345   1HB   HIS  46          2HB       HIS  46  -8.812  -3.417   4.758
  346   2HB   HIS  46          3HB       HIS  46  -8.179  -4.729   5.754
  347    HD1  HIS  46           1HD      HIS  46  -9.608  -7.119   5.641
  348    HD2  HIS  46           2HD      HIS  46  -9.584  -4.349   2.501
  349    HE1  HIS  46           1HE      HIS  46  -9.881  -8.448   3.479
  350    H    SER  47           H        SER  47  -8.673  -5.038   8.429
  351    HA   SER  47           HA       SER  47  -7.924  -2.703   9.926
  352   1HB   SER  47          2HB       SER  47  -6.506  -4.668  10.992
  353   2HB   SER  47          3HB       SER  47  -8.230  -4.483  11.275
  354    HG   SER  47           HG       SER  47  -6.949  -6.358   9.582
  355    H    MET  48           H        MET  48  -6.197  -1.494   9.766
  356    HA   MET  48           HA       MET  48  -4.356  -1.510   7.784
  357   1HB   MET  48          2HB       MET  48  -2.993  -0.019   9.050
  358   2HB   MET  48          3HB       MET  48  -4.681   0.309   9.424
  359   1HG   MET  48          2HG       MET  48  -4.373  -1.242  11.424
  360   2HG   MET  48          3HG       MET  48  -2.623  -1.044  11.144
  361   1HE   MET  48          1HE       MET  48  -2.331  -0.195  13.625
  362   2HE   MET  48          2HE       MET  48  -3.279   1.138  14.329
  363   3HE   MET  48          3HE       MET  48  -4.081  -0.393  13.904
  364    H    ASP  49           H        ASP  49  -3.989  -3.323  10.861
  365    HA   ASP  49           HA       ASP  49  -1.494  -4.479  10.748
  366   1HB   ASP  49          2HB       ASP  49  -2.844  -5.241  12.503
  367   2HB   ASP  49          3HB       ASP  49  -4.268  -5.447  11.476
  368    H    THR  50           H        THR  50  -4.341  -5.787   9.096
  369    HA   THR  50           HA       THR  50  -3.014  -7.933   7.932
  370    HB   THR  50           HB       THR  50  -5.633  -6.721   6.981
  371    HG1  THR  50           1HG      THR  50  -4.943  -7.704   9.547
  372   1HG2  THR  50          1HG2      THR  50  -4.895  -8.907   6.005
  373   2HG2  THR  50          2HG2      THR  50  -4.851  -9.594   7.643
  374   3HG2  THR  50          3HG2      THR  50  -6.390  -9.037   6.949
  375    H    LEU  51           H        LEU  51  -3.785  -4.667   6.743
  376    HA   LEU  51           HA       LEU  51  -2.952  -5.047   4.002
  377   1HB   LEU  51          2HB       LEU  51  -3.404  -2.673   5.849
  378   2HB   LEU  51          3HB       LEU  51  -2.725  -2.485   4.265
  379    HG   LEU  51           HG       LEU  51  -5.318  -2.271   4.827
  380   1HD1  LEU  51          1HD1      LEU  51  -4.043  -2.027   2.621
  381   2HD1  LEU  51          2HD1      LEU  51  -4.309  -3.745   2.341
  382   3HD1  LEU  51          3HD1      LEU  51  -5.694  -2.616   2.420
  383   1HD2  LEU  51          1HD2      LEU  51  -5.825  -4.489   5.624
  384   2HD2  LEU  51          2HD2      LEU  51  -6.630  -4.193   4.077
  385   3HD2  LEU  51          3HD2      LEU  51  -5.211  -5.231   4.131
  386    H    LEU  52           H        LEU  52  -1.425  -3.394   6.804
  387    HA   LEU  52           HA       LEU  52   1.094  -2.884   5.974
  388   1HB   LEU  52          2HB       LEU  52  -0.043  -3.672   8.610
  389   2HB   LEU  52          3HB       LEU  52   1.684  -3.872   8.374
  390    HG   LEU  52           HG       LEU  52   1.649  -1.385   7.574
  391   1HD1  LEU  52          1HD1      LEU  52  -0.915  -1.332   7.566
  392   2HD1  LEU  52          2HD1      LEU  52  -0.839  -1.427   9.336
  393   3HD1  LEU  52          3HD1      LEU  52  -0.148  -0.041   8.478
  394   1HD2  LEU  52          1HD2      LEU  52   1.912  -0.638   9.892
  395   2HD2  LEU  52          2HD2      LEU  52   1.227  -2.180  10.464
  396   3HD2  LEU  52          3HD2      LEU  52   2.763  -2.159   9.562
  397    H    ALA  53           H        ALA  53   0.290  -6.001   7.598
  398    HA   ALA  53           HA       ALA  53   2.861  -7.089   7.068
  399   1HB   ALA  53          1HB       ALA  53   1.303  -7.932   8.822
  400   2HB   ALA  53          2HB       ALA  53   0.206  -8.536   7.562
  401   3HB   ALA  53          3HB       ALA  53   1.827  -9.245   7.747
  402    H    THR  54           H        THR  54   0.061  -6.865   4.917
  403    HA   THR  54           HA       THR  54   1.186  -8.821   3.078
  404    HB   THR  54           HB       THR  54  -1.280  -7.064   3.037
  405    HG1  THR  54           1HG      THR  54  -1.687  -8.652   4.347
  406   1HG2  THR  54          1HG2      THR  54  -0.253  -9.041   0.973
  407   2HG2  THR  54          2HG2      THR  54  -1.962  -8.604   1.147
  408   3HG2  THR  54          3HG2      THR  54  -0.773  -7.353   0.763
  409    H    LEU  55           H        LEU  55   0.927  -5.262   3.359
  410    HA   LEU  55           HA       LEU  55   1.936  -4.766   0.764
  411   1HB   LEU  55          2HB       LEU  55   0.853  -3.313   2.960
  412   2HB   LEU  55          3HB       LEU  55   2.455  -2.626   2.669
  413    HG   LEU  55           HG       LEU  55   0.096  -2.855   0.796
  414   1HD1  LEU  55          1HD1      LEU  55   1.645  -0.478   1.948
  415   2HD1  LEU  55          2HD1      LEU  55   0.256  -0.369   0.857
  416   3HD1  LEU  55          3HD1      LEU  55   0.051  -1.043   2.484
  417   1HD2  LEU  55          1HD2      LEU  55   2.968  -2.050   0.238
  418   2HD2  LEU  55          2HD2      LEU  55   1.940  -3.192  -0.662
  419   3HD2  LEU  55          3HD2      LEU  55   1.601  -1.457  -0.740
  420    H    LYS  56           H        LYS  56   3.328  -5.114   3.970
  421    HA   LYS  56           HA       LYS  56   6.062  -4.761   3.620
  422   1HB   LYS  56          2HB       LYS  56   4.378  -6.645   5.283
  423   2HB   LYS  56          3HB       LYS  56   6.135  -6.723   5.315
  424   1HG   LYS  56          2HG       LYS  56   6.300  -4.415   6.016
  425   2HG   LYS  56          3HG       LYS  56   4.598  -4.121   5.782
  426   1HD   LYS  56          2HD       LYS  56   5.303  -4.304   8.169
  427   2HD   LYS  56          3HD       LYS  56   4.008  -5.384   7.720
  428   1HE   LYS  56          2HE       LYS  56   5.638  -6.518   9.171
  429   2HE   LYS  56          3HE       LYS  56   5.558  -7.300   7.591
  430   1HZ   LYS  56          1HZ       LYS  56   7.565  -6.121   6.980
  431   2HZ   LYS  56          2HZ       LYS  56   7.633  -5.381   8.449
  432   3HZ   LYS  56          3HZ       LYS  56   7.816  -7.010   8.339
  433    H    LYS  57           H        LYS  57   4.098  -7.421   2.271
  434    HA   LYS  57           HA       LYS  57   6.280  -9.229   1.886
  435   1HB   LYS  57          2HB       LYS  57   3.696  -8.995   0.320
  436   2HB   LYS  57          3HB       LYS  57   4.809 -10.357   0.259
  437   1HG   LYS  57          2HG       LYS  57   4.395 -10.987   2.529
  438   2HG   LYS  57          3HG       LYS  57   3.591  -9.461   2.886
  439   1HD   LYS  57          2HD       LYS  57   1.771 -10.043   1.301
  440   2HD   LYS  57          3HD       LYS  57   2.499 -11.629   1.048
  441   1HE   LYS  57          2HE       LYS  57   1.970 -12.413   3.177
  442   2HE   LYS  57          3HE       LYS  57   1.986 -10.822   3.924
  443   1HZ   LYS  57          1HZ       LYS  57  -0.206 -11.832   3.763
  444   2HZ   LYS  57          2HZ       LYS  57  -0.188 -10.361   3.085
  445   3HZ   LYS  57          3HZ       LYS  57  -0.176 -11.709   2.129
  446    H    THR  58           H        THR  58   5.480  -6.259   0.188
  447    HA   THR  58           HA       THR  58   7.090  -6.773  -2.232
  448    HB   THR  58           HB       THR  58   7.003  -4.466  -2.553
  449    HG1  THR  58           1HG      THR  58   5.694  -4.141  -0.042
  450   1HG2  THR  58          1HG2      THR  58   4.631  -4.070  -2.632
  451   2HG2  THR  58          2HG2      THR  58   4.944  -5.773  -3.014
  452   3HG2  THR  58          3HG2      THR  58   4.329  -5.311  -1.408
  453    H    GLY  59           H        GLY  59   7.705  -5.787   1.090
  454   1HA   GLY  59          2HA       GLY  59   9.478  -5.065   2.170
  455   2HA   GLY  59          3HA       GLY  59  10.490  -6.079   1.110
  456    H    LYS  60           H        LYS  60   8.459  -3.308   0.046
  457    HA   LYS  60           HA       LYS  60  10.837  -1.764  -0.776
  458   1HB   LYS  60          2HB       LYS  60   7.991  -0.809  -0.395
  459   2HB   LYS  60          3HB       LYS  60   9.233  -0.003  -1.325
  460   1HG   LYS  60          2HG       LYS  60   7.697  -2.485  -2.066
  461   2HG   LYS  60          3HG       LYS  60   7.712  -0.939  -2.878
  462   1HD   LYS  60          2HD       LYS  60   9.893  -3.066  -2.875
  463   2HD   LYS  60          3HD       LYS  60   8.924  -2.481  -4.229
  464   1HE   LYS  60          2HE       LYS  60   9.902  -0.088  -3.493
  465   2HE   LYS  60          3HE       LYS  60  11.210  -1.034  -2.795
  466   1HZ   LYS  60          1HZ       LYS  60  10.417  -0.825  -5.631
  467   2HZ   LYS  60          2HZ       LYS  60  11.690  -0.185  -4.840
  468   3HZ   LYS  60          3HZ       LYS  60  11.630  -1.829  -5.064
  469    H    THR  61           H        THR  61  10.767   0.676   0.127
  470    HA   THR  61           HA       THR  61  11.031   0.683   2.930
  471    HB   THR  61           HB       THR  61  10.660   3.100   1.241
  472    HG1  THR  61           1HG      THR  61  12.783   2.795   0.468
  473   1HG2  THR  61          1HG2      THR  61  12.551   3.973   2.581
  474   2HG2  THR  61          2HG2      THR  61  11.262   3.392   3.649
  475   3HG2  THR  61          3HG2      THR  61  12.714   2.400   3.390
  476    H    VAL  62           H        VAL  62   8.609  -0.363   2.802
  477    HA   VAL  62           HA       VAL  62   6.490   1.550   2.402
  478    HB   VAL  62           HB       VAL  62   6.223  -0.541   1.568
  479   1HG1  VAL  62          1HG1      VAL  62   7.527  -2.024   3.075
  480   2HG1  VAL  62          2HG1      VAL  62   6.306  -1.808   4.344
  481   3HG1  VAL  62          3HG1      VAL  62   5.885  -2.612   2.823
  482   1HG2  VAL  62          1HG2      VAL  62   4.217   0.666   2.483
  483   2HG2  VAL  62          2HG2      VAL  62   4.024  -1.074   2.239
  484   3HG2  VAL  62          3HG2      VAL  62   4.282  -0.446   3.876
  485    H    SER  63           H        SER  63   6.640   3.102   3.756
  486    HA   SER  63           HA       SER  63   6.856   2.684   6.683
  487   1HB   SER  63          2HB       SER  63   6.984   5.245   5.068
  488   2HB   SER  63          3HB       SER  63   7.533   4.988   6.730
  489    HG   SER  63           HG       SER  63   8.602   3.731   4.386
  490    H    TYR  64           H        TYR  64   4.907   2.453   7.639
  491    HA   TYR  64           HA       TYR  64   2.474   3.466   6.424
  492   1HB   TYR  64          2HB       TYR  64   2.497   1.285   7.533
  493   2HB   TYR  64          3HB       TYR  64   2.993   2.037   9.050
  494    HD1  TYR  64           HD1      TYR  64   1.213   1.842  10.601
  495    HD2  TYR  64           HD2      TYR  64   0.321   2.904   6.514
  496    HE1  TYR  64           HE1      TYR  64  -1.121   2.361  11.229
  497    HE2  TYR  64           HE2      TYR  64  -1.902   3.667   7.209
  498    HH   TYR  64           HH       TYR  64  -2.907   4.488   9.388
  499    H    LEU  65           H        LEU  65   1.372   5.290   6.946
  500    HA   LEU  65           HA       LEU  65   2.442   7.157   8.979
  501   1HB   LEU  65          2HB       LEU  65   0.424   7.508   6.770
  502   2HB   LEU  65          3HB       LEU  65   0.769   8.694   8.026
  503    HG   LEU  65           HG       LEU  65   3.309   8.299   7.333
  504   1HD1  LEU  65          1HD1      LEU  65   3.584   7.979   4.955
  505   2HD1  LEU  65          2HD1      LEU  65   2.853   6.535   5.648
  506   3HD1  LEU  65          3HD1      LEU  65   1.844   7.680   4.737
  507   1HD2  LEU  65          1HD2      LEU  65   3.116  10.201   5.812
  508   2HD2  LEU  65          2HD2      LEU  65   1.346   9.986   5.761
  509   3HD2  LEU  65          3HD2      LEU  65   2.158  10.400   7.299
  510    H    GLY  66           H        GLY  66   0.236   8.349  10.001
  511   1HA   GLY  66          2HA       GLY  66  -0.535   6.477  12.008
  512   2HA   GLY  66          3HA       GLY  66  -1.196   8.102  11.763
  513    H    LEU  67           H        LEU  67  -3.029   6.639  12.665
  514    HA   LEU  67           HA       LEU  67  -4.642   5.302  10.595
  515   1HB   LEU  67          2HB       LEU  67  -4.703   4.518  12.941
  516   2HB   LEU  67          3HB       LEU  67  -5.208   6.129  13.472
  517    HG   LEU  67           HG       LEU  67  -7.338   5.888  12.215
  518   1HD1  LEU  67          1HD1      LEU  67  -6.691   4.370  10.402
  519   2HD1  LEU  67          2HD1      LEU  67  -6.271   3.098  11.573
  520   3HD1  LEU  67          3HD1      LEU  67  -7.959   3.613  11.367
  521   1HD2  LEU  67          1HD2      LEU  67  -8.335   4.198  13.693
  522   2HD2  LEU  67          2HD2      LEU  67  -6.723   3.558  14.080
  523   3HD2  LEU  67          3HD2      LEU  67  -7.177   5.201  14.583
  524    H    GLU  68           H        GLU  68  -6.578   6.359   9.665
  525    HA   GLU  68           HA       GLU  68  -6.930   9.208  10.000
  526   1HB   GLU  68          2HB       GLU  68  -4.798   8.596   8.516
  527   2HB   GLU  68          3HB       GLU  68  -6.006   8.081   7.343
  528   1HG   GLU  68          2HG       GLU  68  -6.939  10.419   7.400
  529   2HG   GLU  68          3HG       GLU  68  -5.637  10.877   8.517
  Start of MODEL    3
    1   1H    MET   1           H1       MET   1 -13.465   1.078   6.089
    2   2H    MET   1           H2       MET   1 -14.166   1.340   4.726
    3   3H    MET   1           H3       MET   1 -12.579   1.857   4.922
    4    HA   MET   1           HA       MET   1 -14.406   3.599   5.059
    5   1HB   MET   1          2HB       MET   1 -15.939   2.326   6.375
    6   2HB   MET   1          3HB       MET   1 -14.816   2.193   7.727
    7   1HG   MET   1          2HG       MET   1 -15.782   4.879   6.692
    8   2HG   MET   1          3HG       MET   1 -16.691   3.935   7.877
    9   1HE   MET   1          1HE       MET   1 -16.692   6.138   9.398
   10   2HE   MET   1          2HE       MET   1 -15.194   6.931   9.945
   11   3HE   MET   1          3HE       MET   1 -15.646   6.985   8.226
   12    HA   PRO   2           HA       PRO   2 -11.159   5.238   8.137
   13   1HB   PRO   2          2HB       PRO   2  -9.147   3.564   8.947
   14   2HB   PRO   2          3HB       PRO   2 -10.618   3.879   9.924
   15   1HG   PRO   2          2HG       PRO   2 -10.055   1.554   8.051
   16   2HG   PRO   2          3HG       PRO   2 -10.722   1.476   9.709
   17   1HD   PRO   2          2HD       PRO   2 -12.327   1.339   7.594
   18   2HD   PRO   2          3HD       PRO   2 -12.819   2.345   8.981
   19    H    LYS   3           H        LYS   3  -8.952   5.826   7.690
   20    HA   LYS   3           HA       LYS   3  -7.932   5.043   4.995
   21   1HB   LYS   3          2HB       LYS   3  -8.417   7.434   5.239
   22   2HB   LYS   3          3HB       LYS   3  -7.537   7.451   6.779
   23   1HG   LYS   3          2HG       LYS   3  -5.416   6.884   5.553
   24   2HG   LYS   3          3HG       LYS   3  -6.293   7.039   4.028
   25   1HD   LYS   3          2HD       LYS   3  -6.077   9.184   6.219
   26   2HD   LYS   3          3HD       LYS   3  -4.936   9.068   4.901
   27   1HE   LYS   3          2HE       LYS   3  -7.924   9.665   4.650
   28   2HE   LYS   3          3HE       LYS   3  -6.581  10.798   4.462
   29   1HZ   LYS   3          1HZ       LYS   3  -5.797   9.406   2.615
   30   2HZ   LYS   3          2HZ       LYS   3  -7.210   8.533   2.685
   31   3HZ   LYS   3          3HZ       LYS   3  -7.262  10.114   2.323
   32    H    HIS   4           H        HIS   4  -6.136   3.889   4.946
   33    HA   HIS   4           HA       HIS   4  -4.154   4.074   7.167
   34   1HB   HIS   4          2HB       HIS   4  -4.784   1.582   5.531
   35   2HB   HIS   4          3HB       HIS   4  -3.618   1.744   6.835
   36    HD1  HIS   4           1HD      HIS   4  -5.933   3.428   8.654
   37    HD2  HIS   4           2HD      HIS   4  -6.086  -0.380   6.877
   38    HE1  HIS   4           1HE      HIS   4  -7.592   2.039  10.026
   39    H    GLU   5           H        GLU   5  -2.809   5.525   6.192
   40    HA   GLU   5           HA       GLU   5  -2.168   5.176   3.306
   41   1HB   GLU   5          2HB       GLU   5  -2.175   7.567   5.122
   42   2HB   GLU   5          3HB       GLU   5  -0.897   7.469   3.904
   43   1HG   GLU   5          2HG       GLU   5  -2.420   7.191   2.155
   44   2HG   GLU   5          3HG       GLU   5  -3.830   7.050   3.241
   45    H    PHE   6           H        PHE   6  -0.107   5.024   2.539
   46    HA   PHE   6           HA       PHE   6   2.057   4.354   4.453
   47   1HB   PHE   6          2HB       PHE   6   1.213   2.696   2.038
   48   2HB   PHE   6          3HB       PHE   6   2.611   2.392   3.059
   49    HD1  PHE   6           1HD      PHE   6   2.402   0.796   4.827
   50    HD2  PHE   6           2HD      PHE   6  -1.163   2.579   3.152
   51    HE1  PHE   6           1HE      PHE   6   1.005  -0.903   5.879
   52    HE2  PHE   6           2HE      PHE   6  -2.545   1.093   4.541
   53    HZ   PHE   6           HZ       PHE   6  -1.471  -0.639   5.969
   54    H    SER   7           H        SER   7   4.028   5.053   3.722
   55    HA   SER   7           HA       SER   7   4.103   6.317   1.019
   56   1HB   SER   7          2HB       SER   7   4.716   7.868   2.738
   57   2HB   SER   7          3HB       SER   7   6.020   6.798   3.296
   58    HG   SER   7           HG       SER   7   5.846   7.593   0.565
   59    H    VAL   8           H        VAL   8   5.171   5.193  -0.472
   60    HA   VAL   8           HA       VAL   8   6.650   2.722   0.314
   61    HB   VAL   8           HB       VAL   8   4.556   2.994  -1.868
   62   1HG1  VAL   8          1HG1      VAL   8   6.248   0.635  -0.924
   63   2HG1  VAL   8          2HG1      VAL   8   4.893   0.523  -2.063
   64   3HG1  VAL   8          3HG1      VAL   8   6.335   1.442  -2.507
   65   1HG2  VAL   8          1HG2      VAL   8   4.514   1.590   0.836
   66   2HG2  VAL   8          2HG2      VAL   8   3.420   2.877   0.295
   67   3HG2  VAL   8          3HG2      VAL   8   3.331   1.266  -0.437
   68    H    ASP   9           H        ASP   9   8.655   2.950  -0.516
   69    HA   ASP   9           HA       ASP   9   9.303   5.079  -2.299
   70   1HB   ASP   9          2HB       ASP   9  10.962   4.276  -0.779
   71   2HB   ASP   9          3HB       ASP   9  10.942   2.654  -1.518
   72    H    MET  10           H        MET  10   7.683   4.654  -3.998
   73    HA   MET  10           HA       MET  10   8.246   2.521  -5.890
   74   1HB   MET  10          2HB       MET  10   6.653   5.057  -6.406
   75   2HB   MET  10          3HB       MET  10   6.656   3.536  -7.323
   76   1HG   MET  10          2HG       MET  10   5.755   2.379  -5.265
   77   2HG   MET  10          3HG       MET  10   5.584   3.984  -4.534
   78   1HE   MET  10          1HE       MET  10   1.894   3.264  -5.125
   79   2HE   MET  10          2HE       MET  10   3.151   2.144  -4.545
   80   3HE   MET  10          3HE       MET  10   3.143   3.844  -4.002
   81    H    THR  11           H        THR  11  10.146   2.517  -6.981
   82    HA   THR  11           HA       THR  11  11.455   5.054  -7.733
   83    HB   THR  11           HB       THR  11  12.675   3.130  -6.672
   84    HG1  THR  11           1HG      THR  11  14.466   3.531  -7.995
   85   1HG2  THR  11          1HG2      THR  11  13.505   1.340  -8.106
   86   2HG2  THR  11          2HG2      THR  11  11.739   1.262  -8.057
   87   3HG2  THR  11          3HG2      THR  11  12.560   1.932  -9.482
   88    H    CYS  12           HN       CYS  12   9.505   2.453  -9.181
   89    HA   CYS  12           HA       CYS  12   9.394   3.936 -11.705
   90   1HB   CYS  12          2HB       CYS  12   9.990   1.980 -13.018
   91   2HB   CYS  12          3HB       CYS  12  11.306   2.328 -11.902
   92    H    GLY  13           H        GLY  13   7.665   2.948 -13.073
   93   1HA   GLY  13          2HA       GLY  13   5.158   2.593 -11.933
   94   2HA   GLY  13          3HA       GLY  13   5.659   1.924 -13.495
   95    H    GLY  14           H        GLY  14   7.622   0.146 -12.704
   96   1HA   GLY  14          2HA       GLY  14   6.379  -2.228 -12.208
   97   2HA   GLY  14          3HA       GLY  14   8.077  -1.882 -11.828
   98    H    CYS  15           HN       CYS  15   7.530   0.111  -9.729
   99    HA   CYS  15           HA       CYS  15   7.142  -1.725  -7.508
  100   1HB   CYS  15          2HB       CYS  15   7.367   1.283  -7.689
  101   2HB   CYS  15          3HB       CYS  15   7.188   0.383  -6.187
  102    H    ALA  16           H        ALA  16   5.108   0.747  -9.141
  103    HA   ALA  16           HA       ALA  16   2.930   0.616  -7.238
  104   1HB   ALA  16          1HB       ALA  16   3.174   2.497  -8.819
  105   2HB   ALA  16          2HB       ALA  16   2.895   1.402 -10.188
  106   3HB   ALA  16          3HB       ALA  16   1.612   1.678  -9.000
  107    H    GLU  17           H        GLU  17   3.684  -0.972 -10.356
  108    HA   GLU  17           HA       GLU  17   1.444  -2.675 -10.551
  109   1HB   GLU  17          2HB       GLU  17   4.332  -3.130 -11.396
  110   2HB   GLU  17          3HB       GLU  17   2.965  -4.091 -11.952
  111   1HG   GLU  17          2HG       GLU  17   2.031  -2.290 -13.181
  112   2HG   GLU  17          3HG       GLU  17   3.000  -1.069 -12.354
  113    H    ALA  18           H        ALA  18   4.630  -3.291  -8.970
  114    HA   ALA  18           HA       ALA  18   4.043  -5.879  -8.030
  115   1HB   ALA  18          1HB       ALA  18   5.835  -3.766  -6.758
  116   2HB   ALA  18          2HB       ALA  18   5.888  -5.504  -6.428
  117   3HB   ALA  18          3HB       ALA  18   6.323  -4.895  -8.043
  118    H    VAL  19           H        VAL  19   3.647  -2.714  -6.327
  119    HA   VAL  19           HA       VAL  19   2.618  -3.701  -3.920
  120    HB   VAL  19           HB       VAL  19   2.211  -1.134  -5.514
  121   1HG1  VAL  19          1HG1      VAL  19   1.336  -0.254  -3.316
  122   2HG1  VAL  19          2HG1      VAL  19   0.248  -1.337  -4.185
  123   3HG1  VAL  19          3HG1      VAL  19   1.193  -1.968  -2.803
  124   1HG2  VAL  19          1HG2      VAL  19   3.631  -1.445  -2.863
  125   2HG2  VAL  19          2HG2      VAL  19   4.501  -1.759  -4.376
  126   3HG2  VAL  19          3HG2      VAL  19   3.788  -0.166  -4.075
  127    H    SER  20           H        SER  20   0.969  -2.727  -6.945
  128    HA   SER  20           HA       SER  20  -1.668  -3.231  -6.100
  129   1HB   SER  20          2HB       SER  20  -0.806  -2.083  -8.246
  130   2HB   SER  20          3HB       SER  20  -0.564  -3.656  -8.948
  131    HG   SER  20           HG       SER  20  -3.087  -2.987  -7.871
  132    H    ARG  21           H        ARG  21   0.575  -5.368  -7.800
  133    HA   ARG  21           HA       ARG  21  -0.972  -7.709  -7.792
  134   1HB   ARG  21          2HB       ARG  21   0.825  -8.429  -8.786
  135   2HB   ARG  21          3HB       ARG  21   1.773  -7.058  -8.260
  136   1HG   ARG  21          2HG       ARG  21   2.631  -8.198  -6.352
  137   2HG   ARG  21          3HG       ARG  21   1.453  -9.503  -6.479
  138   1HD   ARG  21          2HD       ARG  21   3.585 -10.314  -7.325
  139   2HD   ARG  21          3HD       ARG  21   2.402 -10.235  -8.612
  140    HE   ARG  21           HE       ARG  21   3.559  -8.590  -9.704
  141   1HH1  ARG  21          2HH2      ARG  21   4.912  -8.916  -6.474
  142   2HH1  ARG  21          1HH2      ARG  21   6.427  -8.148  -6.840
  143   1HH2  ARG  21          2HH1      ARG  21   5.520  -7.483 -10.227
  144   2HH2  ARG  21          1HH1      ARG  21   6.748  -7.260  -9.029
  145    H    VAL  22           H        VAL  22   1.047  -6.462  -5.067
  146    HA   VAL  22           HA       VAL  22   0.682  -8.732  -3.386
  147    HB   VAL  22           HB       VAL  22   1.863  -5.975  -3.350
  148   1HG1  VAL  22          1HG1      VAL  22   2.272  -6.067  -0.935
  149   2HG1  VAL  22          2HG1      VAL  22   0.640  -5.645  -1.481
  150   3HG1  VAL  22          3HG1      VAL  22   0.970  -7.280  -0.811
  151   1HG2  VAL  22          1HG2      VAL  22   3.771  -7.049  -2.504
  152   2HG2  VAL  22          2HG2      VAL  22   2.893  -8.587  -2.269
  153   3HG2  VAL  22          3HG2      VAL  22   3.172  -7.945  -3.912
  154    H    LEU  23           H        LEU  23  -0.884  -5.535  -3.575
  155    HA   LEU  23           HA       LEU  23  -2.653  -6.045  -1.345
  156   1HB   LEU  23          2HB       LEU  23  -2.177  -3.894  -3.367
  157   2HB   LEU  23          3HB       LEU  23  -3.754  -3.882  -2.693
  158    HG   LEU  23           HG       LEU  23  -1.153  -3.985  -1.074
  159   1HD1  LEU  23          1HD1      LEU  23  -2.951  -1.607  -1.680
  160   2HD1  LEU  23          2HD1      LEU  23  -1.431  -1.601  -0.750
  161   3HD1  LEU  23          3HD1      LEU  23  -1.398  -1.911  -2.491
  162   1HD2  LEU  23          1HD2      LEU  23  -3.189  -4.762   0.181
  163   2HD2  LEU  23          2HD2      LEU  23  -2.641  -3.203   0.778
  164   3HD2  LEU  23          3HD2      LEU  23  -4.018  -3.289  -0.354
  165    H    ASN  24           H        ASN  24  -2.971  -6.370  -4.895
  166    HA   ASN  24           HA       ASN  24  -5.726  -7.108  -4.913
  167   1HB   ASN  24          2HB       ASN  24  -4.485  -6.621  -6.971
  168   2HB   ASN  24          3HB       ASN  24  -3.453  -8.036  -6.715
  169   1HD2  ASN  24          1HD2      ASN  24  -6.671  -8.862  -5.718
  170   2HD2  ASN  24          2HD2      ASN  24  -7.140  -9.556  -7.255
  171    H    LYS  25           H        LYS  25  -2.679  -9.018  -4.393
  172    HA   LYS  25           HA       LYS  25  -3.970 -11.454  -3.907
  173   1HB   LYS  25          2HB       LYS  25  -1.318 -10.305  -3.514
  174   2HB   LYS  25          3HB       LYS  25  -1.733 -11.356  -2.193
  175   1HG   LYS  25          2HG       LYS  25  -1.991 -12.122  -5.158
  176   2HG   LYS  25          3HG       LYS  25  -0.505 -12.284  -4.242
  177   1HD   LYS  25          2HD       LYS  25  -1.351 -14.398  -4.251
  178   2HD   LYS  25          3HD       LYS  25  -1.662 -13.841  -2.618
  179   1HE   LYS  25          2HE       LYS  25  -3.860 -13.607  -4.727
  180   2HE   LYS  25          3HE       LYS  25  -3.422 -15.212  -4.157
  181   1HZ   LYS  25          1HZ       LYS  25  -3.933 -14.594  -1.933
  182   2HZ   LYS  25          2HZ       LYS  25  -4.326 -13.063  -2.355
  183   3HZ   LYS  25          3HZ       LYS  25  -5.226 -14.308  -2.899
  184    H    LEU  26           H        LEU  26  -3.621  -8.661  -1.693
  185    HA   LEU  26           HA       LEU  26  -4.726  -9.932   0.622
  186   1HB   LEU  26          2HB       LEU  26  -3.789  -7.503   0.398
  187   2HB   LEU  26          3HB       LEU  26  -5.374  -7.084  -0.225
  188    HG   LEU  26           HG       LEU  26  -5.375  -6.437   1.950
  189   1HD1  LEU  26          1HD1      LEU  26  -6.980  -8.981   2.018
  190   2HD1  LEU  26          2HD1      LEU  26  -7.276  -7.417   2.797
  191   3HD1  LEU  26          3HD1      LEU  26  -7.412  -7.556   1.027
  192   1HD2  LEU  26          1HD2      LEU  26  -3.606  -7.750   2.897
  193   2HD2  LEU  26          2HD2      LEU  26  -5.066  -7.862   3.881
  194   3HD2  LEU  26          3HD2      LEU  26  -4.596  -9.231   2.843
  195    H    GLY  27           H        GLY  27  -6.341  -8.009  -1.958
  196   1HA   GLY  27          2HA       GLY  27  -8.106  -9.163  -3.232
  197   2HA   GLY  27          3HA       GLY  27  -8.776  -9.782  -1.729
  198    H    GLY  28           H        GLY  28  -9.871  -8.318  -0.274
  199   1HA   GLY  28          2HA       GLY  28 -11.587  -6.614  -1.852
  200   2HA   GLY  28          3HA       GLY  28 -11.748  -7.020  -0.139
  201    H    VAL  29           H        VAL  29  -9.084  -5.374  -1.851
  202    HA   VAL  29           HA       VAL  29  -9.204  -3.165   0.159
  203    HB   VAL  29           HB       VAL  29  -6.874  -2.707  -0.683
  204   1HG1  VAL  29          1HG1      VAL  29  -5.862  -4.627   0.535
  205   2HG1  VAL  29          2HG1      VAL  29  -7.245  -3.928   1.405
  206   3HG1  VAL  29          3HG1      VAL  29  -7.429  -5.447   0.501
  207   1HG2  VAL  29          1HG2      VAL  29  -5.693  -4.324  -1.939
  208   2HG2  VAL  29          2HG2      VAL  29  -6.996  -5.518  -1.851
  209   3HG2  VAL  29          3HG2      VAL  29  -7.185  -4.069  -2.864
  210    H    LYS  30           H        LYS  30  -8.953  -0.988  -0.532
  211    HA   LYS  30           HA       LYS  30  -8.901  -0.492  -3.393
  212   1HB   LYS  30          2HB       LYS  30 -11.278  -0.134  -2.868
  213   2HB   LYS  30          3HB       LYS  30 -10.852   0.868  -1.488
  214   1HG   LYS  30          2HG       LYS  30 -11.598   2.189  -3.447
  215   2HG   LYS  30          3HG       LYS  30 -10.023   2.634  -2.840
  216   1HD   LYS  30          2HD       LYS  30 -10.169   2.638  -5.324
  217   2HD   LYS  30          3HD       LYS  30  -8.860   1.678  -4.695
  218   1HE   LYS  30          2HE       LYS  30  -9.942   0.586  -6.594
  219   2HE   LYS  30          3HE       LYS  30 -10.062  -0.423  -5.163
  220   1HZ   LYS  30          1HZ       LYS  30 -12.298   0.358  -4.830
  221   2HZ   LYS  30          2HZ       LYS  30 -12.223   1.294  -6.185
  222   3HZ   LYS  30          3HZ       LYS  30 -12.137  -0.346  -6.306
  223    H    TYR  31           H        TYR  31  -7.180   0.644  -3.769
  224    HA   TYR  31           HA       TYR  31  -5.940   2.264  -1.657
  225   1HB   TYR  31          2HB       TYR  31  -3.784   1.234  -2.341
  226   2HB   TYR  31          3HB       TYR  31  -4.876   0.144  -1.498
  227    HD1  TYR  31           HD1      TYR  31  -6.277  -1.541  -2.817
  228    HD2  TYR  31           HD2      TYR  31  -2.843   0.524  -4.404
  229    HE1  TYR  31           HE1      TYR  31  -6.125  -3.200  -4.651
  230    HE2  TYR  31           HE2      TYR  31  -2.607  -1.230  -6.134
  231    HH   TYR  31           HH       TYR  31  -4.851  -3.992  -6.391
  232    H    ASP  32           H        ASP  32  -5.430   4.221  -2.398
  233    HA   ASP  32           HA       ASP  32  -5.386   4.730  -5.323
  234   1HB   ASP  32          2HB       ASP  32  -6.574   6.360  -3.817
  235   2HB   ASP  32          3HB       ASP  32  -5.027   6.678  -3.013
  236    H    ILE  33           H        ILE  33  -3.420   5.887  -6.107
  237    HA   ILE  33           HA       ILE  33  -0.904   4.710  -4.973
  238    HB   ILE  33           HB       ILE  33  -2.269   4.303  -7.655
  239   1HG1  ILE  33          2HG1      ILE  33  -0.833   2.233  -5.963
  240   2HG1  ILE  33          3HG1      ILE  33  -2.502   2.694  -5.601
  241   1HG2  ILE  33          1HG2      ILE  33   0.682   3.935  -7.047
  242   2HG2  ILE  33          2HG2      ILE  33  -0.145   3.237  -8.457
  243   3HG2  ILE  33          3HG2      ILE  33  -0.057   4.982  -8.279
  244   1HD1  ILE  33          1HD1      ILE  33  -2.556   0.744  -7.043
  245   2HD1  ILE  33          2HD1      ILE  33  -3.267   2.130  -7.855
  246   3HD1  ILE  33          3HD1      ILE  33  -1.631   1.570  -8.293
  247    H    ASP  34           H        ASP  34   0.604   6.307  -4.900
  248    HA   ASP  34           HA       ASP  34   0.645   8.284  -7.137
  249   1HB   ASP  34          2HB       ASP  34  -0.042   9.360  -4.994
  250   2HB   ASP  34          3HB       ASP  34   1.518   8.873  -4.297
  251    H    LEU  35           H        LEU  35   2.319   7.896  -8.344
  252    HA   LEU  35           HA       LEU  35   4.573   6.255  -7.489
  253   1HB   LEU  35          2HB       LEU  35   3.552   7.418 -10.063
  254   2HB   LEU  35          3HB       LEU  35   5.286   7.125  -9.951
  255    HG   LEU  35           HG       LEU  35   3.374   4.946  -9.093
  256   1HD1  LEU  35          1HD1      LEU  35   3.306   4.049 -11.388
  257   2HD1  LEU  35          2HD1      LEU  35   2.494   5.622 -11.285
  258   3HD1  LEU  35          3HD1      LEU  35   4.121   5.508 -11.994
  259   1HD2  LEU  35          1HD2      LEU  35   5.936   4.868  -8.868
  260   2HD2  LEU  35          2HD2      LEU  35   5.212   3.487  -9.723
  261   3HD2  LEU  35          3HD2      LEU  35   6.012   4.786 -10.628
  262    HA   PRO  36           HA       PRO  36   7.227  10.107  -8.282
  263   1HB   PRO  36          2HB       PRO  36   6.043  12.628  -8.241
  264   2HB   PRO  36          3HB       PRO  36   6.417  11.681  -9.711
  265   1HG   PRO  36          2HG       PRO  36   3.786  11.828  -8.220
  266   2HG   PRO  36          3HG       PRO  36   4.058  11.983  -9.980
  267   1HD   PRO  36          2HD       PRO  36   3.246   9.665  -8.947
  268   2HD   PRO  36          3HD       PRO  36   4.536   9.645 -10.182
  269    H    ASN  37           H        ASN  37   4.356  10.481  -6.179
  270    HA   ASN  37           HA       ASN  37   6.097  11.640  -4.031
  271   1HB   ASN  37          2HB       ASN  37   3.090  11.319  -3.988
  272   2HB   ASN  37          3HB       ASN  37   4.097  12.116  -2.809
  273   1HD2  ASN  37          1HD2      ASN  37   2.219  12.685  -5.584
  274   2HD2  ASN  37          2HD2      ASN  37   2.850  14.293  -5.951
  275    H    LYS  38           H        LYS  38   5.528   8.588  -5.105
  276    HA   LYS  38           HA       LYS  38   5.873   6.558  -4.118
  277   1HB   LYS  38          2HB       LYS  38   7.376   8.448  -2.241
  278   2HB   LYS  38          3HB       LYS  38   7.639   6.718  -2.304
  279   1HG   LYS  38          2HG       LYS  38   8.307   6.850  -4.660
  280   2HG   LYS  38          3HG       LYS  38   7.984   8.588  -4.694
  281   1HD   LYS  38          2HD       LYS  38   9.659   9.019  -2.978
  282   2HD   LYS  38          3HD       LYS  38  10.031   7.299  -2.824
  283   1HE   LYS  38          2HE       LYS  38  10.387   8.935  -5.391
  284   2HE   LYS  38          3HE       LYS  38  11.670   8.601  -4.213
  285   1HZ   LYS  38          1HZ       LYS  38  11.323   6.247  -4.589
  286   2HZ   LYS  38          2HZ       LYS  38  10.229   6.556  -5.778
  287   3HZ   LYS  38          3HZ       LYS  38  11.795   7.016  -5.960
  288    H    LYS  39           H        LYS  39   3.359   6.825  -3.652
  289    HA   LYS  39           HA       LYS  39   2.959   6.301  -0.786
  290   1HB   LYS  39          2HB       LYS  39   2.620   8.888  -1.762
  291   2HB   LYS  39          3HB       LYS  39   0.995   8.215  -1.947
  292   1HG   LYS  39          2HG       LYS  39   1.189   7.462   0.500
  293   2HG   LYS  39          3HG       LYS  39   2.710   8.389   0.554
  294   1HD   LYS  39          2HD       LYS  39   1.324  10.411  -0.221
  295   2HD   LYS  39          3HD       LYS  39  -0.119   9.401   0.031
  296   1HE   LYS  39          2HE       LYS  39   0.724   9.013   2.432
  297   2HE   LYS  39          3HE       LYS  39   1.952  10.257   2.117
  298   1HZ   LYS  39          1HZ       LYS  39   0.098  11.232   3.185
  299   2HZ   LYS  39          2HZ       LYS  39  -0.029  11.739   1.613
  300   3HZ   LYS  39          3HZ       LYS  39  -0.971  10.519   2.236
  301    H    VAL  40           H        VAL  40   1.079   5.253  -0.206
  302    HA   VAL  40           HA       VAL  40  -0.775   4.429  -2.325
  303    HB   VAL  40           HB       VAL  40   0.307   2.618  -0.115
  304   1HG1  VAL  40          1HG1      VAL  40  -1.438   2.068  -2.552
  305   2HG1  VAL  40          2HG1      VAL  40  -0.914   0.868  -1.345
  306   3HG1  VAL  40          3HG1      VAL  40  -2.004   2.191  -0.876
  307   1HG2  VAL  40          1HG2      VAL  40   2.075   3.004  -1.818
  308   2HG2  VAL  40          2HG2      VAL  40   1.443   1.358  -1.839
  309   3HG2  VAL  40          3HG2      VAL  40   0.911   2.519  -3.085
  310    H    CYS  41           H        CYS  41  -2.890   4.910  -1.557
  311    HA   CYS  41           HA       CYS  41  -3.204   5.397   1.383
  312   1HB   CYS  41          2HB       CYS  41  -4.850   6.701  -0.799
  313   2HB   CYS  41          3HB       CYS  41  -4.731   7.091   0.887
  314    HG   CYS  41           HG       CYS  41  -3.723   9.019  -0.512
  315    H    ILE  42           H        ILE  42  -4.180   3.648   2.259
  316    HA   ILE  42           HA       ILE  42  -6.016   2.243   0.456
  317    HB   ILE  42           HB       ILE  42  -4.787   1.044   2.939
  318   1HG1  ILE  42          2HG1      ILE  42  -3.684   1.187   0.122
  319   2HG1  ILE  42          3HG1      ILE  42  -2.939   1.866   1.577
  320   1HG2  ILE  42          1HG2      ILE  42  -5.347  -1.067   1.555
  321   2HG2  ILE  42          2HG2      ILE  42  -6.753  -0.092   1.978
  322   3HG2  ILE  42          3HG2      ILE  42  -6.066  -0.016   0.356
  323   1HD1  ILE  42          1HD1      ILE  42  -3.203  -1.093   1.051
  324   2HD1  ILE  42          2HD1      ILE  42  -1.779  -0.090   0.806
  325   3HD1  ILE  42          3HD1      ILE  42  -2.372  -0.330   2.433
  326    H    GLU  43           H        GLU  43  -8.112   2.217   0.789
  327    HA   GLU  43           HA       GLU  43  -9.215   2.958   3.462
  328   1HB   GLU  43          2HB       GLU  43  -9.640   4.253   0.759
  329   2HB   GLU  43          3HB       GLU  43 -10.923   4.286   1.973
  330   1HG   GLU  43          2HG       GLU  43  -9.586   5.446   3.561
  331   2HG   GLU  43          3HG       GLU  43  -8.082   5.116   2.679
  332    H    SER  44           H        SER  44  -9.981   0.979   4.018
  333    HA   SER  44           HA       SER  44 -12.215  -0.105   2.536
  334   1HB   SER  44          2HB       SER  44 -10.180  -1.120   1.373
  335   2HB   SER  44          3HB       SER  44  -9.808  -1.935   2.902
  336    HG   SER  44           HG       SER  44 -11.238  -3.173   1.409
  337    H    GLU  45           H        GLU  45 -12.644  -2.350   3.637
  338    HA   GLU  45           HA       GLU  45 -12.703  -2.010   6.625
  339   1HB   GLU  45          2HB       GLU  45 -14.261  -3.742   4.660
  340   2HB   GLU  45          3HB       GLU  45 -14.316  -3.980   6.404
  341   1HG   GLU  45          2HG       GLU  45 -16.080  -2.407   4.991
  342   2HG   GLU  45          3HG       GLU  45 -15.790  -2.331   6.729
  343    H    HIS  46           H        HIS  46 -10.266  -2.278   6.050
  344    HA   HIS  46           HA       HIS  46  -9.614  -5.035   6.893
  345   1HB   HIS  46          2HB       HIS  46  -8.293  -3.550   4.579
  346   2HB   HIS  46          3HB       HIS  46  -7.549  -4.907   5.429
  347    HD1  HIS  46           1HD      HIS  46  -9.257  -7.243   5.390
  348    HD2  HIS  46           2HD      HIS  46  -9.389  -4.334   2.359
  349    HE1  HIS  46           1HE      HIS  46 -10.036  -8.423   3.266
  350    H    SER  47           H        SER  47  -8.258  -4.857   8.663
  351    HA   SER  47           HA       SER  47  -7.756  -2.206   9.668
  352   1HB   SER  47          2HB       SER  47  -8.222  -4.334  11.027
  353   2HB   SER  47          3HB       SER  47  -6.510  -4.741  10.780
  354    HG   SER  47           HG       SER  47  -6.012  -3.223  12.196
  355    H    MET  48           H        MET  48  -5.792  -1.193  10.055
  356    HA   MET  48           HA       MET  48  -3.890  -1.193   8.031
  357   1HB   MET  48          2HB       MET  48  -2.472   0.142   9.350
  358   2HB   MET  48          3HB       MET  48  -4.138   0.680   9.578
  359   1HG   MET  48          2HG       MET  48  -2.738  -1.177  11.498
  360   2HG   MET  48          3HG       MET  48  -2.616   0.578  11.616
  361   1HE   MET  48          1HE       MET  48  -4.925  -0.569  14.633
  362   2HE   MET  48          2HE       MET  48  -3.620  -1.527  13.900
  363   3HE   MET  48          3HE       MET  48  -3.385   0.214  14.196
  364    H    ASP  49           H        ASP  49  -3.970  -3.245  10.923
  365    HA   ASP  49           HA       ASP  49  -1.357  -4.295  10.778
  366   1HB   ASP  49          2HB       ASP  49  -3.754  -5.949  11.657
  367   2HB   ASP  49          3HB       ASP  49  -2.120  -5.905  12.317
  368    H    THR  50           H        THR  50  -4.449  -5.575   9.549
  369    HA   THR  50           HA       THR  50  -3.600  -7.889   8.267
  370    HB   THR  50           HB       THR  50  -5.862  -6.112   7.266
  371    HG1  THR  50           1HG      THR  50  -5.792  -7.553   9.703
  372   1HG2  THR  50          1HG2      THR  50  -7.072  -8.244   7.123
  373   2HG2  THR  50          2HG2      THR  50  -5.550  -8.348   6.216
  374   3HG2  THR  50          3HG2      THR  50  -5.686  -9.112   7.813
  375    H    LEU  51           H        LEU  51  -3.955  -4.555   7.066
  376    HA   LEU  51           HA       LEU  51  -3.066  -5.057   4.367
  377   1HB   LEU  51          2HB       LEU  51  -2.976  -2.520   6.055
  378   2HB   LEU  51          3HB       LEU  51  -2.553  -2.653   4.346
  379    HG   LEU  51           HG       LEU  51  -5.282  -2.856   5.656
  380   1HD1  LEU  51          1HD1      LEU  51  -5.716  -1.127   3.937
  381   2HD1  LEU  51          2HD1      LEU  51  -4.273  -0.695   4.887
  382   3HD1  LEU  51          3HD1      LEU  51  -4.073  -1.408   3.277
  383   1HD2  LEU  51          1HD2      LEU  51  -6.196  -3.451   3.406
  384   2HD2  LEU  51          2HD2      LEU  51  -4.554  -3.825   2.847
  385   3HD2  LEU  51          3HD2      LEU  51  -5.311  -4.788   4.144
  386    H    LEU  52           H        LEU  52  -1.346  -3.586   7.165
  387    HA   LEU  52           HA       LEU  52   1.110  -3.159   6.183
  388   1HB   LEU  52          2HB       LEU  52   0.156  -3.948   8.869
  389   2HB   LEU  52          3HB       LEU  52   1.881  -4.005   8.527
  390    HG   LEU  52           HG       LEU  52   0.260  -1.564   7.784
  391   1HD1  LEU  52          1HD1      LEU  52   0.857  -0.552   9.893
  392   2HD1  LEU  52          2HD1      LEU  52  -0.203  -1.958  10.098
  393   3HD1  LEU  52          3HD1      LEU  52   1.534  -2.114  10.452
  394   1HD2  LEU  52          1HD2      LEU  52   2.425  -0.453   7.938
  395   2HD2  LEU  52          2HD2      LEU  52   3.175  -1.876   8.692
  396   3HD2  LEU  52          3HD2      LEU  52   2.718  -1.910   6.982
  397    H    ALA  53           H        ALA  53   0.145  -6.220   7.792
  398    HA   ALA  53           HA       ALA  53   2.530  -7.643   7.371
  399   1HB   ALA  53          1HB       ALA  53   0.685  -8.393   8.844
  400   2HB   ALA  53          2HB       ALA  53  -0.340  -8.697   7.424
  401   3HB   ALA  53          3HB       ALA  53   1.128  -9.665   7.688
  402    H    THR  54           H        THR  54  -0.195  -7.106   5.082
  403    HA   THR  54           HA       THR  54   1.026  -8.928   3.143
  404    HB   THR  54           HB       THR  54  -1.489  -7.279   3.208
  405    HG1  THR  54           1HG      THR  54  -1.785  -9.088   4.286
  406   1HG2  THR  54          1HG2      THR  54  -0.284  -8.855   0.908
  407   2HG2  THR  54          2HG2      THR  54  -2.026  -8.627   1.094
  408   3HG2  THR  54          3HG2      THR  54  -0.970  -7.211   0.920
  409    H    LEU  55           H        LEU  55   0.735  -5.372   3.584
  410    HA   LEU  55           HA       LEU  55   1.690  -4.806   0.962
  411   1HB   LEU  55          2HB       LEU  55   0.700  -3.402   3.259
  412   2HB   LEU  55          3HB       LEU  55   2.266  -2.681   2.815
  413    HG   LEU  55           HG       LEU  55  -0.330  -2.787   1.306
  414   1HD1  LEU  55          1HD1      LEU  55   1.598  -0.643   2.329
  415   2HD1  LEU  55          2HD1      LEU  55   0.263  -0.270   1.267
  416   3HD1  LEU  55          3HD1      LEU  55  -0.063  -0.979   2.862
  417   1HD2  LEU  55          1HD2      LEU  55   1.201  -3.275  -0.451
  418   2HD2  LEU  55          2HD2      LEU  55   0.878  -1.541  -0.497
  419   3HD2  LEU  55          3HD2      LEU  55   2.415  -2.129   0.194
  420    H    LYS  56           H        LYS  56   3.221  -5.300   4.132
  421    HA   LYS  56           HA       LYS  56   5.925  -4.809   3.521
  422   1HB   LYS  56          2HB       LYS  56   4.378  -6.421   5.505
  423   2HB   LYS  56          3HB       LYS  56   5.955  -7.053   5.156
  424   1HG   LYS  56          2HG       LYS  56   5.989  -5.569   7.031
  425   2HG   LYS  56          3HG       LYS  56   7.073  -5.036   5.735
  426   1HD   LYS  56          2HD       LYS  56   5.355  -3.300   5.085
  427   2HD   LYS  56          3HD       LYS  56   4.353  -3.833   6.446
  428   1HE   LYS  56          2HE       LYS  56   6.104  -3.214   8.046
  429   2HE   LYS  56          3HE       LYS  56   7.254  -2.872   6.744
  430   1HZ   LYS  56          1HZ       LYS  56   6.269  -0.904   7.726
  431   2HZ   LYS  56          2HZ       LYS  56   6.021  -0.958   6.126
  432   3HZ   LYS  56          3HZ       LYS  56   4.787  -1.323   7.162
  433    H    LYS  57           H        LYS  57   3.896  -7.407   2.255
  434    HA   LYS  57           HA       LYS  57   6.078  -9.155   1.583
  435   1HB   LYS  57          2HB       LYS  57   3.373  -8.917   0.240
  436   2HB   LYS  57          3HB       LYS  57   4.514 -10.241   0.050
  437   1HG   LYS  57          2HG       LYS  57   4.293 -10.958   2.325
  438   2HG   LYS  57          3HG       LYS  57   3.430  -9.490   2.788
  439   1HD   LYS  57          2HD       LYS  57   1.573 -10.101   1.260
  440   2HD   LYS  57          3HD       LYS  57   2.367 -11.637   0.904
  441   1HE   LYS  57          2HE       LYS  57   1.992 -12.513   3.043
  442   2HE   LYS  57          3HE       LYS  57   1.908 -10.939   3.824
  443   1HZ   LYS  57          1HZ       LYS  57  -0.293 -10.604   2.973
  444   2HZ   LYS  57          2HZ       LYS  57  -0.210 -11.979   2.062
  445   3HZ   LYS  57          3HZ       LYS  57  -0.217 -12.059   3.700
  446    H    THR  58           H        THR  58   5.183  -6.048   0.253
  447    HA   THR  58           HA       THR  58   6.490  -6.332  -2.320
  448    HB   THR  58           HB       THR  58   6.875  -3.925  -2.144
  449    HG1  THR  58           1HG      THR  58   5.605  -3.958   0.376
  450   1HG2  THR  58          1HG2      THR  58   4.532  -3.188  -1.878
  451   2HG2  THR  58          2HG2      THR  58   4.700  -4.625  -2.921
  452   3HG2  THR  58          3HG2      THR  58   4.108  -4.787  -1.254
  453    H    GLY  59           H        GLY  59   7.521  -5.762   0.998
  454   1HA   GLY  59          2HA       GLY  59   9.442  -5.754   2.047
  455   2HA   GLY  59          3HA       GLY  59  10.142  -6.790   0.778
  456    H    LYS  60           H        LYS  60   8.847  -3.465   0.568
  457    HA   LYS  60           HA       LYS  60  11.548  -2.400  -0.203
  458   1HB   LYS  60          2HB       LYS  60   8.795  -1.216  -0.678
  459   2HB   LYS  60          3HB       LYS  60  10.346  -0.637  -1.306
  460   1HG   LYS  60          2HG       LYS  60  10.576  -2.517  -2.799
  461   2HG   LYS  60          3HG       LYS  60   9.225  -3.358  -2.055
  462   1HD   LYS  60          2HD       LYS  60   8.533  -2.325  -4.200
  463   2HD   LYS  60          3HD       LYS  60   7.605  -1.777  -2.805
  464   1HE   LYS  60          2HE       LYS  60   8.060   0.141  -4.180
  465   2HE   LYS  60          3HE       LYS  60   8.940   0.322  -2.687
  466   1HZ   LYS  60          1HZ       LYS  60  10.899  -0.623  -4.001
  467   2HZ   LYS  60          2HZ       LYS  60   9.967  -0.313  -5.358
  468   3HZ   LYS  60          3HZ       LYS  60  10.368   0.899  -4.342
  469    H    THR  61           H        THR  61  11.525   0.120   0.380
  470    HA   THR  61           HA       THR  61  10.923   0.662   3.093
  471    HB   THR  61           HB       THR  61  11.112   2.668   0.922
  472    HG1  THR  61           1HG      THR  61  13.336   2.389   0.903
  473   1HG2  THR  61          1HG2      THR  61  12.284   2.587   3.735
  474   2HG2  THR  61          2HG2      THR  61  12.395   3.949   2.600
  475   3HG2  THR  61          3HG2      THR  61  10.817   3.473   3.257
  476    H    VAL  62           H        VAL  62   8.773  -0.308   3.051
  477    HA   VAL  62           HA       VAL  62   6.608   1.611   2.284
  478    HB   VAL  62           HB       VAL  62   5.994  -0.331   1.400
  479   1HG1  VAL  62          1HG1      VAL  62   7.448  -2.011   2.235
  480   2HG1  VAL  62          2HG1      VAL  62   6.859  -1.813   3.903
  481   3HG1  VAL  62          3HG1      VAL  62   5.815  -2.522   2.649
  482   1HG2  VAL  62          1HG2      VAL  62   4.254   0.756   2.911
  483   2HG2  VAL  62          2HG2      VAL  62   3.959  -0.922   2.424
  484   3HG2  VAL  62          3HG2      VAL  62   4.545  -0.567   4.055
  485    H    SER  63           H        SER  63   6.836   3.126   3.709
  486    HA   SER  63           HA       SER  63   6.968   2.642   6.631
  487   1HB   SER  63          2HB       SER  63   6.834   5.229   5.017
  488   2HB   SER  63          3HB       SER  63   7.172   5.091   6.749
  489    HG   SER  63           HG       SER  63   9.097   5.239   5.441
  490    H    TYR  64           H        TYR  64   5.169   3.061   7.998
  491    HA   TYR  64           HA       TYR  64   2.573   3.317   6.642
  492   1HB   TYR  64          2HB       TYR  64   2.934   1.618   8.451
  493   2HB   TYR  64          3HB       TYR  64   3.199   2.931   9.593
  494    HD1  TYR  64           HD1      TYR  64   0.641   2.357   6.851
  495    HD2  TYR  64           HD2      TYR  64   1.320   3.060  11.055
  496    HE1  TYR  64           HE1      TYR  64  -1.731   2.786   7.157
  497    HE2  TYR  64           HE2      TYR  64  -1.118   3.293  11.391
  498    HH   TYR  64           HH       TYR  64  -3.198   3.269  10.382
  499    H    LEU  65           H        LEU  65   1.225   5.077   6.882
  500    HA   LEU  65           HA       LEU  65   2.317   7.553   8.164
  501   1HB   LEU  65          2HB       LEU  65   0.681   7.073   5.660
  502   2HB   LEU  65          3HB       LEU  65   0.669   8.623   6.451
  503    HG   LEU  65           HG       LEU  65   2.248   8.134   4.421
  504   1HD1  LEU  65          1HD1      LEU  65   2.097  10.255   5.601
  505   2HD1  LEU  65          2HD1      LEU  65   3.193   9.650   6.872
  506   3HD1  LEU  65          3HD1      LEU  65   3.789   9.860   5.208
  507   1HD2  LEU  65          1HD2      LEU  65   3.500   6.229   5.402
  508   2HD2  LEU  65          2HD2      LEU  65   4.550   7.596   5.009
  509   3HD2  LEU  65          3HD2      LEU  65   4.115   7.307   6.682
  510    H    GLY  66           H        GLY  66   0.242   9.032   8.540
  511   1HA   GLY  66          2HA       GLY  66  -0.959   8.072  10.821
  512   2HA   GLY  66          3HA       GLY  66  -1.594   9.405   9.845
  513    H    LEU  67           H        LEU  67  -2.900   7.208  11.403
  514    HA   LEU  67           HA       LEU  67  -4.631   5.891   9.436
  515   1HB   LEU  67          2HB       LEU  67  -3.882   4.757  11.519
  516   2HB   LEU  67          3HB       LEU  67  -4.630   6.009  12.501
  517    HG   LEU  67           HG       LEU  67  -6.366   4.608  10.496
  518   1HD1  LEU  67          1HD1      LEU  67  -5.120   2.725  11.431
  519   2HD1  LEU  67          2HD1      LEU  67  -5.380   3.326  13.084
  520   3HD1  LEU  67          3HD1      LEU  67  -6.749   2.731  12.129
  521   1HD2  LEU  67          1HD2      LEU  67  -6.826   5.401  13.412
  522   2HD2  LEU  67          2HD2      LEU  67  -7.327   6.368  12.016
  523   3HD2  LEU  67          3HD2      LEU  67  -8.051   4.783  12.286
  524    H    GLU  68           H        GLU  68  -6.813   6.718   9.109
  525    HA   GLU  68           HA       GLU  68  -7.787   8.809  10.874
  526   1HB   GLU  68          2HB       GLU  68  -7.962   9.260   7.870
  527   2HB   GLU  68          3HB       GLU  68  -8.549  10.289   9.161
  528   1HG   GLU  68          2HG       GLU  68  -6.209  10.727   9.890
  529   2HG   GLU  68          3HG       GLU  68  -5.604   9.732   8.555
  Start of MODEL    4
    1   1H    MET   1           H1       MET   1 -11.111   7.162   9.165
    2   2H    MET   1           H2       MET   1 -12.370   7.561  10.187
    3   3H    MET   1           H3       MET   1 -10.809   7.345  10.664
    4    HA   MET   1           HA       MET   1 -11.505   5.390  11.373
    5   1HB   MET   1          2HB       MET   1 -13.661   5.292   9.239
    6   2HB   MET   1          3HB       MET   1 -13.428   4.179  10.624
    7   1HG   MET   1          2HG       MET   1 -15.085   5.599  11.358
    8   2HG   MET   1          3HG       MET   1 -13.619   6.216  12.120
    9   1HE   MET   1          1HE       MET   1 -15.465   9.557  11.672
   10   2HE   MET   1          2HE       MET   1 -16.018   7.994  12.318
   11   3HE   MET   1          3HE       MET   1 -14.386   8.596  12.710
   12    HA   PRO   2           HA       PRO   2  -9.159   2.732   8.894
   13   1HB   PRO   2          2HB       PRO   2 -10.093   0.855   7.234
   14   2HB   PRO   2          3HB       PRO   2 -10.561   0.873   8.956
   15   1HG   PRO   2          2HG       PRO   2 -12.110   2.092   6.641
   16   2HG   PRO   2          3HG       PRO   2 -12.713   0.908   7.840
   17   1HD   PRO   2          2HD       PRO   2 -13.102   3.536   8.142
   18   2HD   PRO   2          3HD       PRO   2 -12.671   2.506   9.557
   19    H    LYS   3           H        LYS   3  -8.874   5.052   7.861
   20    HA   LYS   3           HA       LYS   3  -8.113   4.665   4.986
   21   1HB   LYS   3          2HB       LYS   3  -8.265   7.022   6.884
   22   2HB   LYS   3          3HB       LYS   3  -7.093   7.005   5.570
   23   1HG   LYS   3          2HG       LYS   3  -8.764   6.808   3.880
   24   2HG   LYS   3          3HG       LYS   3 -10.072   6.670   5.080
   25   1HD   LYS   3          2HD       LYS   3  -9.675   8.882   5.910
   26   2HD   LYS   3          3HD       LYS   3  -8.099   8.979   5.078
   27   1HE   LYS   3          2HE       LYS   3  -9.208   9.029   2.897
   28   2HE   LYS   3          3HE       LYS   3 -10.796   9.033   3.688
   29   1HZ   LYS   3          1HZ       LYS   3  -9.825  11.277   3.103
   30   2HZ   LYS   3          2HZ       LYS   3 -10.287  11.101   4.684
   31   3HZ   LYS   3          3HZ       LYS   3  -8.725  11.039   4.325
   32    H    HIS   4           H        HIS   4  -6.180   3.623   4.840
   33    HA   HIS   4           HA       HIS   4  -4.201   3.900   7.071
   34   1HB   HIS   4          2HB       HIS   4  -4.746   1.346   5.535
   35   2HB   HIS   4          3HB       HIS   4  -3.591   1.592   6.844
   36    HD1  HIS   4           1HD      HIS   4  -6.659  -0.192   6.617
   37    HD2  HIS   4           2HD      HIS   4  -5.256   2.946   9.061
   38    HE1  HIS   4           1HE      HIS   4  -8.140  -0.143   8.653
   39    H    GLU   5           H        GLU   5  -2.940   5.370   6.104
   40    HA   GLU   5           HA       GLU   5  -2.129   5.009   3.307
   41   1HB   GLU   5          2HB       GLU   5  -1.937   7.246   5.322
   42   2HB   GLU   5          3HB       GLU   5  -1.024   7.300   3.812
   43   1HG   GLU   5          2HG       GLU   5  -3.223   8.526   3.811
   44   2HG   GLU   5          3HG       GLU   5  -3.065   7.291   2.566
   45    H    PHE   6           H        PHE   6  -0.118   4.653   2.572
   46    HA   PHE   6           HA       PHE   6   2.068   4.228   4.538
   47   1HB   PHE   6          2HB       PHE   6   1.356   2.399   2.216
   48   2HB   PHE   6          3HB       PHE   6   2.720   2.212   3.315
   49    HD1  PHE   6           1HD      PHE   6   2.411   1.213   5.545
   50    HD2  PHE   6           2HD      PHE   6  -1.006   2.083   3.054
   51    HE1  PHE   6           1HE      PHE   6   0.887   0.283   7.240
   52    HE2  PHE   6           2HE      PHE   6  -2.461   0.882   4.644
   53    HZ   PHE   6           HZ       PHE   6  -1.516  -0.041   6.749
   54    H    SER   7           H        SER   7   4.031   4.904   3.835
   55    HA   SER   7           HA       SER   7   4.156   6.158   1.112
   56   1HB   SER   7          2HB       SER   7   4.512   7.719   3.060
   57   2HB   SER   7          3HB       SER   7   5.992   6.796   3.420
   58    HG   SER   7           HG       SER   7   6.564   7.331   1.146
   59    H    VAL   8           H        VAL   8   5.684   5.339  -0.212
   60    HA   VAL   8           HA       VAL   8   7.218   2.951   0.683
   61    HB   VAL   8           HB       VAL   8   5.656   3.255  -1.902
   62   1HG1  VAL   8          1HG1      VAL   8   5.934   0.697  -1.913
   63   2HG1  VAL   8          2HG1      VAL   8   7.395   1.595  -2.251
   64   3HG1  VAL   8          3HG1      VAL   8   7.137   0.904  -0.631
   65   1HG2  VAL   8          1HG2      VAL   8   4.099   1.548  -0.912
   66   2HG2  VAL   8          2HG2      VAL   8   4.913   1.765   0.645
   67   3HG2  VAL   8          3HG2      VAL   8   4.019   3.107  -0.098
   68    H    ASP   9           H        ASP   9   8.790   2.504  -1.305
   69    HA   ASP   9           HA       ASP   9   9.525   5.053  -2.640
   70   1HB   ASP   9          2HB       ASP   9  11.441   4.446  -1.271
   71   2HB   ASP   9          3HB       ASP   9  11.493   2.832  -2.031
   72    H    MET  10           H        MET  10   7.643   4.338  -3.879
   73    HA   MET  10           HA       MET  10   7.978   2.136  -5.690
   74   1HB   MET  10          2HB       MET  10   6.075   4.501  -5.644
   75   2HB   MET  10          3HB       MET  10   5.977   3.212  -6.847
   76   1HG   MET  10          2HG       MET  10   5.071   1.708  -5.409
   77   2HG   MET  10          3HG       MET  10   5.985   2.291  -4.026
   78   1HE   MET  10          1HE       MET  10   3.701   4.483  -6.388
   79   2HE   MET  10          2HE       MET  10   2.844   2.926  -6.287
   80   3HE   MET  10          3HE       MET  10   2.155   4.380  -5.518
   81    H    THR  11           H        THR  11  10.219   2.855  -6.222
   82    HA   THR  11           HA       THR  11  10.573   5.368  -7.548
   83    HB   THR  11           HB       THR  11  12.312   4.314  -6.182
   84    HG1  THR  11           1HG      THR  11  12.839   4.969  -8.874
   85   1HG2  THR  11          1HG2      THR  11  12.695   2.391  -8.522
   86   2HG2  THR  11          2HG2      THR  11  13.738   2.563  -7.097
   87   3HG2  THR  11          3HG2      THR  11  12.085   1.956  -6.909
   88    H    CYS  12           HN       CYS  12   9.088   2.665  -8.929
   89    HA   CYS  12           HA       CYS  12   9.192   4.047 -11.428
   90   1HB   CYS  12          2HB       CYS  12   9.954   2.266 -12.849
   91   2HB   CYS  12          3HB       CYS  12  11.199   2.534 -11.637
   92    H    GLY  13           H        GLY  13   7.578   3.030 -12.918
   93   1HA   GLY  13          2HA       GLY  13   5.062   2.561 -11.827
   94   2HA   GLY  13          3HA       GLY  13   5.586   2.026 -13.429
   95    H    GLY  14           H        GLY  14   7.668   0.234 -12.508
   96   1HA   GLY  14          2HA       GLY  14   6.241  -2.165 -12.238
   97   2HA   GLY  14          3HA       GLY  14   7.973  -1.923 -11.894
   98    H    CYS  15           HN       CYS  15   7.583   0.028  -9.710
   99    HA   CYS  15           HA       CYS  15   7.183  -1.835  -7.524
  100   1HB   CYS  15          2HB       CYS  15   7.249   1.181  -7.583
  101   2HB   CYS  15          3HB       CYS  15   7.261   0.148  -6.138
  102    H    ALA  16           H        ALA  16   5.219   0.772  -9.048
  103    HA   ALA  16           HA       ALA  16   3.004   0.588  -7.239
  104   1HB   ALA  16          1HB       ALA  16   3.232   2.482  -8.755
  105   2HB   ALA  16          2HB       ALA  16   3.035   1.429 -10.173
  106   3HB   ALA  16          3HB       ALA  16   1.696   1.647  -9.039
  107    H    GLU  17           H        GLU  17   3.694  -1.061 -10.367
  108    HA   GLU  17           HA       GLU  17   1.451  -2.711 -10.474
  109   1HB   GLU  17          2HB       GLU  17   3.419  -2.478 -12.170
  110   2HB   GLU  17          3HB       GLU  17   4.229  -3.715 -11.199
  111   1HG   GLU  17          2HG       GLU  17   1.959  -5.041 -11.475
  112   2HG   GLU  17          3HG       GLU  17   1.661  -3.876 -12.773
  113    H    ALA  18           H        ALA  18   4.604  -3.377  -8.844
  114    HA   ALA  18           HA       ALA  18   3.939  -5.914  -7.787
  115   1HB   ALA  18          1HB       ALA  18   5.795  -5.544  -6.235
  116   2HB   ALA  18          2HB       ALA  18   6.243  -4.969  -7.859
  117   3HB   ALA  18          3HB       ALA  18   5.787  -3.809  -6.589
  118    H    VAL  19           H        VAL  19   3.619  -2.667  -6.197
  119    HA   VAL  19           HA       VAL  19   2.579  -3.566  -3.763
  120    HB   VAL  19           HB       VAL  19   2.101  -1.055  -5.445
  121   1HG1  VAL  19          1HG1      VAL  19   1.227  -0.145  -3.260
  122   2HG1  VAL  19          2HG1      VAL  19   0.172  -1.310  -4.050
  123   3HG1  VAL  19          3HG1      VAL  19   1.194  -1.848  -2.685
  124   1HG2  VAL  19          1HG2      VAL  19   3.612  -1.268  -2.826
  125   2HG2  VAL  19          2HG2      VAL  19   4.439  -1.499  -4.381
  126   3HG2  VAL  19          3HG2      VAL  19   3.635   0.038  -4.013
  127    H    SER  20           H        SER  20   0.944  -2.653  -6.813
  128    HA   SER  20           HA       SER  20  -1.689  -3.074  -5.902
  129   1HB   SER  20          2HB       SER  20  -0.717  -2.005  -8.128
  130   2HB   SER  20          3HB       SER  20  -0.886  -3.626  -8.792
  131    HG   SER  20           HG       SER  20  -2.770  -2.351  -9.104
  132    H    ARG  21           H        ARG  21   0.479  -5.306  -7.657
  133    HA   ARG  21           HA       ARG  21  -1.180  -7.545  -7.717
  134   1HB   ARG  21          2HB       ARG  21   0.519  -8.355  -8.770
  135   2HB   ARG  21          3HB       ARG  21   1.438  -6.910  -8.472
  136   1HG   ARG  21          2HG       ARG  21   2.446  -7.904  -6.448
  137   2HG   ARG  21          3HG       ARG  21   1.511  -9.355  -6.671
  138   1HD   ARG  21          2HD       ARG  21   4.007  -8.409  -7.985
  139   2HD   ARG  21          3HD       ARG  21   3.455 -10.036  -7.686
  140    HE   ARG  21           HE       ARG  21   2.266 -10.093  -9.722
  141   1HH1  ARG  21          2HH2      ARG  21   4.071  -6.982  -9.420
  142   2HH1  ARG  21          1HH2      ARG  21   3.861  -6.673 -11.144
  143   1HH2  ARG  21          2HH1      ARG  21   2.117  -9.471 -12.027
  144   2HH2  ARG  21          1HH1      ARG  21   2.862  -7.927 -12.457
  145    H    VAL  22           H        VAL  22   0.984  -6.453  -5.053
  146    HA   VAL  22           HA       VAL  22   0.742  -8.775  -3.442
  147    HB   VAL  22           HB       VAL  22   1.788  -5.950  -3.349
  148   1HG1  VAL  22          1HG1      VAL  22   2.429  -6.181  -1.006
  149   2HG1  VAL  22          2HG1      VAL  22   0.721  -5.864  -1.353
  150   3HG1  VAL  22          3HG1      VAL  22   1.245  -7.518  -0.875
  151   1HG2  VAL  22          1HG2      VAL  22   3.061  -8.556  -2.586
  152   2HG2  VAL  22          2HG2      VAL  22   3.134  -7.784  -4.190
  153   3HG2  VAL  22          3HG2      VAL  22   3.822  -6.943  -2.788
  154    H    LEU  23           H        LEU  23  -0.825  -5.558  -3.393
  155    HA   LEU  23           HA       LEU  23  -2.590  -6.178  -1.211
  156   1HB   LEU  23          2HB       LEU  23  -2.181  -3.983  -3.153
  157   2HB   LEU  23          3HB       LEU  23  -3.810  -4.093  -2.629
  158    HG   LEU  23           HG       LEU  23  -1.416  -4.137  -0.722
  159   1HD1  LEU  23          1HD1      LEU  23  -3.110  -1.756  -1.573
  160   2HD1  LEU  23          2HD1      LEU  23  -1.708  -1.758  -0.466
  161   3HD1  LEU  23          3HD1      LEU  23  -1.468  -2.078  -2.180
  162   1HD2  LEU  23          1HD2      LEU  23  -4.339  -3.392  -0.367
  163   2HD2  LEU  23          2HD2      LEU  23  -3.675  -4.933   0.198
  164   3HD2  LEU  23          3HD2      LEU  23  -3.127  -3.411   0.931
  165    H    ASN  24           H        ASN  24  -2.866  -6.521  -4.758
  166    HA   ASN  24           HA       ASN  24  -5.621  -7.195  -4.816
  167   1HB   ASN  24          2HB       ASN  24  -4.387  -6.584  -6.825
  168   2HB   ASN  24          3HB       ASN  24  -3.376  -8.031  -6.686
  169   1HD2  ASN  24          1HD2      ASN  24  -6.632  -8.802  -5.768
  170   2HD2  ASN  24          2HD2      ASN  24  -7.075  -9.441  -7.331
  171    H    LYS  25           H        LYS  25  -2.670  -9.208  -4.304
  172    HA   LYS  25           HA       LYS  25  -3.889 -11.692  -4.147
  173   1HB   LYS  25          2HB       LYS  25  -1.400 -10.922  -3.677
  174   2HB   LYS  25          3HB       LYS  25  -1.906 -10.960  -1.986
  175   1HG   LYS  25          2HG       LYS  25  -2.806 -13.288  -2.374
  176   2HG   LYS  25          3HG       LYS  25  -2.088 -13.241  -4.002
  177   1HD   LYS  25          2HD       LYS  25   0.158 -12.824  -2.950
  178   2HD   LYS  25          3HD       LYS  25  -0.569 -13.020  -1.353
  179   1HE   LYS  25          2HE       LYS  25  -0.410 -15.116  -3.586
  180   2HE   LYS  25          3HE       LYS  25   0.541 -15.103  -2.096
  181   1HZ   LYS  25          1HZ       LYS  25  -2.383 -15.450  -2.270
  182   2HZ   LYS  25          2HZ       LYS  25  -1.283 -16.619  -1.932
  183   3HZ   LYS  25          3HZ       LYS  25  -1.525 -15.391  -0.866
  184    H    LEU  26           H        LEU  26  -3.867  -9.189  -1.634
  185    HA   LEU  26           HA       LEU  26  -5.517 -10.619   0.292
  186   1HB   LEU  26          2HB       LEU  26  -4.124  -8.817   0.972
  187   2HB   LEU  26          3HB       LEU  26  -4.881  -7.678  -0.120
  188    HG   LEU  26           HG       LEU  26  -5.678  -6.970   1.838
  189   1HD1  LEU  26          1HD1      LEU  26  -7.591  -7.475   0.332
  190   2HD1  LEU  26          2HD1      LEU  26  -7.912  -8.928   1.338
  191   3HD1  LEU  26          3HD1      LEU  26  -7.894  -7.329   2.065
  192   1HD2  LEU  26          1HD2      LEU  26  -4.772  -8.733   3.264
  193   2HD2  LEU  26          2HD2      LEU  26  -6.442  -8.313   3.690
  194   3HD2  LEU  26          3HD2      LEU  26  -6.103  -9.820   2.791
  195    H    GLY  27           H        GLY  27  -6.274  -8.052  -2.138
  196   1HA   GLY  27          2HA       GLY  27  -7.883  -8.400  -3.822
  197   2HA   GLY  27          3HA       GLY  27  -8.748  -9.567  -2.835
  198    H    GLY  28           H        GLY  28  -9.563  -8.343  -0.621
  199   1HA   GLY  28          2HA       GLY  28 -11.676  -6.675  -1.642
  200   2HA   GLY  28          3HA       GLY  28 -11.418  -7.161   0.035
  201    H    VAL  29           H        VAL  29  -9.268  -5.251  -2.070
  202    HA   VAL  29           HA       VAL  29  -9.220  -3.039  -0.055
  203    HB   VAL  29           HB       VAL  29  -6.808  -2.853  -0.818
  204   1HG1  VAL  29          1HG1      VAL  29  -6.047  -4.943   0.487
  205   2HG1  VAL  29          2HG1      VAL  29  -7.160  -3.836   1.315
  206   3HG1  VAL  29          3HG1      VAL  29  -7.748  -5.357   0.615
  207   1HG2  VAL  29          1HG2      VAL  29  -5.722  -4.631  -1.909
  208   2HG2  VAL  29          2HG2      VAL  29  -7.108  -5.719  -1.802
  209   3HG2  VAL  29          3HG2      VAL  29  -7.141  -4.352  -2.923
  210    H    LYS  30           H        LYS  30  -9.094  -0.884  -0.934
  211    HA   LYS  30           HA       LYS  30  -8.357  -0.685  -3.715
  212   1HB   LYS  30          2HB       LYS  30 -10.948   0.449  -2.667
  213   2HB   LYS  30          3HB       LYS  30 -10.018   1.370  -3.845
  214   1HG   LYS  30          2HG       LYS  30 -11.019  -1.474  -4.308
  215   2HG   LYS  30          3HG       LYS  30 -11.800   0.004  -4.811
  216   1HD   LYS  30          2HD       LYS  30 -10.788  -0.444  -6.768
  217   2HD   LYS  30          3HD       LYS  30  -9.582   0.615  -6.064
  218   1HE   LYS  30          2HE       LYS  30  -8.742  -1.385  -7.331
  219   2HE   LYS  30          3HE       LYS  30  -8.040  -1.204  -5.739
  220   1HZ   LYS  30          1HZ       LYS  30  -9.485  -2.904  -4.928
  221   2HZ   LYS  30          2HZ       LYS  30 -10.269  -3.037  -6.374
  222   3HZ   LYS  30          3HZ       LYS  30  -8.684  -3.470  -6.232
  223    H    TYR  31           H        TYR  31  -7.263   1.263  -4.152
  224    HA   TYR  31           HA       TYR  31  -6.386   2.764  -1.869
  225   1HB   TYR  31          2HB       TYR  31  -3.971   1.880  -2.275
  226   2HB   TYR  31          3HB       TYR  31  -5.094   0.866  -1.387
  227    HD1  TYR  31           HD1      TYR  31  -2.914   0.942  -4.259
  228    HD2  TYR  31           HD2      TYR  31  -6.161  -1.142  -2.370
  229    HE1  TYR  31           HE1      TYR  31  -2.659  -0.931  -5.869
  230    HE2  TYR  31           HE2      TYR  31  -6.051  -2.896  -4.123
  231    HH   TYR  31           HH       TYR  31  -3.702  -2.839  -6.784
  232    H    ASP  32           H        ASP  32  -5.081   4.521  -2.467
  233    HA   ASP  32           HA       ASP  32  -5.096   5.143  -5.385
  234   1HB   ASP  32          2HB       ASP  32  -6.170   6.869  -3.927
  235   2HB   ASP  32          3HB       ASP  32  -4.640   7.044  -3.052
  236    H    ILE  33           H        ILE  33  -3.087   5.925  -6.240
  237    HA   ILE  33           HA       ILE  33  -0.699   4.571  -5.064
  238    HB   ILE  33           HB       ILE  33  -2.098   4.239  -7.748
  239   1HG1  ILE  33          2HG1      ILE  33  -1.396   2.190  -5.610
  240   2HG1  ILE  33          3HG1      ILE  33  -3.006   2.923  -5.763
  241   1HG2  ILE  33          1HG2      ILE  33   0.346   4.284  -8.053
  242   2HG2  ILE  33          2HG2      ILE  33   0.520   3.029  -6.806
  243   3HG2  ILE  33          3HG2      ILE  33  -0.312   2.676  -8.343
  244   1HD1  ILE  33          1HD1      ILE  33  -1.783   0.980  -7.695
  245   2HD1  ILE  33          2HD1      ILE  33  -3.398   1.005  -6.946
  246   3HD1  ILE  33          3HD1      ILE  33  -3.023   2.147  -8.221
  247    H    ASP  34           H        ASP  34   0.311   6.554  -4.707
  248    HA   ASP  34           HA       ASP  34   0.535   8.447  -7.015
  249   1HB   ASP  34          2HB       ASP  34  -0.046   9.366  -4.782
  250   2HB   ASP  34          3HB       ASP  34   1.533   8.808  -4.190
  251    H    LEU  35           H        LEU  35   2.124   7.932  -8.363
  252    HA   LEU  35           HA       LEU  35   4.481   6.394  -7.553
  253   1HB   LEU  35          2HB       LEU  35   3.368   7.430 -10.130
  254   2HB   LEU  35          3HB       LEU  35   5.115   7.216 -10.014
  255    HG   LEU  35           HG       LEU  35   3.203   5.007  -9.156
  256   1HD1  LEU  35          1HD1      LEU  35   3.333   4.017 -11.386
  257   2HD1  LEU  35          2HD1      LEU  35   2.587   5.620 -11.474
  258   3HD1  LEU  35          3HD1      LEU  35   4.280   5.399 -11.979
  259   1HD2  LEU  35          1HD2      LEU  35   5.118   3.524  -9.703
  260   2HD2  LEU  35          2HD2      LEU  35   6.047   4.909 -10.292
  261   3HD2  LEU  35          3HD2      LEU  35   5.644   4.777  -8.573
  262    HA   PRO  36           HA       PRO  36   6.872  10.397  -8.557
  263   1HB   PRO  36          2HB       PRO  36   5.550  12.847  -8.286
  264   2HB   PRO  36          3HB       PRO  36   5.892  11.995  -9.818
  265   1HG   PRO  36          2HG       PRO  36   3.356  11.931  -8.179
  266   2HG   PRO  36          3HG       PRO  36   3.514  12.128  -9.948
  267   1HD   PRO  36          2HD       PRO  36   2.888   9.759  -8.903
  268   2HD   PRO  36          3HD       PRO  36   4.086   9.819 -10.224
  269    H    ASN  37           H        ASN  37   4.263  10.519  -6.144
  270    HA   ASN  37           HA       ASN  37   6.220  11.504  -4.082
  271   1HB   ASN  37          2HB       ASN  37   3.220  11.218  -3.776
  272   2HB   ASN  37          3HB       ASN  37   4.358  11.886  -2.633
  273   1HD2  ASN  37          1HD2      ASN  37   2.306  12.710  -5.248
  274   2HD2  ASN  37          2HD2      ASN  37   2.907  14.355  -5.472
  275    H    LYS  38           H        LYS  38   5.352   8.586  -5.346
  276    HA   LYS  38           HA       LYS  38   5.428   6.448  -4.639
  277   1HB   LYS  38          2HB       LYS  38   7.557   7.809  -2.921
  278   2HB   LYS  38          3HB       LYS  38   7.348   6.085  -3.048
  279   1HG   LYS  38          2HG       LYS  38   8.870   6.232  -4.727
  280   2HG   LYS  38          3HG       LYS  38   7.437   6.579  -5.678
  281   1HD   LYS  38          2HD       LYS  38   8.877   8.273  -6.348
  282   2HD   LYS  38          3HD       LYS  38   7.899   9.071  -5.132
  283   1HE   LYS  38          2HE       LYS  38  10.181   9.704  -4.756
  284   2HE   LYS  38          3HE       LYS  38   9.707   8.647  -3.419
  285   1HZ   LYS  38          1HZ       LYS  38  10.926   6.846  -4.462
  286   2HZ   LYS  38          2HZ       LYS  38  11.254   7.754  -5.783
  287   3HZ   LYS  38          3HZ       LYS  38  11.900   8.121  -4.319
  288    H    LYS  39           H        LYS  39   3.079   6.746  -3.698
  289    HA   LYS  39           HA       LYS  39   3.132   5.959  -0.870
  290   1HB   LYS  39          2HB       LYS  39   1.993   8.541  -2.010
  291   2HB   LYS  39          3HB       LYS  39   1.200   7.797  -0.643
  292   1HG   LYS  39          2HG       LYS  39   3.034   8.135   0.800
  293   2HG   LYS  39          3HG       LYS  39   4.172   8.353  -0.536
  294   1HD   LYS  39          2HD       LYS  39   2.975  10.433  -1.199
  295   2HD   LYS  39          3HD       LYS  39   1.987  10.296   0.276
  296   1HE   LYS  39          2HE       LYS  39   4.046  10.396   1.664
  297   2HE   LYS  39          3HE       LYS  39   5.059  10.375   0.212
  298   1HZ   LYS  39          1HZ       LYS  39   3.187  12.533   0.914
  299   2HZ   LYS  39          2HZ       LYS  39   4.826  12.578   1.076
  300   3HZ   LYS  39          3HZ       LYS  39   4.154  12.482  -0.420
  301    H    VAL  40           H        VAL  40   1.190   5.075  -0.154
  302    HA   VAL  40           HA       VAL  40  -0.690   4.115  -2.227
  303    HB   VAL  40           HB       VAL  40   0.650   2.467  -0.049
  304   1HG1  VAL  40          1HG1      VAL  40  -0.397   0.575  -1.244
  305   2HG1  VAL  40          2HG1      VAL  40  -1.621   1.736  -0.702
  306   3HG1  VAL  40          3HG1      VAL  40  -1.133   1.704  -2.407
  307   1HG2  VAL  40          1HG2      VAL  40   1.161   2.495  -3.036
  308   2HG2  VAL  40          2HG2      VAL  40   2.293   3.063  -1.777
  309   3HG2  VAL  40          3HG2      VAL  40   1.862   1.362  -1.838
  310    H    CYS  41           H        CYS  41  -2.661   4.971  -1.486
  311    HA   CYS  41           HA       CYS  41  -3.057   5.285   1.481
  312   1HB   CYS  41          2HB       CYS  41  -4.418   6.769  -0.771
  313   2HB   CYS  41          3HB       CYS  41  -4.591   7.053   0.928
  314    HG   CYS  41           HG       CYS  41  -1.958   7.335  -1.056
  315    H    ILE  42           H        ILE  42  -4.328   3.673   2.331
  316    HA   ILE  42           HA       ILE  42  -5.942   2.249   0.312
  317    HB   ILE  42           HB       ILE  42  -4.888   1.060   2.892
  318   1HG1  ILE  42          2HG1      ILE  42  -3.584   1.121   0.158
  319   2HG1  ILE  42          3HG1      ILE  42  -2.967   1.851   1.640
  320   1HG2  ILE  42          1HG2      ILE  42  -6.051  -0.086   0.301
  321   2HG2  ILE  42          2HG2      ILE  42  -5.336  -1.087   1.543
  322   3HG2  ILE  42          3HG2      ILE  42  -6.769  -0.137   1.910
  323   1HD1  ILE  42          1HD1      ILE  42  -3.168  -1.137   1.224
  324   2HD1  ILE  42          2HD1      ILE  42  -1.742  -0.135   1.010
  325   3HD1  ILE  42          3HD1      ILE  42  -2.427  -0.298   2.604
  326    H    GLU  43           H        GLU  43  -8.093   1.979   0.532
  327    HA   GLU  43           HA       GLU  43  -9.372   2.519   3.177
  328   1HB   GLU  43          2HB       GLU  43 -10.204   3.489   0.424
  329   2HB   GLU  43          3HB       GLU  43 -11.366   3.269   1.739
  330   1HG   GLU  43          2HG       GLU  43 -10.062   4.745   3.207
  331   2HG   GLU  43          3HG       GLU  43  -8.915   5.060   1.888
  332    H    SER  44           H        SER  44 -10.278   0.775   3.926
  333    HA   SER  44           HA       SER  44 -12.240  -0.656   2.538
  334   1HB   SER  44          2HB       SER  44 -10.325  -1.962   1.638
  335   2HB   SER  44          3HB       SER  44  -9.802  -2.308   3.299
  336    HG   SER  44           HG       SER  44 -11.371  -3.820   2.011
  337    H    GLU  45           H        GLU  45 -12.671  -2.648   4.296
  338    HA   GLU  45           HA       GLU  45 -12.936  -1.659   7.048
  339   1HB   GLU  45          2HB       GLU  45 -14.170  -3.630   6.497
  340   2HB   GLU  45          3HB       GLU  45 -12.789  -4.438   5.751
  341   1HG   GLU  45          2HG       GLU  45 -12.843  -3.792   8.724
  342   2HG   GLU  45          3HG       GLU  45 -13.547  -5.266   8.054
  343    H    HIS  46           H        HIS  46 -10.742  -3.749   5.327
  344    HA   HIS  46           HA       HIS  46  -9.076  -4.809   6.858
  345   1HB   HIS  46          2HB       HIS  46  -8.076  -3.294   4.486
  346   2HB   HIS  46          3HB       HIS  46  -7.250  -4.627   5.322
  347    HD1  HIS  46           1HD      HIS  46  -9.671  -6.616   5.786
  348    HD2  HIS  46           2HD      HIS  46  -9.084  -4.367   2.294
  349    HE1  HIS  46           1HE      HIS  46 -10.457  -8.059   3.818
  350    H    SER  47           H        SER  47  -8.948  -4.057   8.829
  351    HA   SER  47           HA       SER  47  -7.671  -1.972   9.991
  352   1HB   SER  47          2HB       SER  47  -8.447  -4.167  11.036
  353   2HB   SER  47          3HB       SER  47  -6.820  -4.796  10.708
  354    HG   SER  47           HG       SER  47  -6.021  -3.433  12.234
  355    H    MET  48           H        MET  48  -5.674  -1.098  10.208
  356    HA   MET  48           HA       MET  48  -3.846  -1.157   8.154
  357   1HB   MET  48          2HB       MET  48  -2.198  -0.137   9.721
  358   2HB   MET  48          3HB       MET  48  -3.747   0.690   9.610
  359   1HG   MET  48          2HG       MET  48  -3.400  -1.361  11.759
  360   2HG   MET  48          3HG       MET  48  -2.578   0.186  11.955
  361   1HE   MET  48          1HE       MET  48  -5.751   0.136  14.372
  362   2HE   MET  48          2HE       MET  48  -4.921  -1.322  13.780
  363   3HE   MET  48          3HE       MET  48  -3.971   0.087  14.318
  364    H    ASP  49           H        ASP  49  -3.906  -3.309  10.962
  365    HA   ASP  49           HA       ASP  49  -1.335  -4.422  10.785
  366   1HB   ASP  49          2HB       ASP  49  -3.788  -5.998  11.658
  367   2HB   ASP  49          3HB       ASP  49  -2.155  -6.015  12.322
  368    H    THR  50           H        THR  50  -4.469  -5.613   9.537
  369    HA   THR  50           HA       THR  50  -3.600  -7.928   8.220
  370    HB   THR  50           HB       THR  50  -5.935  -6.135   7.405
  371    HG1  THR  50           1HG      THR  50  -5.726  -7.848   9.653
  372   1HG2  THR  50          1HG2      THR  50  -5.649  -9.173   7.584
  373   2HG2  THR  50          2HG2      THR  50  -7.089  -8.277   7.058
  374   3HG2  THR  50          3HG2      THR  50  -5.606  -8.219   6.086
  375    H    LEU  51           H        LEU  51  -4.080  -4.571   7.071
  376    HA   LEU  51           HA       LEU  51  -3.193  -5.043   4.367
  377   1HB   LEU  51          2HB       LEU  51  -3.079  -2.523   6.070
  378   2HB   LEU  51          3HB       LEU  51  -2.638  -2.637   4.363
  379    HG   LEU  51           HG       LEU  51  -5.384  -2.979   5.610
  380   1HD1  LEU  51          1HD1      LEU  51  -4.194  -1.332   3.359
  381   2HD1  LEU  51          2HD1      LEU  51  -5.846  -1.133   4.017
  382   3HD1  LEU  51          3HD1      LEU  51  -4.420  -0.744   5.014
  383   1HD2  LEU  51          1HD2      LEU  51  -4.500  -3.734   2.781
  384   2HD2  LEU  51          2HD2      LEU  51  -5.346  -4.777   3.948
  385   3HD2  LEU  51          3HD2      LEU  51  -6.172  -3.389   3.238
  386    H    LEU  52           H        LEU  52  -1.392  -3.810   7.239
  387    HA   LEU  52           HA       LEU  52   1.049  -3.448   6.075
  388   1HB   LEU  52          2HB       LEU  52   0.183  -4.133   8.822
  389   2HB   LEU  52          3HB       LEU  52   1.886  -4.322   8.408
  390    HG   LEU  52           HG       LEU  52   0.369  -1.828   7.621
  391   1HD1  LEU  52          1HD1      LEU  52   1.041  -0.740   9.684
  392   2HD1  LEU  52          2HD1      LEU  52  -0.034  -2.114   9.986
  393   3HD1  LEU  52          3HD1      LEU  52   1.713  -2.287  10.286
  394   1HD2  LEU  52          1HD2      LEU  52   2.711  -0.824   7.930
  395   2HD2  LEU  52          2HD2      LEU  52   3.299  -2.456   8.259
  396   3HD2  LEU  52          3HD2      LEU  52   2.630  -2.048   6.657
  397    H    ALA  53           H        ALA  53  -0.077  -6.498   7.638
  398    HA   ALA  53           HA       ALA  53   2.195  -8.061   7.059
  399   1HB   ALA  53          1HB       ALA  53  -0.738  -8.922   7.159
  400   2HB   ALA  53          2HB       ALA  53   0.666  -9.998   7.327
  401   3HB   ALA  53          3HB       ALA  53   0.346  -8.760   8.558
  402    H    THR  54           H        THR  54  -0.501  -7.159   4.886
  403    HA   THR  54           HA       THR  54   0.316  -8.958   2.761
  404    HB   THR  54           HB       THR  54  -1.464  -6.474   2.637
  405    HG1  THR  54           1HG      THR  54  -2.317  -7.838   4.215
  406   1HG2  THR  54          1HG2      THR  54  -2.407  -7.513   0.748
  407   2HG2  THR  54          2HG2      THR  54  -0.665  -7.468   0.502
  408   3HG2  THR  54          3HG2      THR  54  -1.444  -8.997   0.982
  409    H    LEU  55           H        LEU  55   0.574  -5.449   3.455
  410    HA   LEU  55           HA       LEU  55   1.652  -4.777   0.919
  411   1HB   LEU  55          2HB       LEU  55   0.756  -3.465   3.345
  412   2HB   LEU  55          3HB       LEU  55   2.291  -2.753   2.836
  413    HG   LEU  55           HG       LEU  55  -0.379  -2.710   1.479
  414   1HD1  LEU  55          1HD1      LEU  55   0.270  -0.225   1.583
  415   2HD1  LEU  55          2HD1      LEU  55   0.107  -1.025   3.162
  416   3HD1  LEU  55          3HD1      LEU  55   1.703  -0.684   2.465
  417   1HD2  LEU  55          1HD2      LEU  55   0.729  -1.424  -0.342
  418   2HD2  LEU  55          2HD2      LEU  55   2.310  -2.024   0.221
  419   3HD2  LEU  55          3HD2      LEU  55   1.070  -3.151  -0.402
  420    H    LYS  56           H        LYS  56   3.124  -5.417   4.097
  421    HA   LYS  56           HA       LYS  56   5.824  -4.957   3.728
  422   1HB   LYS  56          2HB       LYS  56   4.129  -6.841   5.294
  423   2HB   LYS  56          3HB       LYS  56   5.686  -7.483   4.930
  424   1HG   LYS  56          2HG       LYS  56   5.665  -6.455   7.048
  425   2HG   LYS  56          3HG       LYS  56   6.860  -5.690   6.009
  426   1HD   LYS  56          2HD       LYS  56   4.100  -4.482   6.569
  427   2HD   LYS  56          3HD       LYS  56   5.479  -4.285   7.651
  428   1HE   LYS  56          2HE       LYS  56   6.758  -3.433   5.515
  429   2HE   LYS  56          3HE       LYS  56   5.125  -3.161   4.864
  430   1HZ   LYS  56          1HZ       LYS  56   4.703  -1.721   6.732
  431   2HZ   LYS  56          2HZ       LYS  56   6.200  -2.009   7.357
  432   3HZ   LYS  56          3HZ       LYS  56   6.040  -1.220   5.937
  433    H    LYS  57           H        LYS  57   3.923  -7.406   1.964
  434    HA   LYS  57           HA       LYS  57   6.199  -9.021   1.285
  435   1HB   LYS  57          2HB       LYS  57   3.545  -8.708  -0.142
  436   2HB   LYS  57          3HB       LYS  57   4.700 -10.017  -0.392
  437   1HG   LYS  57          2HG       LYS  57   3.298  -9.446   2.265
  438   2HG   LYS  57          3HG       LYS  57   2.740 -10.598   1.057
  439   1HD   LYS  57          2HD       LYS  57   4.802 -11.907   1.287
  440   2HD   LYS  57          3HD       LYS  57   5.458 -10.764   2.462
  441   1HE   LYS  57          2HE       LYS  57   2.873 -12.358   2.844
  442   2HE   LYS  57          3HE       LYS  57   4.454 -12.827   3.482
  443   1HZ   LYS  57          1HZ       LYS  57   4.478 -10.785   4.764
  444   2HZ   LYS  57          2HZ       LYS  57   2.983 -10.363   4.235
  445   3HZ   LYS  57          3HZ       LYS  57   3.176 -11.709   5.139
  446    H    THR  58           H        THR  58   5.325  -5.831   0.135
  447    HA   THR  58           HA       THR  58   6.771  -5.922  -2.393
  448    HB   THR  58           HB       THR  58   7.027  -3.503  -1.991
  449    HG1  THR  58           1HG      THR  58   7.214  -3.553   0.300
  450   1HG2  THR  58          1HG2      THR  58   4.636  -2.950  -1.887
  451   2HG2  THR  58          2HG2      THR  58   4.938  -4.329  -2.976
  452   3HG2  THR  58          3HG2      THR  58   4.257  -4.590  -1.353
  453    H    GLY  59           H        GLY  59   7.633  -5.634   1.020
  454   1HA   GLY  59          2HA       GLY  59   9.521  -5.402   2.123
  455   2HA   GLY  59          3HA       GLY  59  10.222  -6.550   0.955
  456    H    LYS  60           H        LYS  60   9.163  -3.104   0.768
  457    HA   LYS  60           HA       LYS  60  11.912  -2.216   0.106
  458   1HB   LYS  60          2HB       LYS  60   9.363  -0.997  -0.999
  459   2HB   LYS  60          3HB       LYS  60  11.039  -0.743  -1.488
  460   1HG   LYS  60          2HG       LYS  60  11.105  -3.227  -2.177
  461   2HG   LYS  60          3HG       LYS  60   9.360  -3.227  -1.951
  462   1HD   LYS  60          2HD       LYS  60   9.819  -3.016  -4.250
  463   2HD   LYS  60          3HD       LYS  60   9.075  -1.510  -3.693
  464   1HE   LYS  60          2HE       LYS  60  11.153  -0.301  -3.763
  465   2HE   LYS  60          3HE       LYS  60  12.114  -1.794  -3.803
  466   1HZ   LYS  60          1HZ       LYS  60  11.297  -2.166  -6.041
  467   2HZ   LYS  60          2HZ       LYS  60  10.463  -0.746  -6.018
  468   3HZ   LYS  60          3HZ       LYS  60  12.090  -0.732  -5.907
  469    H    THR  61           H        THR  61  11.187   0.541   0.168
  470    HA   THR  61           HA       THR  61  11.224   1.031   2.872
  471    HB   THR  61           HB       THR  61  10.630   3.130   0.861
  472    HG1  THR  61           1HG      THR  61  12.685   2.875  -0.021
  473   1HG2  THR  61          1HG2      THR  61  11.292   3.771   3.179
  474   2HG2  THR  61          2HG2      THR  61  12.814   2.873   2.975
  475   3HG2  THR  61          3HG2      THR  61  12.485   4.306   1.980
  476    H    VAL  62           H        VAL  62   8.802  -0.295   2.728
  477    HA   VAL  62           HA       VAL  62   6.598   1.618   2.413
  478    HB   VAL  62           HB       VAL  62   6.199  -0.304   1.382
  479   1HG1  VAL  62          1HG1      VAL  62   7.682  -1.951   2.165
  480   2HG1  VAL  62          2HG1      VAL  62   7.097  -1.828   3.833
  481   3HG1  VAL  62          3HG1      VAL  62   6.087  -2.579   2.574
  482   1HG2  VAL  62          1HG2      VAL  62   4.583  -0.619   3.933
  483   2HG2  VAL  62          2HG2      VAL  62   4.285   0.589   2.667
  484   3HG2  VAL  62          3HG2      VAL  62   4.157  -1.135   2.294
  485    H    SER  63           H        SER  63   6.872   3.033   3.937
  486    HA   SER  63           HA       SER  63   6.816   2.379   6.832
  487   1HB   SER  63          2HB       SER  63   6.835   5.042   5.342
  488   2HB   SER  63          3HB       SER  63   7.001   4.835   7.095
  489    HG   SER  63           HG       SER  63   9.041   5.000   5.934
  490    H    TYR  64           H        TYR  64   5.015   2.836   8.157
  491    HA   TYR  64           HA       TYR  64   2.412   3.212   6.837
  492   1HB   TYR  64          2HB       TYR  64   2.643   1.502   8.600
  493   2HB   TYR  64          3HB       TYR  64   3.207   2.731   9.728
  494    HD1  TYR  64           HD1      TYR  64   0.262   2.910   7.348
  495    HD2  TYR  64           HD2      TYR  64   1.579   2.620  11.447
  496    HE1  TYR  64           HE1      TYR  64  -2.059   3.140   8.107
  497    HE2  TYR  64           HE2      TYR  64  -0.765   2.822  12.199
  498    HH   TYR  64           HH       TYR  64  -3.002   2.928  11.544
  499    H    LEU  65           H        LEU  65   1.244   5.063   6.955
  500    HA   LEU  65           HA       LEU  65   2.413   7.494   8.241
  501   1HB   LEU  65          2HB       LEU  65   0.732   7.089   5.749
  502   2HB   LEU  65          3HB       LEU  65   0.903   8.644   6.513
  503    HG   LEU  65           HG       LEU  65   2.444   7.731   4.474
  504   1HD1  LEU  65          1HD1      LEU  65   2.215  10.055   5.177
  505   2HD1  LEU  65          2HD1      LEU  65   3.286   9.754   6.572
  506   3HD1  LEU  65          3HD1      LEU  65   3.913   9.634   4.912
  507   1HD2  LEU  65          1HD2      LEU  65   3.764   6.110   5.714
  508   2HD2  LEU  65          2HD2      LEU  65   4.781   7.487   5.306
  509   3HD2  LEU  65          3HD2      LEU  65   4.196   7.331   6.944
  510    H    GLY  66           H        GLY  66   0.349   9.076   8.504
  511   1HA   GLY  66          2HA       GLY  66  -0.947   8.092  10.813
  512   2HA   GLY  66          3HA       GLY  66  -1.374   9.561   9.918
  513    H    LEU  67           H        LEU  67  -3.374   8.260  11.119
  514    HA   LEU  67           HA       LEU  67  -4.904   6.770   9.068
  515   1HB   LEU  67          2HB       LEU  67  -4.305   5.438  11.004
  516   2HB   LEU  67          3HB       LEU  67  -4.831   6.683  12.137
  517    HG   LEU  67           HG       LEU  67  -6.803   5.587  10.171
  518   1HD1  LEU  67          1HD1      LEU  67  -6.048   4.182  12.781
  519   2HD1  LEU  67          2HD1      LEU  67  -7.349   3.702  11.669
  520   3HD1  LEU  67          3HD1      LEU  67  -5.658   3.579  11.166
  521   1HD2  LEU  67          1HD2      LEU  67  -7.509   7.415  11.777
  522   2HD2  LEU  67          2HD2      LEU  67  -8.400   5.916  12.038
  523   3HD2  LEU  67          3HD2      LEU  67  -7.070   6.362  13.123
  524    H    GLU  68           H        GLU  68  -6.907   7.720   8.598
  525    HA   GLU  68           HA       GLU  68  -7.786  10.128  10.161
  526   1HB   GLU  68          2HB       GLU  68  -8.008   9.495   7.221
  527   2HB   GLU  68          3HB       GLU  68  -8.969  10.746   8.020
  528   1HG   GLU  68          2HG       GLU  68  -6.812  11.888   8.643
  529   2HG   GLU  68          3HG       GLU  68  -5.946  10.691   7.662
  Start of MODEL    5
    1   1H    MET   1           H1       MET   1 -14.580   3.110   5.435
    2   2H    MET   1           H2       MET   1 -15.701   4.254   5.006
    3   3H    MET   1           H3       MET   1 -14.205   4.282   4.352
    4    HA   MET   1           HA       MET   1 -14.276   5.986   5.838
    5   1HB   MET   1          2HB       MET   1 -15.502   3.984   7.718
    6   2HB   MET   1          3HB       MET   1 -14.512   5.306   8.369
    7   1HG   MET   1          2HG       MET   1 -15.905   6.959   7.233
    8   2HG   MET   1          3HG       MET   1 -16.921   5.671   6.557
    9   1HE   MET   1          1HE       MET   1 -17.955   8.231   8.211
   10   2HE   MET   1          2HE       MET   1 -19.031   6.997   7.501
   11   3HE   MET   1          3HE       MET   1 -19.206   7.457   9.212
   12    HA   PRO   2           HA       PRO   2 -10.682   4.289   8.348
   13   1HB   PRO   2          2HB       PRO   2 -10.077   1.559   8.305
   14   2HB   PRO   2          3HB       PRO   2 -10.948   2.447   9.584
   15   1HG   PRO   2          2HG       PRO   2 -12.114   0.889   7.275
   16   2HG   PRO   2          3HG       PRO   2 -12.618   0.853   8.987
   17   1HD   PRO   2          2HD       PRO   2 -13.976   2.286   7.192
   18   2HD   PRO   2          3HD       PRO   2 -13.624   3.004   8.795
   19    H    LYS   3           H        LYS   3  -9.012   5.046   7.166
   20    HA   LYS   3           HA       LYS   3  -8.004   3.353   4.992
   21   1HB   LYS   3          2HB       LYS   3  -7.784   5.041   3.390
   22   2HB   LYS   3          3HB       LYS   3  -9.385   5.309   4.077
   23   1HG   LYS   3          2HG       LYS   3  -8.138   7.050   5.628
   24   2HG   LYS   3          3HG       LYS   3  -6.787   6.840   4.529
   25   1HD   LYS   3          2HD       LYS   3  -7.736   8.561   3.402
   26   2HD   LYS   3          3HD       LYS   3  -8.699   7.274   2.667
   27   1HE   LYS   3          2HE       LYS   3  -9.463   9.222   4.883
   28   2HE   LYS   3          3HE       LYS   3 -10.228   8.993   3.298
   29   1HZ   LYS   3          1HZ       LYS   3 -10.890   6.738   4.155
   30   2HZ   LYS   3          2HZ       LYS   3 -10.361   7.253   5.669
   31   3HZ   LYS   3          3HZ       LYS   3 -11.578   8.000   4.933
   32    H    HIS   4           H        HIS   4  -5.893   3.515   4.452
   33    HA   HIS   4           HA       HIS   4  -4.190   4.214   6.807
   34   1HB   HIS   4          2HB       HIS   4  -3.976   1.732   5.061
   35   2HB   HIS   4          3HB       HIS   4  -3.361   1.990   6.681
   36    HD1  HIS   4           1HD      HIS   4  -6.572   1.111   4.810
   37    HD2  HIS   4           2HD      HIS   4  -5.225   1.939   8.685
   38    HE1  HIS   4           1HE      HIS   4  -8.421   0.320   6.400
   39    H    GLU   5           H        GLU   5  -2.774   5.805   6.064
   40    HA   GLU   5           HA       GLU   5  -1.937   5.735   3.223
   41   1HB   GLU   5          2HB       GLU   5  -2.408   7.934   4.216
   42   2HB   GLU   5          3HB       GLU   5  -1.110   7.689   5.385
   43   1HG   GLU   5          2HG       GLU   5   0.535   7.532   3.534
   44   2HG   GLU   5          3HG       GLU   5  -0.770   7.569   2.345
   45    H    PHE   6           H        PHE   6  -0.054   4.920   2.541
   46    HA   PHE   6           HA       PHE   6   2.112   4.365   4.503
   47   1HB   PHE   6          2HB       PHE   6   1.254   2.616   2.168
   48   2HB   PHE   6          3HB       PHE   6   2.763   2.437   3.058
   49    HD1  PHE   6           1HD      PHE   6  -0.982   2.328   3.497
   50    HD2  PHE   6           2HD      PHE   6   2.855   1.121   5.091
   51    HE1  PHE   6           1HE      PHE   6  -2.078   0.681   4.977
   52    HE2  PHE   6           2HE      PHE   6   1.763  -0.514   6.481
   53    HZ   PHE   6           HZ       PHE   6  -0.743  -0.745   6.471
   54    H    SER   7           H        SER   7   4.064   5.073   3.851
   55    HA   SER   7           HA       SER   7   4.245   6.359   1.174
   56   1HB   SER   7          2HB       SER   7   5.068   7.729   3.006
   57   2HB   SER   7          3HB       SER   7   6.246   6.470   3.434
   58    HG   SER   7           HG       SER   7   6.099   7.470   0.770
   59    H    VAL   8           H        VAL   8   5.354   5.254  -0.373
   60    HA   VAL   8           HA       VAL   8   6.660   2.674   0.305
   61    HB   VAL   8           HB       VAL   8   4.510   3.020  -1.819
   62   1HG1  VAL   8          1HG1      VAL   8   5.975   0.541  -0.802
   63   2HG1  VAL   8          2HG1      VAL   8   4.730   0.591  -2.070
   64   3HG1  VAL   8          3HG1      VAL   8   6.308   1.351  -2.342
   65   1HG2  VAL   8          1HG2      VAL   8   3.224   1.362  -0.356
   66   2HG2  VAL   8          2HG2      VAL   8   4.442   1.622   0.894
   67   3HG2  VAL   8          3HG2      VAL   8   3.400   2.963   0.380
   68    H    ASP   9           H        ASP   9   8.600   2.827  -0.578
   69    HA   ASP   9           HA       ASP   9   9.353   4.986  -2.232
   70   1HB   ASP   9          2HB       ASP   9  10.668   3.936  -0.484
   71   2HB   ASP   9          3HB       ASP   9  10.777   2.440  -1.442
   72    H    MET  10           H        MET  10   7.620   4.348  -3.907
   73    HA   MET  10           HA       MET  10   8.334   2.255  -5.817
   74   1HB   MET  10          2HB       MET  10   6.185   4.403  -5.896
   75   2HB   MET  10          3HB       MET  10   6.325   3.024  -7.006
   76   1HG   MET  10          2HG       MET  10   6.039   1.456  -5.125
   77   2HG   MET  10          3HG       MET  10   5.847   2.815  -4.018
   78   1HE   MET  10          1HE       MET  10   2.420   4.280  -4.939
   79   2HE   MET  10          2HE       MET  10   3.840   4.382  -3.878
   80   3HE   MET  10          3HE       MET  10   3.969   4.829  -5.596
   81    H    THR  11           H        THR  11  10.067   2.609  -7.157
   82    HA   THR  11           HA       THR  11  10.885   5.317  -7.906
   83    HB   THR  11           HB       THR  11  12.639   3.879  -9.128
   84    HG1  THR  11           1HG      THR  11  12.630   1.684  -8.471
   85   1HG2  THR  11          1HG2      THR  11  13.806   3.261  -7.023
   86   2HG2  THR  11          2HG2      THR  11  13.080   4.873  -6.900
   87   3HG2  THR  11          3HG2      THR  11  12.302   3.487  -6.107
   88    H    CYS  12           HN       CYS  12  10.253   2.303  -9.687
   89    HA   CYS  12           HA       CYS  12   9.357   3.860 -12.062
   90   1HB   CYS  12          2HB       CYS  12   9.897   1.876 -13.316
   91   2HB   CYS  12          3HB       CYS  12  11.249   2.276 -12.261
   92    H    GLY  13           H        GLY  13   7.567   2.970 -13.321
   93   1HA   GLY  13          2HA       GLY  13   5.113   2.560 -12.082
   94   2HA   GLY  13          3HA       GLY  13   5.537   1.963 -13.695
   95    H    GLY  14           H        GLY  14   7.591   0.180 -12.987
   96   1HA   GLY  14          2HA       GLY  14   6.334  -2.214 -12.524
   97   2HA   GLY  14          3HA       GLY  14   8.056  -1.884 -12.217
   98    H    CYS  15           HN       CYS  15   7.659   0.045 -10.041
   99    HA   CYS  15           HA       CYS  15   7.332  -1.842  -7.859
  100   1HB   CYS  15          2HB       CYS  15   7.563   1.176  -7.939
  101   2HB   CYS  15          3HB       CYS  15   7.379   0.209  -6.472
  102    H    ALA  16           H        ALA  16   5.261   0.707  -9.333
  103    HA   ALA  16           HA       ALA  16   3.144   0.493  -7.384
  104   1HB   ALA  16          1HB       ALA  16   3.070   1.409 -10.291
  105   2HB   ALA  16          2HB       ALA  16   1.746   1.541  -9.133
  106   3HB   ALA  16          3HB       ALA  16   3.260   2.423  -8.841
  107    H    GLU  17           H        GLU  17   3.705  -1.042 -10.578
  108    HA   GLU  17           HA       GLU  17   1.445  -2.726 -10.664
  109   1HB   GLU  17          2HB       GLU  17   4.293  -3.222 -11.627
  110   2HB   GLU  17          3HB       GLU  17   2.895  -4.180 -12.108
  111   1HG   GLU  17          2HG       GLU  17   1.910  -2.368 -13.301
  112   2HG   GLU  17          3HG       GLU  17   2.985  -1.168 -12.574
  113    H    ALA  18           H        ALA  18   4.695  -3.359  -9.243
  114    HA   ALA  18           HA       ALA  18   4.141  -5.946  -8.319
  115   1HB   ALA  18          1HB       ALA  18   6.019  -3.887  -7.089
  116   2HB   ALA  18          2HB       ALA  18   6.079  -5.637  -6.821
  117   3HB   ALA  18          3HB       ALA  18   6.427  -4.973  -8.434
  118    H    VAL  19           H        VAL  19   3.872  -2.829  -6.526
  119    HA   VAL  19           HA       VAL  19   2.962  -3.891  -4.102
  120    HB   VAL  19           HB       VAL  19   2.504  -1.223  -5.514
  121   1HG1  VAL  19          1HG1      VAL  19   2.038  -0.483  -3.109
  122   2HG1  VAL  19          2HG1      VAL  19   0.775  -1.428  -3.913
  123   3HG1  VAL  19          3HG1      VAL  19   1.869  -2.236  -2.745
  124   1HG2  VAL  19          1HG2      VAL  19   4.329  -0.380  -4.310
  125   2HG2  VAL  19          2HG2      VAL  19   4.320  -1.701  -3.142
  126   3HG2  VAL  19          3HG2      VAL  19   4.932  -1.982  -4.766
  127    H    SER  20           H        SER  20   1.174  -2.748  -6.958
  128    HA   SER  20           HA       SER  20  -1.456  -3.128  -6.036
  129   1HB   SER  20          2HB       SER  20  -0.600  -2.088  -8.209
  130   2HB   SER  20          3HB       SER  20  -0.429  -3.705  -8.867
  131    HG   SER  20           HG       SER  20  -2.439  -2.796  -9.422
  132    H    ARG  21           H        ARG  21   0.616  -5.413  -7.845
  133    HA   ARG  21           HA       ARG  21  -1.049  -7.643  -7.799
  134   1HB   ARG  21          2HB       ARG  21   0.691  -8.453  -8.892
  135   2HB   ARG  21          3HB       ARG  21   1.710  -7.126  -8.379
  136   1HG   ARG  21          2HG       ARG  21   2.481  -8.361  -6.416
  137   2HG   ARG  21          3HG       ARG  21   1.354  -9.675  -6.745
  138   1HD   ARG  21          2HD       ARG  21   3.509 -10.366  -7.529
  139   2HD   ARG  21          3HD       ARG  21   2.487 -10.049  -8.951
  140    HE   ARG  21           HE       ARG  21   4.098  -7.796  -8.003
  141   1HH1  ARG  21          2HH2      ARG  21   4.250 -10.678 -10.018
  142   2HH1  ARG  21          1HH2      ARG  21   5.403 -10.038 -11.147
  143   1HH2  ARG  21          2HH1      ARG  21   5.605  -6.869  -9.544
  144   2HH2  ARG  21          1HH1      ARG  21   6.212  -7.838 -10.837
  145    H    VAL  22           H        VAL  22   0.990  -6.466  -5.138
  146    HA   VAL  22           HA       VAL  22   0.582  -8.791  -3.446
  147    HB   VAL  22           HB       VAL  22   2.153  -6.274  -3.551
  148   1HG1  VAL  22          1HG1      VAL  22   1.095  -7.125  -0.847
  149   2HG1  VAL  22          2HG1      VAL  22   2.550  -6.145  -1.114
  150   3HG1  VAL  22          3HG1      VAL  22   0.987  -5.527  -1.658
  151   1HG2  VAL  22          1HG2      VAL  22   3.033  -8.506  -3.839
  152   2HG2  VAL  22          2HG2      VAL  22   3.805  -7.578  -2.528
  153   3HG2  VAL  22          3HG2      VAL  22   2.625  -8.876  -2.140
  154    H    LEU  23           H        LEU  23  -0.651  -5.434  -3.516
  155    HA   LEU  23           HA       LEU  23  -2.182  -5.812  -1.142
  156   1HB   LEU  23          2HB       LEU  23  -1.728  -3.675  -3.097
  157   2HB   LEU  23          3HB       LEU  23  -3.361  -3.661  -2.518
  158    HG   LEU  23           HG       LEU  23  -0.915  -3.865  -0.692
  159   1HD1  LEU  23          1HD1      LEU  23  -1.182  -1.426  -0.419
  160   2HD1  LEU  23          2HD1      LEU  23  -0.875  -1.807  -2.115
  161   3HD1  LEU  23          3HD1      LEU  23  -2.533  -1.461  -1.580
  162   1HD2  LEU  23          1HD2      LEU  23  -3.257  -4.549   0.202
  163   2HD2  LEU  23          2HD2      LEU  23  -2.521  -3.174   1.034
  164   3HD2  LEU  23          3HD2      LEU  23  -3.765  -2.912  -0.218
  165    H    ASN  24           H        ASN  24  -2.953  -6.001  -4.636
  166    HA   ASN  24           HA       ASN  24  -5.705  -6.405  -4.516
  167   1HB   ASN  24          2HB       ASN  24  -4.416  -6.279  -6.633
  168   2HB   ASN  24          3HB       ASN  24  -3.668  -7.836  -6.282
  169   1HD2  ASN  24          1HD2      ASN  24  -6.996  -7.876  -5.228
  170   2HD2  ASN  24          2HD2      ASN  24  -7.614  -8.617  -6.689
  171    H    LYS  25           H        LYS  25  -3.033  -8.775  -3.984
  172    HA   LYS  25           HA       LYS  25  -4.631 -11.073  -3.800
  173   1HB   LYS  25          2HB       LYS  25  -1.849 -10.219  -3.221
  174   2HB   LYS  25          3HB       LYS  25  -2.395 -11.521  -2.202
  175   1HG   LYS  25          2HG       LYS  25  -3.000 -12.841  -4.207
  176   2HG   LYS  25          3HG       LYS  25  -2.766 -11.395  -5.223
  177   1HD   LYS  25          2HD       LYS  25  -0.344 -11.391  -4.706
  178   2HD   LYS  25          3HD       LYS  25  -0.555 -12.794  -3.650
  179   1HE   LYS  25          2HE       LYS  25   0.343 -13.456  -5.855
  180   2HE   LYS  25          3HE       LYS  25  -1.228 -14.205  -5.537
  181   1HZ   LYS  25          1HZ       LYS  25  -0.840 -11.787  -7.183
  182   2HZ   LYS  25          2HZ       LYS  25  -1.024 -13.313  -7.779
  183   3HZ   LYS  25          3HZ       LYS  25  -2.251 -12.599  -6.959
  184    H    LEU  26           H        LEU  26  -3.924  -8.692  -1.286
  185    HA   LEU  26           HA       LEU  26  -5.069 -10.079   0.943
  186   1HB   LEU  26          2HB       LEU  26  -3.829  -8.183   1.338
  187   2HB   LEU  26          3HB       LEU  26  -4.689  -7.186   0.189
  188    HG   LEU  26           HG       LEU  26  -5.068  -6.353   2.271
  189   1HD1  LEU  26          1HD1      LEU  26  -7.005  -6.343   0.671
  190   2HD1  LEU  26          2HD1      LEU  26  -7.717  -7.647   1.622
  191   3HD1  LEU  26          3HD1      LEU  26  -7.387  -6.122   2.403
  192   1HD2  LEU  26          1HD2      LEU  26  -6.137  -7.448   4.086
  193   2HD2  LEU  26          2HD2      LEU  26  -6.317  -8.969   3.155
  194   3HD2  LEU  26          3HD2      LEU  26  -4.699  -8.389   3.622
  195    H    GLY  27           H        GLY  27  -6.582  -8.069  -1.627
  196   1HA   GLY  27          2HA       GLY  27  -8.670  -8.832  -2.524
  197   2HA   GLY  27          3HA       GLY  27  -9.247  -9.238  -0.910
  198    H    GLY  28           H        GLY  28  -9.915  -7.580   0.594
  199   1HA   GLY  28          2HA       GLY  28 -11.534  -5.765  -0.964
  200   2HA   GLY  28          3HA       GLY  28 -11.620  -6.088   0.770
  201    H    VAL  29           H        VAL  29  -9.049  -4.798  -1.333
  202    HA   VAL  29           HA       VAL  29  -8.848  -2.354   0.420
  203    HB   VAL  29           HB       VAL  29  -6.538  -2.178  -0.562
  204   1HG1  VAL  29          1HG1      VAL  29  -7.490  -4.267   1.344
  205   2HG1  VAL  29          2HG1      VAL  29  -5.766  -4.248   0.929
  206   3HG1  VAL  29          3HG1      VAL  29  -6.543  -2.813   1.646
  207   1HG2  VAL  29          1HG2      VAL  29  -6.883  -3.843  -2.467
  208   2HG2  VAL  29          2HG2      VAL  29  -5.426  -4.047  -1.485
  209   3HG2  VAL  29          3HG2      VAL  29  -6.819  -5.128  -1.259
  210    H    LYS  30           H        LYS  30  -9.198  -0.380  -0.433
  211    HA   LYS  30           HA       LYS  30  -8.760  -0.125  -3.351
  212   1HB   LYS  30          2HB       LYS  30 -11.040   0.525  -2.973
  213   2HB   LYS  30          3HB       LYS  30 -10.577   1.573  -1.627
  214   1HG   LYS  30          2HG       LYS  30 -11.043   2.777  -3.803
  215   2HG   LYS  30          3HG       LYS  30  -9.519   3.148  -3.031
  216   1HD   LYS  30          2HD       LYS  30  -9.252   2.969  -5.463
  217   2HD   LYS  30          3HD       LYS  30  -8.231   1.851  -4.613
  218   1HE   LYS  30          2HE       LYS  30  -9.114   0.750  -6.539
  219   2HE   LYS  30          3HE       LYS  30  -9.817  -0.038  -5.133
  220   1HZ   LYS  30          1HZ       LYS  30 -11.807   1.253  -5.439
  221   2HZ   LYS  30          2HZ       LYS  30 -11.176   1.994  -6.771
  222   3HZ   LYS  30          3HZ       LYS  30 -11.468   0.375  -6.787
  223    H    TYR  31           H        TYR  31  -6.701  -0.079  -3.214
  224    HA   TYR  31           HA       TYR  31  -5.224   2.026  -1.770
  225   1HB   TYR  31          2HB       TYR  31  -3.302   1.030  -2.933
  226   2HB   TYR  31          3HB       TYR  31  -4.146  -0.042  -1.828
  227    HD1  TYR  31           HD1      TYR  31  -5.494  -1.946  -2.663
  228    HD2  TYR  31           HD2      TYR  31  -3.254   0.554  -5.317
  229    HE1  TYR  31           HE1      TYR  31  -5.566  -3.737  -4.402
  230    HE2  TYR  31           HE2      TYR  31  -3.293  -1.223  -7.049
  231    HH   TYR  31           HH       TYR  31  -3.736  -3.476  -7.433
  232    H    ASP  32           H        ASP  32  -5.273   4.008  -2.601
  233    HA   ASP  32           HA       ASP  32  -5.154   4.333  -5.560
  234   1HB   ASP  32          2HB       ASP  32  -6.630   5.922  -4.318
  235   2HB   ASP  32          3HB       ASP  32  -5.220   6.470  -3.392
  236    H    ILE  33           H        ILE  33  -3.232   5.556  -6.286
  237    HA   ILE  33           HA       ILE  33  -0.734   4.729  -4.834
  238    HB   ILE  33           HB       ILE  33  -1.798   3.929  -7.553
  239   1HG1  ILE  33          2HG1      ILE  33  -0.187   2.164  -5.668
  240   2HG1  ILE  33          3HG1      ILE  33  -1.896   2.480  -5.352
  241   1HG2  ILE  33          1HG2      ILE  33   0.484   3.125  -8.160
  242   2HG2  ILE  33          2HG2      ILE  33   0.342   4.870  -8.124
  243   3HG2  ILE  33          3HG2      ILE  33   1.135   4.020  -6.778
  244   1HD1  ILE  33          1HD1      ILE  33  -2.598   1.548  -7.439
  245   2HD1  ILE  33          2HD1      ILE  33  -0.931   1.430  -8.047
  246   3HD1  ILE  33          3HD1      ILE  33  -1.446   0.404  -6.710
  247    H    ASP  34           H        ASP  34   0.649   6.431  -4.794
  248    HA   ASP  34           HA       ASP  34   0.685   8.297  -7.124
  249   1HB   ASP  34          2HB       ASP  34  -0.168   9.414  -5.079
  250   2HB   ASP  34          3HB       ASP  34   1.373   9.048  -4.281
  251    H    LEU  35           H        LEU  35   2.401   7.800  -8.267
  252    HA   LEU  35           HA       LEU  35   4.694   6.342  -7.222
  253   1HB   LEU  35          2HB       LEU  35   3.655   7.219  -9.876
  254   2HB   LEU  35          3HB       LEU  35   5.411   7.104  -9.704
  255    HG   LEU  35           HG       LEU  35   3.631   4.841  -8.740
  256   1HD1  LEU  35          1HD1      LEU  35   4.438   5.206 -11.657
  257   2HD1  LEU  35          2HD1      LEU  35   3.625   3.794 -10.949
  258   3HD1  LEU  35          3HD1      LEU  35   2.785   5.350 -11.010
  259   1HD2  LEU  35          1HD2      LEU  35   6.345   4.812 -10.153
  260   2HD2  LEU  35          2HD2      LEU  35   6.137   4.828  -8.397
  261   3HD2  LEU  35          3HD2      LEU  35   5.552   3.444  -9.358
  262    HA   PRO  36           HA       PRO  36   6.949  10.669  -8.285
  263   1HB   PRO  36          2HB       PRO  36   4.335  12.140  -7.729
  264   2HB   PRO  36          3HB       PRO  36   5.796  12.783  -8.527
  265   1HG   PRO  36          2HG       PRO  36   3.752  11.837 -10.031
  266   2HG   PRO  36          3HG       PRO  36   5.414  11.298 -10.428
  267   1HD   PRO  36          2HD       PRO  36   3.268   9.814  -8.917
  268   2HD   PRO  36          3HD       PRO  36   4.447   9.231 -10.131
  269    H    ASN  37           H        ASN  37   4.183  10.534  -6.024
  270    HA   ASN  37           HA       ASN  37   5.798  11.804  -3.918
  271   1HB   ASN  37          2HB       ASN  37   3.156  12.024  -4.573
  272   2HB   ASN  37          3HB       ASN  37   3.043  10.842  -3.266
  273   1HD2  ASN  37          1HD2      ASN  37   4.526  13.922  -4.269
  274   2HD2  ASN  37          2HD2      ASN  37   4.473  14.700  -2.704
  275    H    LYS  38           H        LYS  38   5.545   8.639  -4.928
  276    HA   LYS  38           HA       LYS  38   5.951   6.618  -3.950
  277   1HB   LYS  38          2HB       LYS  38   7.622   8.480  -2.186
  278   2HB   LYS  38          3HB       LYS  38   7.774   6.725  -2.206
  279   1HG   LYS  38          2HG       LYS  38   8.201   6.793  -4.659
  280   2HG   LYS  38          3HG       LYS  38   8.147   8.561  -4.629
  281   1HD   LYS  38          2HD       LYS  38  10.087   8.687  -3.183
  282   2HD   LYS  38          3HD       LYS  38  10.053   6.942  -2.891
  283   1HE   LYS  38          2HE       LYS  38  10.385   6.620  -5.419
  284   2HE   LYS  38          3HE       LYS  38  10.764   8.350  -5.497
  285   1HZ   LYS  38          1HZ       LYS  38  12.548   7.866  -3.872
  286   2HZ   LYS  38          2HZ       LYS  38  12.125   6.281  -3.888
  287   3HZ   LYS  38          3HZ       LYS  38  12.731   6.964  -5.246
  288    H    LYS  39           H        LYS  39   3.529   7.059  -3.467
  289    HA   LYS  39           HA       LYS  39   3.045   6.394  -0.624
  290   1HB   LYS  39          2HB       LYS  39   2.146   8.853  -2.134
  291   2HB   LYS  39          3HB       LYS  39   1.003   8.089  -1.032
  292   1HG   LYS  39          2HG       LYS  39   2.703   8.180   0.777
  293   2HG   LYS  39          3HG       LYS  39   3.778   9.110  -0.290
  294   1HD   LYS  39          2HD       LYS  39   2.084  10.892  -0.503
  295   2HD   LYS  39          3HD       LYS  39   0.889   9.877   0.317
  296   1HE   LYS  39          2HE       LYS  39   2.505   9.872   2.337
  297   2HE   LYS  39          3HE       LYS  39   3.301  11.261   1.574
  298   1HZ   LYS  39          1HZ       LYS  39   1.388  12.534   2.051
  299   2HZ   LYS  39          2HZ       LYS  39   0.390  11.200   1.923
  300   3HZ   LYS  39          3HZ       LYS  39   1.222  11.333   3.235
  301    H    VAL  40           H        VAL  40   1.168   5.319  -0.146
  302    HA   VAL  40           HA       VAL  40  -0.652   4.639  -2.341
  303    HB   VAL  40           HB       VAL  40   0.349   2.657  -0.246
  304   1HG1  VAL  40          1HG1      VAL  40  -1.921   2.382  -1.292
  305   2HG1  VAL  40          2HG1      VAL  40  -1.133   2.260  -2.873
  306   3HG1  VAL  40          3HG1      VAL  40  -0.810   1.030  -1.625
  307   1HG2  VAL  40          1HG2      VAL  40   1.222   2.910  -3.159
  308   2HG2  VAL  40          2HG2      VAL  40   2.239   3.159  -1.722
  309   3HG2  VAL  40          3HG2      VAL  40   1.594   1.553  -2.073
  310    H    CYS  41           H        CYS  41  -2.724   5.066  -1.626
  311    HA   CYS  41           HA       CYS  41  -3.200   5.541   1.328
  312   1HB   CYS  41          2HB       CYS  41  -4.329   6.902  -1.145
  313   2HB   CYS  41          3HB       CYS  41  -5.127   6.964   0.437
  314    HG   CYS  41           HG       CYS  41  -2.013   7.823  -0.174
  315    H    ILE  42           H        ILE  42  -4.138   3.740   2.097
  316    HA   ILE  42           HA       ILE  42  -5.865   2.305   0.195
  317    HB   ILE  42           HB       ILE  42  -4.668   1.058   2.637
  318   1HG1  ILE  42          2HG1      ILE  42  -3.264   1.208  -0.029
  319   2HG1  ILE  42          3HG1      ILE  42  -2.774   2.079   1.443
  320   1HG2  ILE  42          1HG2      ILE  42  -5.600   0.081  -0.115
  321   2HG2  ILE  42          2HG2      ILE  42  -4.943  -0.988   1.112
  322   3HG2  ILE  42          3HG2      ILE  42  -6.463  -0.133   1.406
  323   1HD1  ILE  42          1HD1      ILE  42  -2.286   0.023   2.626
  324   2HD1  ILE  42          2HD1      ILE  42  -2.757  -0.930   1.209
  325   3HD1  ILE  42          3HD1      ILE  42  -1.383   0.165   1.136
  326    H    GLU  43           H        GLU  43  -7.946   2.845   0.483
  327    HA   GLU  43           HA       GLU  43  -9.068   2.938   3.233
  328   1HB   GLU  43          2HB       GLU  43  -9.869   4.588   1.622
  329   2HB   GLU  43          3HB       GLU  43 -10.515   3.297   0.598
  330   1HG   GLU  43          2HG       GLU  43 -12.278   2.871   2.011
  331   2HG   GLU  43          3HG       GLU  43 -11.320   3.100   3.470
  332    H    SER  44           H        SER  44  -9.969   1.133   4.187
  333    HA   SER  44           HA       SER  44 -10.794  -1.120   2.531
  334   1HB   SER  44          2HB       SER  44  -8.282  -1.417   2.638
  335   2HB   SER  44          3HB       SER  44  -8.417  -1.470   4.408
  336    HG   SER  44           HG       SER  44  -9.671  -3.243   2.554
  337    H    GLU  45           H        GLU  45 -11.987  -2.635   3.694
  338    HA   GLU  45           HA       GLU  45 -12.801  -1.953   6.440
  339   1HB   GLU  45          2HB       GLU  45 -13.602  -4.265   4.621
  340   2HB   GLU  45          3HB       GLU  45 -14.326  -3.838   6.179
  341   1HG   GLU  45          2HG       GLU  45 -14.945  -1.592   5.249
  342   2HG   GLU  45          3HG       GLU  45 -14.334  -2.097   3.663
  343    H    HIS  46           H        HIS  46 -10.267  -3.764   4.880
  344    HA   HIS  46           HA       HIS  46  -9.943  -5.715   7.054
  345   1HB   HIS  46          2HB       HIS  46  -8.103  -4.862   4.789
  346   2HB   HIS  46          3HB       HIS  46  -7.754  -6.116   5.969
  347    HD1  HIS  46           1HD      HIS  46  -8.142  -8.431   5.015
  348    HD2  HIS  46           2HD      HIS  46 -10.508  -5.441   3.253
  349    HE1  HIS  46           1HE      HIS  46  -9.221  -9.470   2.970
  350    H    SER  47           H        SER  47  -8.247  -5.551   8.643
  351    HA   SER  47           HA       SER  47  -8.156  -2.923   9.761
  352   1HB   SER  47          2HB       SER  47  -8.209  -5.046  11.101
  353   2HB   SER  47          3HB       SER  47  -6.553  -5.386  10.572
  354    HG   SER  47           HG       SER  47  -7.503  -3.331  12.257
  355    H    MET  48           H        MET  48  -6.256  -1.712  10.382
  356    HA   MET  48           HA       MET  48  -4.402  -1.260   8.320
  357   1HB   MET  48          2HB       MET  48  -3.435   0.356   9.561
  358   2HB   MET  48          3HB       MET  48  -5.094   0.298  10.201
  359   1HG   MET  48          2HG       MET  48  -4.175  -1.272  11.970
  360   2HG   MET  48          3HG       MET  48  -2.555  -0.733  11.460
  361   1HE   MET  48          1HE       MET  48  -3.389  -0.509  14.442
  362   2HE   MET  48          2HE       MET  48  -1.853   0.126  13.799
  363   3HE   MET  48          3HE       MET  48  -2.878   1.151  14.831
  364    H    ASP  49           H        ASP  49  -4.344  -3.423  11.090
  365    HA   ASP  49           HA       ASP  49  -1.692  -4.428  11.096
  366   1HB   ASP  49          2HB       ASP  49  -2.938  -5.392  12.782
  367   2HB   ASP  49          3HB       ASP  49  -4.444  -5.357  11.865
  368    H    THR  50           H        THR  50  -4.526  -5.725   9.363
  369    HA   THR  50           HA       THR  50  -3.108  -7.657   8.004
  370    HB   THR  50           HB       THR  50  -5.691  -6.521   6.935
  371    HG1  THR  50           1HG      THR  50  -5.248  -7.536   9.550
  372   1HG2  THR  50          1HG2      THR  50  -6.328  -8.891   6.858
  373   2HG2  THR  50          2HG2      THR  50  -4.756  -8.679   6.055
  374   3HG2  THR  50          3HG2      THR  50  -4.834  -9.350   7.699
  375    H    LEU  51           H        LEU  51  -4.138  -4.413   7.017
  376    HA   LEU  51           HA       LEU  51  -3.103  -4.262   4.364
  377   1HB   LEU  51          2HB       LEU  51  -3.426  -2.312   6.657
  378   2HB   LEU  51          3HB       LEU  51  -2.682  -1.810   5.164
  379    HG   LEU  51           HG       LEU  51  -5.303  -1.567   5.736
  380   1HD1  LEU  51          1HD1      LEU  51  -4.033  -0.527   3.945
  381   2HD1  LEU  51          2HD1      LEU  51  -4.053  -2.031   3.003
  382   3HD1  LEU  51          3HD1      LEU  51  -5.579  -1.154   3.344
  383   1HD2  LEU  51          1HD2      LEU  51  -5.275  -4.070   3.979
  384   2HD2  LEU  51          2HD2      LEU  51  -5.875  -3.993   5.651
  385   3HD2  LEU  51          3HD2      LEU  51  -6.657  -3.058   4.384
  386    H    LEU  52           H        LEU  52  -1.489  -3.288   7.426
  387    HA   LEU  52           HA       LEU  52   1.047  -2.690   6.497
  388   1HB   LEU  52          2HB       LEU  52  -0.104  -3.571   9.022
  389   2HB   LEU  52          3HB       LEU  52   1.581  -4.003   8.817
  390    HG   LEU  52           HG       LEU  52   0.646  -1.181   8.210
  391   1HD1  LEU  52          1HD1      LEU  52   0.994  -2.290  10.970
  392   2HD1  LEU  52          2HD1      LEU  52   0.954  -0.554  10.543
  393   3HD1  LEU  52          3HD1      LEU  52  -0.453  -1.571  10.208
  394   1HD2  LEU  52          1HD2      LEU  52   3.174  -2.331   9.506
  395   2HD2  LEU  52          2HD2      LEU  52   3.032  -1.851   7.800
  396   3HD2  LEU  52          3HD2      LEU  52   2.909  -0.631   9.084
  397    H    ALA  53           H        ALA  53  -0.069  -5.849   7.708
  398    HA   ALA  53           HA       ALA  53   2.271  -7.343   7.252
  399   1HB   ALA  53          1HB       ALA  53  -0.636  -8.266   7.330
  400   2HB   ALA  53          2HB       ALA  53   0.795  -9.298   7.541
  401   3HB   ALA  53          3HB       ALA  53   0.425  -8.037   8.735
  402    H    THR  54           H        THR  54  -0.605  -6.810   5.140
  403    HA   THR  54           HA       THR  54   0.271  -8.463   2.998
  404    HB   THR  54           HB       THR  54  -1.501  -5.986   3.077
  405    HG1  THR  54           1HG      THR  54  -2.327  -7.669   4.231
  406   1HG2  THR  54          1HG2      THR  54  -1.182  -8.044   0.874
  407   2HG2  THR  54          2HG2      THR  54  -2.328  -6.681   0.945
  408   3HG2  THR  54          3HG2      THR  54  -0.608  -6.357   0.803
  409    H    LEU  55           H        LEU  55   0.737  -4.961   3.703
  410    HA   LEU  55           HA       LEU  55   1.995  -4.554   1.171
  411   1HB   LEU  55          2HB       LEU  55   1.049  -2.978   3.424
  412   2HB   LEU  55          3HB       LEU  55   2.629  -2.386   2.900
  413    HG   LEU  55           HG       LEU  55   0.047  -2.504   1.351
  414   1HD1  LEU  55          1HD1      LEU  55   1.925  -0.355   2.454
  415   2HD1  LEU  55          2HD1      LEU  55   0.693   0.013   1.272
  416   3HD1  LEU  55          3HD1      LEU  55   0.224  -0.655   2.861
  417   1HD2  LEU  55          1HD2      LEU  55   1.716  -3.052  -0.305
  418   2HD2  LEU  55          2HD2      LEU  55   1.347  -1.337  -0.455
  419   3HD2  LEU  55          3HD2      LEU  55   2.846  -1.839   0.364
  420    H    LYS  56           H        LYS  56   3.241  -5.486   4.383
  421    HA   LYS  56           HA       LYS  56   5.995  -5.049   4.035
  422   1HB   LYS  56          2HB       LYS  56   4.171  -6.841   5.552
  423   2HB   LYS  56          3HB       LYS  56   5.673  -7.605   5.083
  424   1HG   LYS  56          2HG       LYS  56   5.981  -6.842   7.114
  425   2HG   LYS  56          3HG       LYS  56   6.956  -5.723   6.162
  426   1HD   LYS  56          2HD       LYS  56   4.201  -5.172   7.438
  427   2HD   LYS  56          3HD       LYS  56   5.738  -4.901   8.227
  428   1HE   LYS  56          2HE       LYS  56   5.129  -2.792   7.542
  429   2HE   LYS  56          3HE       LYS  56   6.396  -3.264   6.411
  430   1HZ   LYS  56          1HZ       LYS  56   4.312  -2.196   5.493
  431   2HZ   LYS  56          2HZ       LYS  56   4.819  -3.571   4.757
  432   3HZ   LYS  56          3HZ       LYS  56   3.542  -3.643   5.779
  433    H    LYS  57           H        LYS  57   3.838  -7.420   2.388
  434    HA   LYS  57           HA       LYS  57   6.029  -9.008   1.422
  435   1HB   LYS  57          2HB       LYS  57   3.156  -8.841   0.450
  436   2HB   LYS  57          3HB       LYS  57   4.354 -10.038  -0.048
  437   1HG   LYS  57          2HG       LYS  57   4.659 -10.780   2.274
  438   2HG   LYS  57          3HG       LYS  57   3.439  -9.648   2.848
  439   1HD   LYS  57          2HD       LYS  57   2.802 -11.716   0.700
  440   2HD   LYS  57          3HD       LYS  57   2.804 -12.146   2.422
  441   1HE   LYS  57          2HE       LYS  57   1.173 -10.437   2.951
  442   2HE   LYS  57          3HE       LYS  57   1.156  -9.848   1.269
  443   1HZ   LYS  57          1HZ       LYS  57   0.231 -11.971   0.627
  444   2HZ   LYS  57          2HZ       LYS  57   0.254 -12.500   2.189
  445   3HZ   LYS  57          3HZ       LYS  57  -0.713 -11.243   1.758
  446    H    THR  58           H        THR  58   5.147  -5.828   0.471
  447    HA   THR  58           HA       THR  58   6.070  -5.969  -2.278
  448    HB   THR  58           HB       THR  58   6.640  -3.621  -1.989
  449    HG1  THR  58           1HG      THR  58   5.828  -3.787   0.707
  450   1HG2  THR  58          1HG2      THR  58   4.413  -2.760  -1.252
  451   2HG2  THR  58          2HG2      THR  58   4.331  -4.090  -2.440
  452   3HG2  THR  58          3HG2      THR  58   3.976  -4.387  -0.733
  453    H    GLY  59           H        GLY  59   7.550  -5.851   0.918
  454   1HA   GLY  59          2HA       GLY  59   9.598  -5.979   1.700
  455   2HA   GLY  59          3HA       GLY  59  10.066  -6.945   0.277
  456    H    LYS  60           H        LYS  60   8.876  -3.577   0.275
  457    HA   LYS  60           HA       LYS  60  11.558  -2.587  -0.645
  458   1HB   LYS  60          2HB       LYS  60   8.820  -1.309  -0.889
  459   2HB   LYS  60          3HB       LYS  60  10.347  -0.720  -1.567
  460   1HG   LYS  60          2HG       LYS  60  10.500  -2.557  -3.129
  461   2HG   LYS  60          3HG       LYS  60   9.119  -3.369  -2.414
  462   1HD   LYS  60          2HD       LYS  60   8.479  -2.192  -4.511
  463   2HD   LYS  60          3HD       LYS  60   7.572  -1.679  -3.091
  464   1HE   LYS  60          2HE       LYS  60   8.096   0.282  -4.368
  465   2HE   LYS  60          3HE       LYS  60   8.985   0.361  -2.873
  466   1HZ   LYS  60          1HZ       LYS  60  10.006  -0.229  -5.574
  467   2HZ   LYS  60          2HZ       LYS  60  10.419   0.974  -4.540
  468   3HZ   LYS  60          3HZ       LYS  60  10.913  -0.560  -4.212
  469    H    THR  61           H        THR  61  11.699  -0.096  -0.011
  470    HA   THR  61           HA       THR  61  11.302   0.418   2.750
  471    HB   THR  61           HB       THR  61  11.475   2.838   1.273
  472    HG1  THR  61           1HG      THR  61  12.819   2.397  -0.434
  473   1HG2  THR  61          1HG2      THR  61  13.821   2.830   1.975
  474   2HG2  THR  61          2HG2      THR  61  12.756   2.303   3.292
  475   3HG2  THR  61          3HG2      THR  61  13.708   1.104   2.381
  476    H    VAL  62           H        VAL  62   9.157  -0.337   3.042
  477    HA   VAL  62           HA       VAL  62   7.087   1.690   2.323
  478    HB   VAL  62           HB       VAL  62   6.290  -0.318   1.489
  479   1HG1  VAL  62          1HG1      VAL  62   6.009  -2.400   2.807
  480   2HG1  VAL  62          2HG1      VAL  62   7.697  -2.014   2.484
  481   3HG1  VAL  62          3HG1      VAL  62   7.014  -1.715   4.098
  482   1HG2  VAL  62          1HG2      VAL  62   4.733   1.041   3.011
  483   2HG2  VAL  62          2HG2      VAL  62   4.264  -0.639   2.681
  484   3HG2  VAL  62          3HG2      VAL  62   4.993  -0.206   4.239
  485    H    SER  63           H        SER  63   6.547   3.081   3.892
  486    HA   SER  63           HA       SER  63   6.803   2.252   6.751
  487   1HB   SER  63          2HB       SER  63   7.183   4.727   7.160
  488   2HB   SER  63          3HB       SER  63   8.516   3.854   6.375
  489    HG   SER  63           HG       SER  63   8.114   5.792   5.280
  490    H    TYR  64           H        TYR  64   5.087   2.902   8.082
  491    HA   TYR  64           HA       TYR  64   2.561   3.383   6.618
  492   1HB   TYR  64          2HB       TYR  64   2.711   1.339   7.920
  493   2HB   TYR  64          3HB       TYR  64   3.171   2.247   9.362
  494    HD1  TYR  64           HD1      TYR  64   0.415   2.768   6.812
  495    HD2  TYR  64           HD2      TYR  64   1.432   2.040  10.942
  496    HE1  TYR  64           HE1      TYR  64  -1.870   3.330   7.492
  497    HE2  TYR  64           HE2      TYR  64  -0.945   2.311  11.562
  498    HH   TYR  64           HH       TYR  64  -3.038   2.904  10.840
  499    H    LEU  65           H        LEU  65   1.263   5.095   7.068
  500    HA   LEU  65           HA       LEU  65   2.165   7.146   8.982
  501   1HB   LEU  65          2HB       LEU  65   0.858   7.525   6.300
  502   2HB   LEU  65          3HB       LEU  65   1.051   8.781   7.523
  503    HG   LEU  65           HG       LEU  65   3.611   7.905   7.504
  504   1HD1  LEU  65          1HD1      LEU  65   3.182   6.182   5.821
  505   2HD1  LEU  65          2HD1      LEU  65   2.550   7.405   4.696
  506   3HD1  LEU  65          3HD1      LEU  65   4.272   7.420   5.187
  507   1HD2  LEU  65          1HD2      LEU  65   2.884  10.201   7.171
  508   2HD2  LEU  65          2HD2      LEU  65   4.123   9.740   5.983
  509   3HD2  LEU  65          3HD2      LEU  65   2.414   9.827   5.496
  510    H    GLY  66           H        GLY  66  -0.185   8.638   9.075
  511   1HA   GLY  66          2HA       GLY  66  -1.565   7.373  11.110
  512   2HA   GLY  66          3HA       GLY  66  -2.135   8.771  10.195
  513    H    LEU  67           H        LEU  67  -3.937   7.294  11.219
  514    HA   LEU  67           HA       LEU  67  -5.183   5.498   9.204
  515   1HB   LEU  67          2HB       LEU  67  -4.848   4.322  11.296
  516   2HB   LEU  67          3HB       LEU  67  -5.371   5.724  12.229
  517    HG   LEU  67           HG       LEU  67  -7.700   5.438  11.356
  518   1HD1  LEU  67          1HD1      LEU  67  -7.174   4.163   9.271
  519   2HD1  LEU  67          2HD1      LEU  67  -6.638   2.797  10.279
  520   3HD1  LEU  67          3HD1      LEU  67  -8.332   3.318  10.301
  521   1HD2  LEU  67          1HD2      LEU  67  -7.008   4.543  13.540
  522   2HD2  LEU  67          2HD2      LEU  67  -8.198   3.484  12.765
  523   3HD2  LEU  67          3HD2      LEU  67  -6.480   3.032  12.768
  524    H    GLU  68           H        GLU  68  -6.737   6.636   8.115
  525    HA   GLU  68           HA       GLU  68  -8.396   8.647   9.549
  526   1HB   GLU  68          2HB       GLU  68  -7.398   8.986   6.686
  527   2HB   GLU  68          3HB       GLU  68  -8.457  10.057   7.604
  528   1HG   GLU  68          2HG       GLU  68  -6.377  11.131   7.704
  529   2HG   GLU  68          3HG       GLU  68  -6.481  10.311   9.269
  Start of MODEL    6
    1   1H    MET   1           H1       MET   1 -12.304   4.869   3.828
    2   2H    MET   1           H2       MET   1 -13.667   3.951   3.681
    3   3H    MET   1           H3       MET   1 -13.333   5.125   2.568
    4    HA   MET   1           HA       MET   1 -14.071   6.764   3.741
    5   1HB   MET   1          2HB       MET   1 -15.960   5.274   3.727
    6   2HB   MET   1          3HB       MET   1 -15.507   4.540   5.263
    7   1HG   MET   1          2HG       MET   1 -16.079   7.508   4.920
    8   2HG   MET   1          3HG       MET   1 -17.311   6.312   5.335
    9   1HE   MET   1          1HE       MET   1 -16.816   8.383   8.635
   10   2HE   MET   1          2HE       MET   1 -16.626   9.007   6.980
   11   3HE   MET   1          3HE       MET   1 -17.971   7.901   7.369
   12    HA   PRO   2           HA       PRO   2 -11.253   6.369   7.517
   13   1HB   PRO   2          2HB       PRO   2 -10.311   3.895   8.104
   14   2HB   PRO   2          3HB       PRO   2 -11.725   4.572   8.983
   15   1HG   PRO   2          2HG       PRO   2 -11.682   2.624   6.659
   16   2HG   PRO   2          3HG       PRO   2 -12.657   2.519   8.150
   17   1HD   PRO   2          2HD       PRO   2 -13.614   3.473   5.787
   18   2HD   PRO   2          3HD       PRO   2 -14.195   4.099   7.353
   19    H    LYS   3           H        LYS   3  -8.896   5.884   7.024
   20    HA   LYS   3           HA       LYS   3  -8.276   4.068   4.879
   21   1HB   LYS   3          2HB       LYS   3  -7.193   5.633   3.350
   22   2HB   LYS   3          3HB       LYS   3  -8.912   6.012   3.476
   23   1HG   LYS   3          2HG       LYS   3  -8.403   7.805   5.118
   24   2HG   LYS   3          3HG       LYS   3  -6.678   7.423   4.960
   25   1HD   LYS   3          2HD       LYS   3  -8.398   8.359   2.658
   26   2HD   LYS   3          3HD       LYS   3  -7.465   9.448   3.693
   27   1HE   LYS   3          2HE       LYS   3  -6.255   7.173   2.059
   28   2HE   LYS   3          3HE       LYS   3  -6.318   8.869   1.561
   29   1HZ   LYS   3          1HZ       LYS   3  -4.795   7.835   3.908
   30   2HZ   LYS   3          2HZ       LYS   3  -4.200   8.456   2.487
   31   3HZ   LYS   3          3HZ       LYS   3  -5.015   9.365   3.628
   32    H    HIS   4           H        HIS   4  -5.827   4.052   4.506
   33    HA   HIS   4           HA       HIS   4  -4.260   5.273   6.713
   34   1HB   HIS   4          2HB       HIS   4  -3.658   2.437   5.835
   35   2HB   HIS   4          3HB       HIS   4  -3.081   3.320   7.232
   36    HD1  HIS   4           1HD      HIS   4  -6.218   4.007   8.228
   37    HD2  HIS   4           2HD      HIS   4  -4.560   0.337   7.047
   38    HE1  HIS   4           1HE      HIS   4  -7.705   2.178   9.217
   39    H    GLU   5           H        GLU   5  -2.901   6.625   5.522
   40    HA   GLU   5           HA       GLU   5  -1.936   5.789   2.910
   41   1HB   GLU   5          2HB       GLU   5  -2.032   8.225   3.778
   42   2HB   GLU   5          3HB       GLU   5  -0.542   7.828   4.636
   43   1HG   GLU   5          2HG       GLU   5   0.272   6.928   2.273
   44   2HG   GLU   5          3HG       GLU   5  -1.055   7.894   1.646
   45    H    PHE   6           H        PHE   6  -0.157   4.651   2.383
   46    HA   PHE   6           HA       PHE   6   1.912   4.148   4.458
   47   1HB   PHE   6          2HB       PHE   6   1.074   2.367   2.155
   48   2HB   PHE   6          3HB       PHE   6   2.608   2.204   3.005
   49    HD1  PHE   6           1HD      PHE   6   2.745   0.685   4.844
   50    HD2  PHE   6           2HD      PHE   6  -1.112   2.365   3.804
   51    HE1  PHE   6           1HE      PHE   6   1.647  -0.975   6.189
   52    HE2  PHE   6           2HE      PHE   6  -2.179   0.797   5.363
   53    HZ   PHE   6           HZ       PHE   6  -0.837  -0.927   6.529
   54    H    SER   7           H        SER   7   3.850   4.995   3.920
   55    HA   SER   7           HA       SER   7   4.185   6.302   1.244
   56   1HB   SER   7          2HB       SER   7   4.565   7.785   3.130
   57   2HB   SER   7          3HB       SER   7   5.785   6.659   3.800
   58    HG   SER   7           HG       SER   7   6.762   8.311   2.558
   59    H    VAL   8           H        VAL   8   5.880   5.564  -0.074
   60    HA   VAL   8           HA       VAL   8   7.055   2.931   0.651
   61    HB   VAL   8           HB       VAL   8   5.366   3.473  -1.828
   62   1HG1  VAL   8          1HG1      VAL   8   6.572   0.943  -0.628
   63   2HG1  VAL   8          2HG1      VAL   8   5.241   0.892  -1.798
   64   3HG1  VAL   8          3HG1      VAL   8   6.774   1.573  -2.271
   65   1HG2  VAL   8          1HG2      VAL   8   4.551   2.257   0.823
   66   2HG2  VAL   8          2HG2      VAL   8   3.788   3.597  -0.061
   67   3HG2  VAL   8          3HG2      VAL   8   3.661   1.952  -0.675
   68    H    ASP   9           H        ASP   9   8.382   2.230  -1.333
   69    HA   ASP   9           HA       ASP   9   9.500   4.531  -2.885
   70   1HB   ASP   9          2HB       ASP   9  11.449   3.487  -2.045
   71   2HB   ASP   9          3HB       ASP   9  10.777   1.860  -2.272
   72    H    MET  10           H        MET  10   8.129   4.673  -4.519
   73    HA   MET  10           HA       MET  10   7.890   2.325  -6.268
   74   1HB   MET  10          2HB       MET  10   5.676   4.372  -5.876
   75   2HB   MET  10          3HB       MET  10   5.670   3.015  -7.028
   76   1HG   MET  10          2HG       MET  10   5.830   1.427  -5.104
   77   2HG   MET  10          3HG       MET  10   5.638   2.802  -4.010
   78   1HE   MET  10          1HE       MET  10   1.994   3.983  -4.846
   79   2HE   MET  10          2HE       MET  10   3.509   4.373  -4.001
   80   3HE   MET  10          3HE       MET  10   3.406   4.508  -5.778
   81    H    THR  11           H        THR  11  10.045   3.941  -6.347
   82    HA   THR  11           HA       THR  11   9.544   6.343  -7.804
   83    HB   THR  11           HB       THR  11  12.147   4.831  -7.392
   84    HG1  THR  11           1HG      THR  11  11.290   5.255  -5.452
   85   1HG2  THR  11          1HG2      THR  11  13.129   7.146  -7.450
   86   2HG2  THR  11          2HG2      THR  11  12.533   6.610  -9.023
   87   3HG2  THR  11          3HG2      THR  11  11.576   7.757  -8.055
   88    H    CYS  12           HN       CYS  12   9.322   3.186  -9.060
   89    HA   CYS  12           HA       CYS  12   9.093   4.403 -11.671
   90   1HB   CYS  12          2HB       CYS  12  10.265   2.468 -12.779
   91   2HB   CYS  12          3HB       CYS  12  11.294   3.682 -12.021
   92    H    GLY  13           H        GLY  13   7.714   3.357 -12.996
   93   1HA   GLY  13          2HA       GLY  13   5.284   2.754 -12.186
   94   2HA   GLY  13          3HA       GLY  13   5.952   2.018 -13.635
   95    H    GLY  14           H        GLY  14   7.633   0.135 -12.878
   96   1HA   GLY  14          2HA       GLY  14   5.902  -1.971 -12.458
   97   2HA   GLY  14          3HA       GLY  14   7.675  -2.081 -12.307
   98    H    CYS  15           HN       CYS  15   7.618  -0.109  -9.946
   99    HA   CYS  15           HA       CYS  15   7.277  -2.091  -7.863
  100   1HB   CYS  15          2HB       CYS  15   7.561   0.910  -7.820
  101   2HB   CYS  15          3HB       CYS  15   7.577  -0.130  -6.375
  102    H    ALA  16           H        ALA  16   5.218   0.503  -9.244
  103    HA   ALA  16           HA       ALA  16   3.186   0.326  -7.188
  104   1HB   ALA  16          1HB       ALA  16   3.349   2.288  -8.617
  105   2HB   ALA  16          2HB       ALA  16   2.971   1.310 -10.061
  106   3HB   ALA  16          3HB       ALA  16   1.767   1.497  -8.781
  107    H    GLU  17           H        GLU  17   3.711  -1.221 -10.396
  108    HA   GLU  17           HA       GLU  17   1.373  -2.811 -10.359
  109   1HB   GLU  17          2HB       GLU  17   4.081  -3.588 -11.536
  110   2HB   GLU  17          3HB       GLU  17   2.491  -4.235 -11.960
  111   1HG   GLU  17          2HG       GLU  17   3.436  -1.369 -12.439
  112   2HG   GLU  17          3HG       GLU  17   3.170  -2.626 -13.646
  113    H    ALA  18           H        ALA  18   4.640  -3.575  -9.053
  114    HA   ALA  18           HA       ALA  18   3.998  -6.141  -8.026
  115   1HB   ALA  18          1HB       ALA  18   5.918  -4.073  -6.870
  116   2HB   ALA  18          2HB       ALA  18   5.920  -5.812  -6.528
  117   3HB   ALA  18          3HB       ALA  18   6.302  -5.229  -8.165
  118    H    VAL  19           H        VAL  19   3.809  -2.911  -6.370
  119    HA   VAL  19           HA       VAL  19   2.837  -3.823  -3.909
  120    HB   VAL  19           HB       VAL  19   2.501  -1.240  -5.490
  121   1HG1  VAL  19          1HG1      VAL  19   1.656  -2.007  -2.703
  122   2HG1  VAL  19          2HG1      VAL  19   1.899  -0.308  -3.219
  123   3HG1  VAL  19          3HG1      VAL  19   0.649  -1.293  -3.999
  124   1HG2  VAL  19          1HG2      VAL  19   4.286  -0.396  -4.227
  125   2HG2  VAL  19          2HG2      VAL  19   4.098  -1.594  -2.956
  126   3HG2  VAL  19          3HG2      VAL  19   4.832  -2.057  -4.499
  127    H    SER  20           H        SER  20   1.106  -2.807  -6.848
  128    HA   SER  20           HA       SER  20  -1.554  -3.095  -5.986
  129   1HB   SER  20          2HB       SER  20  -0.618  -2.161  -8.197
  130   2HB   SER  20          3HB       SER  20  -0.485  -3.812  -8.776
  131    HG   SER  20           HG       SER  20  -2.461  -2.862  -9.384
  132    H    ARG  21           H        ARG  21   0.521  -5.489  -7.656
  133    HA   ARG  21           HA       ARG  21  -1.189  -7.684  -7.526
  134   1HB   ARG  21          2HB       ARG  21   0.498  -8.596  -8.581
  135   2HB   ARG  21          3HB       ARG  21   1.482  -7.195  -8.282
  136   1HG   ARG  21          2HG       ARG  21   2.442  -8.175  -6.278
  137   2HG   ARG  21          3HG       ARG  21   1.391  -9.589  -6.396
  138   1HD   ARG  21          2HD       ARG  21   2.435 -10.205  -8.530
  139   2HD   ARG  21          3HD       ARG  21   3.371  -8.687  -8.531
  140    HE   ARG  21           HE       ARG  21   3.913 -10.103  -6.125
  141   1HH1  ARG  21          2HH2      ARG  21   4.533 -10.329  -9.582
  142   2HH1  ARG  21          1HH2      ARG  21   6.065 -11.132  -9.437
  143   1HH2  ARG  21          2HH1      ARG  21   5.960 -11.168  -5.869
  144   2HH2  ARG  21          1HH1      ARG  21   6.885 -11.631  -7.258
  145    H    VAL  22           H        VAL  22   1.083  -6.540  -4.964
  146    HA   VAL  22           HA       VAL  22   0.740  -8.786  -3.246
  147    HB   VAL  22           HB       VAL  22   2.018  -6.056  -3.306
  148   1HG1  VAL  22          1HG1      VAL  22   2.639  -6.223  -0.936
  149   2HG1  VAL  22          2HG1      VAL  22   0.974  -5.754  -1.325
  150   3HG1  VAL  22          3HG1      VAL  22   1.329  -7.421  -0.743
  151   1HG2  VAL  22          1HG2      VAL  22   3.202  -8.062  -4.025
  152   2HG2  VAL  22          2HG2      VAL  22   3.965  -7.217  -2.665
  153   3HG2  VAL  22          3HG2      VAL  22   3.048  -8.727  -2.378
  154    H    LEU  23           H        LEU  23  -0.670  -5.492  -3.335
  155    HA   LEU  23           HA       LEU  23  -2.334  -5.908  -1.040
  156   1HB   LEU  23          2HB       LEU  23  -1.936  -3.826  -3.078
  157   2HB   LEU  23          3HB       LEU  23  -3.592  -3.909  -2.597
  158    HG   LEU  23           HG       LEU  23  -1.242  -3.868  -0.634
  159   1HD1  LEU  23          1HD1      LEU  23  -1.221  -1.866  -2.135
  160   2HD1  LEU  23          2HD1      LEU  23  -2.907  -1.534  -1.661
  161   3HD1  LEU  23          3HD1      LEU  23  -1.590  -1.467  -0.458
  162   1HD2  LEU  23          1HD2      LEU  23  -4.145  -3.040  -0.326
  163   2HD2  LEU  23          2HD2      LEU  23  -3.571  -4.638   0.174
  164   3HD2  LEU  23          3HD2      LEU  23  -2.952  -3.195   0.986
  165    H    ASN  24           H        ASN  24  -2.850  -6.361  -4.554
  166    HA   ASN  24           HA       ASN  24  -5.599  -6.974  -4.405
  167   1HB   ASN  24          2HB       ASN  24  -4.579  -6.500  -6.549
  168   2HB   ASN  24          3HB       ASN  24  -3.461  -7.866  -6.377
  169   1HD2  ASN  24          1HD2      ASN  24  -6.997  -7.740  -5.612
  170   2HD2  ASN  24          2HD2      ASN  24  -7.343  -9.096  -6.663
  171    H    LYS  25           H        LYS  25  -2.715  -9.021  -3.950
  172    HA   LYS  25           HA       LYS  25  -3.963 -11.450  -3.591
  173   1HB   LYS  25          2HB       LYS  25  -1.436 -10.542  -3.182
  174   2HB   LYS  25          3HB       LYS  25  -1.908 -10.819  -1.513
  175   1HG   LYS  25          2HG       LYS  25  -1.879 -12.852  -3.806
  176   2HG   LYS  25          3HG       LYS  25  -0.749 -12.719  -2.467
  177   1HD   LYS  25          2HD       LYS  25  -1.990 -14.347  -1.535
  178   2HD   LYS  25          3HD       LYS  25  -2.965 -12.991  -0.991
  179   1HE   LYS  25          2HE       LYS  25  -4.059 -13.612  -3.537
  180   2HE   LYS  25          3HE       LYS  25  -3.543 -15.185  -2.950
  181   1HZ   LYS  25          1HZ       LYS  25  -5.318 -13.295  -1.551
  182   2HZ   LYS  25          2HZ       LYS  25  -5.809 -14.644  -2.349
  183   3HZ   LYS  25          3HZ       LYS  25  -4.904 -14.787  -0.979
  184    H    LEU  26           H        LEU  26  -3.915  -8.751  -1.249
  185    HA   LEU  26           HA       LEU  26  -5.505 -10.106   0.806
  186   1HB   LEU  26          2HB       LEU  26  -4.024  -8.316   1.374
  187   2HB   LEU  26          3HB       LEU  26  -4.788  -7.200   0.266
  188    HG   LEU  26           HG       LEU  26  -5.356  -6.444   2.267
  189   1HD1  LEU  26          1HD1      LEU  26  -7.697  -6.451   2.429
  190   2HD1  LEU  26          2HD1      LEU  26  -7.331  -6.697   0.708
  191   3HD1  LEU  26          3HD1      LEU  26  -7.865  -8.057   1.733
  192   1HD2  LEU  26          1HD2      LEU  26  -6.306  -7.678   4.113
  193   2HD2  LEU  26          2HD2      LEU  26  -6.238  -9.202   3.184
  194   3HD2  LEU  26          3HD2      LEU  26  -4.735  -8.365   3.650
  195    H    GLY  27           H        GLY  27  -6.116  -7.709  -1.801
  196   1HA   GLY  27          2HA       GLY  27  -7.751  -7.912  -3.430
  197   2HA   GLY  27          3HA       GLY  27  -8.563  -9.173  -2.508
  198    H    GLY  28           H        GLY  28  -9.274  -8.035  -0.169
  199   1HA   GLY  28          2HA       GLY  28 -11.492  -6.343  -0.973
  200   2HA   GLY  28          3HA       GLY  28 -11.085  -6.867   0.665
  201    H    VAL  29           H        VAL  29  -9.311  -4.870  -1.743
  202    HA   VAL  29           HA       VAL  29  -9.061  -2.636   0.229
  203    HB   VAL  29           HB       VAL  29  -6.665  -2.468  -0.660
  204   1HG1  VAL  29          1HG1      VAL  29  -6.670  -3.133   1.535
  205   2HG1  VAL  29          2HG1      VAL  29  -7.662  -4.561   1.235
  206   3HG1  VAL  29          3HG1      VAL  29  -5.949  -4.581   0.803
  207   1HG2  VAL  29          1HG2      VAL  29  -6.983  -5.415  -1.327
  208   2HG2  VAL  29          2HG2      VAL  29  -7.024  -4.159  -2.571
  209   3HG2  VAL  29          3HG2      VAL  29  -5.580  -4.364  -1.581
  210    H    LYS  30           H        LYS  30  -9.082  -0.588  -0.669
  211    HA   LYS  30           HA       LYS  30  -9.017  -0.297  -3.641
  212   1HB   LYS  30          2HB       LYS  30 -11.197   0.290  -2.507
  213   2HB   LYS  30          3HB       LYS  30 -10.346   1.433  -1.507
  214   1HG   LYS  30          2HG       LYS  30 -10.942   1.543  -4.471
  215   2HG   LYS  30          3HG       LYS  30 -11.508   2.622  -3.198
  216   1HD   LYS  30          2HD       LYS  30  -8.754   2.489  -4.445
  217   2HD   LYS  30          3HD       LYS  30  -9.899   3.788  -4.584
  218   1HE   LYS  30          2HE       LYS  30  -8.890   3.131  -1.784
  219   2HE   LYS  30          3HE       LYS  30  -7.821   3.876  -2.954
  220   1HZ   LYS  30          1HZ       LYS  30  -9.419   5.619  -3.229
  221   2HZ   LYS  30          2HZ       LYS  30 -10.327   5.051  -1.881
  222   3HZ   LYS  30          3HZ       LYS  30  -8.733   5.555  -1.823
  223    H    TYR  31           H        TYR  31  -7.119   0.942  -4.202
  224    HA   TYR  31           HA       TYR  31  -5.641   2.267  -1.994
  225   1HB   TYR  31          2HB       TYR  31  -3.576   1.095  -2.894
  226   2HB   TYR  31          3HB       TYR  31  -4.660   0.211  -1.838
  227    HD1  TYR  31           HD1      TYR  31  -6.286  -1.498  -2.787
  228    HD2  TYR  31           HD2      TYR  31  -3.033   0.186  -5.022
  229    HE1  TYR  31           HE1      TYR  31  -6.646  -3.184  -4.558
  230    HE2  TYR  31           HE2      TYR  31  -3.352  -1.552  -6.783
  231    HH   TYR  31           HH       TYR  31  -5.936  -4.016  -6.566
  232    H    ASP  32           H        ASP  32  -5.480   4.352  -2.603
  233    HA   ASP  32           HA       ASP  32  -5.421   5.011  -5.450
  234   1HB   ASP  32          2HB       ASP  32  -5.084   7.074  -3.288
  235   2HB   ASP  32          3HB       ASP  32  -5.765   7.188  -4.883
  236    H    ILE  33           H        ILE  33  -3.534   4.722  -6.390
  237    HA   ILE  33           HA       ILE  33  -0.977   4.641  -4.943
  238    HB   ILE  33           HB       ILE  33  -2.015   3.982  -7.708
  239   1HG1  ILE  33          2HG1      ILE  33  -0.529   1.990  -6.038
  240   2HG1  ILE  33          3HG1      ILE  33  -2.087   2.502  -5.382
  241   1HG2  ILE  33          1HG2      ILE  33   0.890   3.787  -6.846
  242   2HG2  ILE  33          2HG2      ILE  33   0.178   3.055  -8.298
  243   3HG2  ILE  33          3HG2      ILE  33   0.216   4.807  -8.138
  244   1HD1  ILE  33          1HD1      ILE  33  -3.327   1.809  -7.233
  245   2HD1  ILE  33          2HD1      ILE  33  -1.896   1.684  -8.294
  246   3HD1  ILE  33          3HD1      ILE  33  -2.138   0.502  -7.009
  247    H    ASP  34           H        ASP  34   0.497   6.269  -4.967
  248    HA   ASP  34           HA       ASP  34   0.428   8.259  -7.203
  249   1HB   ASP  34          2HB       ASP  34  -0.203   9.291  -5.041
  250   2HB   ASP  34          3HB       ASP  34   1.323   8.712  -4.346
  251    H    LEU  35           H        LEU  35   2.060   7.813  -8.493
  252    HA   LEU  35           HA       LEU  35   4.404   6.265  -7.693
  253   1HB   LEU  35          2HB       LEU  35   3.399   7.482 -10.264
  254   2HB   LEU  35          3HB       LEU  35   5.118   7.159 -10.094
  255    HG   LEU  35           HG       LEU  35   3.852   5.404 -11.288
  256   1HD1  LEU  35          1HD1      LEU  35   5.119   4.402  -8.718
  257   2HD1  LEU  35          2HD1      LEU  35   4.832   3.435 -10.159
  258   3HD1  LEU  35          3HD1      LEU  35   5.980   4.781 -10.223
  259   1HD2  LEU  35          1HD2      LEU  35   2.370   3.893 -10.158
  260   2HD2  LEU  35          2HD2      LEU  35   2.625   4.715  -8.603
  261   3HD2  LEU  35          3HD2      LEU  35   1.764   5.545  -9.928
  262    HA   PRO  36           HA       PRO  36   6.854  10.229  -8.638
  263   1HB   PRO  36          2HB       PRO  36   5.624  12.723  -8.458
  264   2HB   PRO  36          3HB       PRO  36   5.885  11.796  -9.962
  265   1HG   PRO  36          2HG       PRO  36   3.401  11.857  -8.234
  266   2HG   PRO  36          3HG       PRO  36   3.505  12.048 -10.008
  267   1HD   PRO  36          2HD       PRO  36   2.847   9.696  -8.963
  268   2HD   PRO  36          3HD       PRO  36   4.039   9.733 -10.294
  269    H    ASN  37           H        ASN  37   4.254  10.424  -6.224
  270    HA   ASN  37           HA       ASN  37   6.180  11.551  -4.216
  271   1HB   ASN  37          2HB       ASN  37   3.197  11.117  -3.942
  272   2HB   ASN  37          3HB       ASN  37   4.281  11.845  -2.768
  273   1HD2  ASN  37          1HD2      ASN  37   2.178  12.604  -5.333
  274   2HD2  ASN  37          2HD2      ASN  37   2.763  14.245  -5.606
  275    H    LYS  38           H        LYS  38   5.285   8.518  -5.366
  276    HA   LYS  38           HA       LYS  38   5.400   6.430  -4.608
  277   1HB   LYS  38          2HB       LYS  38   7.522   7.552  -2.731
  278   2HB   LYS  38          3HB       LYS  38   7.243   5.887  -3.203
  279   1HG   LYS  38          2HG       LYS  38   9.088   6.512  -4.473
  280   2HG   LYS  38          3HG       LYS  38   7.703   6.474  -5.584
  281   1HD   LYS  38          2HD       LYS  38   9.255   8.273  -6.052
  282   2HD   LYS  38          3HD       LYS  38   7.637   8.849  -5.687
  283   1HE   LYS  38          2HE       LYS  38   8.342   9.474  -3.392
  284   2HE   LYS  38          3HE       LYS  38   9.982   8.899  -3.749
  285   1HZ   LYS  38          1HZ       LYS  38   8.562  11.013  -5.253
  286   2HZ   LYS  38          2HZ       LYS  38   9.635  11.319  -4.032
  287   3HZ   LYS  38          3HZ       LYS  38  10.137  10.591  -5.426
  288    H    LYS  39           H        LYS  39   3.099   7.008  -3.688
  289    HA   LYS  39           HA       LYS  39   3.074   6.199  -0.828
  290   1HB   LYS  39          2HB       LYS  39   1.717   8.608  -2.126
  291   2HB   LYS  39          3HB       LYS  39   1.103   7.891  -0.653
  292   1HG   LYS  39          2HG       LYS  39   2.989   8.531   0.616
  293   2HG   LYS  39          3HG       LYS  39   3.947   8.938  -0.821
  294   1HD   LYS  39          2HD       LYS  39   2.523  10.772  -1.413
  295   2HD   LYS  39          3HD       LYS  39   1.293  10.332  -0.231
  296   1HE   LYS  39          2HE       LYS  39   4.111  11.165   0.594
  297   2HE   LYS  39          3HE       LYS  39   2.802  12.331   0.320
  298   1HZ   LYS  39          1HZ       LYS  39   2.857  11.731   2.647
  299   2HZ   LYS  39          2HZ       LYS  39   1.473  11.108   1.973
  300   3HZ   LYS  39          3HZ       LYS  39   2.653  10.126   2.289
  301    H    VAL  40           H        VAL  40   1.119   5.182  -0.204
  302    HA   VAL  40           HA       VAL  40  -0.844   4.565  -2.344
  303    HB   VAL  40           HB       VAL  40   0.155   2.608  -0.230
  304   1HG1  VAL  40          1HG1      VAL  40  -1.427   2.226  -2.807
  305   2HG1  VAL  40          2HG1      VAL  40  -1.119   1.007  -1.545
  306   3HG1  VAL  40          3HG1      VAL  40  -2.170   2.408  -1.212
  307   1HG2  VAL  40          1HG2      VAL  40   2.006   3.050  -1.840
  308   2HG2  VAL  40          2HG2      VAL  40   1.321   1.432  -1.992
  309   3HG2  VAL  40          3HG2      VAL  40   0.889   2.687  -3.180
  310    H    CYS  41           H        CYS  41  -2.620   5.637  -1.646
  311    HA   CYS  41           HA       CYS  41  -3.333   5.857   1.264
  312   1HB   CYS  41          2HB       CYS  41  -4.357   6.922  -1.346
  313   2HB   CYS  41          3HB       CYS  41  -5.423   6.927   0.041
  314    HG   CYS  41           HG       CYS  41  -2.356   8.108   0.094
  315    H    ILE  42           H        ILE  42  -3.872   3.818   2.018
  316    HA   ILE  42           HA       ILE  42  -5.541   2.261   0.177
  317    HB   ILE  42           HB       ILE  42  -4.519   1.247   2.825
  318   1HG1  ILE  42          2HG1      ILE  42  -3.238   1.012   0.081
  319   2HG1  ILE  42          3HG1      ILE  42  -2.615   1.985   1.444
  320   1HG2  ILE  42          1HG2      ILE  42  -4.986  -0.968   1.544
  321   2HG2  ILE  42          2HG2      ILE  42  -6.412   0.037   1.775
  322   3HG2  ILE  42          3HG2      ILE  42  -5.583   0.000   0.219
  323   1HD1  ILE  42          1HD1      ILE  42  -2.785  -1.024   1.472
  324   2HD1  ILE  42          2HD1      ILE  42  -1.378  -0.011   1.190
  325   3HD1  ILE  42          3HD1      ILE  42  -2.165   0.035   2.763
  326    H    GLU  43           H        GLU  43  -7.627   2.085   0.384
  327    HA   GLU  43           HA       GLU  43  -9.044   2.990   2.845
  328   1HB   GLU  43          2HB       GLU  43  -9.196   4.297   0.571
  329   2HB   GLU  43          3HB       GLU  43 -10.164   2.909   0.036
  330   1HG   GLU  43          2HG       GLU  43 -11.684   3.302   1.967
  331   2HG   GLU  43          3HG       GLU  43 -10.723   4.754   2.354
  332    H    SER  44           H        SER  44  -9.654   1.086   3.894
  333    HA   SER  44           HA       SER  44 -10.587  -1.244   2.339
  334   1HB   SER  44          2HB       SER  44  -8.105  -1.345   2.265
  335   2HB   SER  44          3HB       SER  44  -8.050  -1.264   4.041
  336    HG   SER  44           HG       SER  44  -9.253  -3.251   4.018
  337    H    GLU  45           H        GLU  45 -12.102  -2.314   3.530
  338    HA   GLU  45           HA       GLU  45 -12.477  -1.679   6.381
  339   1HB   GLU  45          2HB       GLU  45 -13.966  -3.589   4.527
  340   2HB   GLU  45          3HB       GLU  45 -14.432  -3.125   6.169
  341   1HG   GLU  45          2HG       GLU  45 -14.537  -0.722   5.426
  342   2HG   GLU  45          3HG       GLU  45 -14.219  -1.248   3.762
  343    H    HIS  46           H        HIS  46 -10.059  -2.482   6.414
  344    HA   HIS  46           HA       HIS  46 -10.028  -5.164   7.602
  345   1HB   HIS  46          2HB       HIS  46  -8.112  -4.290   5.380
  346   2HB   HIS  46          3HB       HIS  46  -7.749  -5.547   6.543
  347    HD1  HIS  46           1HD      HIS  46  -8.312  -7.913   5.866
  348    HD2  HIS  46           2HD      HIS  46 -10.435  -4.974   3.731
  349    HE1  HIS  46           1HE      HIS  46  -9.506  -9.108   3.957
  350    H    SER  47           H        SER  47  -7.858  -5.272   8.920
  351    HA   SER  47           HA       SER  47  -7.606  -2.686  10.276
  352   1HB   SER  47          2HB       SER  47  -7.553  -4.789  11.590
  353   2HB   SER  47          3HB       SER  47  -6.098  -5.280  10.717
  354    HG   SER  47           HG       SER  47  -6.411  -3.311  12.663
  355    H    MET  48           H        MET  48  -5.648  -1.577  10.524
  356    HA   MET  48           HA       MET  48  -3.837  -1.348   8.359
  357   1HB   MET  48          2HB       MET  48  -2.526   0.022   9.727
  358   2HB   MET  48          3HB       MET  48  -4.207   0.350  10.189
  359   1HG   MET  48          2HG       MET  48  -3.835  -1.427  12.007
  360   2HG   MET  48          3HG       MET  48  -2.099  -1.265  11.639
  361   1HE   MET  48          1HE       MET  48  -2.423   0.494  15.107
  362   2HE   MET  48          2HE       MET  48  -3.339  -0.925  14.545
  363   3HE   MET  48          3HE       MET  48  -1.601  -0.777  14.171
  364    H    ASP  49           H        ASP  49  -4.022  -3.623  11.085
  365    HA   ASP  49           HA       ASP  49  -1.353  -4.634  10.942
  366   1HB   ASP  49          2HB       ASP  49  -2.097  -5.952  12.590
  367   2HB   ASP  49          3HB       ASP  49  -3.693  -5.228  12.442
  368    H    THR  50           H        THR  50  -4.352  -5.816   9.424
  369    HA   THR  50           HA       THR  50  -3.196  -7.819   7.939
  370    HB   THR  50           HB       THR  50  -5.617  -6.498   6.785
  371    HG1  THR  50           1HG      THR  50  -5.468  -7.252   9.529
  372   1HG2  THR  50          1HG2      THR  50  -5.114  -9.278   7.934
  373   2HG2  THR  50          2HG2      THR  50  -6.532  -8.770   6.997
  374   3HG2  THR  50          3HG2      THR  50  -4.932  -8.825   6.224
  375    H    LEU  51           H        LEU  51  -3.980  -4.450   7.015
  376    HA   LEU  51           HA       LEU  51  -2.956  -4.532   4.352
  377   1HB   LEU  51          2HB       LEU  51  -2.915  -2.248   6.379
  378   2HB   LEU  51          3HB       LEU  51  -2.456  -2.132   4.688
  379    HG   LEU  51           HG       LEU  51  -5.170  -2.270   5.933
  380   1HD1  LEU  51          1HD1      LEU  51  -3.966  -1.096   3.402
  381   2HD1  LEU  51          2HD1      LEU  51  -5.597  -0.725   4.016
  382   3HD1  LEU  51          3HD1      LEU  51  -4.156  -0.223   4.914
  383   1HD2  LEU  51          1HD2      LEU  51  -5.308  -4.358   4.610
  384   2HD2  LEU  51          2HD2      LEU  51  -6.248  -3.066   3.874
  385   3HD2  LEU  51          3HD2      LEU  51  -4.675  -3.498   3.180
  386    H    LEU  52           H        LEU  52  -1.249  -3.659   7.397
  387    HA   LEU  52           HA       LEU  52   1.271  -3.163   6.356
  388   1HB   LEU  52          2HB       LEU  52   0.239  -4.025   8.961
  389   2HB   LEU  52          3HB       LEU  52   1.934  -4.360   8.649
  390    HG   LEU  52           HG       LEU  52   0.763  -1.627   8.063
  391   1HD1  LEU  52          1HD1      LEU  52   1.310  -0.876  10.284
  392   2HD1  LEU  52          2HD1      LEU  52   0.015  -2.083  10.248
  393   3HD1  LEU  52          3HD1      LEU  52   1.651  -2.567  10.767
  394   1HD2  LEU  52          1HD2      LEU  52   3.153  -2.215   7.375
  395   2HD2  LEU  52          2HD2      LEU  52   3.074  -0.884   8.539
  396   3HD2  LEU  52          3HD2      LEU  52   3.518  -2.513   9.082
  397    H    ALA  53           H        ALA  53   0.089  -6.267   7.700
  398    HA   ALA  53           HA       ALA  53   2.333  -7.844   7.143
  399   1HB   ALA  53          1HB       ALA  53   0.483  -8.486   8.657
  400   2HB   ALA  53          2HB       ALA  53  -0.606  -8.666   7.265
  401   3HB   ALA  53          3HB       ALA  53   0.788  -9.753   7.452
  402    H    THR  54           H        THR  54  -0.445  -7.048   5.013
  403    HA   THR  54           HA       THR  54   0.385  -8.765   2.857
  404    HB   THR  54           HB       THR  54  -1.347  -6.251   2.888
  405    HG1  THR  54           1HG      THR  54  -2.225  -7.784   4.215
  406   1HG2  THR  54          1HG2      THR  54  -1.155  -8.530   0.894
  407   2HG2  THR  54          2HG2      THR  54  -2.274  -7.148   0.848
  408   3HG2  THR  54          3HG2      THR  54  -0.550  -6.873   0.637
  409    H    LEU  55           H        LEU  55   0.822  -5.256   3.584
  410    HA   LEU  55           HA       LEU  55   1.924  -4.762   0.974
  411   1HB   LEU  55          2HB       LEU  55   1.203  -3.230   3.390
  412   2HB   LEU  55          3HB       LEU  55   2.649  -2.625   2.587
  413    HG   LEU  55           HG       LEU  55  -0.162  -2.738   1.517
  414   1HD1  LEU  55          1HD1      LEU  55   0.146  -0.838   2.849
  415   2HD1  LEU  55          2HD1      LEU  55   1.851  -0.652   2.444
  416   3HD1  LEU  55          3HD1      LEU  55   0.669  -0.199   1.262
  417   1HD2  LEU  55          1HD2      LEU  55   0.750  -1.587  -0.489
  418   2HD2  LEU  55          2HD2      LEU  55   2.392  -2.068  -0.004
  419   3HD2  LEU  55          3HD2      LEU  55   1.168  -3.294  -0.428
  420    H    LYS  56           H        LYS  56   3.337  -5.400   4.174
  421    HA   LYS  56           HA       LYS  56   6.062  -4.983   3.844
  422   1HB   LYS  56          2HB       LYS  56   4.258  -6.818   5.339
  423   2HB   LYS  56          3HB       LYS  56   5.795  -7.527   4.946
  424   1HG   LYS  56          2HG       LYS  56   5.927  -6.655   7.031
  425   2HG   LYS  56          3HG       LYS  56   7.030  -5.710   6.041
  426   1HD   LYS  56          2HD       LYS  56   4.239  -4.739   6.910
  427   2HD   LYS  56          3HD       LYS  56   5.640  -4.666   7.947
  428   1HE   LYS  56          2HE       LYS  56   5.730  -2.560   7.180
  429   2HE   LYS  56          3HE       LYS  56   6.832  -3.332   6.044
  430   1HZ   LYS  56          1HZ       LYS  56   3.978  -2.737   5.541
  431   2HZ   LYS  56          2HZ       LYS  56   5.254  -1.809   5.060
  432   3HZ   LYS  56          3HZ       LYS  56   5.044  -3.331   4.443
  433    H    LYS  57           H        LYS  57   4.048  -7.415   2.108
  434    HA   LYS  57           HA       LYS  57   6.328  -9.019   1.395
  435   1HB   LYS  57          2HB       LYS  57   3.579  -8.983   0.115
  436   2HB   LYS  57          3HB       LYS  57   4.810 -10.255   0.008
  437   1HG   LYS  57          2HG       LYS  57   4.705 -10.422   2.559
  438   2HG   LYS  57          3HG       LYS  57   3.289  -9.361   2.488
  439   1HD   LYS  57          2HD       LYS  57   2.395 -11.126   0.733
  440   2HD   LYS  57          3HD       LYS  57   3.603 -12.186   1.461
  441   1HE   LYS  57          2HE       LYS  57   1.081 -10.991   2.646
  442   2HE   LYS  57          3HE       LYS  57   1.632 -12.667   2.662
  443   1HZ   LYS  57          1HZ       LYS  57   3.392 -11.873   4.239
  444   2HZ   LYS  57          2HZ       LYS  57   2.595 -10.418   4.309
  445   3HZ   LYS  57          3HZ       LYS  57   1.852 -11.780   4.813
  446    H    THR  58           H        THR  58   5.394  -5.953   0.192
  447    HA   THR  58           HA       THR  58   6.597  -6.022  -2.464
  448    HB   THR  58           HB       THR  58   7.052  -3.660  -2.010
  449    HG1  THR  58           1HG      THR  58   5.853  -3.994   0.514
  450   1HG2  THR  58          1HG2      THR  58   4.302  -4.670  -1.208
  451   2HG2  THR  58          2HG2      THR  58   4.702  -2.966  -1.418
  452   3HG2  THR  58          3HG2      THR  58   4.854  -4.100  -2.793
  453    H    GLY  59           H        GLY  59   7.787  -5.882   0.855
  454   1HA   GLY  59          2HA       GLY  59   9.738  -6.081   1.804
  455   2HA   GLY  59          3HA       GLY  59  10.398  -6.905   0.365
  456    H    LYS  60           H        LYS  60   9.072  -3.584   0.797
  457    HA   LYS  60           HA       LYS  60  11.738  -2.374   0.215
  458   1HB   LYS  60          2HB       LYS  60   9.032  -1.322  -0.630
  459   2HB   LYS  60          3HB       LYS  60  10.623  -0.768  -1.130
  460   1HG   LYS  60          2HG       LYS  60  11.007  -3.081  -2.210
  461   2HG   LYS  60          3HG       LYS  60   9.308  -3.406  -1.890
  462   1HD   LYS  60          2HD       LYS  60   9.257  -2.699  -4.090
  463   2HD   LYS  60          3HD       LYS  60   8.779  -1.253  -3.186
  464   1HE   LYS  60          2HE       LYS  60  11.369  -0.678  -3.197
  465   2HE   LYS  60          3HE       LYS  60  11.495  -1.879  -4.481
  466   1HZ   LYS  60          1HZ       LYS  60   9.693   0.460  -4.566
  467   2HZ   LYS  60          2HZ       LYS  60  11.231   0.517  -5.047
  468   3HZ   LYS  60          3HZ       LYS  60  10.159  -0.444  -5.869
  469    H    THR  61           H        THR  61  11.261   0.200   0.689
  470    HA   THR  61           HA       THR  61  10.756   0.386   3.463
  471    HB   THR  61           HB       THR  61  10.980   2.655   1.560
  472    HG1  THR  61           1HG      THR  61  13.101   1.009   2.463
  473   1HG2  THR  61          1HG2      THR  61  12.354   3.670   3.359
  474   2HG2  THR  61          2HG2      THR  61  10.749   3.231   3.968
  475   3HG2  THR  61          3HG2      THR  61  12.153   2.209   4.349
  476    H    VAL  62           H        VAL  62   8.496  -0.625   2.898
  477    HA   VAL  62           HA       VAL  62   6.430   1.401   2.249
  478    HB   VAL  62           HB       VAL  62   6.206  -0.483   1.052
  479   1HG1  VAL  62          1HG1      VAL  62   7.387  -2.252   1.903
  480   2HG1  VAL  62          2HG1      VAL  62   6.794  -2.046   3.549
  481   3HG1  VAL  62          3HG1      VAL  62   5.746  -2.768   2.312
  482   1HG2  VAL  62          1HG2      VAL  62   4.139  -0.890   3.222
  483   2HG2  VAL  62          2HG2      VAL  62   4.115   0.451   2.064
  484   3HG2  VAL  62          3HG2      VAL  62   4.024  -1.212   1.476
  485    H    SER  63           H        SER  63   6.441   2.680   3.904
  486    HA   SER  63           HA       SER  63   6.189   1.691   6.703
  487   1HB   SER  63          2HB       SER  63   6.811   4.459   5.596
  488   2HB   SER  63          3HB       SER  63   6.883   3.974   7.300
  489    HG   SER  63           HG       SER  63   8.495   2.419   6.657
  490    H    TYR  64           H        TYR  64   4.379   1.987   7.875
  491    HA   TYR  64           HA       TYR  64   1.899   2.967   6.679
  492   1HB   TYR  64          2HB       TYR  64   1.721   1.021   8.006
  493   2HB   TYR  64          3HB       TYR  64   2.788   1.646   9.251
  494    HD1  TYR  64           HD1      TYR  64  -0.690   1.796   7.933
  495    HD2  TYR  64           HD2      TYR  64   2.016   2.958  11.085
  496    HE1  TYR  64           HE1      TYR  64  -2.610   2.489   9.341
  497    HE2  TYR  64           HE2      TYR  64   0.091   3.674  12.469
  498    HH   TYR  64           HH       TYR  64  -3.234   3.698  11.193
  499    H    LEU  65           H        LEU  65   1.051   4.982   6.960
  500    HA   LEU  65           HA       LEU  65   2.166   6.833   9.033
  501   1HB   LEU  65          2HB       LEU  65   0.572   7.366   6.525
  502   2HB   LEU  65          3HB       LEU  65   0.809   8.517   7.831
  503    HG   LEU  65           HG       LEU  65   3.383   7.918   7.567
  504   1HD1  LEU  65          1HD1      LEU  65   4.008   7.570   5.246
  505   2HD1  LEU  65          2HD1      LEU  65   3.135   6.167   5.851
  506   3HD1  LEU  65          3HD1      LEU  65   2.309   7.313   4.779
  507   1HD2  LEU  65          1HD2      LEU  65   3.576   9.833   6.051
  508   2HD2  LEU  65          2HD2      LEU  65   1.828   9.727   5.702
  509   3HD2  LEU  65          3HD2      LEU  65   2.398  10.087   7.356
  510    H    GLY  66           H        GLY  66   0.148   8.253   9.821
  511   1HA   GLY  66          2HA       GLY  66  -1.037   6.549  11.689
  512   2HA   GLY  66          3HA       GLY  66  -1.505   8.230  11.391
  513    H    LEU  67           H        LEU  67  -3.407   6.567  12.266
  514    HA   LEU  67           HA       LEU  67  -4.975   5.355  10.162
  515   1HB   LEU  67          2HB       LEU  67  -4.766   5.017  12.839
  516   2HB   LEU  67          3HB       LEU  67  -6.031   6.230  12.868
  517    HG   LEU  67           HG       LEU  67  -7.058   4.175  13.038
  518   1HD1  LEU  67          1HD1      LEU  67  -8.491   3.921  11.099
  519   2HD1  LEU  67          2HD1      LEU  67  -8.163   5.643  11.349
  520   3HD1  LEU  67          3HD1      LEU  67  -7.329   4.752  10.057
  521   1HD2  LEU  67          1HD2      LEU  67  -5.229   2.715  12.481
  522   2HD2  LEU  67          2HD2      LEU  67  -6.653   2.225  11.557
  523   3HD2  LEU  67          3HD2      LEU  67  -5.341   3.126  10.763
  524    H    GLU  68           H        GLU  68  -6.549   6.444   8.930
  525    HA   GLU  68           HA       GLU  68  -7.215   9.277   9.610
  526   1HB   GLU  68          2HB       GLU  68  -6.980   7.897   6.966
  527   2HB   GLU  68          3HB       GLU  68  -7.324   9.612   7.176
  528   1HG   GLU  68          2HG       GLU  68  -5.027  10.036   7.864
  529   2HG   GLU  68          3HG       GLU  68  -4.675   8.307   8.004
  Start of MODEL    7
    1   1H    MET   1           H1       MET   1 -11.120   7.249   9.354
    2   2H    MET   1           H2       MET   1 -12.619   7.876   9.436
    3   3H    MET   1           H3       MET   1 -12.043   6.774  10.576
    4    HA   MET   1           HA       MET   1 -13.567   5.660   9.074
    5   1HB   MET   1          2HB       MET   1 -11.657   5.629   6.821
    6   2HB   MET   1          3HB       MET   1 -13.409   5.847   6.824
    7   1HG   MET   1          2HG       MET   1 -11.267   7.955   7.229
    8   2HG   MET   1          3HG       MET   1 -12.290   7.747   5.819
    9   1HE   MET   1          1HE       MET   1 -12.399  10.482   6.232
   10   2HE   MET   1          2HE       MET   1 -13.201  11.200   7.649
   11   3HE   MET   1          3HE       MET   1 -11.645  10.363   7.842
   12    HA   PRO   2           HA       PRO   2  -9.837   2.820   9.413
   13   1HB   PRO   2          2HB       PRO   2 -10.204   0.669   7.905
   14   2HB   PRO   2          3HB       PRO   2 -11.354   1.008   9.222
   15   1HG   PRO   2          2HG       PRO   2 -11.711   1.637   6.279
   16   2HG   PRO   2          3HG       PRO   2 -12.876   0.847   7.376
   17   1HD   PRO   2          2HD       PRO   2 -12.832   3.551   6.750
   18   2HD   PRO   2          3HD       PRO   2 -13.525   2.916   8.269
   19    H    LYS   3           H        LYS   3  -9.291   5.170   8.060
   20    HA   LYS   3           HA       LYS   3  -8.429   4.451   5.316
   21   1HB   LYS   3          2HB       LYS   3  -9.804   6.459   5.650
   22   2HB   LYS   3          3HB       LYS   3  -8.555   7.138   6.705
   23   1HG   LYS   3          2HG       LYS   3  -6.939   7.079   4.897
   24   2HG   LYS   3          3HG       LYS   3  -8.120   6.267   3.847
   25   1HD   LYS   3          2HD       LYS   3  -9.590   8.281   3.979
   26   2HD   LYS   3          3HD       LYS   3  -8.456   9.058   5.093
   27   1HE   LYS   3          2HE       LYS   3  -8.314   9.786   2.647
   28   2HE   LYS   3          3HE       LYS   3  -6.780   9.312   3.413
   29   1HZ   LYS   3          1HZ       LYS   3  -6.787   7.303   2.344
   30   2HZ   LYS   3          2HZ       LYS   3  -8.384   7.417   1.847
   31   3HZ   LYS   3          3HZ       LYS   3  -7.201   8.355   1.159
   32    H    HIS   4           H        HIS   4  -6.323   4.234   4.806
   33    HA   HIS   4           HA       HIS   4  -4.294   4.302   6.986
   34   1HB   HIS   4          2HB       HIS   4  -5.062   1.887   5.308
   35   2HB   HIS   4          3HB       HIS   4  -3.818   1.997   6.572
   36    HD1  HIS   4           1HD      HIS   4  -6.077   3.537   8.591
   37    HD2  HIS   4           2HD      HIS   4  -6.283  -0.146   6.575
   38    HE1  HIS   4           1HE      HIS   4  -7.602   2.007   9.980
   39    H    GLU   5           H        GLU   5  -3.067   5.804   5.911
   40    HA   GLU   5           HA       GLU   5  -2.192   5.288   3.136
   41   1HB   GLU   5          2HB       GLU   5  -2.047   7.623   5.016
   42   2HB   GLU   5          3HB       GLU   5  -0.929   7.543   3.659
   43   1HG   GLU   5          2HG       GLU   5  -2.935   8.895   3.215
   44   2HG   GLU   5          3HG       GLU   5  -2.887   7.490   2.166
   45    H    PHE   6           H        PHE   6  -0.071   5.080   2.471
   46    HA   PHE   6           HA       PHE   6   2.016   4.489   4.481
   47   1HB   PHE   6          2HB       PHE   6   1.215   2.691   2.159
   48   2HB   PHE   6          3HB       PHE   6   2.647   2.467   3.153
   49    HD1  PHE   6           1HD      PHE   6  -1.119   2.533   3.301
   50    HD2  PHE   6           2HD      PHE   6   2.525   1.130   5.167
   51    HE1  PHE   6           1HE      PHE   6  -2.424   1.142   4.840
   52    HE2  PHE   6           2HE      PHE   6   1.218  -0.439   6.502
   53    HZ   PHE   6           HZ       PHE   6  -1.276  -0.400   6.423
   54    H    SER   7           H        SER   7   4.093   4.985   3.672
   55    HA   SER   7           HA       SER   7   4.209   6.155   0.915
   56   1HB   SER   7          2HB       SER   7   4.572   7.926   2.543
   57   2HB   SER   7          3HB       SER   7   5.917   7.012   3.252
   58    HG   SER   7           HG       SER   7   5.861   7.569   0.455
   59    H    VAL   8           H        VAL   8   5.863   5.388  -0.399
   60    HA   VAL   8           HA       VAL   8   7.147   2.867   0.518
   61    HB   VAL   8           HB       VAL   8   5.216   3.203  -1.824
   62   1HG1  VAL   8          1HG1      VAL   8   6.702   0.765  -0.782
   63   2HG1  VAL   8          2HG1      VAL   8   5.256   0.645  -1.800
   64   3HG1  VAL   8          3HG1      VAL   8   6.683   1.422  -2.439
   65   1HG2  VAL   8          1HG2      VAL   8   4.808   1.982   0.918
   66   2HG2  VAL   8          2HG2      VAL   8   3.861   3.264   0.140
   67   3HG2  VAL   8          3HG2      VAL   8   3.762   1.608  -0.453
   68    H    ASP   9           H        ASP   9   8.378   1.998  -1.519
   69    HA   ASP   9           HA       ASP   9   9.789   4.231  -2.930
   70   1HB   ASP   9          2HB       ASP   9  11.461   2.900  -1.945
   71   2HB   ASP   9          3HB       ASP   9  10.592   1.395  -2.265
   72    H    MET  10           H        MET  10   8.695   4.649  -4.770
   73    HA   MET  10           HA       MET  10   8.614   2.388  -6.634
   74   1HB   MET  10          2HB       MET  10   6.599   4.659  -6.859
   75   2HB   MET  10          3HB       MET  10   6.755   3.210  -7.865
   76   1HG   MET  10          2HG       MET  10   4.928   2.832  -6.529
   77   2HG   MET  10          3HG       MET  10   6.165   1.870  -5.721
   78   1HE   MET  10          1HE       MET  10   3.122   3.313  -5.053
   79   2HE   MET  10          2HE       MET  10   3.795   2.051  -3.982
   80   3HE   MET  10          3HE       MET  10   3.323   3.643  -3.326
   81    H    THR  11           H        THR  11  10.894   3.443  -6.380
   82    HA   THR  11           HA       THR  11  11.309   5.822  -7.938
   83    HB   THR  11           HB       THR  11  13.234   3.566  -7.242
   84    HG1  THR  11           1HG      THR  11  12.370   4.434  -5.411
   85   1HG2  THR  11          1HG2      THR  11  13.726   6.471  -8.051
   86   2HG2  THR  11          2HG2      THR  11  14.953   5.373  -7.385
   87   3HG2  THR  11          3HG2      THR  11  14.227   5.026  -8.961
   88    H    CYS  12           HN       CYS  12  10.582   2.527  -8.884
   89    HA   CYS  12           HA       CYS  12  10.654   3.450 -11.656
   90   1HB   CYS  12          2HB       CYS  12  11.287   1.125 -12.376
   91   2HB   CYS  12          3HB       CYS  12  12.583   2.146 -11.753
   92    H    GLY  13           H        GLY  13   8.913   2.882 -12.769
   93   1HA   GLY  13          2HA       GLY  13   6.553   2.961 -11.481
   94   2HA   GLY  13          3HA       GLY  13   6.710   2.360 -13.138
   95    H    GLY  14           H        GLY  14   8.126  -0.029 -12.603
   96   1HA   GLY  14          2HA       GLY  14   6.039  -1.808 -12.326
   97   2HA   GLY  14          3HA       GLY  14   7.751  -2.238 -12.136
   98    H    CYS  15           HN       CYS  15   7.945  -0.370  -9.664
   99    HA   CYS  15           HA       CYS  15   7.220  -2.313  -7.679
  100   1HB   CYS  15          2HB       CYS  15   7.860   0.623  -7.532
  101   2HB   CYS  15          3HB       CYS  15   7.603  -0.388  -6.104
  102    H    ALA  16           H        ALA  16   5.450   0.470  -9.090
  103    HA   ALA  16           HA       ALA  16   3.322   0.499  -7.143
  104   1HB   ALA  16          1HB       ALA  16   2.103   1.767  -8.825
  105   2HB   ALA  16          2HB       ALA  16   3.772   2.359  -8.729
  106   3HB   ALA  16          3HB       ALA  16   3.265   1.320 -10.080
  107    H    GLU  17           H        GLU  17   3.838  -1.158 -10.278
  108    HA   GLU  17           HA       GLU  17   1.353  -2.519 -10.413
  109   1HB   GLU  17          2HB       GLU  17   4.060  -3.460 -11.465
  110   2HB   GLU  17          3HB       GLU  17   2.469  -4.020 -11.972
  111   1HG   GLU  17          2HG       GLU  17   1.923  -1.779 -12.842
  112   2HG   GLU  17          3HG       GLU  17   3.494  -1.155 -12.308
  113    H    ALA  18           H        ALA  18   4.522  -3.539  -9.070
  114    HA   ALA  18           HA       ALA  18   3.774  -6.083  -8.116
  115   1HB   ALA  18          1HB       ALA  18   6.110  -5.240  -8.224
  116   2HB   ALA  18          2HB       ALA  18   5.759  -4.132  -6.877
  117   3HB   ALA  18          3HB       ALA  18   5.702  -5.882  -6.616
  118    H    VAL  19           H        VAL  19   3.728  -2.903  -6.352
  119    HA   VAL  19           HA       VAL  19   2.695  -3.807  -3.928
  120    HB   VAL  19           HB       VAL  19   2.392  -1.210  -5.494
  121   1HG1  VAL  19          1HG1      VAL  19   1.737  -0.289  -3.257
  122   2HG1  VAL  19          2HG1      VAL  19   0.511  -1.298  -4.031
  123   3HG1  VAL  19          3HG1      VAL  19   1.519  -1.992  -2.724
  124   1HG2  VAL  19          1HG2      VAL  19   4.698  -2.084  -4.381
  125   2HG2  VAL  19          2HG2      VAL  19   4.197  -0.385  -4.345
  126   3HG2  VAL  19          3HG2      VAL  19   3.939  -1.405  -2.932
  127    H    SER  20           H        SER  20   1.000  -2.677  -6.872
  128    HA   SER  20           HA       SER  20  -1.596  -2.939  -5.864
  129   1HB   SER  20          2HB       SER  20  -0.798  -1.887  -8.081
  130   2HB   SER  20          3HB       SER  20  -0.829  -3.492  -8.786
  131    HG   SER  20           HG       SER  20  -3.103  -2.537  -7.404
  132    H    ARG  21           H        ARG  21   0.275  -5.272  -7.781
  133    HA   ARG  21           HA       ARG  21  -1.458  -7.454  -7.709
  134   1HB   ARG  21          2HB       ARG  21   0.179  -8.333  -8.852
  135   2HB   ARG  21          3HB       ARG  21   1.189  -6.956  -8.522
  136   1HG   ARG  21          2HG       ARG  21   2.200  -8.054  -6.588
  137   2HG   ARG  21          3HG       ARG  21   1.137  -9.446  -6.765
  138   1HD   ARG  21          2HD       ARG  21   2.119  -9.928  -8.975
  139   2HD   ARG  21          3HD       ARG  21   3.051  -8.412  -8.905
  140    HE   ARG  21           HE       ARG  21   3.679 -10.012  -6.630
  141   1HH1  ARG  21          2HH2      ARG  21   4.216  -9.886 -10.112
  142   2HH1  ARG  21          1HH2      ARG  21   5.757 -10.681 -10.077
  143   1HH2  ARG  21          2HH1      ARG  21   5.738 -11.083  -6.533
  144   2HH2  ARG  21          1HH1      ARG  21   6.632 -11.386  -7.985
  145    H    VAL  22           H        VAL  22   0.859  -6.428  -5.162
  146    HA   VAL  22           HA       VAL  22   0.593  -8.753  -3.551
  147    HB   VAL  22           HB       VAL  22   1.880  -6.071  -3.522
  148   1HG1  VAL  22          1HG1      VAL  22   0.863  -5.545  -1.618
  149   2HG1  VAL  22          2HG1      VAL  22   0.918  -7.187  -0.922
  150   3HG1  VAL  22          3HG1      VAL  22   2.397  -6.245  -1.067
  151   1HG2  VAL  22          1HG2      VAL  22   2.791  -8.763  -2.571
  152   2HG2  VAL  22          2HG2      VAL  22   3.052  -8.020  -4.166
  153   3HG2  VAL  22          3HG2      VAL  22   3.756  -7.267  -2.723
  154    H    LEU  23           H        LEU  23  -0.854  -5.515  -3.414
  155    HA   LEU  23           HA       LEU  23  -2.415  -5.969  -1.074
  156   1HB   LEU  23          2HB       LEU  23  -2.063  -3.862  -3.084
  157   2HB   LEU  23          3HB       LEU  23  -3.712  -3.933  -2.583
  158    HG   LEU  23           HG       LEU  23  -1.340  -3.886  -0.658
  159   1HD1  LEU  23          1HD1      LEU  23  -3.055  -1.568  -1.659
  160   2HD1  LEU  23          2HD1      LEU  23  -1.730  -1.489  -0.484
  161   3HD1  LEU  23          3HD1      LEU  23  -1.378  -1.881  -2.167
  162   1HD2  LEU  23          1HD2      LEU  23  -4.247  -3.084  -0.298
  163   2HD2  LEU  23          2HD2      LEU  23  -3.649  -4.679   0.177
  164   3HD2  LEU  23          3HD2      LEU  23  -3.033  -3.232   0.993
  165    H    ASN  24           H        ASN  24  -3.112  -6.144  -4.606
  166    HA   ASN  24           HA       ASN  24  -5.841  -6.842  -4.477
  167   1HB   ASN  24          2HB       ASN  24  -4.888  -6.335  -6.627
  168   2HB   ASN  24          3HB       ASN  24  -3.662  -7.603  -6.456
  169   1HD2  ASN  24          1HD2      ASN  24  -7.247  -7.563  -5.920
  170   2HD2  ASN  24          2HD2      ASN  24  -7.532  -8.964  -6.928
  171    H    LYS  25           H        LYS  25  -2.909  -8.963  -4.277
  172    HA   LYS  25           HA       LYS  25  -4.386 -11.369  -4.125
  173   1HB   LYS  25          2HB       LYS  25  -1.598 -10.482  -3.739
  174   2HB   LYS  25          3HB       LYS  25  -2.074 -11.737  -2.622
  175   1HG   LYS  25          2HG       LYS  25  -1.121 -12.673  -4.707
  176   2HG   LYS  25          3HG       LYS  25  -2.794 -13.185  -4.499
  177   1HD   LYS  25          2HD       LYS  25  -2.661 -10.669  -6.017
  178   2HD   LYS  25          3HD       LYS  25  -1.599 -11.870  -6.743
  179   1HE   LYS  25          2HE       LYS  25  -3.428 -13.454  -7.007
  180   2HE   LYS  25          3HE       LYS  25  -4.532 -12.437  -6.073
  181   1HZ   LYS  25          1HZ       LYS  25  -4.438 -10.779  -7.775
  182   2HZ   LYS  25          2HZ       LYS  25  -3.373 -11.669  -8.666
  183   3HZ   LYS  25          3HZ       LYS  25  -4.904 -12.213  -8.409
  184    H    LEU  26           H        LEU  26  -3.738  -9.037  -1.558
  185    HA   LEU  26           HA       LEU  26  -4.745 -10.635   0.629
  186   1HB   LEU  26          2HB       LEU  26  -3.570  -8.778   1.247
  187   2HB   LEU  26          3HB       LEU  26  -4.284  -7.724   0.082
  188    HG   LEU  26           HG       LEU  26  -4.874  -6.955   2.155
  189   1HD1  LEU  26          1HD1      LEU  26  -6.687  -6.923   0.385
  190   2HD1  LEU  26          2HD1      LEU  26  -7.495  -8.205   1.325
  191   3HD1  LEU  26          3HD1      LEU  26  -7.133  -6.682   2.103
  192   1HD2  LEU  26          1HD2      LEU  26  -6.244  -8.160   3.731
  193   2HD2  LEU  26          2HD2      LEU  26  -6.164  -9.640   2.731
  194   3HD2  LEU  26          3HD2      LEU  26  -4.680  -9.004   3.491
  195    H    GLY  27           H        GLY  27  -6.326  -8.362  -1.687
  196   1HA   GLY  27          2HA       GLY  27  -8.243  -9.501  -2.799
  197   2HA   GLY  27          3HA       GLY  27  -8.910  -9.832  -1.212
  198    H    GLY  28           H        GLY  28  -9.872  -8.119   0.059
  199   1HA   GLY  28          2HA       GLY  28 -11.479  -6.673  -1.868
  200   2HA   GLY  28          3HA       GLY  28 -11.777  -6.889  -0.141
  201    H    VAL  29           H        VAL  29  -8.968  -5.437  -1.736
  202    HA   VAL  29           HA       VAL  29  -9.246  -3.068   0.067
  203    HB   VAL  29           HB       VAL  29  -6.816  -2.710  -0.631
  204   1HG1  VAL  29          1HG1      VAL  29  -7.257  -3.536   1.546
  205   2HG1  VAL  29          2HG1      VAL  29  -7.822  -5.086   0.921
  206   3HG1  VAL  29          3HG1      VAL  29  -6.089  -4.703   0.882
  207   1HG2  VAL  29          1HG2      VAL  29  -6.939  -4.269  -2.666
  208   2HG2  VAL  29          2HG2      VAL  29  -5.589  -4.538  -1.553
  209   3HG2  VAL  29          3HG2      VAL  29  -6.971  -5.626  -1.530
  210    H    LYS  30           H        LYS  30  -8.992  -0.909  -0.710
  211    HA   LYS  30           HA       LYS  30  -8.579  -0.554  -3.524
  212   1HB   LYS  30          2HB       LYS  30 -11.204   0.110  -2.267
  213   2HB   LYS  30          3HB       LYS  30 -10.460   1.451  -3.146
  214   1HG   LYS  30          2HG       LYS  30 -10.804  -1.329  -4.309
  215   2HG   LYS  30          3HG       LYS  30 -11.965  -0.024  -4.548
  216   1HD   LYS  30          2HD       LYS  30 -10.648   1.132  -6.017
  217   2HD   LYS  30          3HD       LYS  30  -9.132   0.736  -5.217
  218   1HE   LYS  30          2HE       LYS  30  -9.210  -1.574  -6.094
  219   2HE   LYS  30          3HE       LYS  30 -10.728  -1.208  -6.938
  220   1HZ   LYS  30          1HZ       LYS  30  -8.133   0.118  -7.424
  221   2HZ   LYS  30          2HZ       LYS  30  -8.829  -1.019  -8.386
  222   3HZ   LYS  30          3HZ       LYS  30  -9.538   0.453  -8.213
  223    H    TYR  31           H        TYR  31  -7.478   1.302  -3.946
  224    HA   TYR  31           HA       TYR  31  -6.601   2.953  -1.788
  225   1HB   TYR  31          2HB       TYR  31  -4.194   2.104  -2.119
  226   2HB   TYR  31          3HB       TYR  31  -5.280   1.021  -1.269
  227    HD1  TYR  31           HD1      TYR  31  -2.976   1.195  -3.978
  228    HD2  TYR  31           HD2      TYR  31  -6.305  -0.989  -2.357
  229    HE1  TYR  31           HE1      TYR  31  -2.433  -0.745  -5.425
  230    HE2  TYR  31           HE2      TYR  31  -5.972  -2.764  -4.042
  231    HH   TYR  31           HH       TYR  31  -4.555  -3.601  -5.678
  232    H    ASP  32           H        ASP  32  -5.130   4.570  -2.561
  233    HA   ASP  32           HA       ASP  32  -5.155   4.954  -5.526
  234   1HB   ASP  32          2HB       ASP  32  -6.217   6.833  -4.292
  235   2HB   ASP  32          3HB       ASP  32  -4.729   7.040  -3.352
  236    H    ILE  33           H        ILE  33  -3.081   5.751  -6.354
  237    HA   ILE  33           HA       ILE  33  -0.704   4.556  -5.010
  238    HB   ILE  33           HB       ILE  33  -1.913   4.028  -7.752
  239   1HG1  ILE  33          2HG1      ILE  33  -1.178   2.034  -5.574
  240   2HG1  ILE  33          3HG1      ILE  33  -2.811   2.721  -5.734
  241   1HG2  ILE  33          1HG2      ILE  33   0.040   2.530  -8.106
  242   2HG2  ILE  33          2HG2      ILE  33   0.482   4.233  -7.998
  243   3HG2  ILE  33          3HG2      ILE  33   0.760   3.167  -6.601
  244   1HD1  ILE  33          1HD1      ILE  33  -2.795   1.968  -8.194
  245   2HD1  ILE  33          2HD1      ILE  33  -1.516   0.841  -7.682
  246   3HD1  ILE  33          3HD1      ILE  33  -3.133   0.800  -6.939
  247    H    ASP  34           H        ASP  34   0.176   6.622  -4.701
  248    HA   ASP  34           HA       ASP  34   0.291   8.447  -7.085
  249   1HB   ASP  34          2HB       ASP  34  -0.436   9.452  -4.950
  250   2HB   ASP  34          3HB       ASP  34   1.151   8.999  -4.281
  251    H    LEU  35           H        LEU  35   1.845   7.687  -8.369
  252    HA   LEU  35           HA       LEU  35   4.228   6.450  -7.453
  253   1HB   LEU  35          2HB       LEU  35   2.767   6.635  -9.841
  254   2HB   LEU  35          3HB       LEU  35   4.263   7.493 -10.208
  255    HG   LEU  35           HG       LEU  35   4.235   4.755  -8.842
  256   1HD1  LEU  35          1HD1      LEU  35   2.923   4.602 -10.898
  257   2HD1  LEU  35          2HD1      LEU  35   4.289   5.258 -11.832
  258   3HD1  LEU  35          3HD1      LEU  35   4.443   3.684 -11.005
  259   1HD2  LEU  35          1HD2      LEU  35   6.514   4.630  -9.792
  260   2HD2  LEU  35          2HD2      LEU  35   6.282   6.213 -10.573
  261   3HD2  LEU  35          3HD2      LEU  35   6.321   6.094  -8.803
  262    HA   PRO  36           HA       PRO  36   6.429  10.601  -8.653
  263   1HB   PRO  36          2HB       PRO  36   4.826  12.892  -8.118
  264   2HB   PRO  36          3HB       PRO  36   5.395  12.298  -9.694
  265   1HG   PRO  36          2HG       PRO  36   2.746  11.892  -8.371
  266   2HG   PRO  36          3HG       PRO  36   3.098  12.061 -10.106
  267   1HD   PRO  36          2HD       PRO  36   2.527   9.674  -8.996
  268   2HD   PRO  36          3HD       PRO  36   3.736   9.802 -10.297
  269    H    ASN  37           H        ASN  37   3.882  10.593  -6.128
  270    HA   ASN  37           HA       ASN  37   5.730  11.738  -4.111
  271   1HB   ASN  37          2HB       ASN  37   2.905  10.635  -3.909
  272   2HB   ASN  37          3HB       ASN  37   3.911  10.969  -2.532
  273   1HD2  ASN  37          1HD2      ASN  37   2.126  12.619  -5.104
  274   2HD2  ASN  37          2HD2      ASN  37   2.451  14.234  -4.511
  275    H    LYS  38           H        LYS  38   4.998   8.550  -5.334
  276    HA   LYS  38           HA       LYS  38   5.397   6.504  -4.744
  277   1HB   LYS  38          2HB       LYS  38   7.600   7.589  -2.965
  278   2HB   LYS  38          3HB       LYS  38   7.322   5.926  -3.476
  279   1HG   LYS  38          2HG       LYS  38   9.109   6.637  -4.776
  280   2HG   LYS  38          3HG       LYS  38   7.690   6.527  -5.829
  281   1HD   LYS  38          2HD       LYS  38   9.035   8.408  -6.434
  282   2HD   LYS  38          3HD       LYS  38   7.498   8.965  -5.803
  283   1HE   LYS  38          2HE       LYS  38   8.575   9.481  -3.604
  284   2HE   LYS  38          3HE       LYS  38  10.139   9.021  -4.298
  285   1HZ   LYS  38          1HZ       LYS  38   9.618  11.424  -4.378
  286   2HZ   LYS  38          2HZ       LYS  38   9.883  10.790  -5.879
  287   3HZ   LYS  38          3HZ       LYS  38   8.351  11.107  -5.394
  288    H    LYS  39           H        LYS  39   3.137   6.779  -3.758
  289    HA   LYS  39           HA       LYS  39   3.174   6.056  -0.925
  290   1HB   LYS  39          2HB       LYS  39   1.723   8.439  -2.183
  291   2HB   LYS  39          3HB       LYS  39   1.275   7.741  -0.637
  292   1HG   LYS  39          2HG       LYS  39   3.432   8.366   0.339
  293   2HG   LYS  39          3HG       LYS  39   4.005   8.939  -1.235
  294   1HD   LYS  39          2HD       LYS  39   2.106  10.599  -1.260
  295   2HD   LYS  39          3HD       LYS  39   1.704  10.115   0.387
  296   1HE   LYS  39          2HE       LYS  39   3.721  10.972   1.295
  297   2HE   LYS  39          3HE       LYS  39   4.557  10.987  -0.260
  298   1HZ   LYS  39          1HZ       LYS  39   2.320  12.796   0.359
  299   2HZ   LYS  39          2HZ       LYS  39   3.912  13.181   0.521
  300   3HZ   LYS  39          3HZ       LYS  39   3.315  12.851  -0.960
  301    H    VAL  40           H        VAL  40   1.282   5.033  -0.261
  302    HA   VAL  40           HA       VAL  40  -0.649   4.248  -2.359
  303    HB   VAL  40           HB       VAL  40   0.314   2.498  -0.060
  304   1HG1  VAL  40          1HG1      VAL  40  -1.988   2.151  -0.967
  305   2HG1  VAL  40          2HG1      VAL  40  -1.290   1.899  -2.575
  306   3HG1  VAL  40          3HG1      VAL  40  -0.926   0.756  -1.260
  307   1HG2  VAL  40          1HG2      VAL  40   2.167   2.768  -1.652
  308   2HG2  VAL  40          2HG2      VAL  40   1.483   1.146  -1.676
  309   3HG2  VAL  40          3HG2      VAL  40   1.079   2.298  -2.989
  310    H    CYS  41           H        CYS  41  -2.664   4.963  -1.671
  311    HA   CYS  41           HA       CYS  41  -3.046   5.553   1.251
  312   1HB   CYS  41          2HB       CYS  41  -4.372   6.840  -1.132
  313   2HB   CYS  41          3HB       CYS  41  -4.582   7.282   0.521
  314    HG   CYS  41           HG       CYS  41  -3.218   9.056  -0.955
  315    H    ILE  42           H        ILE  42  -4.034   3.776   2.093
  316    HA   ILE  42           HA       ILE  42  -5.910   2.419   0.288
  317    HB   ILE  42           HB       ILE  42  -4.741   1.288   2.855
  318   1HG1  ILE  42          2HG1      ILE  42  -3.555   1.000   0.077
  319   2HG1  ILE  42          3HG1      ILE  42  -2.871   1.949   1.410
  320   1HG2  ILE  42          1HG2      ILE  42  -6.174   0.109   0.425
  321   2HG2  ILE  42          2HG2      ILE  42  -5.297  -0.909   1.537
  322   3HG2  ILE  42          3HG2      ILE  42  -6.658   0.055   2.113
  323   1HD1  ILE  42          1HD1      ILE  42  -1.657  -0.061   1.136
  324   2HD1  ILE  42          2HD1      ILE  42  -2.411  -0.031   2.708
  325   3HD1  ILE  42          3HD1      ILE  42  -3.079  -1.051   1.410
  326    H    GLU  43           H        GLU  43  -8.027   1.882   0.922
  327    HA   GLU  43           HA       GLU  43  -8.939   2.921   3.544
  328   1HB   GLU  43          2HB       GLU  43  -8.878   4.695   1.705
  329   2HB   GLU  43          3HB       GLU  43 -10.232   3.859   0.944
  330   1HG   GLU  43          2HG       GLU  43 -11.670   4.329   2.809
  331   2HG   GLU  43          3HG       GLU  43 -10.317   4.719   3.872
  332    H    SER  44           H        SER  44  -9.553   0.931   4.283
  333    HA   SER  44           HA       SER  44 -11.890  -0.285   3.098
  334   1HB   SER  44          2HB       SER  44 -10.291  -1.417   1.676
  335   2HB   SER  44          3HB       SER  44  -9.215  -1.738   3.051
  336    HG   SER  44           HG       SER  44 -11.870  -2.794   2.825
  337    H    GLU  45           H        GLU  45 -12.751  -1.833   4.418
  338    HA   GLU  45           HA       GLU  45 -12.667  -1.747   7.215
  339   1HB   GLU  45          2HB       GLU  45 -13.336  -4.254   5.626
  340   2HB   GLU  45          3HB       GLU  45 -14.095  -3.604   7.078
  341   1HG   GLU  45          2HG       GLU  45 -15.714  -3.116   5.540
  342   2HG   GLU  45          3HG       GLU  45 -14.803  -1.620   5.376
  343    H    HIS  46           H        HIS  46 -10.700  -3.497   4.809
  344    HA   HIS  46           HA       HIS  46  -9.405  -5.371   6.558
  345   1HB   HIS  46          2HB       HIS  46  -8.550  -4.004   3.986
  346   2HB   HIS  46          3HB       HIS  46  -7.532  -5.153   4.854
  347    HD1  HIS  46           1HD      HIS  46  -8.534  -7.707   5.110
  348    HD2  HIS  46           2HD      HIS  46 -10.057  -5.129   2.170
  349    HE1  HIS  46           1HE      HIS  46  -9.462  -9.184   3.255
  350    H    SER  47           H        SER  47  -9.033  -4.325   8.477
  351    HA   SER  47           HA       SER  47  -7.917  -1.998   9.176
  352   1HB   SER  47          2HB       SER  47  -8.695  -3.860  10.694
  353   2HB   SER  47          3HB       SER  47  -7.074  -4.571  10.514
  354    HG   SER  47           HG       SER  47  -7.743  -2.016  11.573
  355    H    MET  48           H        MET  48  -6.115  -0.950   9.386
  356    HA   MET  48           HA       MET  48  -3.994  -0.991   7.825
  357   1HB   MET  48          2HB       MET  48  -2.794   0.382   9.357
  358   2HB   MET  48          3HB       MET  48  -4.514   0.759   9.501
  359   1HG   MET  48          2HG       MET  48  -4.559  -0.914  11.424
  360   2HG   MET  48          3HG       MET  48  -2.779  -0.852  11.374
  361   1HE   MET  48          1HE       MET  48  -4.572  -0.338  13.940
  362   2HE   MET  48          2HE       MET  48  -2.795  -0.332  13.926
  363   3HE   MET  48          3HE       MET  48  -3.683   1.031  14.654
  364    H    ASP  49           H        ASP  49  -4.202  -3.014  10.764
  365    HA   ASP  49           HA       ASP  49  -1.470  -3.853  10.755
  366   1HB   ASP  49          2HB       ASP  49  -3.961  -5.244  11.844
  367   2HB   ASP  49          3HB       ASP  49  -2.285  -5.657  12.242
  368    H    THR  50           H        THR  50  -4.389  -5.225   9.286
  369    HA   THR  50           HA       THR  50  -3.126  -7.611   8.196
  370    HB   THR  50           HB       THR  50  -5.712  -6.170   7.425
  371    HG1  THR  50           1HG      THR  50  -5.347  -7.071   9.666
  372   1HG2  THR  50          1HG2      THR  50  -6.376  -8.377   6.540
  373   2HG2  THR  50          2HG2      THR  50  -4.947  -7.752   5.689
  374   3HG2  THR  50          3HG2      THR  50  -4.766  -9.023   6.920
  375    H    LEU  51           H        LEU  51  -3.968  -4.298   7.075
  376    HA   LEU  51           HA       LEU  51  -2.916  -4.591   4.440
  377   1HB   LEU  51          2HB       LEU  51  -2.894  -2.096   6.171
  378   2HB   LEU  51          3HB       LEU  51  -2.506  -2.192   4.467
  379    HG   LEU  51           HG       LEU  51  -5.159  -2.456   5.875
  380   1HD1  LEU  51          1HD1      LEU  51  -5.784  -0.832   4.109
  381   2HD1  LEU  51          2HD1      LEU  51  -4.293  -0.306   4.928
  382   3HD1  LEU  51          3HD1      LEU  51  -4.190  -1.102   3.352
  383   1HD2  LEU  51          1HD2      LEU  51  -5.221  -4.464   4.449
  384   2HD2  LEU  51          2HD2      LEU  51  -6.217  -3.198   3.730
  385   3HD2  LEU  51          3HD2      LEU  51  -4.609  -3.529   3.061
  386    H    LEU  52           H        LEU  52  -1.229  -3.680   7.512
  387    HA   LEU  52           HA       LEU  52   1.212  -3.035   6.319
  388   1HB   LEU  52          2HB       LEU  52   0.294  -3.784   9.038
  389   2HB   LEU  52          3HB       LEU  52   1.897  -4.382   8.639
  390    HG   LEU  52           HG       LEU  52   2.349  -1.889   7.869
  391   1HD1  LEU  52          1HD1      LEU  52  -0.038  -1.151   8.249
  392   2HD1  LEU  52          2HD1      LEU  52   0.137  -1.549   9.964
  393   3HD1  LEU  52          3HD1      LEU  52   1.119  -0.255   9.250
  394   1HD2  LEU  52          1HD2      LEU  52   2.159  -2.802  10.751
  395   2HD2  LEU  52          2HD2      LEU  52   3.518  -3.063   9.630
  396   3HD2  LEU  52          3HD2      LEU  52   3.118  -1.417  10.164
  397    H    ALA  53           H        ALA  53   0.155  -6.168   7.762
  398    HA   ALA  53           HA       ALA  53   2.368  -7.725   7.020
  399   1HB   ALA  53          1HB       ALA  53  -0.568  -8.570   7.152
  400   2HB   ALA  53          2HB       ALA  53   0.834  -9.659   7.209
  401   3HB   ALA  53          3HB       ALA  53   0.561  -8.497   8.522
  402    H    THR  54           H        THR  54  -0.598  -7.046   5.104
  403    HA   THR  54           HA       THR  54   0.091  -8.523   2.811
  404    HB   THR  54           HB       THR  54  -1.510  -5.945   3.146
  405    HG1  THR  54           1HG      THR  54  -2.372  -7.585   4.337
  406   1HG2  THR  54          1HG2      THR  54  -0.919  -6.222   0.807
  407   2HG2  THR  54          2HG2      THR  54  -1.499  -7.906   0.851
  408   3HG2  THR  54          3HG2      THR  54  -2.625  -6.551   1.125
  409    H    LEU  55           H        LEU  55   0.749  -5.041   3.550
  410    HA   LEU  55           HA       LEU  55   1.788  -4.579   0.889
  411   1HB   LEU  55          2HB       LEU  55   1.089  -3.074   3.300
  412   2HB   LEU  55          3HB       LEU  55   2.540  -2.439   2.539
  413    HG   LEU  55           HG       LEU  55  -0.274  -2.562   1.471
  414   1HD1  LEU  55          1HD1      LEU  55   0.404   0.002   1.372
  415   2HD1  LEU  55          2HD1      LEU  55   0.041  -0.741   2.952
  416   3HD1  LEU  55          3HD1      LEU  55   1.704  -0.441   2.436
  417   1HD2  LEU  55          1HD2      LEU  55   1.104  -3.008  -0.465
  418   2HD2  LEU  55          2HD2      LEU  55   0.610  -1.313  -0.479
  419   3HD2  LEU  55          3HD2      LEU  55   2.269  -1.738   0.014
  420    H    LYS  56           H        LYS  56   3.169  -5.410   4.055
  421    HA   LYS  56           HA       LYS  56   5.900  -5.014   3.471
  422   1HB   LYS  56          2HB       LYS  56   4.293  -6.718   5.363
  423   2HB   LYS  56          3HB       LYS  56   5.950  -7.197   5.060
  424   1HG   LYS  56          2HG       LYS  56   5.960  -5.824   6.933
  425   2HG   LYS  56          3HG       LYS  56   6.772  -4.949   5.633
  426   1HD   LYS  56          2HD       LYS  56   4.343  -3.812   5.363
  427   2HD   LYS  56          3HD       LYS  56   4.086  -4.486   6.972
  428   1HE   LYS  56          2HE       LYS  56   4.729  -2.195   7.202
  429   2HE   LYS  56          3HE       LYS  56   6.062  -3.182   7.818
  430   1HZ   LYS  56          1HZ       LYS  56   5.963  -2.146   5.069
  431   2HZ   LYS  56          2HZ       LYS  56   6.608  -1.241   6.225
  432   3HZ   LYS  56          3HZ       LYS  56   7.289  -2.701   5.866
  433    H    LYS  57           H        LYS  57   3.692  -7.457   2.158
  434    HA   LYS  57           HA       LYS  57   5.623  -9.344   1.282
  435   1HB   LYS  57          2HB       LYS  57   3.114  -8.438  -0.145
  436   2HB   LYS  57          3HB       LYS  57   4.053  -9.876  -0.550
  437   1HG   LYS  57          2HG       LYS  57   3.622 -10.837   1.687
  438   2HG   LYS  57          3HG       LYS  57   2.621  -9.461   2.111
  439   1HD   LYS  57          2HD       LYS  57   2.094 -11.560  -0.039
  440   2HD   LYS  57          3HD       LYS  57   1.190 -11.283   1.461
  441   1HE   LYS  57          2HE       LYS  57   0.610  -8.960   0.539
  442   2HE   LYS  57          3HE       LYS  57   1.307  -9.482  -1.003
  443   1HZ   LYS  57          1HZ       LYS  57  -1.054 -10.609   0.323
  444   2HZ   LYS  57          2HZ       LYS  57  -0.998  -9.679  -1.040
  445   3HZ   LYS  57          3HZ       LYS  57  -0.377 -11.207  -1.058
  446    H    THR  58           H        THR  58   5.093  -6.041   0.123
  447    HA   THR  58           HA       THR  58   6.485  -6.324  -2.447
  448    HB   THR  58           HB       THR  58   6.462  -3.996  -2.510
  449    HG1  THR  58           1HG      THR  58   5.589  -3.890   0.197
  450   1HG2  THR  58          1HG2      THR  58   3.942  -4.816  -1.098
  451   2HG2  THR  58          2HG2      THR  58   4.181  -3.388  -2.081
  452   3HG2  THR  58          3HG2      THR  58   4.306  -5.001  -2.828
  453    H    GLY  59           H        GLY  59   7.467  -6.031   0.895
  454   1HA   GLY  59          2HA       GLY  59   9.355  -5.656   1.929
  455   2HA   GLY  59          3HA       GLY  59  10.161  -6.605   0.653
  456    H    LYS  60           H        LYS  60   8.503  -3.473   0.274
  457    HA   LYS  60           HA       LYS  60  11.005  -2.180  -0.687
  458   1HB   LYS  60          2HB       LYS  60   8.171  -1.142  -0.471
  459   2HB   LYS  60          3HB       LYS  60   9.446  -0.389  -1.397
  460   1HG   LYS  60          2HG       LYS  60   8.245  -3.111  -1.974
  461   2HG   LYS  60          3HG       LYS  60   7.838  -1.624  -2.834
  462   1HD   LYS  60          2HD       LYS  60  10.393  -3.267  -2.886
  463   2HD   LYS  60          3HD       LYS  60   9.268  -2.912  -4.203
  464   1HE   LYS  60          2HE       LYS  60   9.830  -0.387  -3.736
  465   2HE   LYS  60          3HE       LYS  60  11.204  -0.981  -2.792
  466   1HZ   LYS  60          1HZ       LYS  60  10.737  -1.225  -5.682
  467   2HZ   LYS  60          2HZ       LYS  60  11.850  -0.347  -4.852
  468   3HZ   LYS  60          3HZ       LYS  60  11.990  -1.998  -4.884
  469    H    THR  61           H        THR  61  10.999   0.304   0.028
  470    HA   THR  61           HA       THR  61  11.141   0.575   2.817
  471    HB   THR  61           HB       THR  61  10.895   2.839   0.905
  472    HG1  THR  61           1HG      THR  61  13.012   2.401   0.192
  473   1HG2  THR  61          1HG2      THR  61  12.890   2.255   3.143
  474   2HG2  THR  61          2HG2      THR  61  12.793   3.757   2.201
  475   3HG2  THR  61          3HG2      THR  61  11.466   3.311   3.290
  476    H    VAL  62           H        VAL  62   8.647  -0.430   2.587
  477    HA   VAL  62           HA       VAL  62   6.651   1.690   2.326
  478    HB   VAL  62           HB       VAL  62   5.932  -0.141   1.282
  479   1HG1  VAL  62          1HG1      VAL  62   5.741  -2.431   2.474
  480   2HG1  VAL  62          2HG1      VAL  62   7.268  -1.939   1.731
  481   3HG1  VAL  62          3HG1      VAL  62   7.078  -1.817   3.482
  482   1HG2  VAL  62          1HG2      VAL  62   4.557  -0.572   3.944
  483   2HG2  VAL  62          2HG2      VAL  62   4.283   0.855   2.922
  484   3HG2  VAL  62          3HG2      VAL  62   3.943  -0.759   2.289
  485    H    SER  63           H        SER  63   6.709   3.095   3.859
  486    HA   SER  63           HA       SER  63   6.618   2.307   6.730
  487   1HB   SER  63          2HB       SER  63   8.288   4.063   5.920
  488   2HB   SER  63          3HB       SER  63   6.894   5.085   5.523
  489    HG   SER  63           HG       SER  63   7.763   4.150   8.053
  490    H    TYR  64           H        TYR  64   4.964   3.420   8.006
  491    HA   TYR  64           HA       TYR  64   2.320   3.421   6.614
  492   1HB   TYR  64          2HB       TYR  64   2.493   1.580   8.091
  493   2HB   TYR  64          3HB       TYR  64   3.315   2.527   9.323
  494    HD1  TYR  64           HD1      TYR  64   2.142   3.540  11.087
  495    HD2  TYR  64           HD2      TYR  64  -0.017   2.241   7.590
  496    HE1  TYR  64           HE1      TYR  64  -0.003   4.042  12.217
  497    HE2  TYR  64           HE2      TYR  64  -2.153   2.698   8.739
  498    HH   TYR  64           HH       TYR  64  -3.112   3.803  10.518
  499    H    LEU  65           H        LEU  65   0.975   5.153   6.897
  500    HA   LEU  65           HA       LEU  65   1.876   7.479   8.535
  501   1HB   LEU  65          2HB       LEU  65   0.242   7.402   6.003
  502   2HB   LEU  65          3HB       LEU  65   0.344   8.768   7.111
  503    HG   LEU  65           HG       LEU  65   2.986   8.398   6.882
  504   1HD1  LEU  65          1HD1      LEU  65   2.903   6.417   5.465
  505   2HD1  LEU  65          2HD1      LEU  65   1.938   7.299   4.252
  506   3HD1  LEU  65          3HD1      LEU  65   3.615   7.782   4.612
  507   1HD2  LEU  65          1HD2      LEU  65   2.971  10.071   5.090
  508   2HD2  LEU  65          2HD2      LEU  65   1.239   9.749   4.807
  509   3HD2  LEU  65          3HD2      LEU  65   1.784  10.419   6.367
  510    H    GLY  66           H        GLY  66  -0.136   8.703   9.372
  511   1HA   GLY  66          2HA       GLY  66  -1.197   7.080  11.335
  512   2HA   GLY  66          3HA       GLY  66  -1.811   8.688  10.923
  513    H    LEU  67           H        LEU  67  -3.382   6.652  11.975
  514    HA   LEU  67           HA       LEU  67  -5.084   5.484   9.911
  515   1HB   LEU  67          2HB       LEU  67  -4.530   4.674  12.362
  516   2HB   LEU  67          3HB       LEU  67  -5.760   5.829  12.859
  517    HG   LEU  67           HG       LEU  67  -6.056   3.416  11.037
  518   1HD1  LEU  67          1HD1      LEU  67  -7.447   2.516  12.838
  519   2HD1  LEU  67          2HD1      LEU  67  -5.846   2.948  13.464
  520   3HD1  LEU  67          3HD1      LEU  67  -7.237   4.009  13.779
  521   1HD2  LEU  67          1HD2      LEU  67  -7.675   4.964  10.166
  522   2HD2  LEU  67          2HD2      LEU  67  -8.571   3.905  11.248
  523   3HD2  LEU  67          3HD2      LEU  67  -8.124   5.531  11.793
  524    H    GLU  68           H        GLU  68  -6.833   6.626   9.009
  525    HA   GLU  68           HA       GLU  68  -7.770   9.125  10.352
  526   1HB   GLU  68          2HB       GLU  68  -6.168   9.585   8.487
  527   2HB   GLU  68          3HB       GLU  68  -7.245   8.749   7.381
  528   1HG   GLU  68          2HG       GLU  68  -7.622  11.095   7.125
  529   2HG   GLU  68          3HG       GLU  68  -9.035  10.473   7.985
  Start of MODEL    8
    1   1H    MET   1           H1       MET   1 -12.038   6.598   6.895
    2   2H    MET   1           H2       MET   1 -11.482   7.724   8.048
    3   3H    MET   1           H3       MET   1 -10.541   6.584   7.628
    4    HA   MET   1           HA       MET   1 -11.775   6.484   9.786
    5   1HB   MET   1          2HB       MET   1 -13.733   5.192   7.869
    6   2HB   MET   1          3HB       MET   1 -13.588   4.695   9.571
    7   1HG   MET   1          2HG       MET   1 -14.074   6.975  10.312
    8   2HG   MET   1          3HG       MET   1 -14.096   7.546   8.639
    9   1HE   MET   1          1HE       MET   1 -15.906   5.334  11.327
   10   2HE   MET   1          2HE       MET   1 -17.367   4.825  10.448
   11   3HE   MET   1          3HE       MET   1 -15.788   4.164   9.985
   12    HA   PRO   2           HA       PRO   2  -9.155   2.812   8.836
   13   1HB   PRO   2          2HB       PRO   2  -9.654   0.858   7.116
   14   2HB   PRO   2          3HB       PRO   2 -10.753   1.077   8.504
   15   1HG   PRO   2          2HG       PRO   2 -11.156   2.086   5.665
   16   2HG   PRO   2          3HG       PRO   2 -12.300   1.163   6.675
   17   1HD   PRO   2          2HD       PRO   2 -12.306   3.913   6.467
   18   2HD   PRO   2          3HD       PRO   2 -12.865   3.024   7.918
   19    H    LYS   3           H        LYS   3  -8.841   5.346   7.497
   20    HA   LYS   3           HA       LYS   3  -8.007   4.769   4.742
   21   1HB   LYS   3          2HB       LYS   3  -9.230   6.924   5.575
   22   2HB   LYS   3          3HB       LYS   3  -7.636   7.401   6.156
   23   1HG   LYS   3          2HG       LYS   3  -7.213   6.501   3.481
   24   2HG   LYS   3          3HG       LYS   3  -8.773   7.320   3.461
   25   1HD   LYS   3          2HD       LYS   3  -7.287   9.010   2.939
   26   2HD   LYS   3          3HD       LYS   3  -7.618   9.291   4.656
   27   1HE   LYS   3          2HE       LYS   3  -5.468   8.088   5.224
   28   2HE   LYS   3          3HE       LYS   3  -5.197   7.806   3.492
   29   1HZ   LYS   3          1HZ       LYS   3  -5.131  10.362   4.927
   30   2HZ   LYS   3          2HZ       LYS   3  -3.947   9.650   4.005
   31   3HZ   LYS   3          3HZ       LYS   3  -5.248  10.291   3.288
   32    H    HIS   4           H        HIS   4  -6.320   3.446   4.936
   33    HA   HIS   4           HA       HIS   4  -4.177   3.958   6.939
   34   1HB   HIS   4          2HB       HIS   4  -4.941   1.543   5.265
   35   2HB   HIS   4          3HB       HIS   4  -3.612   1.574   6.433
   36    HD1  HIS   4           1HD      HIS   4  -6.534  -0.174   6.582
   37    HD2  HIS   4           2HD      HIS   4  -5.291   3.215   8.768
   38    HE1  HIS   4           1HE      HIS   4  -7.891  -0.123   8.736
   39    H    GLU   5           H        GLU   5  -2.682   5.307   6.175
   40    HA   GLU   5           HA       GLU   5  -2.031   5.271   3.283
   41   1HB   GLU   5          2HB       GLU   5  -2.847   7.336   4.365
   42   2HB   GLU   5          3HB       GLU   5  -1.428   7.345   5.415
   43   1HG   GLU   5          2HG       GLU   5   0.059   7.716   3.555
   44   2HG   GLU   5          3HG       GLU   5  -1.189   7.291   2.376
   45    H    PHE   6           H        PHE   6   0.059   5.065   2.560
   46    HA   PHE   6           HA       PHE   6   2.175   4.421   4.520
   47   1HB   PHE   6          2HB       PHE   6   1.521   2.752   2.062
   48   2HB   PHE   6          3HB       PHE   6   2.845   2.475   3.185
   49    HD1  PHE   6           1HD      PHE   6  -0.913   2.532   2.916
   50    HD2  PHE   6           2HD      PHE   6   2.499   1.056   5.122
   51    HE1  PHE   6           1HE      PHE   6  -2.396   1.139   4.298
   52    HE2  PHE   6           2HE      PHE   6   1.023  -0.460   6.352
   53    HZ   PHE   6           HZ       PHE   6  -1.446  -0.374   6.022
   54    H    SER   7           H        SER   7   4.098   5.237   3.958
   55    HA   SER   7           HA       SER   7   4.465   6.630   1.352
   56   1HB   SER   7          2HB       SER   7   5.173   7.860   3.285
   57   2HB   SER   7          3HB       SER   7   6.147   6.505   3.884
   58    HG   SER   7           HG       SER   7   7.388   8.089   2.722
   59    H    VAL   8           H        VAL   8   5.703   5.620  -0.229
   60    HA   VAL   8           HA       VAL   8   6.925   2.974   0.359
   61    HB   VAL   8           HB       VAL   8   4.732   3.398  -1.728
   62   1HG1  VAL   8          1HG1      VAL   8   6.308   0.920  -0.902
   63   2HG1  VAL   8          2HG1      VAL   8   4.899   0.908  -1.976
   64   3HG1  VAL   8          3HG1      VAL   8   6.371   1.736  -2.480
   65   1HG2  VAL   8          1HG2      VAL   8   3.629   3.308   0.405
   66   2HG2  VAL   8          2HG2      VAL   8   3.465   1.704  -0.316
   67   3HG2  VAL   8          3HG2      VAL   8   4.664   1.976   0.953
   68    H    ASP   9           H        ASP   9   8.631   2.530  -0.982
   69    HA   ASP   9           HA       ASP   9   9.702   4.611  -2.663
   70   1HB   ASP   9          2HB       ASP   9  11.249   3.265  -1.508
   71   2HB   ASP   9          3HB       ASP   9  10.518   1.759  -2.072
   72    H    MET  10           H        MET  10   7.677   4.827  -3.960
   73    HA   MET  10           HA       MET  10   7.258   2.856  -6.094
   74   1HB   MET  10          2HB       MET  10   6.164   5.676  -5.774
   75   2HB   MET  10          3HB       MET  10   5.761   4.520  -7.041
   76   1HG   MET  10          2HG       MET  10   5.308   3.954  -4.098
   77   2HG   MET  10          3HG       MET  10   4.107   4.644  -5.208
   78   1HE   MET  10          1HE       MET  10   3.400   2.070  -3.592
   79   2HE   MET  10          2HE       MET  10   2.384   2.958  -4.759
   80   3HE   MET  10          3HE       MET  10   2.556   1.196  -4.896
   81    H    THR  11           H        THR  11   9.659   2.879  -6.442
   82    HA   THR  11           HA       THR  11  10.871   5.216  -7.604
   83    HB   THR  11           HB       THR  11  11.710   2.466  -6.879
   84    HG1  THR  11           1HG      THR  11  12.406   4.113  -5.646
   85   1HG2  THR  11          1HG2      THR  11  12.368   2.277  -9.229
   86   2HG2  THR  11          2HG2      THR  11  13.161   3.877  -9.146
   87   3HG2  THR  11          3HG2      THR  11  13.776   2.519  -8.185
   88    H    CYS  12           HN       CYS  12   9.242   2.371  -9.060
   89    HA   CYS  12           HA       CYS  12   9.050   3.919 -11.538
   90   1HB   CYS  12          2HB       CYS  12   9.846   2.132 -12.958
   91   2HB   CYS  12          3HB       CYS  12  11.108   2.521 -11.796
   92    H    GLY  13           H        GLY  13   7.497   2.815 -13.007
   93   1HA   GLY  13          2HA       GLY  13   4.992   2.244 -11.942
   94   2HA   GLY  13          3HA       GLY  13   5.575   1.690 -13.517
   95    H    GLY  14           H        GLY  14   7.761   0.059 -12.428
   96   1HA   GLY  14          2HA       GLY  14   6.421  -2.391 -12.098
   97   2HA   GLY  14          3HA       GLY  14   8.147  -2.073 -11.791
   98    H    CYS  15           HN       CYS  15   7.716  -0.079  -9.668
   99    HA   CYS  15           HA       CYS  15   7.428  -1.869  -7.402
  100   1HB   CYS  15          2HB       CYS  15   7.440   1.160  -7.604
  101   2HB   CYS  15          3HB       CYS  15   7.474   0.247  -6.096
  102    H    ALA  16           H        ALA  16   5.396   0.629  -8.962
  103    HA   ALA  16           HA       ALA  16   3.141   0.369  -7.239
  104   1HB   ALA  16          1HB       ALA  16   1.865   1.392  -9.073
  105   2HB   ALA  16          2HB       ALA  16   3.397   2.230  -8.751
  106   3HB   ALA  16          3HB       ALA  16   3.236   1.171 -10.170
  107    H    GLU  17           H        GLU  17   3.873  -1.331 -10.351
  108    HA   GLU  17           HA       GLU  17   1.629  -2.940 -10.493
  109   1HB   GLU  17          2HB       GLU  17   3.392  -2.557 -12.172
  110   2HB   GLU  17          3HB       GLU  17   4.539  -3.508 -11.221
  111   1HG   GLU  17          2HG       GLU  17   1.932  -4.662 -12.285
  112   2HG   GLU  17          3HG       GLU  17   3.472  -4.554 -13.164
  113    H    ALA  18           H        ALA  18   4.801  -3.696  -8.892
  114    HA   ALA  18           HA       ALA  18   4.012  -6.192  -7.851
  115   1HB   ALA  18          1HB       ALA  18   6.357  -5.366  -7.889
  116   2HB   ALA  18          2HB       ALA  18   5.946  -4.167  -6.639
  117   3HB   ALA  18          3HB       ALA  18   5.881  -5.898  -6.257
  118    H    VAL  19           H        VAL  19   3.811  -2.946  -6.260
  119    HA   VAL  19           HA       VAL  19   2.713  -3.833  -3.827
  120    HB   VAL  19           HB       VAL  19   2.472  -1.257  -5.432
  121   1HG1  VAL  19          1HG1      VAL  19   1.499  -2.049  -2.701
  122   2HG1  VAL  19          2HG1      VAL  19   1.788  -0.335  -3.139
  123   3HG1  VAL  19          3HG1      VAL  19   0.577  -1.276  -4.025
  124   1HG2  VAL  19          1HG2      VAL  19   4.762  -2.098  -4.336
  125   2HG2  VAL  19          2HG2      VAL  19   4.245  -0.416  -4.185
  126   3HG2  VAL  19          3HG2      VAL  19   4.000  -1.527  -2.843
  127    H    SER  20           H        SER  20   1.152  -2.832  -6.850
  128    HA   SER  20           HA       SER  20  -1.513  -3.066  -5.990
  129   1HB   SER  20          2HB       SER  20  -0.544  -2.052  -8.169
  130   2HB   SER  20          3HB       SER  20  -0.507  -3.672  -8.832
  131    HG   SER  20           HG       SER  20  -2.443  -2.527  -9.338
  132    H    ARG  21           H        ARG  21   0.550  -5.414  -7.687
  133    HA   ARG  21           HA       ARG  21  -1.201  -7.577  -7.725
  134   1HB   ARG  21          2HB       ARG  21   0.465  -8.463  -8.787
  135   2HB   ARG  21          3HB       ARG  21   1.489  -7.110  -8.428
  136   1HG   ARG  21          2HG       ARG  21   2.484  -8.192  -6.533
  137   2HG   ARG  21          3HG       ARG  21   1.322  -9.512  -6.566
  138   1HD   ARG  21          2HD       ARG  21   2.600 -10.670  -7.970
  139   2HD   ARG  21          3HD       ARG  21   2.490  -9.423  -9.188
  140    HE   ARG  21           HE       ARG  21   4.602  -9.775  -7.101
  141   1HH1  ARG  21          2HH2      ARG  21   3.546  -7.855  -9.992
  142   2HH1  ARG  21          1HH2      ARG  21   5.076  -7.384 -10.412
  143   1HH2  ARG  21          2HH1      ARG  21   6.730  -9.031  -7.668
  144   2HH2  ARG  21          1HH1      ARG  21   6.929  -8.030  -9.077
  145    H    VAL  22           H        VAL  22   1.020  -6.601  -5.031
  146    HA   VAL  22           HA       VAL  22   0.577  -8.894  -3.424
  147    HB   VAL  22           HB       VAL  22   1.792  -6.133  -3.285
  148   1HG1  VAL  22          1HG1      VAL  22   2.314  -6.475  -0.900
  149   2HG1  VAL  22          2HG1      VAL  22   0.683  -5.957  -1.355
  150   3HG1  VAL  22          3HG1      VAL  22   0.986  -7.662  -0.859
  151   1HG2  VAL  22          1HG2      VAL  22   3.743  -7.301  -2.618
  152   2HG2  VAL  22          2HG2      VAL  22   2.853  -8.846  -2.508
  153   3HG2  VAL  22          3HG2      VAL  22   3.075  -8.039  -4.084
  154    H    LEU  23           H        LEU  23  -0.787  -5.594  -3.431
  155    HA   LEU  23           HA       LEU  23  -2.713  -6.091  -1.315
  156   1HB   LEU  23          2HB       LEU  23  -2.132  -3.965  -3.368
  157   2HB   LEU  23          3HB       LEU  23  -3.709  -3.928  -2.694
  158    HG   LEU  23           HG       LEU  23  -1.133  -4.030  -1.043
  159   1HD1  LEU  23          1HD1      LEU  23  -2.877  -1.648  -1.786
  160   2HD1  LEU  23          2HD1      LEU  23  -1.401  -1.619  -0.784
  161   3HD1  LEU  23          3HD1      LEU  23  -1.286  -1.991  -2.509
  162   1HD2  LEU  23          1HD2      LEU  23  -3.246  -4.725   0.159
  163   2HD2  LEU  23          2HD2      LEU  23  -2.633  -3.188   0.759
  164   3HD2  LEU  23          3HD2      LEU  23  -3.992  -3.220  -0.398
  165    H    ASN  24           H        ASN  24  -2.798  -6.570  -4.860
  166    HA   ASN  24           HA       ASN  24  -5.621  -7.007  -4.972
  167   1HB   ASN  24          2HB       ASN  24  -4.298  -6.552  -6.981
  168   2HB   ASN  24          3HB       ASN  24  -3.426  -8.080  -6.782
  169   1HD2  ASN  24          1HD2      ASN  24  -6.721  -8.573  -5.846
  170   2HD2  ASN  24          2HD2      ASN  24  -7.215  -9.209  -7.397
  171    H    LYS  25           H        LYS  25  -2.809  -9.155  -4.355
  172    HA   LYS  25           HA       LYS  25  -4.314 -11.505  -3.951
  173   1HB   LYS  25          2HB       LYS  25  -1.646 -10.824  -3.679
  174   2HB   LYS  25          3HB       LYS  25  -2.094 -11.178  -2.007
  175   1HG   LYS  25          2HG       LYS  25  -3.055 -13.356  -2.720
  176   2HG   LYS  25          3HG       LYS  25  -2.655 -12.984  -4.408
  177   1HD   LYS  25          2HD       LYS  25  -0.248 -12.916  -3.844
  178   2HD   LYS  25          3HD       LYS  25  -0.634 -13.339  -2.159
  179   1HE   LYS  25          2HE       LYS  25  -1.682 -15.468  -2.923
  180   2HE   LYS  25          3HE       LYS  25  -1.359 -15.037  -4.609
  181   1HZ   LYS  25          1HZ       LYS  25   0.251 -16.567  -3.775
  182   2HZ   LYS  25          2HZ       LYS  25   0.988 -15.146  -4.135
  183   3HZ   LYS  25          3HZ       LYS  25   0.697 -15.552  -2.564
  184    H    LEU  26           H        LEU  26  -3.927  -8.734  -1.776
  185    HA   LEU  26           HA       LEU  26  -5.451  -9.834   0.424
  186   1HB   LEU  26          2HB       LEU  26  -4.039  -7.559   0.198
  187   2HB   LEU  26          3HB       LEU  26  -5.589  -6.913  -0.324
  188    HG   LEU  26           HG       LEU  26  -5.477  -6.372   1.872
  189   1HD1  LEU  26          1HD1      LEU  26  -7.348  -7.336   2.835
  190   2HD1  LEU  26          2HD1      LEU  26  -7.613  -7.417   1.084
  191   3HD1  LEU  26          3HD1      LEU  26  -7.135  -8.883   1.977
  192   1HD2  LEU  26          1HD2      LEU  26  -3.682  -7.740   2.637
  193   2HD2  LEU  26          2HD2      LEU  26  -5.066  -7.887   3.726
  194   3HD2  LEU  26          3HD2      LEU  26  -4.691  -9.209   2.591
  195    H    GLY  27           H        GLY  27  -6.280  -7.859  -2.441
  196   1HA   GLY  27          2HA       GLY  27  -8.030  -8.134  -3.923
  197   2HA   GLY  27          3HA       GLY  27  -8.720  -9.393  -2.891
  198    H    GLY  28           H        GLY  28  -9.344  -8.331  -0.601
  199   1HA   GLY  28          2HA       GLY  28 -11.618  -6.605  -1.199
  200   2HA   GLY  28          3HA       GLY  28 -11.111  -7.206   0.387
  201    H    VAL  29           H        VAL  29  -9.557  -5.097  -2.095
  202    HA   VAL  29           HA       VAL  29  -9.313  -2.902  -0.103
  203    HB   VAL  29           HB       VAL  29  -6.925  -2.627  -0.729
  204   1HG1  VAL  29          1HG1      VAL  29  -6.002  -4.425   0.646
  205   2HG1  VAL  29          2HG1      VAL  29  -7.527  -3.862   1.374
  206   3HG1  VAL  29          3HG1      VAL  29  -7.471  -5.374   0.440
  207   1HG2  VAL  29          1HG2      VAL  29  -7.112  -4.062  -2.881
  208   2HG2  VAL  29          2HG2      VAL  29  -5.693  -4.316  -1.844
  209   3HG2  VAL  29          3HG2      VAL  29  -7.052  -5.465  -1.821
  210    H    LYS  30           H        LYS  30  -9.006  -0.790  -1.047
  211    HA   LYS  30           HA       LYS  30  -8.235  -0.681  -3.781
  212   1HB   LYS  30          2HB       LYS  30 -10.908   0.449  -2.943
  213   2HB   LYS  30          3HB       LYS  30  -9.898   1.367  -4.056
  214   1HG   LYS  30          2HG       LYS  30 -10.967  -1.429  -4.531
  215   2HG   LYS  30          3HG       LYS  30 -11.495   0.071  -5.252
  216   1HD   LYS  30          2HD       LYS  30 -10.198  -0.447  -6.987
  217   2HD   LYS  30          3HD       LYS  30  -8.912   0.280  -6.049
  218   1HE   LYS  30          2HE       LYS  30  -8.426  -1.910  -7.238
  219   2HE   LYS  30          3HE       LYS  30  -7.935  -1.855  -5.555
  220   1HZ   LYS  30          1HZ       LYS  30  -9.058  -3.908  -6.194
  221   2HZ   LYS  30          2HZ       LYS  30  -9.756  -3.136  -4.934
  222   3HZ   LYS  30          3HZ       LYS  30 -10.466  -3.079  -6.432
  223    H    TYR  31           H        TYR  31  -7.201   1.296  -4.260
  224    HA   TYR  31           HA       TYR  31  -6.454   2.950  -2.044
  225   1HB   TYR  31          2HB       TYR  31  -4.005   2.118  -2.287
  226   2HB   TYR  31          3HB       TYR  31  -5.136   1.087  -1.423
  227    HD1  TYR  31           HD1      TYR  31  -6.096  -0.977  -2.367
  228    HD2  TYR  31           HD2      TYR  31  -2.788   1.119  -4.149
  229    HE1  TYR  31           HE1      TYR  31  -5.820  -2.805  -4.018
  230    HE2  TYR  31           HE2      TYR  31  -2.313  -0.884  -5.549
  231    HH   TYR  31           HH       TYR  31  -4.364  -3.789  -5.549
  232    H    ASP  32           H        ASP  32  -5.213   4.722  -2.725
  233    HA   ASP  32           HA       ASP  32  -4.915   5.024  -5.684
  234   1HB   ASP  32          2HB       ASP  32  -6.213   6.811  -4.460
  235   2HB   ASP  32          3HB       ASP  32  -4.721   7.225  -3.597
  236    H    ILE  33           H        ILE  33  -2.853   5.975  -6.367
  237    HA   ILE  33           HA       ILE  33  -0.551   4.759  -4.886
  238    HB   ILE  33           HB       ILE  33  -1.606   4.309  -7.680
  239   1HG1  ILE  33          2HG1      ILE  33  -0.625   2.256  -5.658
  240   2HG1  ILE  33          3HG1      ILE  33  -2.269   2.908  -5.553
  241   1HG2  ILE  33          1HG2      ILE  33   0.493   2.915  -8.011
  242   2HG2  ILE  33          2HG2      ILE  33   0.709   4.659  -8.070
  243   3HG2  ILE  33          3HG2      ILE  33   1.176   3.766  -6.606
  244   1HD1  ILE  33          1HD1      ILE  33  -1.219   1.363  -7.941
  245   2HD1  ILE  33          2HD1      ILE  33  -2.528   0.926  -6.830
  246   3HD1  ILE  33          3HD1      ILE  33  -2.748   2.279  -7.913
  247    H    ASP  34           H        ASP  34   0.539   6.531  -4.386
  248    HA   ASP  34           HA       ASP  34   0.951   8.765  -6.287
  249   1HB   ASP  34          2HB       ASP  34   1.362   8.202  -3.421
  250   2HB   ASP  34          3HB       ASP  34   2.663   9.155  -4.148
  251    H    LEU  35           H        LEU  35   1.798   7.369  -7.911
  252    HA   LEU  35           HA       LEU  35   4.278   6.023  -7.600
  253   1HB   LEU  35          2HB       LEU  35   2.384   6.649  -9.753
  254   2HB   LEU  35          3HB       LEU  35   4.028   6.914 -10.318
  255    HG   LEU  35           HG       LEU  35   3.190   4.390  -8.872
  256   1HD1  LEU  35          1HD1      LEU  35   1.736   4.575 -10.826
  257   2HD1  LEU  35          2HD1      LEU  35   3.130   4.918 -11.876
  258   3HD1  LEU  35          3HD1      LEU  35   2.956   3.320 -11.127
  259   1HD2  LEU  35          1HD2      LEU  35   5.412   4.808 -10.928
  260   2HD2  LEU  35          2HD2      LEU  35   5.676   4.963  -9.190
  261   3HD2  LEU  35          3HD2      LEU  35   5.178   3.401  -9.874
  262    HA   PRO  36           HA       PRO  36   6.358  10.151  -9.126
  263   1HB   PRO  36          2HB       PRO  36   4.893  12.424  -8.387
  264   2HB   PRO  36          3HB       PRO  36   5.042  11.767 -10.033
  265   1HG   PRO  36          2HG       PRO  36   2.814  11.300  -8.042
  266   2HG   PRO  36          3HG       PRO  36   2.678  11.666  -9.783
  267   1HD   PRO  36          2HD       PRO  36   2.408   9.173  -8.932
  268   2HD   PRO  36          3HD       PRO  36   3.397   9.465 -10.375
  269    H    ASN  37           H        ASN  37   3.988  10.266  -6.428
  270    HA   ASN  37           HA       ASN  37   6.055  11.589  -4.767
  271   1HB   ASN  37          2HB       ASN  37   3.050  11.428  -4.504
  272   2HB   ASN  37          3HB       ASN  37   4.095  12.279  -3.380
  273   1HD2  ASN  37          1HD2      ASN  37   5.466  14.073  -4.227
  274   2HD2  ASN  37          2HD2      ASN  37   4.863  14.971  -5.612
  275    H    LYS  38           H        LYS  38   5.637   8.462  -5.060
  276    HA   LYS  38           HA       LYS  38   6.341   6.749  -3.755
  277   1HB   LYS  38          2HB       LYS  38   7.452   9.109  -2.141
  278   2HB   LYS  38          3HB       LYS  38   7.693   7.465  -1.613
  279   1HG   LYS  38          2HG       LYS  38   9.630   8.379  -2.616
  280   2HG   LYS  38          3HG       LYS  38   9.100   6.890  -3.374
  281   1HD   LYS  38          2HD       LYS  38   8.269   9.523  -4.624
  282   2HD   LYS  38          3HD       LYS  38   9.965   9.017  -4.772
  283   1HE   LYS  38          2HE       LYS  38   9.342   6.846  -5.700
  284   2HE   LYS  38          3HE       LYS  38   7.627   7.224  -5.477
  285   1HZ   LYS  38          1HZ       LYS  38   9.406   8.317  -7.488
  286   2HZ   LYS  38          2HZ       LYS  38   7.922   7.573  -7.600
  287   3HZ   LYS  38          3HZ       LYS  38   8.017   9.106  -7.024
  288    H    LYS  39           H        LYS  39   3.637   6.893  -3.488
  289    HA   LYS  39           HA       LYS  39   3.283   6.313  -0.625
  290   1HB   LYS  39          2HB       LYS  39   2.619   8.929  -1.788
  291   2HB   LYS  39          3HB       LYS  39   1.173   8.122  -1.177
  292   1HG   LYS  39          2HG       LYS  39   2.414   7.867   1.028
  293   2HG   LYS  39          3HG       LYS  39   3.689   8.897   0.319
  294   1HD   LYS  39          2HD       LYS  39   1.809  10.561  -0.254
  295   2HD   LYS  39          3HD       LYS  39   0.722   9.534   0.698
  296   1HE   LYS  39          2HE       LYS  39   2.285   9.846   2.681
  297   2HE   LYS  39          3HE       LYS  39   3.191  11.028   1.708
  298   1HZ   LYS  39          1HZ       LYS  39   1.036  12.246   1.522
  299   2HZ   LYS  39          2HZ       LYS  39   0.381  11.144   2.561
  300   3HZ   LYS  39          3HZ       LYS  39   1.573  12.120   3.085
  301    H    VAL  40           H        VAL  40   1.215   5.478  -0.062
  302    HA   VAL  40           HA       VAL  40  -0.567   4.679  -2.251
  303    HB   VAL  40           HB       VAL  40   0.417   2.825  -0.023
  304   1HG1  VAL  40          1HG1      VAL  40  -0.895   1.122  -1.241
  305   2HG1  VAL  40          2HG1      VAL  40  -1.914   2.489  -0.741
  306   3HG1  VAL  40          3HG1      VAL  40  -1.391   2.353  -2.429
  307   1HG2  VAL  40          1HG2      VAL  40   0.973   2.700  -3.002
  308   2HG2  VAL  40          2HG2      VAL  40   2.178   3.106  -1.752
  309   3HG2  VAL  40          3HG2      VAL  40   1.460   1.493  -1.787
  310    H    CYS  41           H        CYS  41  -2.654   5.191  -1.586
  311    HA   CYS  41           HA       CYS  41  -3.211   5.642   1.356
  312   1HB   CYS  41          2HB       CYS  41  -4.368   6.967  -1.143
  313   2HB   CYS  41          3HB       CYS  41  -5.024   7.160   0.488
  314    HG   CYS  41           HG       CYS  41  -3.010   8.396   1.544
  315    H    ILE  42           H        ILE  42  -4.131   3.766   2.065
  316    HA   ILE  42           HA       ILE  42  -5.874   2.388   0.145
  317    HB   ILE  42           HB       ILE  42  -4.812   1.237   2.752
  318   1HG1  ILE  42          2HG1      ILE  42  -3.530   1.213   0.012
  319   2HG1  ILE  42          3HG1      ILE  42  -2.874   1.895   1.509
  320   1HG2  ILE  42          1HG2      ILE  42  -5.352  -0.935   1.506
  321   2HG2  ILE  42          2HG2      ILE  42  -6.745   0.078   1.839
  322   3HG2  ILE  42          3HG2      ILE  42  -6.044   0.030   0.222
  323   1HD1  ILE  42          1HD1      ILE  42  -3.225  -1.063   1.008
  324   2HD1  ILE  42          2HD1      ILE  42  -1.753  -0.132   0.808
  325   3HD1  ILE  42          3HD1      ILE  42  -2.422  -0.306   2.408
  326    H    GLU  43           H        GLU  43  -8.037   2.108   0.480
  327    HA   GLU  43           HA       GLU  43  -9.140   2.660   3.201
  328   1HB   GLU  43          2HB       GLU  43 -10.189   3.721   0.541
  329   2HB   GLU  43          3HB       GLU  43 -11.211   3.497   1.968
  330   1HG   GLU  43          2HG       GLU  43  -9.675   4.911   3.299
  331   2HG   GLU  43          3HG       GLU  43  -8.760   5.283   1.817
  332    H    SER  44           H        SER  44  -9.694   0.672   3.874
  333    HA   SER  44           HA       SER  44 -12.002  -0.377   2.645
  334   1HB   SER  44          2HB       SER  44 -10.151  -1.593   1.354
  335   2HB   SER  44          3HB       SER  44  -9.727  -2.397   2.872
  336    HG   SER  44           HG       SER  44 -11.250  -3.643   1.730
  337    H    GLU  45           H        GLU  45 -12.867  -2.162   4.107
  338    HA   GLU  45           HA       GLU  45 -12.378  -1.398   6.878
  339   1HB   GLU  45          2HB       GLU  45 -14.223  -3.592   5.854
  340   2HB   GLU  45          3HB       GLU  45 -14.300  -2.703   7.384
  341   1HG   GLU  45          2HG       GLU  45 -14.898  -1.630   4.589
  342   2HG   GLU  45          3HG       GLU  45 -16.013  -1.828   5.939
  343    H    HIS  46           H        HIS  46 -10.024  -2.315   6.113
  344    HA   HIS  46           HA       HIS  46  -9.686  -4.964   7.470
  345   1HB   HIS  46          2HB       HIS  46  -8.262  -3.828   5.031
  346   2HB   HIS  46          3HB       HIS  46  -7.517  -5.028   6.085
  347    HD1  HIS  46           1HD      HIS  46  -8.306  -7.523   5.860
  348    HD2  HIS  46           2HD      HIS  46 -10.307  -4.718   3.462
  349    HE1  HIS  46           1HE      HIS  46  -9.529  -8.846   4.059
  350    H    SER  47           H        SER  47  -8.469  -4.716   9.279
  351    HA   SER  47           HA       SER  47  -7.661  -2.176  10.226
  352   1HB   SER  47          2HB       SER  47  -8.063  -4.337  11.564
  353   2HB   SER  47          3HB       SER  47  -6.389  -4.771  11.151
  354    HG   SER  47           HG       SER  47  -5.738  -3.292  12.564
  355    H    MET  48           H        MET  48  -5.618  -1.216  10.457
  356    HA   MET  48           HA       MET  48  -3.977  -1.264   8.181
  357   1HB   MET  48          2HB       MET  48  -2.287  -0.071   9.474
  358   2HB   MET  48          3HB       MET  48  -3.891   0.653   9.554
  359   1HG   MET  48          2HG       MET  48  -3.090  -1.252  11.716
  360   2HG   MET  48          3HG       MET  48  -2.365   0.354  11.713
  361   1HE   MET  48          1HE       MET  48  -3.373   0.363  14.247
  362   2HE   MET  48          2HE       MET  48  -5.121   0.272  14.580
  363   3HE   MET  48          3HE       MET  48  -4.260  -1.157  13.966
  364    H    ASP  49           H        ASP  49  -3.771  -3.209  11.161
  365    HA   ASP  49           HA       ASP  49  -1.244  -4.325  10.901
  366   1HB   ASP  49          2HB       ASP  49  -3.716  -5.890  11.770
  367   2HB   ASP  49          3HB       ASP  49  -2.056  -6.041  12.354
  368    H    THR  50           H        THR  50  -4.346  -5.512   9.604
  369    HA   THR  50           HA       THR  50  -3.444  -7.813   8.291
  370    HB   THR  50           HB       THR  50  -5.799  -6.093   7.418
  371    HG1  THR  50           1HG      THR  50  -5.561  -7.628   9.786
  372   1HG2  THR  50          1HG2      THR  50  -5.421  -9.106   7.777
  373   2HG2  THR  50          2HG2      THR  50  -6.919  -8.310   7.267
  374   3HG2  THR  50          3HG2      THR  50  -5.477  -8.237   6.229
  375    H    LEU  51           H        LEU  51  -3.781  -4.420   7.193
  376    HA   LEU  51           HA       LEU  51  -3.059  -4.964   4.436
  377   1HB   LEU  51          2HB       LEU  51  -2.915  -2.388   6.068
  378   2HB   LEU  51          3HB       LEU  51  -2.522  -2.557   4.363
  379    HG   LEU  51           HG       LEU  51  -5.219  -2.685   5.739
  380   1HD1  LEU  51          1HD1      LEU  51  -5.712  -1.045   3.936
  381   2HD1  LEU  51          2HD1      LEU  51  -4.219  -0.580   4.793
  382   3HD1  LEU  51          3HD1      LEU  51  -4.110  -1.382   3.224
  383   1HD2  LEU  51          1HD2      LEU  51  -4.619  -3.823   2.965
  384   2HD2  LEU  51          2HD2      LEU  51  -5.327  -4.699   4.348
  385   3HD2  LEU  51          3HD2      LEU  51  -6.235  -3.404   3.565
  386    H    LEU  52           H        LEU  52  -1.230  -3.417   7.106
  387    HA   LEU  52           HA       LEU  52   1.251  -3.158   6.151
  388   1HB   LEU  52          2HB       LEU  52   0.207  -3.891   8.861
  389   2HB   LEU  52          3HB       LEU  52   1.878  -4.290   8.510
  390    HG   LEU  52           HG       LEU  52   2.121  -1.821   7.721
  391   1HD1  LEU  52          1HD1      LEU  52  -0.230  -1.598   9.660
  392   2HD1  LEU  52          2HD1      LEU  52   0.640  -0.259   8.898
  393   3HD1  LEU  52          3HD1      LEU  52  -0.352  -1.343   7.905
  394   1HD2  LEU  52          1HD2      LEU  52   2.692  -1.167  10.019
  395   2HD2  LEU  52          2HD2      LEU  52   1.843  -2.606  10.632
  396   3HD2  LEU  52          3HD2      LEU  52   3.283  -2.789   9.604
  397    H    ALA  53           H        ALA  53   0.128  -6.202   7.750
  398    HA   ALA  53           HA       ALA  53   2.438  -7.703   7.300
  399   1HB   ALA  53          1HB       ALA  53   0.572  -8.390   8.772
  400   2HB   ALA  53          2HB       ALA  53  -0.461  -8.669   7.352
  401   3HB   ALA  53          3HB       ALA  53   0.978  -9.679   7.620
  402    H    THR  54           H        THR  54  -0.247  -7.090   4.990
  403    HA   THR  54           HA       THR  54   0.972  -8.939   3.060
  404    HB   THR  54           HB       THR  54  -1.538  -7.282   3.118
  405    HG1  THR  54           1HG      THR  54  -1.821  -9.159   4.103
  406   1HG2  THR  54          1HG2      THR  54  -0.859  -7.128   0.828
  407   2HG2  THR  54          2HG2      THR  54  -0.376  -8.843   0.775
  408   3HG2  THR  54          3HG2      THR  54  -2.079  -8.405   0.934
  409    H    LEU  55           H        LEU  55   0.688  -5.410   3.521
  410    HA   LEU  55           HA       LEU  55   1.724  -4.788   0.939
  411   1HB   LEU  55          2HB       LEU  55   0.675  -3.434   3.249
  412   2HB   LEU  55          3HB       LEU  55   2.238  -2.695   2.859
  413    HG   LEU  55           HG       LEU  55  -0.321  -2.754   1.303
  414   1HD1  LEU  55          1HD1      LEU  55  -0.055  -0.998   2.933
  415   2HD1  LEU  55          2HD1      LEU  55   1.602  -0.645   2.415
  416   3HD1  LEU  55          3HD1      LEU  55   0.273  -0.244   1.357
  417   1HD2  LEU  55          1HD2      LEU  55   0.918  -1.475  -0.455
  418   2HD2  LEU  55          2HD2      LEU  55   2.442  -2.091   0.239
  419   3HD2  LEU  55          3HD2      LEU  55   1.229  -3.214  -0.441
  420    H    LYS  56           H        LYS  56   3.203  -5.486   4.098
  421    HA   LYS  56           HA       LYS  56   5.891  -4.902   3.673
  422   1HB   LYS  56          2HB       LYS  56   4.244  -6.757   5.344
  423   2HB   LYS  56          3HB       LYS  56   5.839  -7.340   4.999
  424   1HG   LYS  56          2HG       LYS  56   5.908  -6.278   7.016
  425   2HG   LYS  56          3HG       LYS  56   6.883  -5.318   5.908
  426   1HD   LYS  56          2HD       LYS  56   4.087  -4.638   6.982
  427   2HD   LYS  56          3HD       LYS  56   5.621  -4.053   7.610
  428   1HE   LYS  56          2HE       LYS  56   6.123  -3.078   5.337
  429   2HE   LYS  56          3HE       LYS  56   4.428  -3.360   4.890
  430   1HZ   LYS  56          1HZ       LYS  56   3.740  -1.760   6.333
  431   2HZ   LYS  56          2HZ       LYS  56   5.065  -1.859   7.314
  432   3HZ   LYS  56          3HZ       LYS  56   5.184  -1.132   5.854
  433    H    LYS  57           H        LYS  57   3.945  -7.439   2.089
  434    HA   LYS  57           HA       LYS  57   6.145  -9.128   1.392
  435   1HB   LYS  57          2HB       LYS  57   3.454  -8.782   0.036
  436   2HB   LYS  57          3HB       LYS  57   4.571 -10.118  -0.227
  437   1HG   LYS  57          2HG       LYS  57   4.298 -10.982   1.981
  438   2HG   LYS  57          3HG       LYS  57   3.512  -9.513   2.563
  439   1HD   LYS  57          2HD       LYS  57   1.607  -9.907   1.045
  440   2HD   LYS  57          3HD       LYS  57   2.316 -11.440   0.531
  441   1HE   LYS  57          2HE       LYS  57   1.981 -12.474   2.623
  442   2HE   LYS  57          3HE       LYS  57   1.905 -10.957   3.510
  443   1HZ   LYS  57          1HZ       LYS  57  -0.227 -12.060   3.305
  444   2HZ   LYS  57          2HZ       LYS  57  -0.302 -10.559   2.687
  445   3HZ   LYS  57          3HZ       LYS  57  -0.221 -11.860   1.677
  446    H    THR  58           H        THR  58   5.210  -6.007   0.165
  447    HA   THR  58           HA       THR  58   6.564  -6.149  -2.449
  448    HB   THR  58           HB       THR  58   6.325  -3.830  -2.472
  449    HG1  THR  58           1HG      THR  58   5.448  -3.813   0.226
  450   1HG2  THR  58          1HG2      THR  58   3.917  -5.018  -1.077
  451   2HG2  THR  58          2HG2      THR  58   3.953  -3.491  -1.931
  452   3HG2  THR  58          3HG2      THR  58   4.280  -5.015  -2.810
  453    H    GLY  59           H        GLY  59   7.488  -5.673   0.904
  454   1HA   GLY  59          2HA       GLY  59   9.393  -5.344   1.929
  455   2HA   GLY  59          3HA       GLY  59  10.213  -6.227   0.615
  456    H    LYS  60           H        LYS  60   8.433  -3.197   0.240
  457    HA   LYS  60           HA       LYS  60  10.833  -1.725  -0.664
  458   1HB   LYS  60          2HB       LYS  60   7.967  -0.825  -0.208
  459   2HB   LYS  60          3HB       LYS  60   9.166   0.057  -1.126
  460   1HG   LYS  60          2HG       LYS  60   7.953  -2.641  -1.852
  461   2HG   LYS  60          3HG       LYS  60   7.521  -1.101  -2.580
  462   1HD   LYS  60          2HD       LYS  60  10.063  -2.735  -2.886
  463   2HD   LYS  60          3HD       LYS  60   8.882  -2.274  -4.116
  464   1HE   LYS  60          2HE       LYS  60   9.454   0.202  -3.406
  465   2HE   LYS  60          3HE       LYS  60  10.905  -0.481  -2.652
  466   1HZ   LYS  60          1HZ       LYS  60  11.439   0.372  -4.654
  467   2HZ   LYS  60          2HZ       LYS  60  11.518  -1.254  -4.900
  468   3HZ   LYS  60          3HZ       LYS  60  10.259  -0.352  -5.523
  469    H    THR  61           H        THR  61  10.785   0.711   0.338
  470    HA   THR  61           HA       THR  61  10.891   0.644   3.205
  471    HB   THR  61           HB       THR  61  10.656   3.091   1.537
  472    HG1  THR  61           1HG      THR  61  12.933   1.415   1.677
  473   1HG2  THR  61          1HG2      THR  61  11.012   3.362   3.986
  474   2HG2  THR  61          2HG2      THR  61  12.480   2.367   3.880
  475   3HG2  THR  61          3HG2      THR  61  12.409   3.942   3.062
  476    H    VAL  62           H        VAL  62   8.476  -0.439   2.733
  477    HA   VAL  62           HA       VAL  62   6.393   1.538   2.315
  478    HB   VAL  62           HB       VAL  62   5.956  -0.357   1.241
  479   1HG1  VAL  62          1HG1      VAL  62   7.361  -2.055   1.958
  480   2HG1  VAL  62          2HG1      VAL  62   6.885  -1.890   3.656
  481   3HG1  VAL  62          3HG1      VAL  62   5.791  -2.658   2.480
  482   1HG2  VAL  62          1HG2      VAL  62   4.257  -0.830   3.707
  483   2HG2  VAL  62          2HG2      VAL  62   3.986   0.481   2.543
  484   3HG2  VAL  62          3HG2      VAL  62   3.902  -1.206   2.015
  485    H    SER  63           H        SER  63   6.523   2.929   3.862
  486    HA   SER  63           HA       SER  63   6.579   2.147   6.735
  487   1HB   SER  63          2HB       SER  63   7.066   4.852   5.428
  488   2HB   SER  63          3HB       SER  63   7.459   4.369   7.088
  489    HG   SER  63           HG       SER  63   8.560   3.317   4.667
  490    H    TYR  64           H        TYR  64   4.753   2.418   7.973
  491    HA   TYR  64           HA       TYR  64   2.308   3.300   6.675
  492   1HB   TYR  64          2HB       TYR  64   2.377   1.307   8.078
  493   2HB   TYR  64          3HB       TYR  64   2.960   2.251   9.448
  494    HD1  TYR  64           HD1      TYR  64   0.079   2.545   7.001
  495    HD2  TYR  64           HD2      TYR  64   1.343   2.467  11.126
  496    HE1  TYR  64           HE1      TYR  64  -2.247   2.902   7.730
  497    HE2  TYR  64           HE2      TYR  64  -0.999   2.775  11.844
  498    HH   TYR  64           HH       TYR  64  -3.217   2.915  11.161
  499    H    LEU  65           H        LEU  65   1.036   5.055   7.204
  500    HA   LEU  65           HA       LEU  65   2.148   7.184   8.976
  501   1HB   LEU  65          2HB       LEU  65   0.524   7.390   6.445
  502   2HB   LEU  65          3HB       LEU  65   0.732   8.701   7.604
  503    HG   LEU  65           HG       LEU  65   3.335   8.080   7.355
  504   1HD1  LEU  65          1HD1      LEU  65   2.134   7.336   4.655
  505   2HD1  LEU  65          2HD1      LEU  65   3.864   7.515   5.055
  506   3HD1  LEU  65          3HD1      LEU  65   2.921   6.221   5.793
  507   1HD2  LEU  65          1HD2      LEU  65   2.370  10.247   6.995
  508   2HD2  LEU  65          2HD2      LEU  65   3.477   9.848   5.658
  509   3HD2  LEU  65          3HD2      LEU  65   1.711   9.745   5.413
  510    H    GLY  66           H        GLY  66   0.079   8.648   9.580
  511   1HA   GLY  66          2HA       GLY  66  -1.351   7.187  11.511
  512   2HA   GLY  66          3HA       GLY  66  -1.742   8.820  10.945
  513    H    LEU  67           H        LEU  67  -3.564   6.743  11.720
  514    HA   LEU  67           HA       LEU  67  -5.040   5.824   9.374
  515   1HB   LEU  67          2HB       LEU  67  -4.929   4.496  11.373
  516   2HB   LEU  67          3HB       LEU  67  -5.434   5.825  12.408
  517    HG   LEU  67           HG       LEU  67  -7.266   4.813  10.233
  518   1HD1  LEU  67          1HD1      LEU  67  -8.202   3.178  11.822
  519   2HD1  LEU  67          2HD1      LEU  67  -6.491   2.833  11.541
  520   3HD1  LEU  67          3HD1      LEU  67  -6.990   3.638  13.040
  521   1HD2  LEU  67          1HD2      LEU  67  -8.142   6.792  11.378
  522   2HD2  LEU  67          2HD2      LEU  67  -8.989   5.417  12.070
  523   3HD2  LEU  67          3HD2      LEU  67  -7.657   6.154  12.962
  524    H    GLU  68           H        GLU  68  -6.761   6.995   8.478
  525    HA   GLU  68           HA       GLU  68  -7.960   9.223  10.023
  526   1HB   GLU  68          2HB       GLU  68  -7.269   9.386   7.062
  527   2HB   GLU  68          3HB       GLU  68  -8.125  10.592   8.021
  528   1HG   GLU  68          2HG       GLU  68  -6.069  10.924   9.398
  529   2HG   GLU  68          3HG       GLU  68  -5.210   9.745   8.391
  Start of MODEL    9
    1   1H    MET   1           H1       MET   1 -11.215   7.769   7.867
    2   2H    MET   1           H2       MET   1 -12.500   8.577   8.303
    3   3H    MET   1           H3       MET   1 -11.757   7.488   9.363
    4    HA   MET   1           HA       MET   1 -13.738   6.419   8.348
    5   1HB   MET   1          2HB       MET   1 -11.921   6.201   5.911
    6   2HB   MET   1          3HB       MET   1 -13.656   5.832   6.053
    7   1HG   MET   1          2HG       MET   1 -12.319   8.538   5.931
    8   2HG   MET   1          3HG       MET   1 -13.456   7.838   4.787
    9   1HE   MET   1          1HE       MET   1 -14.522  10.340   4.920
   10   2HE   MET   1          2HE       MET   1 -15.164  11.042   6.426
   11   3HE   MET   1          3HE       MET   1 -13.412  10.801   6.235
   12    HA   PRO   2           HA       PRO   2 -10.018   3.537   8.872
   13   1HB   PRO   2          2HB       PRO   2 -10.488   1.120   7.828
   14   2HB   PRO   2          3HB       PRO   2 -11.594   1.799   9.051
   15   1HG   PRO   2          2HG       PRO   2 -12.014   1.633   6.079
   16   2HG   PRO   2          3HG       PRO   2 -13.199   1.432   7.400
   17   1HD   PRO   2          2HD       PRO   2 -12.588   3.775   5.861
   18   2HD   PRO   2          3HD       PRO   2 -13.680   3.694   7.278
   19    H    LYS   3           H        LYS   3  -9.013   5.282   7.413
   20    HA   LYS   3           HA       LYS   3  -8.043   4.177   4.824
   21   1HB   LYS   3          2HB       LYS   3  -9.314   6.268   4.816
   22   2HB   LYS   3          3HB       LYS   3  -7.982   7.032   5.754
   23   1HG   LYS   3          2HG       LYS   3  -6.457   6.904   4.015
   24   2HG   LYS   3          3HG       LYS   3  -7.433   5.749   3.097
   25   1HD   LYS   3          2HD       LYS   3  -7.407   8.125   2.231
   26   2HD   LYS   3          3HD       LYS   3  -8.976   7.362   2.381
   27   1HE   LYS   3          2HE       LYS   3  -7.844   9.326   4.439
   28   2HE   LYS   3          3HE       LYS   3  -8.890   9.764   3.083
   29   1HZ   LYS   3          1HZ       LYS   3  -9.654   8.175   5.436
   30   2HZ   LYS   3          2HZ       LYS   3 -10.285   9.542   4.909
   31   3HZ   LYS   3          3HZ       LYS   3 -10.528   8.119   4.045
   32    H    HIS   4           H        HIS   4  -5.966   3.823   4.573
   33    HA   HIS   4           HA       HIS   4  -4.114   4.232   6.856
   34   1HB   HIS   4          2HB       HIS   4  -4.672   1.751   5.190
   35   2HB   HIS   4          3HB       HIS   4  -3.477   1.851   6.490
   36    HD1  HIS   4           1HD      HIS   4  -6.026   3.563   8.193
   37    HD2  HIS   4           2HD      HIS   4  -5.770  -0.340   6.640
   38    HE1  HIS   4           1HE      HIS   4  -7.686   2.117   9.505
   39    H    GLU   5           H        GLU   5  -2.703   5.645   6.014
   40    HA   GLU   5           HA       GLU   5  -1.970   5.579   3.146
   41   1HB   GLU   5          2HB       GLU   5  -2.508   7.606   5.111
   42   2HB   GLU   5          3HB       GLU   5  -0.834   7.811   4.582
   43   1HG   GLU   5          2HG       GLU   5  -3.016   7.472   2.516
   44   2HG   GLU   5          3HG       GLU   5  -2.978   8.953   3.461
   45    H    PHE   6           H        PHE   6   0.042   5.065   2.475
   46    HA   PHE   6           HA       PHE   6   2.149   4.405   4.493
   47   1HB   PHE   6          2HB       PHE   6   1.314   2.795   2.073
   48   2HB   PHE   6          3HB       PHE   6   2.737   2.484   3.061
   49    HD1  PHE   6           1HD      PHE   6  -1.013   2.570   3.133
   50    HD2  PHE   6           2HD      PHE   6   2.571   1.139   5.087
   51    HE1  PHE   6           1HE      PHE   6  -2.362   1.109   4.572
   52    HE2  PHE   6           2HE      PHE   6   1.235  -0.446   6.357
   53    HZ   PHE   6           HZ       PHE   6  -1.261  -0.430   6.190
   54    H    SER   7           H        SER   7   4.113   5.210   3.986
   55    HA   SER   7           HA       SER   7   4.491   6.444   1.291
   56   1HB   SER   7          2HB       SER   7   5.136   7.815   3.228
   57   2HB   SER   7          3HB       SER   7   6.351   6.598   3.668
   58    HG   SER   7           HG       SER   7   6.100   8.237   1.349
   59    H    VAL   8           H        VAL   8   5.725   5.340  -0.144
   60    HA   VAL   8           HA       VAL   8   6.962   2.725   0.611
   61    HB   VAL   8           HB       VAL   8   4.936   3.242  -1.608
   62   1HG1  VAL   8          1HG1      VAL   8   6.500   1.428  -2.194
   63   2HG1  VAL   8          2HG1      VAL   8   6.251   0.660  -0.614
   64   3HG1  VAL   8          3HG1      VAL   8   4.932   0.737  -1.797
   65   1HG2  VAL   8          1HG2      VAL   8   3.687   3.232   0.472
   66   2HG2  VAL   8          2HG2      VAL   8   3.509   1.602  -0.183
   67   3HG2  VAL   8          3HG2      VAL   8   4.659   1.894   1.122
   68    H    ASP   9           H        ASP   9   8.631   2.071  -0.930
   69    HA   ASP   9           HA       ASP   9   9.760   4.192  -2.622
   70   1HB   ASP   9          2HB       ASP   9  11.393   2.676  -1.887
   71   2HB   ASP   9          3HB       ASP   9  10.373   1.272  -2.205
   72    H    MET  10           H        MET  10   8.486   4.852  -4.229
   73    HA   MET  10           HA       MET  10   7.376   2.807  -6.092
   74   1HB   MET  10          2HB       MET  10   6.294   5.606  -5.798
   75   2HB   MET  10          3HB       MET  10   5.596   4.279  -6.710
   76   1HG   MET  10          2HG       MET  10   5.784   3.919  -3.732
   77   2HG   MET  10          3HG       MET  10   4.629   5.074  -4.376
   78   1HE   MET  10          1HE       MET  10   5.435   1.781  -6.339
   79   2HE   MET  10          2HE       MET  10   5.709   1.320  -4.632
   80   3HE   MET  10          3HE       MET  10   4.324   0.667  -5.534
   81    H    THR  11           H        THR  11  10.052   3.378  -6.247
   82    HA   THR  11           HA       THR  11  10.560   5.741  -7.728
   83    HB   THR  11           HB       THR  11  12.204   3.202  -7.433
   84    HG1  THR  11           1HG      THR  11  11.862   4.194  -5.516
   85   1HG2  THR  11          1HG2      THR  11  13.016   5.973  -8.421
   86   2HG2  THR  11          2HG2      THR  11  14.150   4.714  -7.890
   87   3HG2  THR  11          3HG2      THR  11  13.151   4.444  -9.322
   88    H    CYS  12           HN       CYS  12   9.178   2.733  -8.943
   89    HA   CYS  12           HA       CYS  12   8.971   4.136 -11.482
   90   1HB   CYS  12          2HB       CYS  12   9.763   2.383 -12.898
   91   2HB   CYS  12          3HB       CYS  12  11.040   2.742 -11.744
   92    H    GLY  13           H        GLY  13   7.363   3.141 -12.870
   93   1HA   GLY  13          2HA       GLY  13   4.904   2.484 -11.712
   94   2HA   GLY  13          3HA       GLY  13   5.400   2.085 -13.361
   95    H    GLY  14           H        GLY  14   7.671   0.398 -12.469
   96   1HA   GLY  14          2HA       GLY  14   6.412  -2.114 -12.314
   97   2HA   GLY  14          3HA       GLY  14   8.123  -1.749 -11.952
   98    H    CYS  15           HN       CYS  15   7.657   0.074  -9.729
   99    HA   CYS  15           HA       CYS  15   7.268  -1.868  -7.606
  100   1HB   CYS  15          2HB       CYS  15   7.459   1.151  -7.576
  101   2HB   CYS  15          3HB       CYS  15   7.419   0.117  -6.139
  102    H    ALA  16           H        ALA  16   5.291   0.736  -9.094
  103    HA   ALA  16           HA       ALA  16   3.035   0.509  -7.358
  104   1HB   ALA  16          1HB       ALA  16   3.202   2.371  -8.862
  105   2HB   ALA  16          2HB       ALA  16   3.124   1.310 -10.287
  106   3HB   ALA  16          3HB       ALA  16   1.726   1.451  -9.220
  107    H    GLU  17           H        GLU  17   3.695  -1.189 -10.485
  108    HA   GLU  17           HA       GLU  17   1.492  -2.870 -10.523
  109   1HB   GLU  17          2HB       GLU  17   3.174  -2.429 -12.281
  110   2HB   GLU  17          3HB       GLU  17   4.383  -3.363 -11.394
  111   1HG   GLU  17          2HG       GLU  17   1.739  -4.546 -12.347
  112   2HG   GLU  17          3HG       GLU  17   3.242  -4.420 -13.286
  113    H    ALA  18           H        ALA  18   4.752  -3.502  -9.078
  114    HA   ALA  18           HA       ALA  18   4.198  -6.051  -8.084
  115   1HB   ALA  18          1HB       ALA  18   6.007  -3.929  -6.857
  116   2HB   ALA  18          2HB       ALA  18   6.094  -5.674  -6.555
  117   3HB   ALA  18          3HB       ALA  18   6.462  -5.035  -8.175
  118    H    VAL  19           H        VAL  19   3.779  -2.879  -6.396
  119    HA   VAL  19           HA       VAL  19   2.824  -3.996  -3.973
  120    HB   VAL  19           HB       VAL  19   2.437  -1.291  -5.346
  121   1HG1  VAL  19          1HG1      VAL  19   0.540  -1.572  -3.966
  122   2HG1  VAL  19          2HG1      VAL  19   1.503  -2.421  -2.719
  123   3HG1  VAL  19          3HG1      VAL  19   1.681  -0.654  -2.972
  124   1HG2  VAL  19          1HG2      VAL  19   4.772  -1.850  -4.464
  125   2HG2  VAL  19          2HG2      VAL  19   3.988  -0.467  -3.674
  126   3HG2  VAL  19          3HG2      VAL  19   4.053  -2.007  -2.853
  127    H    SER  20           H        SER  20   1.144  -2.875  -6.933
  128    HA   SER  20           HA       SER  20  -1.461  -3.224  -5.978
  129   1HB   SER  20          2HB       SER  20  -0.688  -2.125  -8.146
  130   2HB   SER  20          3HB       SER  20  -0.579  -3.715  -8.871
  131    HG   SER  20           HG       SER  20  -2.958  -2.882  -7.577
  132    H    ARG  21           H        ARG  21   0.569  -5.445  -7.791
  133    HA   ARG  21           HA       ARG  21  -1.041  -7.708  -7.895
  134   1HB   ARG  21          2HB       ARG  21   0.728  -8.435  -8.960
  135   2HB   ARG  21          3HB       ARG  21   1.717  -7.105  -8.396
  136   1HG   ARG  21          2HG       ARG  21   2.510  -8.358  -6.486
  137   2HG   ARG  21          3HG       ARG  21   1.365  -9.657  -6.783
  138   1HD   ARG  21          2HD       ARG  21   3.043 -10.670  -7.845
  139   2HD   ARG  21          3HD       ARG  21   2.657  -9.642  -9.210
  140    HE   ARG  21           HE       ARG  21   4.833  -9.323  -7.178
  141   1HH1  ARG  21          2HH2      ARG  21   3.445  -7.860 -10.182
  142   2HH1  ARG  21          1HH2      ARG  21   4.911  -7.353 -10.754
  143   1HH2  ARG  21          2HH1      ARG  21   6.839  -8.483  -7.978
  144   2HH2  ARG  21          1HH1      ARG  21   6.856  -7.640  -9.499
  145    H    VAL  22           H        VAL  22   0.982  -6.625  -5.115
  146    HA   VAL  22           HA       VAL  22   0.474  -8.999  -3.543
  147    HB   VAL  22           HB       VAL  22   1.938  -6.377  -3.408
  148   1HG1  VAL  22          1HG1      VAL  22   0.802  -5.981  -1.504
  149   2HG1  VAL  22          2HG1      VAL  22   0.844  -7.695  -0.947
  150   3HG1  VAL  22          3HG1      VAL  22   2.312  -6.708  -0.940
  151   1HG2  VAL  22          1HG2      VAL  22   3.076  -8.401  -4.052
  152   2HG2  VAL  22          2HG2      VAL  22   3.722  -7.685  -2.567
  153   3HG2  VAL  22          3HG2      VAL  22   2.692  -9.137  -2.469
  154    H    LEU  23           H        LEU  23  -0.688  -5.580  -3.437
  155    HA   LEU  23           HA       LEU  23  -2.335  -5.989  -1.207
  156   1HB   LEU  23          2HB       LEU  23  -1.964  -3.882  -3.205
  157   2HB   LEU  23          3HB       LEU  23  -3.621  -3.958  -2.685
  158    HG   LEU  23           HG       LEU  23  -1.258  -3.912  -0.766
  159   1HD1  LEU  23          1HD1      LEU  23  -1.352  -1.895  -2.276
  160   2HD1  LEU  23          2HD1      LEU  23  -3.031  -1.631  -1.746
  161   3HD1  LEU  23          3HD1      LEU  23  -1.685  -1.518  -0.590
  162   1HD2  LEU  23          1HD2      LEU  23  -3.563  -4.771   0.043
  163   2HD2  LEU  23          2HD2      LEU  23  -2.995  -3.321   0.872
  164   3HD2  LEU  23          3HD2      LEU  23  -4.196  -3.196  -0.440
  165    H    ASN  24           H        ASN  24  -2.990  -6.321  -4.712
  166    HA   ASN  24           HA       ASN  24  -5.732  -6.881  -4.717
  167   1HB   ASN  24          2HB       ASN  24  -4.564  -6.761  -6.814
  168   2HB   ASN  24          3HB       ASN  24  -3.417  -8.013  -6.326
  169   1HD2  ASN  24          1HD2      ASN  24  -7.011  -8.017  -6.008
  170   2HD2  ASN  24          2HD2      ASN  24  -7.229  -9.434  -7.011
  171    H    LYS  25           H        LYS  25  -2.996  -9.037  -3.826
  172    HA   LYS  25           HA       LYS  25  -4.589 -11.404  -3.849
  173   1HB   LYS  25          2HB       LYS  25  -1.778 -10.652  -3.346
  174   2HB   LYS  25          3HB       LYS  25  -2.340 -11.868  -2.230
  175   1HG   LYS  25          2HG       LYS  25  -1.451 -12.980  -4.221
  176   2HG   LYS  25          3HG       LYS  25  -3.206 -13.175  -4.248
  177   1HD   LYS  25          2HD       LYS  25  -3.043 -10.847  -5.639
  178   2HD   LYS  25          3HD       LYS  25  -1.406 -11.416  -5.941
  179   1HE   LYS  25          2HE       LYS  25  -2.290 -13.437  -7.029
  180   2HE   LYS  25          3HE       LYS  25  -3.939 -13.042  -6.502
  181   1HZ   LYS  25          1HZ       LYS  25  -2.362 -11.425  -8.386
  182   2HZ   LYS  25          2HZ       LYS  25  -3.617 -12.416  -8.774
  183   3HZ   LYS  25          3HZ       LYS  25  -3.878 -11.074  -7.859
  184    H    LEU  26           H        LEU  26  -3.918  -9.077  -1.311
  185    HA   LEU  26           HA       LEU  26  -5.133 -10.416   0.905
  186   1HB   LEU  26          2HB       LEU  26  -3.972  -8.419   1.231
  187   2HB   LEU  26          3HB       LEU  26  -4.901  -7.535   0.044
  188    HG   LEU  26           HG       LEU  26  -5.353  -6.640   2.076
  189   1HD1  LEU  26          1HD1      LEU  26  -7.665  -6.561   2.168
  190   2HD1  LEU  26          2HD1      LEU  26  -7.310  -6.960   0.471
  191   3HD1  LEU  26          3HD1      LEU  26  -7.900  -8.199   1.601
  192   1HD2  LEU  26          1HD2      LEU  26  -6.317  -7.743   3.964
  193   2HD2  LEU  26          2HD2      LEU  26  -6.342  -9.315   3.114
  194   3HD2  LEU  26          3HD2      LEU  26  -4.792  -8.547   3.538
  195    H    GLY  27           H        GLY  27  -6.560  -8.601  -1.846
  196   1HA   GLY  27          2HA       GLY  27  -8.538  -9.462  -2.859
  197   2HA   GLY  27          3HA       GLY  27  -9.201  -9.886  -1.285
  198    H    GLY  28           H        GLY  28 -10.011  -8.265   0.131
  199   1HA   GLY  28          2HA       GLY  28 -11.661  -6.538  -1.473
  200   2HA   GLY  28          3HA       GLY  28 -11.767  -6.824   0.267
  201    H    VAL  29           H        VAL  29  -9.133  -5.454  -1.716
  202    HA   VAL  29           HA       VAL  29  -9.112  -3.010   0.041
  203    HB   VAL  29           HB       VAL  29  -6.832  -2.676  -0.961
  204   1HG1  VAL  29          1HG1      VAL  29  -5.997  -4.927   0.339
  205   2HG1  VAL  29          2HG1      VAL  29  -6.535  -3.433   1.143
  206   3HG1  VAL  29          3HG1      VAL  29  -7.656  -4.778   0.945
  207   1HG2  VAL  29          1HG2      VAL  29  -5.689  -4.409  -2.063
  208   2HG2  VAL  29          2HG2      VAL  29  -6.992  -5.590  -1.815
  209   3HG2  VAL  29          3HG2      VAL  29  -7.208  -4.249  -2.953
  210    H    LYS  30           H        LYS  30  -8.997  -0.916  -0.880
  211    HA   LYS  30           HA       LYS  30  -8.426  -0.800  -3.641
  212   1HB   LYS  30          2HB       LYS  30 -11.070   0.234  -2.692
  213   2HB   LYS  30          3HB       LYS  30 -10.117   1.386  -3.632
  214   1HG   LYS  30          2HG       LYS  30 -10.700  -1.434  -4.548
  215   2HG   LYS  30          3HG       LYS  30 -11.663  -0.022  -5.003
  216   1HD   LYS  30          2HD       LYS  30  -9.961   0.910  -6.362
  217   2HD   LYS  30          3HD       LYS  30  -8.651   0.079  -5.563
  218   1HE   LYS  30          2HE       LYS  30  -8.973  -0.921  -7.725
  219   2HE   LYS  30          3HE       LYS  30  -9.325  -2.088  -6.441
  220   1HZ   LYS  30          1HZ       LYS  30 -10.962  -2.156  -8.198
  221   2HZ   LYS  30          2HZ       LYS  30 -11.666  -1.679  -6.792
  222   3HZ   LYS  30          3HZ       LYS  30 -11.348  -0.573  -7.971
  223    H    TYR  31           H        TYR  31  -7.339   1.146  -4.165
  224    HA   TYR  31           HA       TYR  31  -6.413   2.754  -1.994
  225   1HB   TYR  31          2HB       TYR  31  -4.014   1.876  -2.369
  226   2HB   TYR  31          3HB       TYR  31  -5.096   0.813  -1.493
  227    HD1  TYR  31           HD1      TYR  31  -2.779   0.905  -4.178
  228    HD2  TYR  31           HD2      TYR  31  -6.214  -1.156  -2.622
  229    HE1  TYR  31           HE1      TYR  31  -2.289  -1.064  -5.615
  230    HE2  TYR  31           HE2      TYR  31  -5.907  -2.953  -4.290
  231    HH   TYR  31           HH       TYR  31  -4.498  -3.844  -5.884
  232    H    ASP  32           H        ASP  32  -4.945   4.364  -2.733
  233    HA   ASP  32           HA       ASP  32  -4.830   4.734  -5.683
  234   1HB   ASP  32          2HB       ASP  32  -6.091   6.533  -4.205
  235   2HB   ASP  32          3HB       ASP  32  -4.463   7.014  -3.719
  236    H    ILE  33           H        ILE  33  -2.733   5.835  -6.269
  237    HA   ILE  33           HA       ILE  33  -0.429   4.778  -4.679
  238    HB   ILE  33           HB       ILE  33  -1.305   4.185  -7.516
  239   1HG1  ILE  33          2HG1      ILE  33  -0.240   2.098  -5.630
  240   2HG1  ILE  33          3HG1      ILE  33  -1.848   2.723  -5.280
  241   1HG2  ILE  33          1HG2      ILE  33   0.907   2.950  -7.687
  242   2HG2  ILE  33          2HG2      ILE  33   0.987   4.711  -7.760
  243   3HG2  ILE  33          3HG2      ILE  33   1.426   3.871  -6.253
  244   1HD1  ILE  33          1HD1      ILE  33  -1.131   1.639  -8.025
  245   2HD1  ILE  33          2HD1      ILE  33  -1.996   0.745  -6.771
  246   3HD1  ILE  33          3HD1      ILE  33  -2.730   2.188  -7.453
  247    H    ASP  34           H        ASP  34   0.599   6.687  -4.269
  248    HA   ASP  34           HA       ASP  34   0.799   8.723  -6.434
  249   1HB   ASP  34          2HB       ASP  34   2.178   8.850  -3.763
  250   2HB   ASP  34          3HB       ASP  34   1.950  10.072  -5.005
  251    H    LEU  35           H        LEU  35   2.079   7.689  -7.973
  252    HA   LEU  35           HA       LEU  35   4.556   6.334  -7.313
  253   1HB   LEU  35          2HB       LEU  35   3.220   7.347  -9.798
  254   2HB   LEU  35          3HB       LEU  35   4.971   7.165  -9.843
  255    HG   LEU  35           HG       LEU  35   3.311   4.888  -8.749
  256   1HD1  LEU  35          1HD1      LEU  35   2.135   5.443 -10.832
  257   2HD1  LEU  35          2HD1      LEU  35   3.675   5.437 -11.725
  258   3HD1  LEU  35          3HD1      LEU  35   3.051   3.934 -11.016
  259   1HD2  LEU  35          1HD2      LEU  35   5.767   4.867 -10.569
  260   2HD2  LEU  35          2HD2      LEU  35   5.863   4.888  -8.808
  261   3HD2  LEU  35          3HD2      LEU  35   5.119   3.509  -9.634
  262    HA   PRO  36           HA       PRO  36   6.704  10.509  -8.354
  263   1HB   PRO  36          2HB       PRO  36   5.211  12.853  -8.199
  264   2HB   PRO  36          3HB       PRO  36   5.581  11.960  -9.699
  265   1HG   PRO  36          2HG       PRO  36   3.085  11.765  -7.995
  266   2HG   PRO  36          3HG       PRO  36   3.188  11.957  -9.770
  267   1HD   PRO  36          2HD       PRO  36   2.765   9.561  -8.722
  268   2HD   PRO  36          3HD       PRO  36   3.956   9.704 -10.042
  269    H    ASN  37           H        ASN  37   4.040  10.434  -5.986
  270    HA   ASN  37           HA       ASN  37   5.804  11.848  -4.015
  271   1HB   ASN  37          2HB       ASN  37   2.901  11.198  -3.536
  272   2HB   ASN  37          3HB       ASN  37   3.946  12.250  -2.643
  273   1HD2  ASN  37          1HD2      ASN  37   4.907  14.189  -3.893
  274   2HD2  ASN  37          2HD2      ASN  37   3.834  14.936  -5.065
  275    H    LYS  38           H        LYS  38   5.679   8.787  -5.003
  276    HA   LYS  38           HA       LYS  38   6.107   6.781  -4.036
  277   1HB   LYS  38          2HB       LYS  38   8.084   6.835  -2.757
  278   2HB   LYS  38          3HB       LYS  38   8.170   8.091  -3.949
  279   1HG   LYS  38          2HG       LYS  38   8.000   9.833  -2.437
  280   2HG   LYS  38          3HG       LYS  38   7.224   8.892  -1.184
  281   1HD   LYS  38          2HD       LYS  38  10.144   8.786  -2.001
  282   2HD   LYS  38          3HD       LYS  38   9.458   9.404  -0.498
  283   1HE   LYS  38          2HE       LYS  38   9.846   6.538  -1.386
  284   2HE   LYS  38          3HE       LYS  38  10.326   7.310   0.122
  285   1HZ   LYS  38          1HZ       LYS  38   8.482   5.822   0.420
  286   2HZ   LYS  38          2HZ       LYS  38   7.929   7.326   0.752
  287   3HZ   LYS  38          3HZ       LYS  38   7.560   6.593  -0.676
  288    H    LYS  39           H        LYS  39   3.620   7.001  -3.349
  289    HA   LYS  39           HA       LYS  39   3.490   6.062  -0.583
  290   1HB   LYS  39          2HB       LYS  39   2.083   8.483  -1.740
  291   2HB   LYS  39          3HB       LYS  39   1.439   7.636  -0.373
  292   1HG   LYS  39          2HG       LYS  39   3.098   8.429   1.087
  293   2HG   LYS  39          3HG       LYS  39   4.235   8.714  -0.241
  294   1HD   LYS  39          2HD       LYS  39   3.594  10.854   0.402
  295   2HD   LYS  39          3HD       LYS  39   2.753  10.545  -1.110
  296   1HE   LYS  39          2HE       LYS  39   1.542  10.425   1.700
  297   2HE   LYS  39          3HE       LYS  39   1.327  11.716   0.509
  298   1HZ   LYS  39          1HZ       LYS  39   0.203  10.014  -0.929
  299   2HZ   LYS  39          2HZ       LYS  39   0.278   8.978   0.391
  300   3HZ   LYS  39          3HZ       LYS  39  -0.524  10.307   0.571
  301    H    VAL  40           H        VAL  40   1.360   5.169  -0.081
  302    HA   VAL  40           HA       VAL  40  -0.366   4.436  -2.340
  303    HB   VAL  40           HB       VAL  40   0.656   2.505  -0.197
  304   1HG1  VAL  40          1HG1      VAL  40  -1.618   2.065  -1.029
  305   2HG1  VAL  40          2HG1      VAL  40  -1.024   2.097  -2.703
  306   3HG1  VAL  40          3HG1      VAL  40  -0.488   0.815  -1.587
  307   1HG2  VAL  40          1HG2      VAL  40   1.418   2.682  -3.130
  308   2HG2  VAL  40          2HG2      VAL  40   2.482   3.012  -1.735
  309   3HG2  VAL  40          3HG2      VAL  40   1.874   1.380  -1.998
  310    H    CYS  41           H        CYS  41  -2.426   4.987  -1.696
  311    HA   CYS  41           HA       CYS  41  -2.978   5.408   1.219
  312   1HB   CYS  41          2HB       CYS  41  -4.519   6.666  -1.069
  313   2HB   CYS  41          3HB       CYS  41  -4.446   7.108   0.607
  314    HG   CYS  41           HG       CYS  41  -1.710   7.588   0.294
  315    H    ILE  42           H        ILE  42  -3.999   3.620   1.991
  316    HA   ILE  42           HA       ILE  42  -5.792   2.274   0.083
  317    HB   ILE  42           HB       ILE  42  -4.739   1.144   2.696
  318   1HG1  ILE  42          2HG1      ILE  42  -3.416   0.897  -0.032
  319   2HG1  ILE  42          3HG1      ILE  42  -2.799   1.803   1.357
  320   1HG2  ILE  42          1HG2      ILE  42  -6.640  -0.066   1.856
  321   2HG2  ILE  42          2HG2      ILE  42  -6.054  -0.035   0.199
  322   3HG2  ILE  42          3HG2      ILE  42  -5.260  -1.054   1.366
  323   1HD1  ILE  42          1HD1      ILE  42  -1.587  -0.218   1.117
  324   2HD1  ILE  42          2HD1      ILE  42  -2.426  -0.202   2.642
  325   3HD1  ILE  42          3HD1      ILE  42  -3.039  -1.189   1.299
  326    H    GLU  43           H        GLU  43  -8.026   1.938   0.596
  327    HA   GLU  43           HA       GLU  43  -8.891   2.835   3.297
  328   1HB   GLU  43          2HB       GLU  43  -9.073   4.751   1.619
  329   2HB   GLU  43          3HB       GLU  43 -10.320   3.815   0.798
  330   1HG   GLU  43          2HG       GLU  43 -11.751   3.894   2.758
  331   2HG   GLU  43          3HG       GLU  43 -10.444   4.525   3.768
  332    H    SER  44           H        SER  44  -9.617   0.952   4.109
  333    HA   SER  44           HA       SER  44 -11.966  -0.154   2.993
  334   1HB   SER  44          2HB       SER  44 -10.346  -1.360   1.517
  335   2HB   SER  44          3HB       SER  44  -9.561  -2.035   2.963
  336    HG   SER  44           HG       SER  44 -11.340  -3.304   1.883
  337    H    GLU  45           H        GLU  45 -12.562  -2.155   4.330
  338    HA   GLU  45           HA       GLU  45 -12.506  -1.392   7.121
  339   1HB   GLU  45          2HB       GLU  45 -13.489  -3.968   5.795
  340   2HB   GLU  45          3HB       GLU  45 -13.861  -3.425   7.437
  341   1HG   GLU  45          2HG       GLU  45 -14.985  -1.402   6.500
  342   2HG   GLU  45          3HG       GLU  45 -14.684  -2.001   4.857
  343    H    HIS  46           H        HIS  46 -10.668  -3.597   5.086
  344    HA   HIS  46           HA       HIS  46  -9.526  -5.334   7.000
  345   1HB   HIS  46          2HB       HIS  46  -8.415  -4.152   4.432
  346   2HB   HIS  46          3HB       HIS  46  -7.551  -5.348   5.398
  347    HD1  HIS  46           1HD      HIS  46  -8.348  -7.859   5.243
  348    HD2  HIS  46           2HD      HIS  46 -10.554  -5.057   3.023
  349    HE1  HIS  46           1HE      HIS  46  -9.675  -9.180   3.520
  350    H    SER  47           H        SER  47  -8.417  -4.861   8.775
  351    HA   SER  47           HA       SER  47  -7.707  -2.332   9.621
  352   1HB   SER  47          2HB       SER  47  -7.982  -4.250  11.129
  353   2HB   SER  47          3HB       SER  47  -6.522  -5.015  10.460
  354    HG   SER  47           HG       SER  47  -6.145  -3.868  12.433
  355    H    MET  48           H        MET  48  -5.800  -1.217   9.920
  356    HA   MET  48           HA       MET  48  -3.816  -1.147   7.983
  357   1HB   MET  48          2HB       MET  48  -2.596   0.323   9.383
  358   2HB   MET  48          3HB       MET  48  -4.318   0.642   9.627
  359   1HG   MET  48          2HG       MET  48  -4.155  -0.977  11.607
  360   2HG   MET  48          3HG       MET  48  -2.389  -0.812  11.441
  361   1HE   MET  48          1HE       MET  48  -2.236  -0.100  13.972
  362   2HE   MET  48          2HE       MET  48  -3.189   1.225  14.681
  363   3HE   MET  48          3HE       MET  48  -4.005  -0.255  14.127
  364    H    ASP  49           H        ASP  49  -3.991  -3.176  10.888
  365    HA   ASP  49           HA       ASP  49  -1.387  -4.354  10.918
  366   1HB   ASP  49          2HB       ASP  49  -2.742  -5.050  12.702
  367   2HB   ASP  49          3HB       ASP  49  -4.202  -5.141  11.712
  368    H    THR  50           H        THR  50  -4.338  -5.579   9.351
  369    HA   THR  50           HA       THR  50  -3.059  -7.689   8.090
  370    HB   THR  50           HB       THR  50  -5.656  -6.448   7.131
  371    HG1  THR  50           1HG      THR  50  -5.027  -7.439   9.710
  372   1HG2  THR  50          1HG2      THR  50  -4.894  -8.616   6.144
  373   2HG2  THR  50          2HG2      THR  50  -4.843  -9.321   7.776
  374   3HG2  THR  50          3HG2      THR  50  -6.391  -8.795   7.087
  375    H    LEU  51           H        LEU  51  -3.944  -4.426   6.935
  376    HA   LEU  51           HA       LEU  51  -2.975  -4.694   4.254
  377   1HB   LEU  51          2HB       LEU  51  -3.003  -2.279   6.112
  378   2HB   LEU  51          3HB       LEU  51  -2.567  -2.266   4.412
  379    HG   LEU  51           HG       LEU  51  -5.276  -2.588   5.718
  380   1HD1  LEU  51          1HD1      LEU  51  -4.248  -1.246   3.215
  381   2HD1  LEU  51          2HD1      LEU  51  -5.834  -0.941   3.974
  382   3HD1  LEU  51          3HD1      LEU  51  -4.322  -0.447   4.783
  383   1HD2  LEU  51          1HD2      LEU  51  -5.293  -4.595   4.304
  384   2HD2  LEU  51          2HD2      LEU  51  -6.274  -3.326   3.569
  385   3HD2  LEU  51          3HD2      LEU  51  -4.655  -3.660   2.927
  386    H    LEU  52           H        LEU  52  -1.261  -3.684   7.295
  387    HA   LEU  52           HA       LEU  52   1.206  -3.151   6.120
  388   1HB   LEU  52          2HB       LEU  52   0.252  -3.811   8.847
  389   2HB   LEU  52          3HB       LEU  52   1.809  -4.498   8.475
  390    HG   LEU  52           HG       LEU  52   2.384  -2.028   7.657
  391   1HD1  LEU  52          1HD1      LEU  52   0.202  -1.577   9.765
  392   2HD1  LEU  52          2HD1      LEU  52   1.204  -0.332   9.006
  393   3HD1  LEU  52          3HD1      LEU  52   0.006  -1.219   8.043
  394   1HD2  LEU  52          1HD2      LEU  52   3.181  -1.574   9.941
  395   2HD2  LEU  52          2HD2      LEU  52   2.129  -2.874  10.558
  396   3HD2  LEU  52          3HD2      LEU  52   3.471  -3.261   9.458
  397    H    ALA  53           H        ALA  53   0.032  -6.222   7.577
  398    HA   ALA  53           HA       ALA  53   2.277  -7.802   6.949
  399   1HB   ALA  53          1HB       ALA  53   0.494  -8.429   8.564
  400   2HB   ALA  53          2HB       ALA  53  -0.647  -8.658   7.222
  401   3HB   ALA  53          3HB       ALA  53   0.770  -9.720   7.377
  402    H    THR  54           H        THR  54  -0.525  -6.982   4.894
  403    HA   THR  54           HA       THR  54   0.196  -8.736   2.724
  404    HB   THR  54           HB       THR  54  -1.454  -6.170   2.825
  405    HG1  THR  54           1HG      THR  54  -2.315  -7.734   4.146
  406   1HG2  THR  54          1HG2      THR  54  -2.456  -6.944   0.805
  407   2HG2  THR  54          2HG2      THR  54  -0.729  -6.731   0.546
  408   3HG2  THR  54          3HG2      THR  54  -1.393  -8.375   0.749
  409    H    LEU  55           H        LEU  55   0.719  -5.235   3.377
  410    HA   LEU  55           HA       LEU  55   1.826  -4.741   0.768
  411   1HB   LEU  55          2HB       LEU  55   1.190  -3.267   3.244
  412   2HB   LEU  55          3HB       LEU  55   2.596  -2.621   2.391
  413    HG   LEU  55           HG       LEU  55  -0.246  -2.710   1.436
  414   1HD1  LEU  55          1HD1      LEU  55   0.129  -0.915   2.951
  415   2HD1  LEU  55          2HD1      LEU  55   1.783  -0.628   2.395
  416   3HD1  LEU  55          3HD1      LEU  55   0.463  -0.148   1.378
  417   1HD2  LEU  55          1HD2      LEU  55   1.112  -3.126  -0.534
  418   2HD2  LEU  55          2HD2      LEU  55   0.622  -1.430  -0.510
  419   3HD2  LEU  55          3HD2      LEU  55   2.283  -1.868  -0.047
  420    H    LYS  56           H        LYS  56   3.216  -5.388   3.985
  421    HA   LYS  56           HA       LYS  56   5.927  -4.963   3.486
  422   1HB   LYS  56          2HB       LYS  56   4.290  -6.634   5.355
  423   2HB   LYS  56          3HB       LYS  56   5.913  -7.205   5.093
  424   1HG   LYS  56          2HG       LYS  56   5.892  -5.770   6.964
  425   2HG   LYS  56          3HG       LYS  56   6.878  -5.050   5.673
  426   1HD   LYS  56          2HD       LYS  56   4.767  -3.633   5.107
  427   2HD   LYS  56          3HD       LYS  56   4.104  -4.196   6.638
  428   1HE   LYS  56          2HE       LYS  56   6.684  -2.596   6.209
  429   2HE   LYS  56          3HE       LYS  56   5.160  -1.967   6.839
  430   1HZ   LYS  56          1HZ       LYS  56   6.876  -3.978   8.143
  431   2HZ   LYS  56          2HZ       LYS  56   6.717  -2.403   8.577
  432   3HZ   LYS  56          3HZ       LYS  56   5.444  -3.428   8.745
  433    H    LYS  57           H        LYS  57   3.922  -7.560   2.128
  434    HA   LYS  57           HA       LYS  57   6.120  -9.332   1.589
  435   1HB   LYS  57          2HB       LYS  57   3.484  -9.128   0.095
  436   2HB   LYS  57          3HB       LYS  57   4.626 -10.483   0.087
  437   1HG   LYS  57          2HG       LYS  57   4.319 -10.618   2.622
  438   2HG   LYS  57          3HG       LYS  57   2.986  -9.466   2.430
  439   1HD   LYS  57          2HD       LYS  57   2.101 -11.169   0.625
  440   2HD   LYS  57          3HD       LYS  57   3.199 -12.308   1.404
  441   1HE   LYS  57          2HE       LYS  57   0.689 -10.977   2.465
  442   2HE   LYS  57          3HE       LYS  57   1.127 -12.686   2.472
  443   1HZ   LYS  57          1HZ       LYS  57   2.827 -12.071   4.168
  444   2HZ   LYS  57          2HZ       LYS  57   2.184 -10.543   4.206
  445   3HZ   LYS  57          3HZ       LYS  57   1.273 -11.824   4.654
  446    H    THR  58           H        THR  58   5.284  -6.309   0.123
  447    HA   THR  58           HA       THR  58   6.620  -6.694  -2.473
  448    HB   THR  58           HB       THR  58   6.422  -4.372  -2.670
  449    HG1  THR  58           1HG      THR  58   5.533  -4.162   0.021
  450   1HG2  THR  58          1HG2      THR  58   4.014  -5.491  -1.238
  451   2HG2  THR  58          2HG2      THR  58   4.042  -3.959  -2.064
  452   3HG2  THR  58          3HG2      THR  58   4.347  -5.459  -2.981
  453    H    GLY  59           H        GLY  59   7.611  -6.130   0.828
  454   1HA   GLY  59          2HA       GLY  59   9.476  -5.639   1.819
  455   2HA   GLY  59          3HA       GLY  59  10.339  -6.562   0.560
  456    H    LYS  60           H        LYS  60   8.455  -3.579   0.069
  457    HA   LYS  60           HA       LYS  60  10.813  -2.144  -0.977
  458   1HB   LYS  60          2HB       LYS  60   7.971  -1.221  -0.448
  459   2HB   LYS  60          3HB       LYS  60   9.128  -0.366  -1.437
  460   1HG   LYS  60          2HG       LYS  60   7.928  -3.072  -2.048
  461   2HG   LYS  60          3HG       LYS  60   7.483  -1.556  -2.829
  462   1HD   LYS  60          2HD       LYS  60  10.000  -3.234  -3.100
  463   2HD   LYS  60          3HD       LYS  60   8.814  -2.808  -4.336
  464   1HE   LYS  60          2HE       LYS  60   9.443  -0.310  -3.826
  465   2HE   LYS  60          3HE       LYS  60  10.838  -0.957  -2.949
  466   1HZ   LYS  60          1HZ       LYS  60  10.316  -0.968  -5.825
  467   2HZ   LYS  60          2HZ       LYS  60  11.521  -0.322  -4.939
  468   3HZ   LYS  60          3HZ       LYS  60  11.480  -1.966  -5.134
  469    H    THR  61           H        THR  61  10.954   0.266  -0.153
  470    HA   THR  61           HA       THR  61  11.118   0.393   2.712
  471    HB   THR  61           HB       THR  61  11.110   2.677   0.816
  472    HG1  THR  61           1HG      THR  61  13.215   0.844   1.276
  473   1HG2  THR  61          1HG2      THR  61  12.738   2.128   3.344
  474   2HG2  THR  61          2HG2      THR  61  12.842   3.592   2.345
  475   3HG2  THR  61          3HG2      THR  61  11.348   3.230   3.229
  476    H    VAL  62           H        VAL  62   8.782  -0.471   2.686
  477    HA   VAL  62           HA       VAL  62   6.708   1.616   2.471
  478    HB   VAL  62           HB       VAL  62   5.937  -0.374   1.609
  479   1HG1  VAL  62          1HG1      VAL  62   6.949  -1.798   4.083
  480   2HG1  VAL  62          2HG1      VAL  62   5.805  -2.502   2.918
  481   3HG1  VAL  62          3HG1      VAL  62   7.431  -2.063   2.392
  482   1HG2  VAL  62          1HG2      VAL  62   4.812  -0.332   4.441
  483   2HG2  VAL  62          2HG2      VAL  62   4.379   0.835   3.173
  484   3HG2  VAL  62          3HG2      VAL  62   4.024  -0.885   2.957
  485    H    SER  63           H        SER  63   5.991   2.822   4.135
  486    HA   SER  63           HA       SER  63   6.188   1.810   6.891
  487   1HB   SER  63          2HB       SER  63   7.513   4.389   5.951
  488   2HB   SER  63          3HB       SER  63   7.202   3.987   7.652
  489    HG   SER  63           HG       SER  63   8.430   1.951   6.263
  490    H    TYR  64           H        TYR  64   4.640   2.693   8.215
  491    HA   TYR  64           HA       TYR  64   2.265   3.522   6.732
  492   1HB   TYR  64          2HB       TYR  64   2.239   1.551   8.136
  493   2HB   TYR  64          3HB       TYR  64   2.809   2.471   9.528
  494    HD1  TYR  64           HD1      TYR  64  -0.004   2.773   7.013
  495    HD2  TYR  64           HD2      TYR  64   1.177   2.830  11.164
  496    HE1  TYR  64           HE1      TYR  64  -2.285   3.372   7.667
  497    HE2  TYR  64           HE2      TYR  64  -1.152   3.362  11.813
  498    HH   TYR  64           HH       TYR  64  -3.615   4.181   9.393
  499    H    LEU  65           H        LEU  65   1.004   5.312   7.181
  500    HA   LEU  65           HA       LEU  65   2.091   7.437   8.964
  501   1HB   LEU  65          2HB       LEU  65   0.709   7.653   6.288
  502   2HB   LEU  65          3HB       LEU  65   0.893   8.982   7.431
  503    HG   LEU  65           HG       LEU  65   3.463   8.221   7.446
  504   1HD1  LEU  65          1HD1      LEU  65   2.527   7.448   4.653
  505   2HD1  LEU  65          2HD1      LEU  65   4.205   7.520   5.258
  506   3HD1  LEU  65          3HD1      LEU  65   3.094   6.310   5.891
  507   1HD2  LEU  65          1HD2      LEU  65   2.640  10.413   6.920
  508   2HD2  LEU  65          2HD2      LEU  65   3.854   9.922   5.716
  509   3HD2  LEU  65          3HD2      LEU  65   2.120   9.881   5.297
  510    H    GLY  66           H        GLY  66   0.068   9.030   9.359
  511   1HA   GLY  66          2HA       GLY  66  -1.411   7.760  11.328
  512   2HA   GLY  66          3HA       GLY  66  -1.787   9.346  10.639
  513    H    LEU  67           H        LEU  67  -3.709   7.662  11.645
  514    HA   LEU  67           HA       LEU  67  -5.134   6.230   9.551
  515   1HB   LEU  67          2HB       LEU  67  -5.174   5.520  11.926
  516   2HB   LEU  67          3HB       LEU  67  -5.817   7.096  12.394
  517    HG   LEU  67           HG       LEU  67  -7.909   6.601  11.073
  518   1HD1  LEU  67          1HD1      LEU  67  -7.043   4.903   9.532
  519   2HD1  LEU  67          2HD1      LEU  67  -6.638   3.830  10.892
  520   3HD1  LEU  67          3HD1      LEU  67  -8.336   4.218  10.512
  521   1HD2  LEU  67          1HD2      LEU  67  -8.841   5.027  12.690
  522   2HD2  LEU  67          2HD2      LEU  67  -7.211   4.591  13.245
  523   3HD2  LEU  67          3HD2      LEU  67  -7.833   6.239  13.504
  524    H    GLU  68           H        GLU  68  -6.843   7.029   8.372
  525    HA   GLU  68           HA       GLU  68  -8.555   8.864   9.656
  526   1HB   GLU  68          2HB       GLU  68  -7.165  10.435   8.160
  527   2HB   GLU  68          3HB       GLU  68  -7.969   9.681   6.782
  528   1HG   GLU  68          2HG       GLU  68  -9.431  11.008   9.131
  529   2HG   GLU  68          3HG       GLU  68  -8.953  11.868   7.671
  Start of MODEL   10
    1   1H    MET   1           H1       MET   1 -13.775   6.100   3.977
    2   2H    MET   1           H2       MET   1 -15.385   5.964   4.288
    3   3H    MET   1           H3       MET   1 -14.406   6.993   5.173
    4    HA   MET   1           HA       MET   1 -14.882   4.969   6.433
    5   1HB   MET   1          2HB       MET   1 -13.590   3.851   3.925
    6   2HB   MET   1          3HB       MET   1 -13.390   2.980   5.431
    7   1HG   MET   1          2HG       MET   1 -15.809   2.765   5.684
    8   2HG   MET   1          3HG       MET   1 -16.083   3.742   4.229
    9   1HE   MET   1          1HE       MET   1 -17.723   1.838   3.345
   10   2HE   MET   1          2HE       MET   1 -17.242   0.125   3.253
   11   3HE   MET   1          3HE       MET   1 -17.377   0.923   4.833
   12    HA   PRO   2           HA       PRO   2 -10.845   5.912   8.170
   13   1HB   PRO   2          2HB       PRO   2  -9.952   3.513   9.214
   14   2HB   PRO   2          3HB       PRO   2 -11.150   4.570  10.026
   15   1HG   PRO   2          2HG       PRO   2 -11.663   2.151   8.262
   16   2HG   PRO   2          3HG       PRO   2 -12.407   2.519   9.848
   17   1HD   PRO   2          2HD       PRO   2 -13.728   3.068   7.580
   18   2HD   PRO   2          3HD       PRO   2 -13.731   4.269   8.893
   19    H    LYS   3           H        LYS   3  -8.605   5.646   7.620
   20    HA   LYS   3           HA       LYS   3  -7.955   3.867   5.354
   21   1HB   LYS   3          2HB       LYS   3  -7.321   5.765   3.904
   22   2HB   LYS   3          3HB       LYS   3  -9.018   5.801   4.345
   23   1HG   LYS   3          2HG       LYS   3  -8.213   7.477   6.222
   24   2HG   LYS   3          3HG       LYS   3  -6.722   7.542   5.291
   25   1HD   LYS   3          2HD       LYS   3  -7.978   9.341   4.411
   26   2HD   LYS   3          3HD       LYS   3  -8.219   8.042   3.229
   27   1HE   LYS   3          2HE       LYS   3 -10.352   9.061   3.607
   28   2HE   LYS   3          3HE       LYS   3 -10.419   7.488   4.390
   29   1HZ   LYS   3          1HZ       LYS   3  -9.997   8.608   6.522
   30   2HZ   LYS   3          2HZ       LYS   3  -9.852  10.026   5.771
   31   3HZ   LYS   3          3HZ       LYS   3 -11.305   9.262   5.807
   32    H    HIS   4           H        HIS   4  -5.684   4.212   4.636
   33    HA   HIS   4           HA       HIS   4  -3.791   4.980   6.802
   34   1HB   HIS   4          2HB       HIS   4  -4.424   2.178   5.854
   35   2HB   HIS   4          3HB       HIS   4  -2.729   2.599   5.907
   36    HD1  HIS   4           1HD      HIS   4  -5.297   3.809   8.523
   37    HD2  HIS   4           2HD      HIS   4  -1.881   1.398   8.025
   38    HE1  HIS   4           1HE      HIS   4  -4.550   3.073  10.862
   39    H    GLU   5           H        GLU   5  -2.239   6.232   5.890
   40    HA   GLU   5           HA       GLU   5  -1.612   5.892   3.007
   41   1HB   GLU   5          2HB       GLU   5  -1.522   8.185   3.837
   42   2HB   GLU   5          3HB       GLU   5  -0.441   7.713   5.128
   43   1HG   GLU   5          2HG       GLU   5   1.256   7.023   3.368
   44   2HG   GLU   5          3HG       GLU   5   0.131   7.589   2.122
   45    H    PHE   6           H        PHE   6   0.300   4.899   2.405
   46    HA   PHE   6           HA       PHE   6   2.248   4.189   4.470
   47   1HB   PHE   6          2HB       PHE   6   1.317   2.311   2.251
   48   2HB   PHE   6          3HB       PHE   6   2.891   2.174   3.015
   49    HD1  PHE   6           1HD      PHE   6   3.122   0.508   4.643
   50    HD2  PHE   6           2HD      PHE   6  -0.776   2.321   4.133
   51    HE1  PHE   6           1HE      PHE   6   2.072  -1.516   5.392
   52    HE2  PHE   6           2HE      PHE   6  -1.780   0.417   5.294
   53    HZ   PHE   6           HZ       PHE   6  -0.440  -1.623   5.650
   54    H    SER   7           H        SER   7   4.164   5.020   3.842
   55    HA   SER   7           HA       SER   7   4.357   6.081   1.051
   56   1HB   SER   7          2HB       SER   7   4.882   7.673   2.902
   57   2HB   SER   7          3HB       SER   7   6.250   6.622   3.343
   58    HG   SER   7           HG       SER   7   7.070   6.983   1.217
   59    H    VAL   8           H        VAL   8   5.974   5.280  -0.295
   60    HA   VAL   8           HA       VAL   8   7.220   2.705   0.509
   61    HB   VAL   8           HB       VAL   8   5.473   3.173  -1.942
   62   1HG1  VAL   8          1HG1      VAL   8   5.542   0.602  -1.999
   63   2HG1  VAL   8          2HG1      VAL   8   7.010   1.419  -2.479
   64   3HG1  VAL   8          3HG1      VAL   8   6.896   0.704  -0.858
   65   1HG2  VAL   8          1HG2      VAL   8   4.854   1.795   0.690
   66   2HG2  VAL   8          2HG2      VAL   8   3.970   3.134  -0.072
   67   3HG2  VAL   8          3HG2      VAL   8   3.917   1.522  -0.781
   68    H    ASP   9           H        ASP   9   8.710   1.997  -1.321
   69    HA   ASP   9           HA       ASP   9   9.930   4.290  -2.820
   70   1HB   ASP   9          2HB       ASP   9  11.736   3.072  -1.992
   71   2HB   ASP   9          3HB       ASP   9  10.901   1.517  -2.153
   72    H    MET  10           H        MET  10   8.497   4.663  -4.409
   73    HA   MET  10           HA       MET  10   8.088   2.428  -6.294
   74   1HB   MET  10          2HB       MET  10   6.315   4.885  -6.163
   75   2HB   MET  10          3HB       MET  10   6.198   3.532  -7.287
   76   1HG   MET  10          2HG       MET  10   5.513   2.036  -5.534
   77   2HG   MET  10          3HG       MET  10   5.793   3.282  -4.299
   78   1HE   MET  10          1HE       MET  10   1.892   2.998  -4.355
   79   2HE   MET  10          2HE       MET  10   3.009   1.650  -4.677
   80   3HE   MET  10          3HE       MET  10   3.377   2.824  -3.383
   81    H    THR  11           H        THR  11  10.525   3.259  -6.488
   82    HA   THR  11           HA       THR  11  10.856   5.687  -7.903
   83    HB   THR  11           HB       THR  11  12.640   3.236  -7.735
   84    HG1  THR  11           1HG      THR  11  12.260   4.210  -5.776
   85   1HG2  THR  11          1HG2      THR  11  13.474   4.557  -9.618
   86   2HG2  THR  11          2HG2      THR  11  13.275   6.065  -8.689
   87   3HG2  THR  11          3HG2      THR  11  14.490   4.865  -8.205
   88    H    CYS  12           HN       CYS  12   9.495   2.723  -9.222
   89    HA   CYS  12           HA       CYS  12   9.190   4.290 -11.652
   90   1HB   CYS  12          2HB       CYS  12   9.888   2.645 -13.226
   91   2HB   CYS  12          3HB       CYS  12  11.224   2.866 -12.102
   92    H    GLY  13           H        GLY  13   7.558   3.295 -13.072
   93   1HA   GLY  13          2HA       GLY  13   5.109   2.771 -11.887
   94   2HA   GLY  13          3HA       GLY  13   5.563   2.278 -13.522
   95    H    GLY  14           H        GLY  14   7.674   0.447 -12.756
   96   1HA   GLY  14          2HA       GLY  14   6.161  -1.914 -12.501
   97   2HA   GLY  14          3HA       GLY  14   7.929  -1.768 -12.324
   98    H    CYS  15           HN       CYS  15   7.763   0.118 -10.013
   99    HA   CYS  15           HA       CYS  15   7.536  -1.825  -7.872
  100   1HB   CYS  15          2HB       CYS  15   7.587   1.188  -7.906
  101   2HB   CYS  15          3HB       CYS  15   7.729   0.188  -6.448
  102    H    ALA  16           H        ALA  16   5.497   0.864  -9.110
  103    HA   ALA  16           HA       ALA  16   3.397   0.578  -7.198
  104   1HB   ALA  16          1HB       ALA  16   2.003   1.789  -8.823
  105   2HB   ALA  16          2HB       ALA  16   3.572   2.567  -8.562
  106   3HB   ALA  16          3HB       ALA  16   3.270   1.638 -10.049
  107    H    GLU  17           H        GLU  17   3.861  -0.910 -10.457
  108    HA   GLU  17           HA       GLU  17   1.612  -2.526 -10.546
  109   1HB   GLU  17          2HB       GLU  17   3.518  -2.272 -12.290
  110   2HB   GLU  17          3HB       GLU  17   4.380  -3.503 -11.355
  111   1HG   GLU  17          2HG       GLU  17   1.999  -4.776 -11.584
  112   2HG   GLU  17          3HG       GLU  17   1.921  -3.710 -12.998
  113    H    ALA  18           H        ALA  18   4.824  -3.384  -9.111
  114    HA   ALA  18           HA       ALA  18   4.095  -5.926  -8.161
  115   1HB   ALA  18          1HB       ALA  18   6.067  -3.957  -6.917
  116   2HB   ALA  18          2HB       ALA  18   6.027  -5.708  -6.648
  117   3HB   ALA  18          3HB       ALA  18   6.426  -5.067  -8.260
  118    H    VAL  19           H        VAL  19   3.965  -2.755  -6.404
  119    HA   VAL  19           HA       VAL  19   2.976  -3.733  -3.963
  120    HB   VAL  19           HB       VAL  19   2.598  -1.092  -5.448
  121   1HG1  VAL  19          1HG1      VAL  19   1.762  -2.090  -2.749
  122   2HG1  VAL  19          2HG1      VAL  19   2.047  -0.347  -3.065
  123   3HG1  VAL  19          3HG1      VAL  19   0.781  -1.216  -3.962
  124   1HG2  VAL  19          1HG2      VAL  19   4.350  -0.252  -4.088
  125   2HG2  VAL  19          2HG2      VAL  19   4.295  -1.630  -2.987
  126   3HG2  VAL  19          3HG2      VAL  19   4.972  -1.824  -4.610
  127    H    SER  20           H        SER  20   1.274  -2.600  -6.886
  128    HA   SER  20           HA       SER  20  -1.369  -2.921  -5.946
  129   1HB   SER  20          2HB       SER  20  -0.420  -1.829  -8.137
  130   2HB   SER  20          3HB       SER  20  -0.485  -3.438  -8.842
  131    HG   SER  20           HG       SER  20  -2.387  -2.217  -9.240
  132    H    ARG  21           H        ARG  21   0.662  -5.193  -7.786
  133    HA   ARG  21           HA       ARG  21  -1.098  -7.366  -7.816
  134   1HB   ARG  21          2HB       ARG  21   0.521  -8.201  -8.990
  135   2HB   ARG  21          3HB       ARG  21   1.501  -6.812  -8.659
  136   1HG   ARG  21          2HG       ARG  21   2.589  -7.944  -6.767
  137   2HG   ARG  21          3HG       ARG  21   1.554  -9.358  -7.001
  138   1HD   ARG  21          2HD       ARG  21   2.446  -9.605  -9.320
  139   2HD   ARG  21          3HD       ARG  21   3.381  -8.107  -9.114
  140    HE   ARG  21           HE       ARG  21   4.056 -10.038  -7.090
  141   1HH1  ARG  21          2HH2      ARG  21   4.583  -9.192 -10.484
  142   2HH1  ARG  21          1HH2      ARG  21   6.086 -10.037 -10.638
  143   1HH2  ARG  21          2HH1      ARG  21   6.079 -11.169  -7.250
  144   2HH2  ARG  21          1HH1      ARG  21   6.960 -11.183  -8.743
  145    H    VAL  22           H        VAL  22   1.180  -6.409  -5.228
  146    HA   VAL  22           HA       VAL  22   0.760  -8.701  -3.559
  147    HB   VAL  22           HB       VAL  22   2.219  -6.176  -3.553
  148   1HG1  VAL  22          1HG1      VAL  22   2.327  -5.858  -1.093
  149   2HG1  VAL  22          2HG1      VAL  22   0.828  -5.331  -1.845
  150   3HG1  VAL  22          3HG1      VAL  22   0.888  -6.861  -0.918
  151   1HG2  VAL  22          1HG2      VAL  22   2.628  -8.647  -1.885
  152   2HG2  VAL  22          2HG2      VAL  22   3.249  -8.368  -3.537
  153   3HG2  VAL  22          3HG2      VAL  22   3.780  -7.325  -2.205
  154    H    LEU  23           H        LEU  23  -0.693  -5.453  -3.663
  155    HA   LEU  23           HA       LEU  23  -2.553  -6.014  -1.491
  156   1HB   LEU  23          2HB       LEU  23  -2.007  -3.764  -3.404
  157   2HB   LEU  23          3HB       LEU  23  -3.549  -3.764  -2.623
  158    HG   LEU  23           HG       LEU  23  -0.770  -3.750  -1.326
  159   1HD1  LEU  23          1HD1      LEU  23  -3.045  -1.732  -1.341
  160   2HD1  LEU  23          2HD1      LEU  23  -1.472  -1.559  -0.516
  161   3HD1  LEU  23          3HD1      LEU  23  -1.535  -1.600  -2.290
  162   1HD2  LEU  23          1HD2      LEU  23  -3.535  -4.099  -0.222
  163   2HD2  LEU  23          2HD2      LEU  23  -2.041  -4.949   0.263
  164   3HD2  LEU  23          3HD2      LEU  23  -2.311  -3.279   0.777
  165    H    ASN  24           H        ASN  24  -2.692  -6.478  -4.975
  166    HA   ASN  24           HA       ASN  24  -5.530  -6.927  -5.089
  167   1HB   ASN  24          2HB       ASN  24  -4.188  -6.503  -7.103
  168   2HB   ASN  24          3HB       ASN  24  -3.294  -8.006  -6.847
  169   1HD2  ASN  24          1HD2      ASN  24  -6.567  -8.608  -5.932
  170   2HD2  ASN  24          2HD2      ASN  24  -7.051  -9.240  -7.490
  171    H    LYS  25           H        LYS  25  -2.645  -9.022  -4.488
  172    HA   LYS  25           HA       LYS  25  -4.084 -11.388  -4.005
  173   1HB   LYS  25          2HB       LYS  25  -1.398 -10.385  -3.554
  174   2HB   LYS  25          3HB       LYS  25  -1.909 -11.318  -2.171
  175   1HG   LYS  25          2HG       LYS  25  -2.110 -12.300  -5.069
  176   2HG   LYS  25          3HG       LYS  25  -0.674 -12.461  -4.077
  177   1HD   LYS  25          2HD       LYS  25  -1.620 -14.519  -3.921
  178   2HD   LYS  25          3HD       LYS  25  -2.002 -13.791  -2.372
  179   1HE   LYS  25          2HE       LYS  25  -4.065 -13.634  -4.611
  180   2HE   LYS  25          3HE       LYS  25  -3.727 -15.219  -3.928
  181   1HZ   LYS  25          1HZ       LYS  25  -4.634 -12.924  -2.320
  182   2HZ   LYS  25          2HZ       LYS  25  -5.550 -14.179  -2.817
  183   3HZ   LYS  25          3HZ       LYS  25  -4.314 -14.431  -1.767
  184    H    LEU  26           H        LEU  26  -3.666  -8.538  -1.865
  185    HA   LEU  26           HA       LEU  26  -5.018  -9.710   0.395
  186   1HB   LEU  26          2HB       LEU  26  -3.702  -7.442   0.203
  187   2HB   LEU  26          3HB       LEU  26  -5.228  -6.789  -0.387
  188    HG   LEU  26           HG       LEU  26  -5.183  -6.217   1.811
  189   1HD1  LEU  26          1HD1      LEU  26  -7.328  -7.325   1.011
  190   2HD1  LEU  26          2HD1      LEU  26  -6.835  -8.743   1.968
  191   3HD1  LEU  26          3HD1      LEU  26  -7.107  -7.181   2.765
  192   1HD2  LEU  26          1HD2      LEU  26  -3.400  -7.546   2.638
  193   2HD2  LEU  26          2HD2      LEU  26  -4.807  -7.798   3.677
  194   3HD2  LEU  26          3HD2      LEU  26  -4.343  -9.053   2.512
  195    H    GLY  27           H        GLY  27  -6.151  -7.673  -2.347
  196   1HA   GLY  27          2HA       GLY  27  -7.959  -8.083  -3.720
  197   2HA   GLY  27          3HA       GLY  27  -8.488  -9.406  -2.680
  198    H    GLY  28           H        GLY  28  -9.096  -8.358  -0.307
  199   1HA   GLY  28          2HA       GLY  28 -11.553  -6.928  -0.871
  200   2HA   GLY  28          3HA       GLY  28 -10.947  -7.411   0.717
  201    H    VAL  29           H        VAL  29  -9.396  -5.220  -1.649
  202    HA   VAL  29           HA       VAL  29  -9.213  -3.112   0.463
  203    HB   VAL  29           HB       VAL  29  -7.061  -2.526  -0.696
  204   1HG1  VAL  29          1HG1      VAL  29  -7.253  -5.312   0.464
  205   2HG1  VAL  29          2HG1      VAL  29  -5.737  -4.447   0.213
  206   3HG1  VAL  29          3HG1      VAL  29  -6.932  -3.811   1.348
  207   1HG2  VAL  29          1HG2      VAL  29  -7.549  -3.846  -2.867
  208   2HG2  VAL  29          2HG2      VAL  29  -5.944  -4.074  -2.133
  209   3HG2  VAL  29          3HG2      VAL  29  -7.196  -5.313  -1.924
  210    H    LYS  30           H        LYS  30  -9.288  -0.917  -0.316
  211    HA   LYS  30           HA       LYS  30  -9.111  -0.671  -3.180
  212   1HB   LYS  30          2HB       LYS  30 -11.492   0.224  -2.043
  213   2HB   LYS  30          3HB       LYS  30 -10.483   1.659  -1.953
  214   1HG   LYS  30          2HG       LYS  30 -11.092   0.014  -4.460
  215   2HG   LYS  30          3HG       LYS  30 -11.819   1.544  -4.002
  216   1HD   LYS  30          2HD       LYS  30 -10.322   2.557  -5.292
  217   2HD   LYS  30          3HD       LYS  30  -9.122   2.257  -4.055
  218   1HE   LYS  30          2HE       LYS  30  -8.575   0.057  -5.284
  219   2HE   LYS  30          3HE       LYS  30  -9.768   0.522  -6.501
  220   1HZ   LYS  30          1HZ       LYS  30  -7.294   2.004  -5.845
  221   2HZ   LYS  30          2HZ       LYS  30  -7.565   1.108  -7.184
  222   3HZ   LYS  30          3HZ       LYS  30  -8.414   2.493  -6.946
  223    H    TYR  31           H        TYR  31  -7.555   0.904  -3.610
  224    HA   TYR  31           HA       TYR  31  -6.454   2.453  -1.481
  225   1HB   TYR  31          2HB       TYR  31  -4.167   1.470  -1.779
  226   2HB   TYR  31          3HB       TYR  31  -5.314   0.339  -1.057
  227    HD1  TYR  31           HD1      TYR  31  -6.505  -1.384  -2.625
  228    HD2  TYR  31           HD2      TYR  31  -2.890   0.729  -3.650
  229    HE1  TYR  31           HE1      TYR  31  -6.047  -3.023  -4.413
  230    HE2  TYR  31           HE2      TYR  31  -2.304  -1.070  -5.222
  231    HH   TYR  31           HH       TYR  31  -4.433  -3.888  -5.835
  232    H    ASP  32           H        ASP  32  -5.351   4.234  -2.348
  233    HA   ASP  32           HA       ASP  32  -5.300   4.398  -5.331
  234   1HB   ASP  32          2HB       ASP  32  -6.616   6.183  -4.138
  235   2HB   ASP  32          3HB       ASP  32  -5.108   6.715  -3.374
  236    H    ILE  33           H        ILE  33  -3.347   5.486  -6.187
  237    HA   ILE  33           HA       ILE  33  -0.886   4.407  -4.857
  238    HB   ILE  33           HB       ILE  33  -2.163   3.841  -7.556
  239   1HG1  ILE  33          2HG1      ILE  33  -1.163   1.810  -5.540
  240   2HG1  ILE  33          3HG1      ILE  33  -2.779   2.498  -5.362
  241   1HG2  ILE  33          1HG2      ILE  33  -0.158   2.419  -8.005
  242   2HG2  ILE  33          2HG2      ILE  33   0.177   4.150  -7.982
  243   3HG2  ILE  33          3HG2      ILE  33   0.626   3.150  -6.581
  244   1HD1  ILE  33          1HD1      ILE  33  -1.884   0.866  -7.731
  245   2HD1  ILE  33          2HD1      ILE  33  -3.220   0.574  -6.597
  246   3HD1  ILE  33          3HD1      ILE  33  -3.344   1.897  -7.728
  247    H    ASP  34           H        ASP  34   0.272   6.286  -4.652
  248    HA   ASP  34           HA       ASP  34   0.261   8.226  -6.936
  249   1HB   ASP  34          2HB       ASP  34  -0.337   9.115  -4.704
  250   2HB   ASP  34          3HB       ASP  34   1.275   8.644  -4.127
  251    H    LEU  35           H        LEU  35   1.836   7.817  -8.319
  252    HA   LEU  35           HA       LEU  35   4.247   6.368  -7.599
  253   1HB   LEU  35          2HB       LEU  35   2.996   7.400 -10.102
  254   2HB   LEU  35          3HB       LEU  35   4.758   7.368 -10.084
  255    HG   LEU  35           HG       LEU  35   3.171   4.946  -9.172
  256   1HD1  LEU  35          1HD1      LEU  35   3.236   4.014 -11.432
  257   2HD1  LEU  35          2HD1      LEU  35   2.287   5.509 -11.409
  258   3HD1  LEU  35          3HD1      LEU  35   3.941   5.518 -12.062
  259   1HD2  LEU  35          1HD2      LEU  35   5.198   3.721  -9.806
  260   2HD2  LEU  35          2HD2      LEU  35   5.875   5.158 -10.588
  261   3HD2  LEU  35          3HD2      LEU  35   5.694   5.117  -8.831
  262    HA   PRO  36           HA       PRO  36   6.579  10.429  -8.479
  263   1HB   PRO  36          2HB       PRO  36   5.243  12.861  -8.211
  264   2HB   PRO  36          3HB       PRO  36   5.558  12.007  -9.747
  265   1HG   PRO  36          2HG       PRO  36   3.052  11.913  -8.054
  266   2HG   PRO  36          3HG       PRO  36   3.174  12.147  -9.822
  267   1HD   PRO  36          2HD       PRO  36   2.592   9.748  -8.815
  268   2HD   PRO  36          3HD       PRO  36   3.764   9.850 -10.157
  269    H    ASN  37           H        ASN  37   3.933  10.503  -6.084
  270    HA   ASN  37           HA       ASN  37   5.792  11.660  -4.054
  271   1HB   ASN  37          2HB       ASN  37   2.876  10.973  -3.723
  272   2HB   ASN  37          3HB       ASN  37   3.955  11.662  -2.522
  273   1HD2  ASN  37          1HD2      ASN  37   1.768  12.555  -4.985
  274   2HD2  ASN  37          2HD2      ASN  37   2.279  14.237  -5.095
  275    H    LYS  38           H        LYS  38   4.952   8.569  -5.265
  276    HA   LYS  38           HA       LYS  38   5.452   6.495  -4.726
  277   1HB   LYS  38          2HB       LYS  38   7.576   7.804  -2.955
  278   2HB   LYS  38          3HB       LYS  38   7.390   6.095  -3.297
  279   1HG   LYS  38          2HG       LYS  38   9.068   6.594  -4.699
  280   2HG   LYS  38          3HG       LYS  38   7.646   6.570  -5.743
  281   1HD   LYS  38          2HD       LYS  38   9.260   8.225  -6.359
  282   2HD   LYS  38          3HD       LYS  38   7.717   8.951  -5.997
  283   1HE   LYS  38          2HE       LYS  38   9.831   8.839  -3.814
  284   2HE   LYS  38          3HE       LYS  38  10.024   9.983  -5.151
  285   1HZ   LYS  38          1HZ       LYS  38   7.851  10.841  -4.707
  286   2HZ   LYS  38          2HZ       LYS  38   7.705   9.893  -3.354
  287   3HZ   LYS  38          3HZ       LYS  38   8.870  11.060  -3.426
  288    H    LYS  39           H        LYS  39   3.159   6.540  -3.734
  289    HA   LYS  39           HA       LYS  39   3.251   5.706  -0.924
  290   1HB   LYS  39          2HB       LYS  39   2.012   8.262  -1.985
  291   2HB   LYS  39          3HB       LYS  39   1.184   7.409  -0.694
  292   1HG   LYS  39          2HG       LYS  39   2.788   7.837   0.895
  293   2HG   LYS  39          3HG       LYS  39   4.083   7.856  -0.299
  294   1HD   LYS  39          2HD       LYS  39   3.079  10.064  -1.161
  295   2HD   LYS  39          3HD       LYS  39   2.108  10.064   0.316
  296   1HE   LYS  39          2HE       LYS  39   4.205  11.430   0.464
  297   2HE   LYS  39          3HE       LYS  39   4.093  10.190   1.714
  298   1HZ   LYS  39          1HZ       LYS  39   6.276  10.385   0.608
  299   2HZ   LYS  39          2HZ       LYS  39   5.665   8.875   0.626
  300   3HZ   LYS  39          3HZ       LYS  39   5.621   9.756  -0.776
  301    H    VAL  40           H        VAL  40   1.363   4.749  -0.221
  302    HA   VAL  40           HA       VAL  40  -0.676   4.007  -2.248
  303    HB   VAL  40           HB       VAL  40   0.259   2.392   0.175
  304   1HG1  VAL  40          1HG1      VAL  40  -2.097   2.023  -0.406
  305   2HG1  VAL  40          2HG1      VAL  40  -1.649   1.773  -2.111
  306   3HG1  VAL  40          3HG1      VAL  40  -1.127   0.612  -0.878
  307   1HG2  VAL  40          1HG2      VAL  40   1.979   2.356  -1.637
  308   2HG2  VAL  40          2HG2      VAL  40   1.211   0.793  -1.344
  309   3HG2  VAL  40          3HG2      VAL  40   0.729   1.762  -2.758
  310    H    CYS  41           H        CYS  41  -2.757   4.566  -1.502
  311    HA   CYS  41           HA       CYS  41  -3.112   5.333   1.385
  312   1HB   CYS  41          2HB       CYS  41  -4.375   6.504  -1.119
  313   2HB   CYS  41          3HB       CYS  41  -4.854   6.876   0.542
  314    HG   CYS  41           HG       CYS  41  -2.465   7.709   1.322
  315    H    ILE  42           H        ILE  42  -3.863   3.478   2.134
  316    HA   ILE  42           HA       ILE  42  -5.766   1.954   0.573
  317    HB   ILE  42           HB       ILE  42  -4.337   1.665   3.236
  318   1HG1  ILE  42          2HG1      ILE  42  -4.408  -0.615   1.328
  319   2HG1  ILE  42          3HG1      ILE  42  -3.692   0.830   0.664
  320   1HG2  ILE  42          1HG2      ILE  42  -5.446  -0.428   3.761
  321   2HG2  ILE  42          2HG2      ILE  42  -6.605   0.863   3.765
  322   3HG2  ILE  42          3HG2      ILE  42  -6.545  -0.238   2.372
  323   1HD1  ILE  42          1HD1      ILE  42  -1.996   0.964   2.326
  324   2HD1  ILE  42          2HD1      ILE  42  -2.762  -0.285   3.323
  325   3HD1  ILE  42          3HD1      ILE  42  -2.042  -0.718   1.767
  326    H    GLU  43           H        GLU  43  -7.980   1.830   0.945
  327    HA   GLU  43           HA       GLU  43  -9.078   2.788   3.479
  328   1HB   GLU  43          2HB       GLU  43  -9.090   4.803   2.003
  329   2HB   GLU  43          3HB       GLU  43 -10.104   3.938   0.842
  330   1HG   GLU  43          2HG       GLU  43 -11.879   3.697   2.482
  331   2HG   GLU  43          3HG       GLU  43 -10.862   4.361   3.773
  332    H    SER  44           H        SER  44 -10.157   0.973   4.115
  333    HA   SER  44           HA       SER  44 -12.351   0.033   2.555
  334   1HB   SER  44          2HB       SER  44 -10.205  -1.381   1.794
  335   2HB   SER  44          3HB       SER  44 -10.455  -2.149   3.353
  336    HG   SER  44           HG       SER  44 -11.561  -3.282   1.737
  337    H    GLU  45           H        GLU  45 -13.632  -1.503   3.943
  338    HA   GLU  45           HA       GLU  45 -13.389  -0.758   6.770
  339   1HB   GLU  45          2HB       GLU  45 -15.525  -0.819   5.375
  340   2HB   GLU  45          3HB       GLU  45 -15.480  -2.579   5.518
  341   1HG   GLU  45          2HG       GLU  45 -15.558  -2.350   7.993
  342   2HG   GLU  45          3HG       GLU  45 -15.525  -0.583   7.838
  343    H    HIS  46           H        HIS  46 -11.142  -1.971   6.512
  344    HA   HIS  46           HA       HIS  46 -11.522  -4.499   8.009
  345   1HB   HIS  46          2HB       HIS  46  -9.917  -5.737   6.616
  346   2HB   HIS  46          3HB       HIS  46 -11.343  -5.266   5.690
  347    HD1  HIS  46           1HD      HIS  46  -8.674  -2.569   6.178
  348    HD2  HIS  46           2HD      HIS  46  -9.877  -5.524   3.421
  349    HE1  HIS  46           1HE      HIS  46  -7.460  -2.075   4.003
  350    H    SER  47           H        SER  47  -9.355  -5.282   8.897
  351    HA   SER  47           HA       SER  47  -8.165  -3.073  10.249
  352   1HB   SER  47          2HB       SER  47  -8.320  -5.316  11.294
  353   2HB   SER  47          3HB       SER  47  -7.198  -5.960  10.071
  354    HG   SER  47           HG       SER  47  -6.160  -5.365  12.059
  355    H    MET  48           H        MET  48  -6.286  -2.165  10.223
  356    HA   MET  48           HA       MET  48  -4.718  -2.021   7.806
  357   1HB   MET  48          2HB       MET  48  -3.235  -0.603   9.175
  358   2HB   MET  48          3HB       MET  48  -4.890  -0.001   8.972
  359   1HG   MET  48          2HG       MET  48  -4.268  -1.641  11.399
  360   2HG   MET  48          3HG       MET  48  -3.626  -0.002  11.336
  361   1HE   MET  48          1HE       MET  48  -5.572  -1.133  13.612
  362   2HE   MET  48          2HE       MET  48  -4.870   0.506  13.613
  363   3HE   MET  48          3HE       MET  48  -6.621   0.287  13.841
  364    H    ASP  49           H        ASP  49  -4.495  -3.923  10.837
  365    HA   ASP  49           HA       ASP  49  -1.651  -4.385  10.734
  366   1HB   ASP  49          2HB       ASP  49  -2.867  -4.956  12.742
  367   2HB   ASP  49          3HB       ASP  49  -3.975  -6.022  11.854
  368    H    THR  50           H        THR  50  -4.365  -6.383   9.644
  369    HA   THR  50           HA       THR  50  -3.236  -8.341   8.140
  370    HB   THR  50           HB       THR  50  -5.656  -6.637   7.377
  371    HG1  THR  50           1HG      THR  50  -5.291  -8.536   9.437
  372   1HG2  THR  50          1HG2      THR  50  -6.655  -8.751   6.679
  373   2HG2  THR  50          2HG2      THR  50  -5.149  -8.467   5.794
  374   3HG2  THR  50          3HG2      THR  50  -5.179  -9.640   7.130
  375    H    LEU  51           H        LEU  51  -3.675  -4.884   7.181
  376    HA   LEU  51           HA       LEU  51  -2.815  -5.339   4.426
  377   1HB   LEU  51          2HB       LEU  51  -3.303  -2.823   6.111
  378   2HB   LEU  51          3HB       LEU  51  -2.645  -2.819   4.503
  379    HG   LEU  51           HG       LEU  51  -5.326  -2.749   5.247
  380   1HD1  LEU  51          1HD1      LEU  51  -4.144  -3.655   2.550
  381   2HD1  LEU  51          2HD1      LEU  51  -5.652  -2.743   2.787
  382   3HD1  LEU  51          3HD1      LEU  51  -4.101  -1.991   3.131
  383   1HD2  LEU  51          1HD2      LEU  51  -4.858  -5.536   4.073
  384   2HD2  LEU  51          2HD2      LEU  51  -5.602  -5.134   5.634
  385   3HD2  LEU  51          3HD2      LEU  51  -6.382  -4.730   4.125
  386    H    LEU  52           H        LEU  52  -1.375  -3.702   7.250
  387    HA   LEU  52           HA       LEU  52   1.144  -3.175   6.291
  388   1HB   LEU  52          2HB       LEU  52   0.081  -3.861   8.977
  389   2HB   LEU  52          3HB       LEU  52   1.804  -4.068   8.693
  390    HG   LEU  52           HG       LEU  52   1.716  -1.601   7.788
  391   1HD1  LEU  52          1HD1      LEU  52  -0.045  -0.226   8.782
  392   2HD1  LEU  52          2HD1      LEU  52  -0.816  -1.507   7.831
  393   3HD1  LEU  52          3HD1      LEU  52  -0.751  -1.637   9.594
  394   1HD2  LEU  52          1HD2      LEU  52   2.900  -2.283   9.790
  395   2HD2  LEU  52          2HD2      LEU  52   2.051  -0.750  10.070
  396   3HD2  LEU  52          3HD2      LEU  52   1.390  -2.264  10.730
  397    H    ALA  53           H        ALA  53   0.250  -6.247   7.909
  398    HA   ALA  53           HA       ALA  53   2.742  -7.507   7.454
  399   1HB   ALA  53          1HB       ALA  53   1.036  -8.265   9.099
  400   2HB   ALA  53          2HB       ALA  53  -0.032  -8.760   7.768
  401   3HB   ALA  53          3HB       ALA  53   1.520  -9.590   8.021
  402    H    THR  54           H        THR  54   0.084  -7.021   5.143
  403    HA   THR  54           HA       THR  54   1.186  -9.004   3.298
  404    HB   THR  54           HB       THR  54  -1.098  -7.018   2.993
  405    HG1  THR  54           1HG      THR  54  -1.659  -8.448   4.575
  406   1HG2  THR  54          1HG2      THR  54  -1.744  -8.654   1.211
  407   2HG2  THR  54          2HG2      THR  54  -0.226  -7.801   0.868
  408   3HG2  THR  54          3HG2      THR  54  -0.188  -9.482   1.461
  409    H    LEU  55           H        LEU  55   0.961  -5.374   3.650
  410    HA   LEU  55           HA       LEU  55   1.991  -4.927   1.059
  411   1HB   LEU  55          2HB       LEU  55   0.776  -3.445   3.149
  412   2HB   LEU  55          3HB       LEU  55   2.364  -2.685   2.885
  413    HG   LEU  55           HG       LEU  55   0.059  -3.055   1.006
  414   1HD1  LEU  55          1HD1      LEU  55   1.625  -0.609   1.980
  415   2HD1  LEU  55          2HD1      LEU  55   0.193  -0.565   0.942
  416   3HD1  LEU  55          3HD1      LEU  55   0.058  -1.142   2.614
  417   1HD2  LEU  55          1HD2      LEU  55   1.578  -1.701  -0.589
  418   2HD2  LEU  55          2HD2      LEU  55   2.934  -2.316   0.384
  419   3HD2  LEU  55          3HD2      LEU  55   1.862  -3.444  -0.478
  420    H    LYS  56           H        LYS  56   3.413  -5.130   4.290
  421    HA   LYS  56           HA       LYS  56   6.103  -4.462   3.759
  422   1HB   LYS  56          2HB       LYS  56   4.620  -6.118   5.758
  423   2HB   LYS  56          3HB       LYS  56   6.284  -6.553   5.544
  424   1HG   LYS  56          2HG       LYS  56   6.029  -4.967   7.314
  425   2HG   LYS  56          3HG       LYS  56   7.066  -4.319   6.029
  426   1HD   LYS  56          2HD       LYS  56   5.153  -2.911   5.219
  427   2HD   LYS  56          3HD       LYS  56   4.116  -3.642   6.440
  428   1HE   LYS  56          2HE       LYS  56   4.765  -1.433   7.154
  429   2HE   LYS  56          3HE       LYS  56   5.442  -2.632   8.259
  430   1HZ   LYS  56          1HZ       LYS  56   7.582  -2.282   7.287
  431   2HZ   LYS  56          2HZ       LYS  56   6.976  -1.373   6.057
  432   3HZ   LYS  56          3HZ       LYS  56   6.961  -0.769   7.535
  433    H    LYS  57           H        LYS  57   4.310  -7.250   2.568
  434    HA   LYS  57           HA       LYS  57   6.597  -8.918   2.088
  435   1HB   LYS  57          2HB       LYS  57   3.968  -8.884   0.577
  436   2HB   LYS  57          3HB       LYS  57   5.138 -10.191   0.586
  437   1HG   LYS  57          2HG       LYS  57   3.901  -9.242   3.193
  438   2HG   LYS  57          3HG       LYS  57   3.041 -10.351   2.118
  439   1HD   LYS  57          2HD       LYS  57   4.640 -12.070   2.373
  440   2HD   LYS  57          3HD       LYS  57   5.894 -10.970   2.939
  441   1HE   LYS  57          2HE       LYS  57   4.922 -12.450   4.730
  442   2HE   LYS  57          3HE       LYS  57   4.941 -10.714   5.089
  443   1HZ   LYS  57          1HZ       LYS  57   2.698 -10.540   4.734
  444   2HZ   LYS  57          2HZ       LYS  57   2.535 -12.055   4.068
  445   3HZ   LYS  57          3HZ       LYS  57   2.874 -11.862   5.670
  446    H    THR  58           H        THR  58   5.489  -6.032   0.422
  447    HA   THR  58           HA       THR  58   6.903  -6.436  -2.098
  448    HB   THR  58           HB       THR  58   6.936  -4.030  -2.237
  449    HG1  THR  58           1HG      THR  58   5.767  -3.916   0.335
  450   1HG2  THR  58          1HG2      THR  58   4.523  -3.562  -1.969
  451   2HG2  THR  58          2HG2      THR  58   4.831  -5.117  -2.781
  452   3HG2  THR  58          3HG2      THR  58   4.347  -5.068  -1.071
  453    H    GLY  59           H        GLY  59   7.781  -5.535   1.193
  454   1HA   GLY  59          2HA       GLY  59   9.661  -5.329   2.271
  455   2HA   GLY  59          3HA       GLY  59  10.381  -6.520   1.157
  456    H    LYS  60           H        LYS  60   9.149  -3.305   0.348
  457    HA   LYS  60           HA       LYS  60  11.887  -2.316  -0.347
  458   1HB   LYS  60          2HB       LYS  60   9.252  -1.075  -1.163
  459   2HB   LYS  60          3HB       LYS  60  10.854  -0.883  -1.891
  460   1HG   LYS  60          2HG       LYS  60  10.731  -3.418  -2.466
  461   2HG   LYS  60          3HG       LYS  60   9.040  -3.321  -1.995
  462   1HD   LYS  60          2HD       LYS  60   9.069  -3.174  -4.322
  463   2HD   LYS  60          3HD       LYS  60   8.658  -1.560  -3.728
  464   1HE   LYS  60          2HE       LYS  60  11.562  -1.748  -3.920
  465   2HE   LYS  60          3HE       LYS  60  10.908  -2.387  -5.425
  466   1HZ   LYS  60          1HZ       LYS  60  10.173  -0.313  -6.012
  467   2HZ   LYS  60          2HZ       LYS  60   9.867   0.187  -4.474
  468   3HZ   LYS  60          3HZ       LYS  60  11.394   0.127  -4.997
  469    H    THR  61           H        THR  61  11.289   0.446  -0.143
  470    HA   THR  61           HA       THR  61  11.332   0.870   2.622
  471    HB   THR  61           HB       THR  61  10.840   2.998   0.613
  472    HG1  THR  61           1HG      THR  61  13.022   2.778  -0.022
  473   1HG2  THR  61          1HG2      THR  61  11.293   3.645   2.987
  474   2HG2  THR  61          2HG2      THR  61  12.832   2.759   2.917
  475   3HG2  THR  61          3HG2      THR  61  12.581   4.194   1.902
  476    H    VAL  62           H        VAL  62   8.939  -0.445   2.375
  477    HA   VAL  62           HA       VAL  62   6.711   1.481   2.233
  478    HB   VAL  62           HB       VAL  62   6.280  -0.460   1.030
  479   1HG1  VAL  62          1HG1      VAL  62   7.814  -2.117   1.897
  480   2HG1  VAL  62          2HG1      VAL  62   7.013  -2.111   3.485
  481   3HG1  VAL  62          3HG1      VAL  62   6.162  -2.714   2.071
  482   1HG2  VAL  62          1HG2      VAL  62   4.788  -0.845   3.647
  483   2HG2  VAL  62          2HG2      VAL  62   4.426   0.446   2.480
  484   3HG2  VAL  62          3HG2      VAL  62   4.252  -1.249   2.012
  485    H    SER  63           H        SER  63   5.969   2.489   4.026
  486    HA   SER  63           HA       SER  63   5.321   0.850   6.285
  487   1HB   SER  63          2HB       SER  63   7.659   2.704   6.572
  488   2HB   SER  63          3HB       SER  63   6.471   2.727   7.877
  489    HG   SER  63           HG       SER  63   8.151   1.165   8.155
  490    H    TYR  64           H        TYR  64   4.079   1.986   7.886
  491    HA   TYR  64           HA       TYR  64   1.959   3.315   6.489
  492   1HB   TYR  64          2HB       TYR  64   1.080   1.790   7.891
  493   2HB   TYR  64          3HB       TYR  64   2.407   1.881   9.043
  494    HD1  TYR  64           HD1      TYR  64  -0.663   3.735   7.956
  495    HD2  TYR  64           HD2      TYR  64   2.279   3.136  11.043
  496    HE1  TYR  64           HE1      TYR  64  -2.027   5.069   9.515
  497    HE2  TYR  64           HE2      TYR  64   0.987   4.589  12.561
  498    HH   TYR  64           HH       TYR  64  -0.907   5.846  12.840
  499    H    LEU  65           H        LEU  65   1.109   5.357   6.770
  500    HA   LEU  65           HA       LEU  65   2.261   7.196   8.792
  501   1HB   LEU  65          2HB       LEU  65   1.523   7.834   5.945
  502   2HB   LEU  65          3HB       LEU  65   1.713   9.004   7.262
  503    HG   LEU  65           HG       LEU  65   4.091   7.799   7.576
  504   1HD1  LEU  65          1HD1      LEU  65   3.724   6.055   5.887
  505   2HD1  LEU  65          2HD1      LEU  65   3.339   7.275   4.668
  506   3HD1  LEU  65          3HD1      LEU  65   4.988   7.153   5.344
  507   1HD2  LEU  65          1HD2      LEU  65   3.295   9.706   5.367
  508   2HD2  LEU  65          2HD2      LEU  65   3.669  10.111   7.063
  509   3HD2  LEU  65          3HD2      LEU  65   4.958   9.510   5.989
  510    H    GLY  66           H        GLY  66   0.608   8.147   9.944
  511   1HA   GLY  66          2HA       GLY  66  -1.404   8.906  10.662
  512   2HA   GLY  66          3HA       GLY  66  -1.513   9.426   8.980
  513    H    LEU  67           H        LEU  67  -2.715   7.265  11.379
  514    HA   LEU  67           HA       LEU  67  -4.735   5.983   9.756
  515   1HB   LEU  67          2HB       LEU  67  -3.934   5.193  11.971
  516   2HB   LEU  67          3HB       LEU  67  -4.634   6.635  12.768
  517    HG   LEU  67           HG       LEU  67  -6.284   4.629  11.149
  518   1HD1  LEU  67          1HD1      LEU  67  -5.080   3.468  13.036
  519   2HD1  LEU  67          2HD1      LEU  67  -5.777   4.636  14.168
  520   3HD1  LEU  67          3HD1      LEU  67  -6.827   3.513  13.278
  521   1HD2  LEU  67          1HD2      LEU  67  -7.595   6.636  11.591
  522   2HD2  LEU  67          2HD2      LEU  67  -8.122   5.422  12.724
  523   3HD2  LEU  67          3HD2      LEU  67  -7.033   6.705  13.267
  524    H    GLU  68           H        GLU  68  -6.620   6.905   9.034
  525    HA   GLU  68           HA       GLU  68  -7.901   9.102  10.322
  526   1HB   GLU  68          2HB       GLU  68  -6.120  10.140   8.776
  527   2HB   GLU  68          3HB       GLU  68  -7.026   9.505   7.416
  528   1HG   GLU  68          2HG       GLU  68  -8.445  11.240   9.479
  529   2HG   GLU  68          3HG       GLU  68  -7.295  12.004   8.368
  Start of MODEL   11
    1   1H    MET   1           H1       MET   1 -10.823   7.379   9.402
    2   2H    MET   1           H2       MET   1 -11.507   6.821  10.808
    3   3H    MET   1           H3       MET   1 -10.056   6.291  10.180
    4    HA   MET   1           HA       MET   1 -12.522   5.123   9.753
    5   1HB   MET   1          2HB       MET   1 -12.720   7.103   8.141
    6   2HB   MET   1          3HB       MET   1 -11.373   6.416   7.229
    7   1HG   MET   1          2HG       MET   1 -12.769   4.445   6.673
    8   2HG   MET   1          3HG       MET   1 -14.048   5.062   7.747
    9   1HE   MET   1          1HE       MET   1 -11.882   6.989   4.999
   10   2HE   MET   1          2HE       MET   1 -12.299   5.408   4.277
   11   3HE   MET   1          3HE       MET   1 -13.033   6.894   3.646
   12    HA   PRO   2           HA       PRO   2  -9.298   2.027   8.645
   13   1HB   PRO   2          2HB       PRO   2 -10.735   0.198   7.153
   14   2HB   PRO   2          3HB       PRO   2 -10.738   0.291   8.928
   15   1HG   PRO   2          2HG       PRO   2 -12.749   1.539   7.036
   16   2HG   PRO   2          3HG       PRO   2 -13.071   0.530   8.477
   17   1HD   PRO   2          2HD       PRO   2 -13.216   3.196   8.624
   18   2HD   PRO   2          3HD       PRO   2 -12.398   2.311   9.927
   19    H    LYS   3           H        LYS   3  -8.559   4.021   7.504
   20    HA   LYS   3           HA       LYS   3  -8.054   3.419   4.708
   21   1HB   LYS   3          2HB       LYS   3 -10.002   5.018   4.748
   22   2HB   LYS   3          3HB       LYS   3  -9.047   6.125   5.726
   23   1HG   LYS   3          2HG       LYS   3  -7.342   6.153   3.801
   24   2HG   LYS   3          3HG       LYS   3  -8.533   5.225   2.870
   25   1HD   LYS   3          2HD       LYS   3 -10.156   7.085   3.084
   26   2HD   LYS   3          3HD       LYS   3  -9.046   7.950   4.165
   27   1HE   LYS   3          2HE       LYS   3  -8.948   8.909   1.929
   28   2HE   LYS   3          3HE       LYS   3  -7.390   8.200   2.367
   29   1HZ   LYS   3          1HZ       LYS   3  -9.416   6.837   0.725
   30   2HZ   LYS   3          2HZ       LYS   3  -8.113   7.646   0.109
   31   3HZ   LYS   3          3HZ       LYS   3  -7.906   6.305   1.049
   32    H    HIS   4           H        HIS   4  -5.908   4.170   4.200
   33    HA   HIS   4           HA       HIS   4  -4.273   5.179   6.448
   34   1HB   HIS   4          2HB       HIS   4  -3.296   2.582   5.437
   35   2HB   HIS   4          3HB       HIS   4  -3.401   3.200   7.072
   36    HD1  HIS   4           1HD      HIS   4  -5.134   1.950   8.558
   37    HD2  HIS   4           2HD      HIS   4  -5.809   1.579   4.428
   38    HE1  HIS   4           1HE      HIS   4  -7.081   0.306   8.266
   39    H    GLU   5           H        GLU   5  -2.435   6.190   5.647
   40    HA   GLU   5           HA       GLU   5  -1.851   5.859   2.751
   41   1HB   GLU   5          2HB       GLU   5  -1.971   8.190   3.811
   42   2HB   GLU   5          3HB       GLU   5  -0.479   7.772   4.635
   43   1HG   GLU   5          2HG       GLU   5   0.190   7.058   2.057
   44   2HG   GLU   5          3HG       GLU   5  -1.018   8.293   1.731
   45    H    PHE   6           H        PHE   6  -0.008   4.841   2.100
   46    HA   PHE   6           HA       PHE   6   2.106   4.229   4.099
   47   1HB   PHE   6          2HB       PHE   6   1.068   2.395   1.904
   48   2HB   PHE   6          3HB       PHE   6   2.641   2.214   2.666
   49    HD1  PHE   6           1HD      PHE   6  -1.039   2.358   3.568
   50    HD2  PHE   6           2HD      PHE   6   2.875   0.840   4.604
   51    HE1  PHE   6           1HE      PHE   6  -2.051   0.725   5.111
   52    HE2  PHE   6           2HE      PHE   6   1.848  -0.854   6.000
   53    HZ   PHE   6           HZ       PHE   6  -0.643  -0.918   6.305
   54    H    SER   7           H        SER   7   3.932   5.224   3.490
   55    HA   SER   7           HA       SER   7   4.127   6.302   0.740
   56   1HB   SER   7          2HB       SER   7   4.755   7.790   2.517
   57   2HB   SER   7          3HB       SER   7   6.073   6.696   2.997
   58    HG   SER   7           HG       SER   7   5.873   7.513   0.282
   59    H    VAL   8           H        VAL   8   5.254   5.203  -0.778
   60    HA   VAL   8           HA       VAL   8   6.532   2.614   0.052
   61    HB   VAL   8           HB       VAL   8   4.921   3.296  -2.421
   62   1HG1  VAL   8          1HG1      VAL   8   6.513   0.766  -1.775
   63   2HG1  VAL   8          2HG1      VAL   8   5.386   0.953  -3.131
   64   3HG1  VAL   8          3HG1      VAL   8   6.867   1.905  -3.091
   65   1HG2  VAL   8          1HG2      VAL   8   4.596   1.213  -0.197
   66   2HG2  VAL   8          2HG2      VAL   8   3.589   2.658  -0.402
   67   3HG2  VAL   8          3HG2      VAL   8   3.547   1.355  -1.608
   68    H    ASP   9           H        ASP   9   8.535   2.273  -0.693
   69    HA   ASP   9           HA       ASP   9   9.922   4.551  -1.809
   70   1HB   ASP   9          2HB       ASP   9  10.824   2.794  -0.169
   71   2HB   ASP   9          3HB       ASP   9  11.288   1.875  -1.614
   72    H    MET  10           H        MET  10   8.471   4.685  -3.646
   73    HA   MET  10           HA       MET  10   8.478   2.651  -5.651
   74   1HB   MET  10          2HB       MET  10   7.601   5.545  -5.891
   75   2HB   MET  10          3HB       MET  10   7.322   4.235  -7.054
   76   1HG   MET  10          2HG       MET  10   6.179   2.941  -5.181
   77   2HG   MET  10          3HG       MET  10   6.232   4.437  -4.234
   78   1HE   MET  10          1HE       MET  10   2.468   4.211  -5.167
   79   2HE   MET  10          2HE       MET  10   3.561   2.889  -4.683
   80   3HE   MET  10          3HE       MET  10   3.635   4.476  -3.863
   81    H    THR  11           H        THR  11  10.652   2.191  -5.991
   82    HA   THR  11           HA       THR  11  12.569   4.110  -6.947
   83    HB   THR  11           HB       THR  11  13.820   1.945  -7.510
   84    HG1  THR  11           1HG      THR  11  12.005   0.619  -7.808
   85   1HG2  THR  11          1HG2      THR  11  14.096   3.082  -5.336
   86   2HG2  THR  11          2HG2      THR  11  12.696   2.218  -4.680
   87   3HG2  THR  11          3HG2      THR  11  14.153   1.321  -5.148
   88    H    CYS  12           HN       CYS  12  10.036   2.192  -8.521
   89    HA   CYS  12           HA       CYS  12  10.587   3.400 -11.079
   90   1HB   CYS  12          2HB       CYS  12  10.722   1.125 -12.203
   91   2HB   CYS  12          3HB       CYS  12  12.165   1.609 -11.315
   92    H    GLY  13           H        GLY  13   8.828   2.894 -12.543
   93   1HA   GLY  13          2HA       GLY  13   6.249   3.168 -11.693
   94   2HA   GLY  13          3HA       GLY  13   6.700   2.315 -13.168
   95    H    GLY  14           H        GLY  14   7.997   0.086 -12.134
   96   1HA   GLY  14          2HA       GLY  14   5.828  -1.631 -11.859
   97   2HA   GLY  14          3HA       GLY  14   7.529  -2.067 -11.568
   98    H    CYS  15           HN       CYS  15   7.395   0.159  -9.260
   99    HA   CYS  15           HA       CYS  15   6.714  -1.564  -7.078
  100   1HB   CYS  15          2HB       CYS  15   6.852   1.445  -7.297
  101   2HB   CYS  15          3HB       CYS  15   6.652   0.537  -5.785
  102    H    ALA  16           H        ALA  16   4.779   0.702  -9.096
  103    HA   ALA  16           HA       ALA  16   2.402   0.617  -7.484
  104   1HB   ALA  16          1HB       ALA  16   2.658   2.311  -9.171
  105   2HB   ALA  16          2HB       ALA  16   2.771   1.089 -10.468
  106   3HB   ALA  16          3HB       ALA  16   1.257   1.295  -9.578
  107    H    GLU  17           H        GLU  17   3.480  -1.338 -10.333
  108    HA   GLU  17           HA       GLU  17   1.251  -3.069 -10.465
  109   1HB   GLU  17          2HB       GLU  17   4.185  -3.879 -10.807
  110   2HB   GLU  17          3HB       GLU  17   2.712  -4.766 -11.241
  111   1HG   GLU  17          2HG       GLU  17   2.258  -3.271 -13.058
  112   2HG   GLU  17          3HG       GLU  17   3.666  -2.276 -12.629
  113    H    ALA  18           H        ALA  18   4.334  -3.365  -8.664
  114    HA   ALA  18           HA       ALA  18   3.969  -5.878  -7.499
  115   1HB   ALA  18          1HB       ALA  18   5.667  -5.178  -5.892
  116   2HB   ALA  18          2HB       ALA  18   6.099  -4.625  -7.527
  117   3HB   ALA  18          3HB       ALA  18   5.425  -3.479  -6.345
  118    H    VAL  19           H        VAL  19   3.198  -2.621  -6.084
  119    HA   VAL  19           HA       VAL  19   2.136  -3.737  -3.708
  120    HB   VAL  19           HB       VAL  19   1.723  -1.049  -5.094
  121   1HG1  VAL  19          1HG1      VAL  19   0.758  -2.321  -2.538
  122   2HG1  VAL  19          2HG1      VAL  19   0.994  -0.549  -2.611
  123   3HG1  VAL  19          3HG1      VAL  19  -0.130  -1.323  -3.740
  124   1HG2  VAL  19          1HG2      VAL  19   3.299  -1.597  -2.556
  125   2HG2  VAL  19          2HG2      VAL  19   4.086  -1.665  -4.147
  126   3HG2  VAL  19          3HG2      VAL  19   3.315  -0.169  -3.596
  127    H    SER  20           H        SER  20   0.570  -2.593  -6.752
  128    HA   SER  20           HA       SER  20  -2.110  -2.970  -5.924
  129   1HB   SER  20          2HB       SER  20  -1.265  -1.912  -8.080
  130   2HB   SER  20          3HB       SER  20  -0.822  -3.480  -8.697
  131    HG   SER  20           HG       SER  20  -3.490  -3.162  -7.911
  132    H    ARG  21           H        ARG  21   0.062  -5.192  -7.484
  133    HA   ARG  21           HA       ARG  21  -1.499  -7.563  -7.533
  134   1HB   ARG  21          2HB       ARG  21   0.328  -7.779  -8.823
  135   2HB   ARG  21          3HB       ARG  21   1.309  -6.758  -7.795
  136   1HG   ARG  21          2HG       ARG  21   2.108  -8.374  -6.464
  137   2HG   ARG  21          3HG       ARG  21   0.904  -9.574  -6.933
  138   1HD   ARG  21          2HD       ARG  21   3.168  -9.907  -8.061
  139   2HD   ARG  21          3HD       ARG  21   1.824  -9.696  -9.201
  140    HE   ARG  21           HE       ARG  21   3.124  -7.206  -8.499
  141   1HH1  ARG  21          2HH2      ARG  21   3.368  -9.887 -10.799
  142   2HH1  ARG  21          1HH2      ARG  21   4.089  -8.901 -12.042
  143   1HH2  ARG  21          2HH1      ARG  21   4.240  -5.987 -10.051
  144   2HH2  ARG  21          1HH1      ARG  21   4.311  -6.506 -11.686
  145    H    VAL  22           H        VAL  22   0.827  -6.492  -4.968
  146    HA   VAL  22           HA       VAL  22   0.412  -8.751  -3.323
  147    HB   VAL  22           HB       VAL  22   2.161  -6.698  -3.379
  148   1HG1  VAL  22          1HG1      VAL  22   0.661  -4.993  -2.244
  149   2HG1  VAL  22          2HG1      VAL  22   0.486  -6.095  -0.869
  150   3HG1  VAL  22          3HG1      VAL  22   2.052  -5.409  -1.285
  151   1HG2  VAL  22          1HG2      VAL  22   3.052  -7.433  -1.284
  152   2HG2  VAL  22          2HG2      VAL  22   1.531  -8.294  -0.924
  153   3HG2  VAL  22          3HG2      VAL  22   2.556  -8.809  -2.305
  154    H    LEU  23           H        LEU  23  -1.137  -5.621  -3.445
  155    HA   LEU  23           HA       LEU  23  -2.860  -6.047  -1.132
  156   1HB   LEU  23          2HB       LEU  23  -2.405  -3.905  -3.194
  157   2HB   LEU  23          3HB       LEU  23  -3.870  -3.832  -2.327
  158    HG   LEU  23           HG       LEU  23  -1.056  -3.938  -1.118
  159   1HD1  LEU  23          1HD1      LEU  23  -3.040  -1.646  -1.133
  160   2HD1  LEU  23          2HD1      LEU  23  -1.293  -1.637  -0.682
  161   3HD1  LEU  23          3HD1      LEU  23  -1.796  -1.820  -2.379
  162   1HD2  LEU  23          1HD2      LEU  23  -2.377  -3.130   0.943
  163   2HD2  LEU  23          2HD2      LEU  23  -3.826  -3.668   0.055
  164   3HD2  LEU  23          3HD2      LEU  23  -2.572  -4.834   0.544
  165    H    ASN  24           H        ASN  24  -3.190  -6.454  -4.689
  166    HA   ASN  24           HA       ASN  24  -6.010  -6.966  -4.585
  167   1HB   ASN  24          2HB       ASN  24  -4.878  -6.608  -6.719
  168   2HB   ASN  24          3HB       ASN  24  -3.910  -8.074  -6.490
  169   1HD2  ASN  24          1HD2      ASN  24  -7.151  -8.549  -5.275
  170   2HD2  ASN  24          2HD2      ASN  24  -7.743  -9.319  -6.730
  171    H    LYS  25           H        LYS  25  -3.094  -9.006  -4.129
  172    HA   LYS  25           HA       LYS  25  -4.430 -11.379  -3.507
  173   1HB   LYS  25          2HB       LYS  25  -1.773 -10.513  -3.412
  174   2HB   LYS  25          3HB       LYS  25  -2.106 -10.933  -1.733
  175   1HG   LYS  25          2HG       LYS  25  -2.524 -12.719  -4.175
  176   2HG   LYS  25          3HG       LYS  25  -1.190 -12.827  -3.018
  177   1HD   LYS  25          2HD       LYS  25  -2.839 -13.302  -1.188
  178   2HD   LYS  25          3HD       LYS  25  -4.145 -13.290  -2.385
  179   1HE   LYS  25          2HE       LYS  25  -3.016 -15.139  -3.634
  180   2HE   LYS  25          3HE       LYS  25  -1.795 -15.230  -2.354
  181   1HZ   LYS  25          1HZ       LYS  25  -3.541 -16.839  -2.047
  182   2HZ   LYS  25          2HZ       LYS  25  -3.570 -15.760  -0.807
  183   3HZ   LYS  25          3HZ       LYS  25  -4.693 -15.669  -2.006
  184    H    LEU  26           H        LEU  26  -4.075  -8.491  -1.479
  185    HA   LEU  26           HA       LEU  26  -5.237  -9.576   0.927
  186   1HB   LEU  26          2HB       LEU  26  -4.069  -7.231   0.476
  187   2HB   LEU  26          3HB       LEU  26  -5.690  -6.727   0.006
  188    HG   LEU  26           HG       LEU  26  -5.519  -6.002   2.102
  189   1HD1  LEU  26          1HD1      LEU  26  -7.201  -7.177   3.357
  190   2HD1  LEU  26          2HD1      LEU  26  -7.617  -7.199   1.625
  191   3HD1  LEU  26          3HD1      LEU  26  -6.948  -8.653   2.435
  192   1HD2  LEU  26          1HD2      LEU  26  -3.545  -7.118   2.834
  193   2HD2  LEU  26          2HD2      LEU  26  -4.813  -7.253   4.049
  194   3HD2  LEU  26          3HD2      LEU  26  -4.416  -8.662   3.036
  195    H    GLY  27           H        GLY  27  -6.577  -7.718  -1.837
  196   1HA   GLY  27          2HA       GLY  27  -8.429  -8.418  -3.138
  197   2HA   GLY  27          3HA       GLY  27  -9.038  -9.401  -1.809
  198    H    GLY  28           H        GLY  28  -9.667  -8.167   0.213
  199   1HA   GLY  28          2HA       GLY  28 -11.807  -6.363  -0.598
  200   2HA   GLY  28          3HA       GLY  28 -11.438  -6.916   1.041
  201    H    VAL  29           H        VAL  29  -9.821  -5.003  -1.502
  202    HA   VAL  29           HA       VAL  29  -9.518  -2.676   0.349
  203    HB   VAL  29           HB       VAL  29  -7.179  -2.387  -0.513
  204   1HG1  VAL  29          1HG1      VAL  29  -7.557  -3.406   1.676
  205   2HG1  VAL  29          2HG1      VAL  29  -7.645  -5.028   0.928
  206   3HG1  VAL  29          3HG1      VAL  29  -6.133  -4.118   0.875
  207   1HG2  VAL  29          1HG2      VAL  29  -7.366  -3.935  -2.543
  208   2HG2  VAL  29          2HG2      VAL  29  -5.955  -4.187  -1.495
  209   3HG2  VAL  29          3HG2      VAL  29  -7.340  -5.302  -1.384
  210    H    LYS  30           H        LYS  30  -9.319  -0.654  -0.708
  211    HA   LYS  30           HA       LYS  30  -8.978  -0.788  -3.628
  212   1HB   LYS  30          2HB       LYS  30 -11.233   0.421  -2.578
  213   2HB   LYS  30          3HB       LYS  30 -10.103   1.769  -2.588
  214   1HG   LYS  30          2HG       LYS  30 -10.966   0.028  -4.935
  215   2HG   LYS  30          3HG       LYS  30 -11.463   1.677  -4.590
  216   1HD   LYS  30          2HD       LYS  30  -9.888   2.357  -6.040
  217   2HD   LYS  30          3HD       LYS  30  -8.748   2.082  -4.768
  218   1HE   LYS  30          2HE       LYS  30  -7.903   1.043  -6.761
  219   2HE   LYS  30          3HE       LYS  30  -8.397  -0.294  -5.720
  220   1HZ   LYS  30          1HZ       LYS  30  -9.954   0.816  -7.957
  221   2HZ   LYS  30          2HZ       LYS  30  -9.110  -0.595  -7.964
  222   3HZ   LYS  30          3HZ       LYS  30 -10.431  -0.438  -7.000
  223    H    TYR  31           H        TYR  31  -7.280   0.636  -4.267
  224    HA   TYR  31           HA       TYR  31  -5.916   2.194  -2.198
  225   1HB   TYR  31          2HB       TYR  31  -3.748   1.313  -3.332
  226   2HB   TYR  31          3HB       TYR  31  -4.538   0.334  -2.103
  227    HD1  TYR  31           HD1      TYR  31  -4.261   0.720  -5.817
  228    HD2  TYR  31           HD2      TYR  31  -5.342  -1.864  -2.554
  229    HE1  TYR  31           HE1      TYR  31  -4.374  -1.193  -7.380
  230    HE2  TYR  31           HE2      TYR  31  -5.413  -3.799  -4.117
  231    HH   TYR  31           HH       TYR  31  -4.340  -4.482  -6.222
  232    H    ASP  32           H        ASP  32  -5.240   4.119  -2.982
  233    HA   ASP  32           HA       ASP  32  -5.220   4.505  -5.942
  234   1HB   ASP  32          2HB       ASP  32  -6.727   6.111  -4.729
  235   2HB   ASP  32          3HB       ASP  32  -5.324   6.671  -3.804
  236    H    ILE  33           H        ILE  33  -3.276   5.704  -6.643
  237    HA   ILE  33           HA       ILE  33  -0.838   4.844  -5.123
  238    HB   ILE  33           HB       ILE  33  -1.932   3.884  -7.779
  239   1HG1  ILE  33          2HG1      ILE  33  -0.524   2.190  -5.688
  240   2HG1  ILE  33          3HG1      ILE  33  -2.210   2.655  -5.444
  241   1HG2  ILE  33          1HG2      ILE  33   0.965   3.845  -6.885
  242   2HG2  ILE  33          2HG2      ILE  33   0.306   2.828  -8.181
  243   3HG2  ILE  33          3HG2      ILE  33   0.280   4.579  -8.355
  244   1HD1  ILE  33          1HD1      ILE  33  -2.025   0.464  -6.540
  245   2HD1  ILE  33          2HD1      ILE  33  -2.938   1.653  -7.494
  246   3HD1  ILE  33          3HD1      ILE  33  -1.270   1.222  -7.949
  247    H    ASP  34           H        ASP  34   0.534   6.532  -5.130
  248    HA   ASP  34           HA       ASP  34   0.525   8.447  -7.433
  249   1HB   ASP  34          2HB       ASP  34  -0.342   9.397  -5.310
  250   2HB   ASP  34          3HB       ASP  34   1.186   8.958  -4.522
  251    H    LEU  35           H        LEU  35   2.290   8.134  -8.614
  252    HA   LEU  35           HA       LEU  35   4.701   6.874  -7.621
  253   1HB   LEU  35          2HB       LEU  35   3.648   7.830 -10.253
  254   2HB   LEU  35          3HB       LEU  35   5.387   7.960 -10.049
  255    HG   LEU  35           HG       LEU  35   4.674   5.935 -11.181
  256   1HD1  LEU  35          1HD1      LEU  35   6.152   5.522  -8.551
  257   2HD1  LEU  35          2HD1      LEU  35   6.075   4.308  -9.825
  258   3HD1  LEU  35          3HD1      LEU  35   6.844   5.875 -10.143
  259   1HD2  LEU  35          1HD2      LEU  35   2.586   5.426 -10.021
  260   2HD2  LEU  35          2HD2      LEU  35   3.710   4.050 -10.065
  261   3HD2  LEU  35          3HD2      LEU  35   3.495   4.971  -8.563
  262    HA   PRO  36           HA       PRO  36   6.816  11.059  -8.384
  263   1HB   PRO  36          2HB       PRO  36   5.306  13.402  -8.204
  264   2HB   PRO  36          3HB       PRO  36   5.793  12.580  -9.713
  265   1HG   PRO  36          2HG       PRO  36   3.181  12.319  -8.214
  266   2HG   PRO  36          3HG       PRO  36   3.419  12.553  -9.970
  267   1HD   PRO  36          2HD       PRO  36   2.920  10.125  -8.994
  268   2HD   PRO  36          3HD       PRO  36   4.188  10.300 -10.236
  269    H    ASN  37           H        ASN  37   4.021  10.994  -6.159
  270    HA   ASN  37           HA       ASN  37   5.720  12.177  -3.991
  271   1HB   ASN  37          2HB       ASN  37   2.762  11.526  -3.932
  272   2HB   ASN  37          3HB       ASN  37   3.708  12.328  -2.687
  273   1HD2  ASN  37          1HD2      ASN  37   1.755  12.909  -5.433
  274   2HD2  ASN  37          2HD2      ASN  37   2.197  14.605  -5.640
  275    H    LYS  38           H        LYS  38   5.355   9.209  -5.318
  276    HA   LYS  38           HA       LYS  38   5.490   7.076  -4.653
  277   1HB   LYS  38          2HB       LYS  38   7.540   6.641  -3.599
  278   2HB   LYS  38          3HB       LYS  38   7.688   7.959  -4.739
  279   1HG   LYS  38          2HG       LYS  38   7.654   9.597  -2.837
  280   2HG   LYS  38          3HG       LYS  38   7.679   8.240  -1.705
  281   1HD   LYS  38          2HD       LYS  38   9.774   8.899  -3.836
  282   2HD   LYS  38          3HD       LYS  38   9.915   9.233  -2.099
  283   1HE   LYS  38          2HE       LYS  38   9.727   6.774  -1.637
  284   2HE   LYS  38          3HE       LYS  38   9.712   6.467  -3.388
  285   1HZ   LYS  38          1HZ       LYS  38  11.960   7.623  -1.905
  286   2HZ   LYS  38          2HZ       LYS  38  11.851   6.114  -2.528
  287   3HZ   LYS  38          3HZ       LYS  38  11.898   7.391  -3.544
  288    H    LYS  39           H        LYS  39   3.251   7.279  -3.796
  289    HA   LYS  39           HA       LYS  39   3.170   6.207  -1.069
  290   1HB   LYS  39          2HB       LYS  39   1.854   8.767  -2.124
  291   2HB   LYS  39          3HB       LYS  39   1.139   7.902  -0.776
  292   1HG   LYS  39          2HG       LYS  39   2.921   8.371   0.677
  293   2HG   LYS  39          3HG       LYS  39   4.004   8.874  -0.622
  294   1HD   LYS  39          2HD       LYS  39   2.600  10.784  -1.172
  295   2HD   LYS  39          3HD       LYS  39   1.423  10.351   0.073
  296   1HE   LYS  39          2HE       LYS  39   4.361  10.964   0.679
  297   2HE   LYS  39          3HE       LYS  39   3.109  12.216   0.623
  298   1HZ   LYS  39          1HZ       LYS  39   2.957   9.878   2.428
  299   2HZ   LYS  39          2HZ       LYS  39   3.418  11.405   2.892
  300   3HZ   LYS  39          3HZ       LYS  39   1.898  11.029   2.343
  301    H    VAL  40           H        VAL  40   1.158   5.267  -0.492
  302    HA   VAL  40           HA       VAL  40  -0.730   4.729  -2.694
  303    HB   VAL  40           HB       VAL  40   0.265   2.714  -0.626
  304   1HG1  VAL  40          1HG1      VAL  40  -0.973   1.102  -1.980
  305   2HG1  VAL  40          2HG1      VAL  40  -2.058   2.438  -1.538
  306   3HG1  VAL  40          3HG1      VAL  40  -1.374   2.364  -3.170
  307   1HG2  VAL  40          1HG2      VAL  40   1.020   3.001  -3.564
  308   2HG2  VAL  40          2HG2      VAL  40   2.105   3.188  -2.163
  309   3HG2  VAL  40          3HG2      VAL  40   1.411   1.612  -2.534
  310    H    CYS  41           H        CYS  41  -2.770   5.209  -2.005
  311    HA   CYS  41           HA       CYS  41  -3.311   5.666   0.929
  312   1HB   CYS  41          2HB       CYS  41  -4.616   6.825  -1.572
  313   2HB   CYS  41          3HB       CYS  41  -5.250   7.006   0.075
  314    HG   CYS  41           HG       CYS  41  -2.290   7.905  -1.040
  315    H    ILE  42           H        ILE  42  -4.075   3.817   1.718
  316    HA   ILE  42           HA       ILE  42  -5.710   2.164  -0.075
  317    HB   ILE  42           HB       ILE  42  -4.513   1.271   2.564
  318   1HG1  ILE  42          2HG1      ILE  42  -3.325   1.137  -0.222
  319   2HG1  ILE  42          3HG1      ILE  42  -2.702   2.083   1.148
  320   1HG2  ILE  42          1HG2      ILE  42  -4.838  -1.000   1.411
  321   2HG2  ILE  42          2HG2      ILE  42  -6.352  -0.140   1.664
  322   3HG2  ILE  42          3HG2      ILE  42  -5.579  -0.159   0.063
  323   1HD1  ILE  42          1HD1      ILE  42  -1.372   0.165   0.647
  324   2HD1  ILE  42          2HD1      ILE  42  -1.920   0.180   2.315
  325   3HD1  ILE  42          3HD1      ILE  42  -2.661  -0.926   1.142
  326    H    GLU  43           H        GLU  43  -7.772   1.431   0.537
  327    HA   GLU  43           HA       GLU  43  -9.049   2.633   2.916
  328   1HB   GLU  43          2HB       GLU  43  -9.222   4.074   0.800
  329   2HB   GLU  43          3HB       GLU  43 -10.236   2.807   0.109
  330   1HG   GLU  43          2HG       GLU  43 -11.920   3.117   1.818
  331   2HG   GLU  43          3HG       GLU  43 -10.838   4.105   2.804
  332    H    SER  44           H        SER  44 -10.417   1.151   3.897
  333    HA   SER  44           HA       SER  44 -11.448  -1.146   2.429
  334   1HB   SER  44          2HB       SER  44  -9.110  -1.827   2.743
  335   2HB   SER  44          3HB       SER  44  -9.222  -1.481   4.476
  336    HG   SER  44           HG       SER  44  -9.892  -3.731   3.175
  337    H    GLU  45           H        GLU  45 -12.107  -2.774   4.233
  338    HA   GLU  45           HA       GLU  45 -13.739  -1.440   6.329
  339   1HB   GLU  45          2HB       GLU  45 -14.661  -3.769   6.623
  340   2HB   GLU  45          3HB       GLU  45 -15.070  -2.958   5.109
  341   1HG   GLU  45          2HG       GLU  45 -13.430  -4.271   3.871
  342   2HG   GLU  45          3HG       GLU  45 -12.831  -5.008   5.372
  343    H    HIS  46           H        HIS  46 -10.968  -3.631   5.747
  344    HA   HIS  46           HA       HIS  46 -10.914  -4.509   8.533
  345   1HB   HIS  46          2HB       HIS  46  -8.945  -5.815   7.863
  346   2HB   HIS  46          3HB       HIS  46 -10.299  -6.043   6.752
  347    HD1  HIS  46           1HD      HIS  46  -7.549  -3.266   6.710
  348    HD2  HIS  46           2HD      HIS  46  -9.371  -6.243   4.326
  349    HE1  HIS  46           1HE      HIS  46  -6.929  -2.800   4.326
  350    H    SER  47           H        SER  47  -8.615  -4.529   9.604
  351    HA   SER  47           HA       SER  47  -7.956  -1.750  10.152
  352   1HB   SER  47          2HB       SER  47  -8.038  -3.599  11.893
  353   2HB   SER  47          3HB       SER  47  -6.512  -4.197  11.202
  354    HG   SER  47           HG       SER  47  -5.709  -2.778  12.546
  355    H    MET  48           H        MET  48  -5.670  -1.337  10.594
  356    HA   MET  48           HA       MET  48  -4.223  -0.923   8.121
  357   1HB   MET  48          2HB       MET  48  -2.631   0.227   9.519
  358   2HB   MET  48          3HB       MET  48  -4.254   0.630  10.107
  359   1HG   MET  48          2HG       MET  48  -3.882  -1.411  11.704
  360   2HG   MET  48          3HG       MET  48  -2.165  -1.171  11.333
  361   1HE   MET  48          1HE       MET  48  -1.731  -1.107  13.903
  362   2HE   MET  48          2HE       MET  48  -2.608  -0.051  15.036
  363   3HE   MET  48          3HE       MET  48  -3.461  -1.374  14.205
  364    H    ASP  49           H        ASP  49  -4.140  -3.261  10.782
  365    HA   ASP  49           HA       ASP  49  -1.492  -4.124  10.515
  366   1HB   ASP  49          2HB       ASP  49  -3.823  -5.817  11.506
  367   2HB   ASP  49          3HB       ASP  49  -2.122  -5.915  11.983
  368    H    THR  50           H        THR  50  -4.507  -5.526   9.282
  369    HA   THR  50           HA       THR  50  -3.667  -7.743   7.896
  370    HB   THR  50           HB       THR  50  -5.809  -5.902   6.794
  371    HG1  THR  50           1HG      THR  50  -6.013  -7.258   9.275
  372   1HG2  THR  50          1HG2      THR  50  -7.115  -7.966   6.706
  373   2HG2  THR  50          2HG2      THR  50  -5.543  -8.258   5.939
  374   3HG2  THR  50          3HG2      THR  50  -5.850  -8.858   7.576
  375    H    LEU  51           H        LEU  51  -3.798  -4.324   6.826
  376    HA   LEU  51           HA       LEU  51  -2.756  -4.778   4.166
  377   1HB   LEU  51          2HB       LEU  51  -2.658  -2.269   5.897
  378   2HB   LEU  51          3HB       LEU  51  -2.141  -2.419   4.220
  379    HG   LEU  51           HG       LEU  51  -4.948  -2.675   5.359
  380   1HD1  LEU  51          1HD1      LEU  51  -3.967  -0.451   4.922
  381   2HD1  LEU  51          2HD1      LEU  51  -3.569  -0.960   3.265
  382   3HD1  LEU  51          3HD1      LEU  51  -5.278  -0.799   3.775
  383   1HD2  LEU  51          1HD2      LEU  51  -5.463  -2.939   2.761
  384   2HD2  LEU  51          2HD2      LEU  51  -3.795  -3.460   2.627
  385   3HD2  LEU  51          3HD2      LEU  51  -4.926  -4.388   3.636
  386    H    LEU  52           H        LEU  52  -1.211  -3.373   7.062
  387    HA   LEU  52           HA       LEU  52   1.336  -3.039   6.312
  388   1HB   LEU  52          2HB       LEU  52   0.008  -3.674   8.796
  389   2HB   LEU  52          3HB       LEU  52   1.676  -4.264   8.739
  390    HG   LEU  52           HG       LEU  52   0.939  -1.420   7.950
  391   1HD1  LEU  52          1HD1      LEU  52  -0.009  -1.747  10.085
  392   2HD1  LEU  52          2HD1      LEU  52   1.505  -2.451  10.717
  393   3HD1  LEU  52          3HD1      LEU  52   1.440  -0.731  10.230
  394   1HD2  LEU  52          1HD2      LEU  52   3.298  -0.987   8.607
  395   2HD2  LEU  52          2HD2      LEU  52   3.489  -2.685   9.086
  396   3HD2  LEU  52          3HD2      LEU  52   3.232  -2.270   7.378
  397    H    ALA  53           H        ALA  53   0.231  -6.152   7.724
  398    HA   ALA  53           HA       ALA  53   2.659  -7.558   7.350
  399   1HB   ALA  53          1HB       ALA  53  -0.205  -8.623   7.422
  400   2HB   ALA  53          2HB       ALA  53   1.268  -9.583   7.682
  401   3HB   ALA  53          3HB       ALA  53   0.826  -8.306   8.834
  402    H    THR  54           H        THR  54  -0.150  -7.165   5.117
  403    HA   THR  54           HA       THR  54   0.870  -9.056   3.219
  404    HB   THR  54           HB       THR  54  -1.200  -6.840   2.920
  405    HG1  THR  54           1HG      THR  54  -1.964  -8.160   4.471
  406   1HG2  THR  54          1HG2      THR  54  -0.815  -9.444   1.404
  407   2HG2  THR  54          2HG2      THR  54  -2.092  -8.253   1.150
  408   3HG2  THR  54          3HG2      THR  54  -0.419  -7.820   0.763
  409    H    LEU  55           H        LEU  55   1.013  -5.496   3.633
  410    HA   LEU  55           HA       LEU  55   1.955  -4.969   1.004
  411   1HB   LEU  55          2HB       LEU  55   0.869  -3.548   3.250
  412   2HB   LEU  55          3HB       LEU  55   2.425  -2.787   2.854
  413    HG   LEU  55           HG       LEU  55  -0.054  -2.977   1.241
  414   1HD1  LEU  55          1HD1      LEU  55   0.081  -1.158   2.861
  415   2HD1  LEU  55          2HD1      LEU  55   1.762  -0.793   2.413
  416   3HD1  LEU  55          3HD1      LEU  55   0.489  -0.434   1.287
  417   1HD2  LEU  55          1HD2      LEU  55   1.599  -3.360  -0.419
  418   2HD2  LEU  55          2HD2      LEU  55   1.305  -1.616  -0.434
  419   3HD2  LEU  55          3HD2      LEU  55   2.766  -2.262   0.361
  420    H    LYS  56           H        LYS  56   3.486  -5.295   4.213
  421    HA   LYS  56           HA       LYS  56   6.119  -4.641   3.847
  422   1HB   LYS  56          2HB       LYS  56   4.525  -6.519   5.465
  423   2HB   LYS  56          3HB       LYS  56   6.047  -7.232   5.038
  424   1HG   LYS  56          2HG       LYS  56   6.140  -6.215   7.132
  425   2HG   LYS  56          3HG       LYS  56   7.305  -5.430   6.067
  426   1HD   LYS  56          2HD       LYS  56   4.565  -4.286   6.851
  427   2HD   LYS  56          3HD       LYS  56   6.054  -4.019   7.763
  428   1HE   LYS  56          2HE       LYS  56   7.032  -3.148   5.478
  429   2HE   LYS  56          3HE       LYS  56   5.319  -2.948   5.029
  430   1HZ   LYS  56          1HZ       LYS  56   5.085  -1.511   6.950
  431   2HZ   LYS  56          2HZ       LYS  56   6.681  -1.697   7.321
  432   3HZ   LYS  56          3HZ       LYS  56   6.238  -0.959   5.927
  433    H    LYS  57           H        LYS  57   4.501  -7.466   2.383
  434    HA   LYS  57           HA       LYS  57   6.937  -8.764   1.665
  435   1HB   LYS  57          2HB       LYS  57   4.193  -9.029   0.428
  436   2HB   LYS  57          3HB       LYS  57   5.539 -10.158   0.231
  437   1HG   LYS  57          2HG       LYS  57   5.640 -10.481   2.700
  438   2HG   LYS  57          3HG       LYS  57   4.164  -9.554   2.916
  439   1HD   LYS  57          2HD       LYS  57   4.276 -11.980   1.062
  440   2HD   LYS  57          3HD       LYS  57   4.105 -12.168   2.803
  441   1HE   LYS  57          2HE       LYS  57   1.926 -12.223   1.626
  442   2HE   LYS  57          3HE       LYS  57   2.035 -10.996   2.893
  443   1HZ   LYS  57          1HZ       LYS  57   1.003 -10.219   0.821
  444   2HZ   LYS  57          2HZ       LYS  57   2.310  -9.317   1.242
  445   3HZ   LYS  57          3HZ       LYS  57   2.429 -10.427   0.029
  446    H    THR  58           H        THR  58   5.548  -5.931   0.224
  447    HA   THR  58           HA       THR  58   6.738  -6.211  -2.435
  448    HB   THR  58           HB       THR  58   6.591  -3.795  -2.504
  449    HG1  THR  58           1HG      THR  58   5.600  -3.855   0.158
  450   1HG2  THR  58          1HG2      THR  58   4.185  -5.073  -1.189
  451   2HG2  THR  58          2HG2      THR  58   4.169  -3.559  -2.106
  452   3HG2  THR  58          3HG2      THR  58   4.558  -5.089  -2.928
  453    H    GLY  59           H        GLY  59   7.844  -5.357   0.782
  454   1HA   GLY  59          2HA       GLY  59   9.791  -4.982   1.666
  455   2HA   GLY  59          3HA       GLY  59  10.529  -6.035   0.430
  456    H    LYS  60           H        LYS  60   8.842  -2.971  -0.130
  457    HA   LYS  60           HA       LYS  60  11.331  -1.568  -0.986
  458   1HB   LYS  60          2HB       LYS  60   8.524  -0.458  -0.679
  459   2HB   LYS  60          3HB       LYS  60   9.850   0.229  -1.596
  460   1HG   LYS  60          2HG       LYS  60   8.092  -2.127  -2.262
  461   2HG   LYS  60          3HG       LYS  60   8.340  -0.659  -3.199
  462   1HD   LYS  60          2HD       LYS  60  10.308  -2.969  -2.848
  463   2HD   LYS  60          3HD       LYS  60   9.348  -2.629  -4.264
  464   1HE   LYS  60          2HE       LYS  60  10.903  -0.243  -3.514
  465   2HE   LYS  60          3HE       LYS  60  11.972  -1.643  -3.639
  466   1HZ   LYS  60          1HZ       LYS  60  11.715  -0.390  -5.712
  467   2HZ   LYS  60          2HZ       LYS  60  11.179  -1.940  -5.892
  468   3HZ   LYS  60          3HZ       LYS  60  10.126  -0.678  -5.736
  469    H    THR  61           H        THR  61  11.392   0.799   0.243
  470    HA   THR  61           HA       THR  61  11.217   0.394   3.096
  471    HB   THR  61           HB       THR  61  11.424   3.069   1.866
  472    HG1  THR  61           1HG      THR  61  13.174   2.562   0.803
  473   1HG2  THR  61          1HG2      THR  61  13.092   3.408   3.628
  474   2HG2  THR  61          2HG2      THR  61  11.564   2.825   4.318
  475   3HG2  THR  61          3HG2      THR  61  12.940   1.710   4.122
  476    H    VAL  62           H        VAL  62   8.901  -0.409   2.517
  477    HA   VAL  62           HA       VAL  62   6.893   1.598   1.968
  478    HB   VAL  62           HB       VAL  62   6.429  -0.374   0.979
  479   1HG1  VAL  62          1HG1      VAL  62   7.715  -2.065   2.002
  480   2HG1  VAL  62          2HG1      VAL  62   6.977  -1.795   3.590
  481   3HG1  VAL  62          3HG1      VAL  62   6.045  -2.551   2.280
  482   1HG2  VAL  62          1HG2      VAL  62   4.256  -0.973   1.736
  483   2HG2  VAL  62          2HG2      VAL  62   4.603  -0.493   3.401
  484   3HG2  VAL  62          3HG2      VAL  62   4.487   0.740   2.126
  485    H    SER  63           H        SER  63   6.845   3.070   3.391
  486    HA   SER  63           HA       SER  63   6.970   2.580   6.295
  487   1HB   SER  63          2HB       SER  63   6.952   5.149   4.656
  488   2HB   SER  63          3HB       SER  63   7.348   4.996   6.379
  489    HG   SER  63           HG       SER  63   8.756   3.746   4.212
  490    H    TYR  64           H        TYR  64   5.166   2.680   7.544
  491    HA   TYR  64           HA       TYR  64   2.519   3.039   6.277
  492   1HB   TYR  64          2HB       TYR  64   2.768   1.043   7.524
  493   2HB   TYR  64          3HB       TYR  64   3.629   1.852   8.829
  494    HD1  TYR  64           HD1      TYR  64   0.271   2.165   7.127
  495    HD2  TYR  64           HD2      TYR  64   2.495   2.195  10.822
  496    HE1  TYR  64           HE1      TYR  64  -1.829   2.456   8.407
  497    HE2  TYR  64           HE2      TYR  64   0.404   2.554  12.080
  498    HH   TYR  64           HH       TYR  64  -1.885   2.729  11.955
  499    H    LEU  65           H        LEU  65   1.293   4.893   6.593
  500    HA   LEU  65           HA       LEU  65   2.138   6.789   8.769
  501   1HB   LEU  65          2HB       LEU  65   1.045   7.371   6.050
  502   2HB   LEU  65          3HB       LEU  65   1.143   8.507   7.394
  503    HG   LEU  65           HG       LEU  65   3.704   7.743   7.456
  504   1HD1  LEU  65          1HD1      LEU  65   3.635   6.063   5.782
  505   2HD1  LEU  65          2HD1      LEU  65   2.801   7.109   4.622
  506   3HD1  LEU  65          3HD1      LEU  65   4.497   7.433   5.073
  507   1HD2  LEU  65          1HD2      LEU  65   4.181   9.669   5.986
  508   2HD2  LEU  65          2HD2      LEU  65   2.482   9.652   5.437
  509   3HD2  LEU  65          3HD2      LEU  65   2.873   9.984   7.147
  510    H    GLY  66           H        GLY  66   0.700   5.435  10.114
  511   1HA   GLY  66          2HA       GLY  66  -1.123   5.469  11.467
  512   2HA   GLY  66          3HA       GLY  66  -1.406   7.071  10.779
  513    H    LEU  67           H        LEU  67  -3.579   6.305  11.518
  514    HA   LEU  67           HA       LEU  67  -5.129   5.000   9.335
  515   1HB   LEU  67          2HB       LEU  67  -5.488   5.268  12.333
  516   2HB   LEU  67          3HB       LEU  67  -6.917   5.239  11.310
  517    HG   LEU  67           HG       LEU  67  -4.835   3.071  10.980
  518   1HD1  LEU  67          1HD1      LEU  67  -5.333   3.103  13.391
  519   2HD1  LEU  67          2HD1      LEU  67  -7.078   3.118  13.048
  520   3HD1  LEU  67          3HD1      LEU  67  -6.097   1.700  12.622
  521   1HD2  LEU  67          1HD2      LEU  67  -7.884   3.126  10.697
  522   2HD2  LEU  67          2HD2      LEU  67  -6.758   3.328   9.350
  523   3HD2  LEU  67          3HD2      LEU  67  -6.811   1.791  10.247
  524    H    GLU  68           H        GLU  68  -6.544   6.335   8.311
  525    HA   GLU  68           HA       GLU  68  -6.808   9.188   9.121
  526   1HB   GLU  68          2HB       GLU  68  -7.908   7.657   6.742
  527   2HB   GLU  68          3HB       GLU  68  -7.968   9.402   6.975
  528   1HG   GLU  68          2HG       GLU  68  -5.527   9.550   6.741
  529   2HG   GLU  68          3HG       GLU  68  -5.383   7.786   6.656
  Start of MODEL   12
    1   1H    MET   1           H1       MET   1 -12.224   7.853   9.174
    2   2H    MET   1           H2       MET   1 -13.213   7.195  10.282
    3   3H    MET   1           H3       MET   1 -11.750   6.515   9.872
    4    HA   MET   1           HA       MET   1 -13.809   5.397   8.987
    5   1HB   MET   1          2HB       MET   1 -14.535   6.323   6.776
    6   2HB   MET   1          3HB       MET   1 -15.083   7.179   8.221
    7   1HG   MET   1          2HG       MET   1 -13.391   8.933   7.870
    8   2HG   MET   1          3HG       MET   1 -12.808   8.091   6.422
    9   1HE   MET   1          1HE       MET   1 -13.478  11.123   6.561
   10   2HE   MET   1          2HE       MET   1 -12.922  10.289   5.092
   11   3HE   MET   1          3HE       MET   1 -14.363  11.333   5.029
   12    HA   PRO   2           HA       PRO   2  -9.885   4.057   8.672
   13   1HB   PRO   2          2HB       PRO   2 -10.082   1.405   7.726
   14   2HB   PRO   2          3HB       PRO   2 -10.366   2.002   9.382
   15   1HG   PRO   2          2HG       PRO   2 -12.388   1.576   7.179
   16   2HG   PRO   2          3HG       PRO   2 -12.499   1.059   8.889
   17   1HD   PRO   2          2HD       PRO   2 -13.751   3.279   8.086
   18   2HD   PRO   2          3HD       PRO   2 -12.804   3.340   9.610
   19    H    LYS   3           H        LYS   3  -8.901   5.451   7.242
   20    HA   LYS   3           HA       LYS   3  -7.899   3.992   4.875
   21   1HB   LYS   3          2HB       LYS   3  -7.532   5.917   3.674
   22   2HB   LYS   3          3HB       LYS   3  -9.036   6.250   4.491
   23   1HG   LYS   3          2HG       LYS   3  -7.426   7.469   6.271
   24   2HG   LYS   3          3HG       LYS   3  -6.257   7.336   4.958
   25   1HD   LYS   3          2HD       LYS   3  -7.183   9.362   4.358
   26   2HD   LYS   3          3HD       LYS   3  -8.282   8.296   3.478
   27   1HE   LYS   3          2HE       LYS   3  -8.715   9.754   6.107
   28   2HE   LYS   3          3HE       LYS   3  -9.664   9.876   4.624
   29   1HZ   LYS   3          1HZ       LYS   3 -10.705   8.689   6.399
   30   2HZ   LYS   3          2HZ       LYS   3 -10.557   7.674   5.071
   31   3HZ   LYS   3          3HZ       LYS   3  -9.619   7.518   6.442
   32    H    HIS   4           H        HIS   4  -5.735   4.044   4.472
   33    HA   HIS   4           HA       HIS   4  -3.997   4.242   6.878
   34   1HB   HIS   4          2HB       HIS   4  -4.319   1.800   5.087
   35   2HB   HIS   4          3HB       HIS   4  -3.334   1.923   6.531
   36    HD1  HIS   4           1HD      HIS   4  -5.887   3.322   8.218
   37    HD2  HIS   4           2HD      HIS   4  -5.883  -0.156   5.862
   38    HE1  HIS   4           1HE      HIS   4  -7.840   1.879   9.023
   39    H    GLU   5           H        GLU   5  -2.583   5.747   6.086
   40    HA   GLU   5           HA       GLU   5  -1.748   5.645   3.253
   41   1HB   GLU   5          2HB       GLU   5  -2.275   7.851   4.236
   42   2HB   GLU   5          3HB       GLU   5  -0.947   7.633   5.396
   43   1HG   GLU   5          2HG       GLU   5   0.664   7.453   3.508
   44   2HG   GLU   5          3HG       GLU   5  -0.668   7.572   2.354
   45    H    PHE   6           H        PHE   6   0.150   4.828   2.614
   46    HA   PHE   6           HA       PHE   6   2.295   4.302   4.602
   47   1HB   PHE   6          2HB       PHE   6   1.539   2.583   2.224
   48   2HB   PHE   6          3HB       PHE   6   3.011   2.401   3.174
   49    HD1  PHE   6           1HD      PHE   6  -0.778   2.405   3.661
   50    HD2  PHE   6           2HD      PHE   6   3.045   0.848   4.974
   51    HE1  PHE   6           1HE      PHE   6  -1.899   0.638   4.931
   52    HE2  PHE   6           2HE      PHE   6   1.934  -1.089   5.875
   53    HZ   PHE   6           HZ       PHE   6  -0.583  -1.271   5.790
   54    H    SER   7           H        SER   7   4.209   5.151   4.025
   55    HA   SER   7           HA       SER   7   4.530   6.439   1.348
   56   1HB   SER   7          2HB       SER   7   5.277   7.707   3.303
   57   2HB   SER   7          3HB       SER   7   6.389   6.402   3.763
   58    HG   SER   7           HG       SER   7   7.395   6.778   1.663
   59    H    VAL   8           H        VAL   8   5.710   5.338  -0.168
   60    HA   VAL   8           HA       VAL   8   6.944   2.703   0.475
   61    HB   VAL   8           HB       VAL   8   4.694   3.060  -1.530
   62   1HG1  VAL   8          1HG1      VAL   8   6.322   1.226  -2.005
   63   2HG1  VAL   8          2HG1      VAL   8   5.899   0.503  -0.431
   64   3HG1  VAL   8          3HG1      VAL   8   4.679   0.647  -1.707
   65   1HG2  VAL   8          1HG2      VAL   8   3.343   1.562   0.050
   66   2HG2  VAL   8          2HG2      VAL   8   4.553   1.941   1.283
   67   3HG2  VAL   8          3HG2      VAL   8   3.566   3.234   0.570
   68    H    ASP   9           H        ASP   9   8.922   3.113  -0.495
   69    HA   ASP   9           HA       ASP   9   9.302   4.859  -2.643
   70   1HB   ASP   9          2HB       ASP   9  11.132   4.314  -1.186
   71   2HB   ASP   9          3HB       ASP   9  11.122   2.622  -1.744
   72    H    MET  10           H        MET  10   7.580   4.217  -4.060
   73    HA   MET  10           HA       MET  10   8.088   1.944  -5.841
   74   1HB   MET  10          2HB       MET  10   6.027   4.175  -5.905
   75   2HB   MET  10          3HB       MET  10   6.091   2.826  -7.056
   76   1HG   MET  10          2HG       MET  10   5.795   1.203  -5.262
   77   2HG   MET  10          3HG       MET  10   5.755   2.484  -4.050
   78   1HE   MET  10          1HE       MET  10   2.345   4.218  -4.725
   79   2HE   MET  10          2HE       MET  10   3.824   4.199  -3.737
   80   3HE   MET  10          3HE       MET  10   3.890   4.696  -5.447
   81    H    THR  11           H        THR  11  10.063   2.319  -6.792
   82    HA   THR  11           HA       THR  11  10.887   4.955  -7.572
   83    HB   THR  11           HB       THR  11  12.861   3.841  -8.513
   84    HG1  THR  11           1HG      THR  11  11.650   1.397  -7.727
   85   1HG2  THR  11          1HG2      THR  11  12.786   4.315  -6.091
   86   2HG2  THR  11          2HG2      THR  11  12.062   2.729  -5.779
   87   3HG2  THR  11          3HG2      THR  11  13.707   2.842  -6.429
   88    H    CYS  12           HN       CYS  12   9.404   2.248  -9.355
   89    HA   CYS  12           HA       CYS  12   9.005   4.028 -11.678
   90   1HB   CYS  12          2HB       CYS  12   9.745   2.339 -13.228
   91   2HB   CYS  12          3HB       CYS  12  11.046   2.599 -12.067
   92    H    GLY  13           H        GLY  13   7.385   2.986 -13.152
   93   1HA   GLY  13          2HA       GLY  13   4.919   2.410 -12.044
   94   2HA   GLY  13          3HA       GLY  13   5.448   1.855 -13.642
   95    H    GLY  14           H        GLY  14   7.498   0.112 -12.959
   96   1HA   GLY  14          2HA       GLY  14   6.270  -2.314 -12.546
   97   2HA   GLY  14          3HA       GLY  14   7.988  -1.977 -12.240
   98    H    CYS  15           HN       CYS  15   7.600  -0.099 -10.022
   99    HA   CYS  15           HA       CYS  15   7.315  -2.058  -7.891
  100   1HB   CYS  15          2HB       CYS  15   7.529   0.956  -7.825
  101   2HB   CYS  15          3HB       CYS  15   7.562  -0.133  -6.420
  102    H    ALA  16           H        ALA  16   5.267   0.562  -9.260
  103    HA   ALA  16           HA       ALA  16   3.176   0.336  -7.276
  104   1HB   ALA  16          1HB       ALA  16   3.129   1.363 -10.144
  105   2HB   ALA  16          2HB       ALA  16   1.761   1.417  -9.030
  106   3HB   ALA  16          3HB       ALA  16   3.243   2.304  -8.636
  107    H    GLU  17           H        GLU  17   3.691  -1.165 -10.494
  108    HA   GLU  17           HA       GLU  17   1.406  -2.815 -10.562
  109   1HB   GLU  17          2HB       GLU  17   4.220  -3.309 -11.613
  110   2HB   GLU  17          3HB       GLU  17   2.811  -4.276 -12.045
  111   1HG   GLU  17          2HG       GLU  17   1.755  -2.440 -13.160
  112   2HG   GLU  17          3HG       GLU  17   2.893  -1.260 -12.503
  113    H    ALA  18           H        ALA  18   4.673  -3.512  -9.193
  114    HA   ALA  18           HA       ALA  18   4.115  -6.094  -8.232
  115   1HB   ALA  18          1HB       ALA  18   5.984  -4.018  -7.024
  116   2HB   ALA  18          2HB       ALA  18   6.033  -5.765  -6.742
  117   3HB   ALA  18          3HB       ALA  18   6.384  -5.120  -8.361
  118    H    VAL  19           H        VAL  19   3.831  -2.928  -6.474
  119    HA   VAL  19           HA       VAL  19   2.911  -3.961  -4.046
  120    HB   VAL  19           HB       VAL  19   2.451  -1.323  -5.501
  121   1HG1  VAL  19          1HG1      VAL  19   1.862  -0.551  -3.132
  122   2HG1  VAL  19          2HG1      VAL  19   0.648  -1.517  -3.989
  123   3HG1  VAL  19          3HG1      VAL  19   1.682  -2.298  -2.760
  124   1HG2  VAL  19          1HG2      VAL  19   4.195  -0.433  -4.210
  125   2HG2  VAL  19          2HG2      VAL  19   4.176  -1.744  -3.040
  126   3HG2  VAL  19          3HG2      VAL  19   4.847  -2.020  -4.647
  127    H    SER  20           H        SER  20   1.130  -2.900  -6.945
  128    HA   SER  20           HA       SER  20  -1.474  -3.322  -5.980
  129   1HB   SER  20          2HB       SER  20  -0.648  -2.220  -8.176
  130   2HB   SER  20          3HB       SER  20  -0.582  -3.826  -8.876
  131    HG   SER  20           HG       SER  20  -2.593  -2.710  -9.230
  132    H    ARG  21           H        ARG  21   0.631  -5.526  -7.808
  133    HA   ARG  21           HA       ARG  21  -0.978  -7.790  -7.866
  134   1HB   ARG  21          2HB       ARG  21   0.799  -8.571  -8.889
  135   2HB   ARG  21          3HB       ARG  21   1.729  -7.167  -8.437
  136   1HG   ARG  21          2HG       ARG  21   2.484  -8.269  -6.355
  137   2HG   ARG  21          3HG       ARG  21   1.606  -9.722  -6.776
  138   1HD   ARG  21          2HD       ARG  21   3.919  -8.384  -8.231
  139   2HD   ARG  21          3HD       ARG  21   3.977  -9.925  -7.351
  140    HE   ARG  21           HE       ARG  21   2.056 -10.310  -9.318
  141   1HH1  ARG  21          2HH2      ARG  21   5.480  -9.469  -9.261
  142   2HH1  ARG  21          1HH2      ARG  21   5.825 -10.045 -10.860
  143   1HH2  ARG  21          2HH1      ARG  21   2.474 -11.100 -11.464
  144   2HH2  ARG  21          1HH1      ARG  21   4.073 -11.022 -12.125
  145    H    VAL  22           H        VAL  22   0.918  -6.578  -5.100
  146    HA   VAL  22           HA       VAL  22   0.582  -8.953  -3.488
  147    HB   VAL  22           HB       VAL  22   2.003  -6.323  -3.477
  148   1HG1  VAL  22          1HG1      VAL  22   1.137  -7.655  -0.933
  149   2HG1  VAL  22          2HG1      VAL  22   2.518  -6.550  -1.048
  150   3HG1  VAL  22          3HG1      VAL  22   0.905  -5.953  -1.480
  151   1HG2  VAL  22          1HG2      VAL  22   3.844  -7.553  -2.723
  152   2HG2  VAL  22          2HG2      VAL  22   2.859  -9.019  -2.462
  153   3HG2  VAL  22          3HG2      VAL  22   3.122  -8.383  -4.109
  154    H    LEU  23           H        LEU  23  -0.639  -5.558  -3.345
  155    HA   LEU  23           HA       LEU  23  -2.491  -6.033  -1.175
  156   1HB   LEU  23          2HB       LEU  23  -1.953  -3.904  -3.241
  157   2HB   LEU  23          3HB       LEU  23  -3.518  -3.855  -2.522
  158    HG   LEU  23           HG       LEU  23  -0.842  -3.862  -1.021
  159   1HD1  LEU  23          1HD1      LEU  23  -1.275  -1.794  -2.384
  160   2HD1  LEU  23          2HD1      LEU  23  -2.838  -1.626  -1.537
  161   3HD1  LEU  23          3HD1      LEU  23  -1.305  -1.482  -0.639
  162   1HD2  LEU  23          1HD2      LEU  23  -2.607  -4.707   0.451
  163   2HD2  LEU  23          2HD2      LEU  23  -2.382  -3.002   0.846
  164   3HD2  LEU  23          3HD2      LEU  23  -3.738  -3.499  -0.200
  165    H    ASN  24           H        ASN  24  -2.969  -6.238  -4.713
  166    HA   ASN  24           HA       ASN  24  -5.688  -6.923  -4.716
  167   1HB   ASN  24          2HB       ASN  24  -4.503  -6.778  -6.818
  168   2HB   ASN  24          3HB       ASN  24  -3.323  -7.985  -6.299
  169   1HD2  ASN  24          1HD2      ASN  24  -6.931  -8.036  -6.068
  170   2HD2  ASN  24          2HD2      ASN  24  -7.072  -9.547  -6.942
  171    H    LYS  25           H        LYS  25  -2.886  -8.886  -3.708
  172    HA   LYS  25           HA       LYS  25  -4.378 -11.370  -3.491
  173   1HB   LYS  25          2HB       LYS  25  -1.625 -10.595  -3.453
  174   2HB   LYS  25          3HB       LYS  25  -1.964 -11.205  -1.854
  175   1HG   LYS  25          2HG       LYS  25  -1.507 -13.193  -2.679
  176   2HG   LYS  25          3HG       LYS  25  -3.120 -13.215  -3.356
  177   1HD   LYS  25          2HD       LYS  25  -0.569 -12.255  -4.793
  178   2HD   LYS  25          3HD       LYS  25  -1.222 -13.885  -4.883
  179   1HE   LYS  25          2HE       LYS  25  -1.839 -12.714  -6.892
  180   2HE   LYS  25          3HE       LYS  25  -3.293 -13.067  -5.947
  181   1HZ   LYS  25          1HZ       LYS  25  -3.327 -10.805  -6.800
  182   2HZ   LYS  25          2HZ       LYS  25  -3.258 -10.825  -5.177
  183   3HZ   LYS  25          3HZ       LYS  25  -1.913 -10.436  -6.012
  184    H    LEU  26           H        LEU  26  -3.868  -8.587  -1.431
  185    HA   LEU  26           HA       LEU  26  -4.707  -9.722   1.073
  186   1HB   LEU  26          2HB       LEU  26  -3.743  -7.359   0.618
  187   2HB   LEU  26          3HB       LEU  26  -5.352  -6.934   0.043
  188    HG   LEU  26           HG       LEU  26  -5.182  -6.085   2.152
  189   1HD1  LEU  26          1HD1      LEU  26  -6.861  -8.496   2.626
  190   2HD1  LEU  26          2HD1      LEU  26  -7.078  -6.797   3.121
  191   3HD1  LEU  26          3HD1      LEU  26  -7.272  -7.248   1.413
  192   1HD2  LEU  26          1HD2      LEU  26  -4.865  -7.418   4.189
  193   2HD2  LEU  26          2HD2      LEU  26  -4.369  -8.808   3.197
  194   3HD2  LEU  26          3HD2      LEU  26  -3.430  -7.290   3.168
  195    H    GLY  27           H        GLY  27  -6.474  -8.079  -1.579
  196   1HA   GLY  27          2HA       GLY  27  -8.275  -9.417  -2.573
  197   2HA   GLY  27          3HA       GLY  27  -8.933  -9.700  -0.965
  198    H    GLY  28           H        GLY  28 -10.014  -7.909   0.188
  199   1HA   GLY  28          2HA       GLY  28 -11.591  -6.470  -1.815
  200   2HA   GLY  28          3HA       GLY  28 -11.924  -6.668  -0.090
  201    H    VAL  29           H        VAL  29  -9.048  -5.357  -1.743
  202    HA   VAL  29           HA       VAL  29  -9.172  -2.977   0.058
  203    HB   VAL  29           HB       VAL  29  -6.805  -2.660  -0.652
  204   1HG1  VAL  29          1HG1      VAL  29  -5.934  -4.563   0.682
  205   2HG1  VAL  29          2HG1      VAL  29  -7.379  -3.854   1.453
  206   3HG1  VAL  29          3HG1      VAL  29  -7.507  -5.361   0.525
  207   1HG2  VAL  29          1HG2      VAL  29  -5.593  -4.293  -1.822
  208   2HG2  VAL  29          2HG2      VAL  29  -6.874  -5.518  -1.684
  209   3HG2  VAL  29          3HG2      VAL  29  -7.069  -4.160  -2.800
  210    H    LYS  30           H        LYS  30  -9.018  -0.851  -0.752
  211    HA   LYS  30           HA       LYS  30  -8.561  -0.539  -3.565
  212   1HB   LYS  30          2HB       LYS  30 -11.053   0.521  -2.227
  213   2HB   LYS  30          3HB       LYS  30 -10.209   1.592  -3.354
  214   1HG   LYS  30          2HG       LYS  30 -10.981  -1.247  -4.053
  215   2HG   LYS  30          3HG       LYS  30 -12.023   0.148  -4.377
  216   1HD   LYS  30          2HD       LYS  30 -10.637   1.022  -6.050
  217   2HD   LYS  30          3HD       LYS  30  -9.166   0.333  -5.409
  218   1HE   LYS  30          2HE       LYS  30  -9.739  -0.799  -7.469
  219   2HE   LYS  30          3HE       LYS  30  -9.774  -1.918  -6.099
  220   1HZ   LYS  30          1HZ       LYS  30 -12.145  -0.667  -7.333
  221   2HZ   LYS  30          2HZ       LYS  30 -11.656  -2.223  -7.548
  222   3HZ   LYS  30          3HZ       LYS  30 -12.164  -1.723  -6.068
  223    H    TYR  31           H        TYR  31  -7.276   1.204  -3.964
  224    HA   TYR  31           HA       TYR  31  -6.291   2.740  -1.763
  225   1HB   TYR  31          2HB       TYR  31  -3.993   1.660  -1.962
  226   2HB   TYR  31          3HB       TYR  31  -5.229   0.641  -1.226
  227    HD1  TYR  31           HD1      TYR  31  -6.408  -1.159  -2.566
  228    HD2  TYR  31           HD2      TYR  31  -2.682   0.668  -3.713
  229    HE1  TYR  31           HE1      TYR  31  -6.085  -2.901  -4.282
  230    HE2  TYR  31           HE2      TYR  31  -2.181  -1.307  -5.118
  231    HH   TYR  31           HH       TYR  31  -4.589  -3.913  -5.686
  232    H    ASP  32           H        ASP  32  -5.165   4.505  -2.497
  233    HA   ASP  32           HA       ASP  32  -4.967   4.799  -5.459
  234   1HB   ASP  32          2HB       ASP  32  -6.280   6.566  -4.319
  235   2HB   ASP  32          3HB       ASP  32  -4.867   6.962  -3.322
  236    H    ILE  33           H        ILE  33  -2.969   5.713  -6.238
  237    HA   ILE  33           HA       ILE  33  -0.578   4.630  -4.799
  238    HB   ILE  33           HB       ILE  33  -1.801   3.941  -7.487
  239   1HG1  ILE  33          2HG1      ILE  33  -0.834   2.023  -5.338
  240   2HG1  ILE  33          3HG1      ILE  33  -2.463   2.704  -5.253
  241   1HG2  ILE  33          1HG2      ILE  33   0.560   4.205  -7.892
  242   2HG2  ILE  33          2HG2      ILE  33   0.963   3.260  -6.440
  243   3HG2  ILE  33          3HG2      ILE  33   0.186   2.486  -7.841
  244   1HD1  ILE  33          1HD1      ILE  33  -2.803   0.664  -6.385
  245   2HD1  ILE  33          2HD1      ILE  33  -2.976   1.933  -7.571
  246   3HD1  ILE  33          3HD1      ILE  33  -1.481   0.962  -7.526
  247    H    ASP  34           H        ASP  34   0.373   6.622  -4.566
  248    HA   ASP  34           HA       ASP  34   0.645   8.391  -6.951
  249   1HB   ASP  34          2HB       ASP  34   0.060   9.431  -4.780
  250   2HB   ASP  34          3HB       ASP  34   1.624   8.869  -4.148
  251    H    LEU  35           H        LEU  35   2.148   7.645  -8.253
  252    HA   LEU  35           HA       LEU  35   4.500   6.135  -7.425
  253   1HB   LEU  35          2HB       LEU  35   3.308   7.106  -9.997
  254   2HB   LEU  35          3HB       LEU  35   5.056   6.895  -9.970
  255    HG   LEU  35           HG       LEU  35   3.239   4.699  -8.935
  256   1HD1  LEU  35          1HD1      LEU  35   2.395   5.267 -11.188
  257   2HD1  LEU  35          2HD1      LEU  35   4.036   5.092 -11.852
  258   3HD1  LEU  35          3HD1      LEU  35   3.189   3.686 -11.170
  259   1HD2  LEU  35          1HD2      LEU  35   5.137   3.253  -9.644
  260   2HD2  LEU  35          2HD2      LEU  35   5.967   4.654 -10.335
  261   3HD2  LEU  35          3HD2      LEU  35   5.732   4.546  -8.584
  262    HA   PRO  36           HA       PRO  36   6.919  10.039  -8.768
  263   1HB   PRO  36          2HB       PRO  36   5.633  12.525  -8.534
  264   2HB   PRO  36          3HB       PRO  36   5.932  11.613 -10.040
  265   1HG   PRO  36          2HG       PRO  36   3.439  11.652  -8.344
  266   2HG   PRO  36          3HG       PRO  36   3.559  11.738 -10.124
  267   1HD   PRO  36          2HD       PRO  36   2.932   9.452  -8.918
  268   2HD   PRO  36          3HD       PRO  36   4.091   9.413 -10.275
  269    H    ASN  37           H        ASN  37   4.426  10.374  -6.240
  270    HA   ASN  37           HA       ASN  37   6.480  11.431  -4.333
  271   1HB   ASN  37          2HB       ASN  37   3.479  11.320  -3.961
  272   2HB   ASN  37          3HB       ASN  37   4.656  12.086  -2.925
  273   1HD2  ASN  37          1HD2      ASN  37   2.492  12.696  -5.453
  274   2HD2  ASN  37          2HD2      ASN  37   3.163  14.247  -5.965
  275    H    LYS  38           H        LYS  38   5.584   8.402  -5.249
  276    HA   LYS  38           HA       LYS  38   5.796   6.371  -4.226
  277   1HB   LYS  38          2HB       LYS  38   7.726   8.122  -2.618
  278   2HB   LYS  38          3HB       LYS  38   7.666   6.390  -2.480
  279   1HG   LYS  38          2HG       LYS  38   9.301   6.518  -4.088
  280   2HG   LYS  38          3HG       LYS  38   7.879   6.437  -5.134
  281   1HD   LYS  38          2HD       LYS  38   7.931   9.016  -5.065
  282   2HD   LYS  38          3HD       LYS  38   9.507   8.868  -4.278
  283   1HE   LYS  38          2HE       LYS  38  10.349   7.595  -6.256
  284   2HE   LYS  38          3HE       LYS  38   8.735   7.659  -6.986
  285   1HZ   LYS  38          1HZ       LYS  38  10.473   9.967  -6.451
  286   2HZ   LYS  38          2HZ       LYS  38  10.031   9.368  -7.925
  287   3HZ   LYS  38          3HZ       LYS  38   8.910  10.081  -6.938
  288    H    LYS  39           H        LYS  39   3.385   6.860  -3.549
  289    HA   LYS  39           HA       LYS  39   3.187   6.321  -0.648
  290   1HB   LYS  39          2HB       LYS  39   2.325   8.845  -2.038
  291   2HB   LYS  39          3HB       LYS  39   1.154   8.101  -0.949
  292   1HG   LYS  39          2HG       LYS  39   2.864   8.066   0.843
  293   2HG   LYS  39          3HG       LYS  39   3.989   8.955  -0.215
  294   1HD   LYS  39          2HD       LYS  39   2.468  10.864  -0.316
  295   2HD   LYS  39          3HD       LYS  39   1.160   9.904   0.394
  296   1HE   LYS  39          2HE       LYS  39   2.672   9.634   2.470
  297   2HE   LYS  39          3HE       LYS  39   3.624  10.986   1.838
  298   1HZ   LYS  39          1HZ       LYS  39   1.516  11.171   3.424
  299   2HZ   LYS  39          2HZ       LYS  39   1.787  12.396   2.290
  300   3HZ   LYS  39          3HZ       LYS  39   0.700  11.142   2.093
  301    H    VAL  40           H        VAL  40   1.416   5.190  -0.043
  302    HA   VAL  40           HA       VAL  40  -0.530   4.376  -2.135
  303    HB   VAL  40           HB       VAL  40   0.663   2.648   0.076
  304   1HG1  VAL  40          1HG1      VAL  40  -1.671   2.087  -0.433
  305   2HG1  VAL  40          2HG1      VAL  40  -1.306   2.045  -2.171
  306   3HG1  VAL  40          3HG1      VAL  40  -0.592   0.838  -1.079
  307   1HG2  VAL  40          1HG2      VAL  40   1.087   2.585  -2.934
  308   2HG2  VAL  40          2HG2      VAL  40   2.301   3.017  -1.700
  309   3HG2  VAL  40          3HG2      VAL  40   1.672   1.368  -1.767
  310    H    CYS  41           H        CYS  41  -2.481   5.184  -1.500
  311    HA   CYS  41           HA       CYS  41  -3.097   5.514   1.446
  312   1HB   CYS  41          2HB       CYS  41  -4.245   6.861  -1.024
  313   2HB   CYS  41          3HB       CYS  41  -4.960   6.966   0.592
  314    HG   CYS  41           HG       CYS  41  -1.897   7.829  -0.227
  315    H    ILE  42           H        ILE  42  -3.768   3.522   2.000
  316    HA   ILE  42           HA       ILE  42  -5.696   2.201   0.255
  317    HB   ILE  42           HB       ILE  42  -4.436   1.614   2.945
  318   1HG1  ILE  42          2HG1      ILE  42  -4.308  -0.510   0.922
  319   2HG1  ILE  42          3HG1      ILE  42  -3.576   0.972   0.360
  320   1HG2  ILE  42          1HG2      ILE  42  -5.628  -0.508   3.078
  321   2HG2  ILE  42          2HG2      ILE  42  -6.741   0.828   3.184
  322   3HG2  ILE  42          3HG2      ILE  42  -6.604  -0.078   1.656
  323   1HD1  ILE  42          1HD1      ILE  42  -1.992   1.068   2.109
  324   2HD1  ILE  42          2HD1      ILE  42  -2.812  -0.192   3.045
  325   3HD1  ILE  42          3HD1      ILE  42  -1.980  -0.608   1.547
  326    H    GLU  43           H        GLU  43  -7.978   2.102   0.686
  327    HA   GLU  43           HA       GLU  43  -8.896   3.032   3.290
  328   1HB   GLU  43          2HB       GLU  43  -8.920   5.100   1.862
  329   2HB   GLU  43          3HB       GLU  43 -10.097   4.320   0.803
  330   1HG   GLU  43          2HG       GLU  43 -11.756   4.285   2.551
  331   2HG   GLU  43          3HG       GLU  43 -10.562   4.640   3.802
  332    H    SER  44           H        SER  44  -9.975   1.290   4.010
  333    HA   SER  44           HA       SER  44 -12.117   0.179   2.533
  334   1HB   SER  44          2HB       SER  44 -10.227  -0.979   1.325
  335   2HB   SER  44          3HB       SER  44  -9.784  -1.753   2.864
  336    HG   SER  44           HG       SER  44 -11.332  -2.938   1.404
  337    H    GLU  45           H        GLU  45 -12.682  -2.003   3.658
  338    HA   GLU  45           HA       GLU  45 -13.291  -1.541   6.469
  339   1HB   GLU  45          2HB       GLU  45 -14.854  -2.771   5.232
  340   2HB   GLU  45          3HB       GLU  45 -13.653  -3.814   4.483
  341   1HG   GLU  45          2HG       GLU  45 -14.210  -3.909   7.474
  342   2HG   GLU  45          3HG       GLU  45 -15.162  -4.823   6.296
  343    H    HIS  46           H        HIS  46 -11.362  -4.046   4.842
  344    HA   HIS  46           HA       HIS  46 -10.120  -5.352   6.707
  345   1HB   HIS  46          2HB       HIS  46  -8.778  -4.150   4.274
  346   2HB   HIS  46          3HB       HIS  46  -8.032  -5.405   5.277
  347    HD1  HIS  46           1HD      HIS  46  -8.964  -7.864   5.059
  348    HD2  HIS  46           2HD      HIS  46 -10.257  -4.942   2.362
  349    HE1  HIS  46           1HE      HIS  46  -9.453  -9.056   2.870
  350    H    SER  47           H        SER  47  -9.165  -4.872   8.585
  351    HA   SER  47           HA       SER  47  -8.298  -2.369   9.417
  352   1HB   SER  47          2HB       SER  47  -8.823  -4.261  10.933
  353   2HB   SER  47          3HB       SER  47  -7.305  -5.052  10.436
  354    HG   SER  47           HG       SER  47  -7.116  -3.820  12.391
  355    H    MET  48           H        MET  48  -6.415  -1.317   9.618
  356    HA   MET  48           HA       MET  48  -4.471  -1.375   7.715
  357   1HB   MET  48          2HB       MET  48  -3.178   0.128   9.030
  358   2HB   MET  48          3HB       MET  48  -4.886   0.459   9.343
  359   1HG   MET  48          2HG       MET  48  -4.693  -1.056  11.346
  360   2HG   MET  48          3HG       MET  48  -2.927  -0.979  11.132
  361   1HE   MET  48          1HE       MET  48  -3.535   1.257  14.283
  362   2HE   MET  48          2HE       MET  48  -4.445  -0.203  13.828
  363   3HE   MET  48          3HE       MET  48  -2.675  -0.154  13.623
  364    H    ASP  49           H        ASP  49  -4.495  -3.367  10.660
  365    HA   ASP  49           HA       ASP  49  -1.749  -4.138  10.619
  366   1HB   ASP  49          2HB       ASP  49  -3.156  -4.596  12.545
  367   2HB   ASP  49          3HB       ASP  49  -4.190  -5.679  11.588
  368    H    THR  50           H        THR  50  -4.621  -5.833   9.267
  369    HA   THR  50           HA       THR  50  -3.406  -7.921   7.970
  370    HB   THR  50           HB       THR  50  -5.626  -6.660   6.441
  371    HG1  THR  50           1HG      THR  50  -6.269  -5.733   8.246
  372   1HG2  THR  50          1HG2      THR  50  -6.717  -8.804   6.899
  373   2HG2  THR  50          2HG2      THR  50  -5.049  -9.083   6.353
  374   3HG2  THR  50          3HG2      THR  50  -5.459  -9.224   8.080
  375    H    LEU  51           H        LEU  51  -4.039  -4.596   6.703
  376    HA   LEU  51           HA       LEU  51  -2.947  -4.992   4.115
  377   1HB   LEU  51          2HB       LEU  51  -3.363  -2.568   5.900
  378   2HB   LEU  51          3HB       LEU  51  -2.599  -2.436   4.345
  379    HG   LEU  51           HG       LEU  51  -5.120  -2.020   4.701
  380   1HD1  LEU  51          1HD1      LEU  51  -3.863  -2.037   2.583
  381   2HD1  LEU  51          2HD1      LEU  51  -4.123  -3.786   2.435
  382   3HD1  LEU  51          3HD1      LEU  51  -5.503  -2.659   2.335
  383   1HD2  LEU  51          1HD2      LEU  51  -6.607  -3.842   4.094
  384   2HD2  LEU  51          2HD2      LEU  51  -5.314  -5.026   4.291
  385   3HD2  LEU  51          3HD2      LEU  51  -5.897  -4.088   5.689
  386    H    LEU  52           H        LEU  52  -1.514  -3.476   7.020
  387    HA   LEU  52           HA       LEU  52   1.076  -3.022   6.302
  388   1HB   LEU  52          2HB       LEU  52  -0.270  -3.687   8.827
  389   2HB   LEU  52          3HB       LEU  52   1.377  -4.269   8.741
  390    HG   LEU  52           HG       LEU  52   1.886  -1.759   7.982
  391   1HD1  LEU  52          1HD1      LEU  52  -0.593  -1.170   7.955
  392   2HD1  LEU  52          2HD1      LEU  52  -0.634  -1.474   9.698
  393   3HD1  LEU  52          3HD1      LEU  52   0.372  -0.171   9.049
  394   1HD2  LEU  52          1HD2      LEU  52   1.254  -2.625  10.813
  395   2HD2  LEU  52          2HD2      LEU  52   2.796  -2.831   9.948
  396   3HD2  LEU  52          3HD2      LEU  52   2.222  -1.202  10.354
  397    H    ALA  53           H        ALA  53  -0.117  -6.174   7.557
  398    HA   ALA  53           HA       ALA  53   2.413  -7.485   7.392
  399   1HB   ALA  53          1HB       ALA  53   0.487  -8.306   8.740
  400   2HB   ALA  53          2HB       ALA  53  -0.408  -8.665   7.249
  401   3HB   ALA  53          3HB       ALA  53   1.080  -9.558   7.629
  402    H    THR  54           H        THR  54  -0.303  -7.326   5.002
  403    HA   THR  54           HA       THR  54   1.095  -8.943   3.081
  404    HB   THR  54           HB       THR  54  -1.172  -6.929   2.847
  405    HG1  THR  54           1HG      THR  54  -1.087  -9.767   3.067
  406   1HG2  THR  54          1HG2      THR  54  -1.718  -8.346   0.794
  407   2HG2  THR  54          2HG2      THR  54  -0.370  -7.206   0.654
  408   3HG2  THR  54          3HG2      THR  54  -0.051  -8.951   0.879
  409    H    LEU  55           H        LEU  55   0.922  -5.370   3.620
  410    HA   LEU  55           HA       LEU  55   2.108  -4.799   1.127
  411   1HB   LEU  55          2HB       LEU  55   0.874  -3.327   3.300
  412   2HB   LEU  55          3HB       LEU  55   2.394  -2.556   2.927
  413    HG   LEU  55           HG       LEU  55   0.057  -2.956   1.092
  414   1HD1  LEU  55          1HD1      LEU  55   0.034  -1.080   2.691
  415   2HD1  LEU  55          2HD1      LEU  55   1.625  -0.539   2.118
  416   3HD1  LEU  55          3HD1      LEU  55   0.231  -0.468   1.033
  417   1HD2  LEU  55          1HD2      LEU  55   2.928  -2.217   0.432
  418   2HD2  LEU  55          2HD2      LEU  55   1.835  -3.344  -0.412
  419   3HD2  LEU  55          3HD2      LEU  55   1.565  -1.604  -0.528
  420    H    LYS  56           H        LYS  56   3.483  -5.244   4.436
  421    HA   LYS  56           HA       LYS  56   6.120  -4.607   4.017
  422   1HB   LYS  56          2HB       LYS  56   4.532  -6.341   5.730
  423   2HB   LYS  56          3HB       LYS  56   5.942  -7.219   5.236
  424   1HG   LYS  56          2HG       LYS  56   6.403  -6.012   7.218
  425   2HG   LYS  56          3HG       LYS  56   7.395  -5.334   5.927
  426   1HD   LYS  56          2HD       LYS  56   6.677  -3.306   6.664
  427   2HD   LYS  56          3HD       LYS  56   5.155  -3.662   5.857
  428   1HE   LYS  56          2HE       LYS  56   5.860  -4.058   8.799
  429   2HE   LYS  56          3HE       LYS  56   4.678  -2.946   8.094
  430   1HZ   LYS  56          1HZ       LYS  56   4.497  -5.883   8.192
  431   2HZ   LYS  56          2HZ       LYS  56   3.515  -4.798   8.939
  432   3HZ   LYS  56          3HZ       LYS  56   3.504  -4.947   7.287
  433    H    LYS  57           H        LYS  57   4.371  -7.340   2.502
  434    HA   LYS  57           HA       LYS  57   6.789  -8.678   1.704
  435   1HB   LYS  57          2HB       LYS  57   3.982  -9.029   0.596
  436   2HB   LYS  57          3HB       LYS  57   5.345 -10.144   0.448
  437   1HG   LYS  57          2HG       LYS  57   5.427 -10.360   2.941
  438   2HG   LYS  57          3HG       LYS  57   3.988  -9.333   3.065
  439   1HD   LYS  57          2HD       LYS  57   2.709 -10.952   1.688
  440   2HD   LYS  57          3HD       LYS  57   4.139 -12.012   1.635
  441   1HE   LYS  57          2HE       LYS  57   4.121 -12.112   4.151
  442   2HE   LYS  57          3HE       LYS  57   2.671 -11.095   4.173
  443   1HZ   LYS  57          1HZ       LYS  57   2.866 -13.788   2.983
  444   2HZ   LYS  57          2HZ       LYS  57   2.139 -13.406   4.405
  445   3HZ   LYS  57          3HZ       LYS  57   1.512 -12.847   2.993
  446    H    THR  58           H        THR  58   5.396  -5.786   0.468
  447    HA   THR  58           HA       THR  58   6.243  -6.121  -2.296
  448    HB   THR  58           HB       THR  58   6.126  -3.707  -2.424
  449    HG1  THR  58           1HG      THR  58   5.544  -3.620   0.342
  450   1HG2  THR  58          1HG2      THR  58   3.767  -3.422  -1.775
  451   2HG2  THR  58          2HG2      THR  58   4.042  -5.044  -2.461
  452   3HG2  THR  58          3HG2      THR  58   3.862  -4.820  -0.716
  453    H    GLY  59           H        GLY  59   7.748  -5.187   0.761
  454   1HA   GLY  59          2HA       GLY  59   9.808  -4.525   1.312
  455   2HA   GLY  59          3HA       GLY  59  10.437  -5.595   0.034
  456    H    LYS  60           H        LYS  60   8.460  -2.567  -0.059
  457    HA   LYS  60           HA       LYS  60  10.822  -1.097  -1.172
  458   1HB   LYS  60          2HB       LYS  60   8.063   0.017  -0.780
  459   2HB   LYS  60          3HB       LYS  60   9.373   0.637  -1.757
  460   1HG   LYS  60          2HG       LYS  60   7.342  -1.463  -2.406
  461   2HG   LYS  60          3HG       LYS  60   7.892  -0.090  -3.364
  462   1HD   LYS  60          2HD       LYS  60   9.171  -2.810  -3.045
  463   2HD   LYS  60          3HD       LYS  60   8.568  -2.049  -4.496
  464   1HE   LYS  60          2HE       LYS  60  10.522  -1.036  -4.961
  465   2HE   LYS  60          3HE       LYS  60  10.709  -0.399  -3.342
  466   1HZ   LYS  60          1HZ       LYS  60  12.460  -1.901  -3.789
  467   2HZ   LYS  60          2HZ       LYS  60  11.498  -2.639  -2.666
  468   3HZ   LYS  60          3HZ       LYS  60  11.434  -3.106  -4.238
  469    H    THR  61           H        THR  61  10.385   1.382   0.047
  470    HA   THR  61           HA       THR  61  11.004   0.863   2.816
  471    HB   THR  61           HB       THR  61  11.094   3.308   2.820
  472    HG1  THR  61           1HG      THR  61   9.436   3.760   1.479
  473   1HG2  THR  61          1HG2      THR  61  12.458   2.206   0.309
  474   2HG2  THR  61          2HG2      THR  61  12.898   3.676   1.188
  475   3HG2  THR  61          3HG2      THR  61  13.095   2.093   1.964
  476    H    VAL  62           H        VAL  62   8.750  -0.343   2.786
  477    HA   VAL  62           HA       VAL  62   6.423   1.374   2.592
  478    HB   VAL  62           HB       VAL  62   6.298  -0.646   1.629
  479   1HG1  VAL  62          1HG1      VAL  62   6.574  -2.089   4.291
  480   2HG1  VAL  62          2HG1      VAL  62   6.256  -2.807   2.698
  481   3HG1  VAL  62          3HG1      VAL  62   7.819  -2.064   3.023
  482   1HG2  VAL  62          1HG2      VAL  62   4.457  -0.902   4.028
  483   2HG2  VAL  62          2HG2      VAL  62   4.217   0.280   2.725
  484   3HG2  VAL  62          3HG2      VAL  62   4.201  -1.448   2.358
  485    H    SER  63           H        SER  63   6.737   2.840   4.043
  486    HA   SER  63           HA       SER  63   6.770   2.201   6.966
  487   1HB   SER  63          2HB       SER  63   7.286   4.792   5.468
  488   2HB   SER  63          3HB       SER  63   7.460   4.547   7.218
  489    HG   SER  63           HG       SER  63   9.451   4.295   5.998
  490    H    TYR  64           H        TYR  64   4.882   2.317   8.046
  491    HA   TYR  64           HA       TYR  64   2.507   3.316   6.725
  492   1HB   TYR  64          2HB       TYR  64   2.502   1.229   8.037
  493   2HB   TYR  64          3HB       TYR  64   2.941   2.130   9.492
  494    HD1  TYR  64           HD1      TYR  64   0.390   2.609   6.749
  495    HD2  TYR  64           HD2      TYR  64   1.084   2.184  10.982
  496    HE1  TYR  64           HE1      TYR  64  -1.836   3.494   7.214
  497    HE2  TYR  64           HE2      TYR  64  -1.280   2.786  11.414
  498    HH   TYR  64           HH       TYR  64  -2.910   4.662   9.190
  499    H    LEU  65           H        LEU  65   1.333   5.124   7.205
  500    HA   LEU  65           HA       LEU  65   2.384   7.073   9.170
  501   1HB   LEU  65          2HB       LEU  65   0.957   7.564   6.558
  502   2HB   LEU  65          3HB       LEU  65   1.218   8.778   7.811
  503    HG   LEU  65           HG       LEU  65   3.759   7.871   7.670
  504   1HD1  LEU  65          1HD1      LEU  65   2.705   7.560   4.833
  505   2HD1  LEU  65          2HD1      LEU  65   4.386   7.364   5.408
  506   3HD1  LEU  65          3HD1      LEU  65   3.136   6.222   5.914
  507   1HD2  LEU  65          1HD2      LEU  65   2.508   9.881   5.784
  508   2HD2  LEU  65          2HD2      LEU  65   3.084  10.185   7.441
  509   3HD2  LEU  65          3HD2      LEU  65   4.240   9.740   6.163
  510    H    GLY  66           H        GLY  66   0.186   8.635   9.558
  511   1HA   GLY  66          2HA       GLY  66  -1.137   7.313  11.578
  512   2HA   GLY  66          3HA       GLY  66  -1.697   8.801  10.807
  513    H    LEU  67           H        LEU  67  -3.621   7.519  11.817
  514    HA   LEU  67           HA       LEU  67  -4.982   5.782   9.806
  515   1HB   LEU  67          2HB       LEU  67  -4.384   4.510  11.795
  516   2HB   LEU  67          3HB       LEU  67  -4.935   5.815  12.849
  517    HG   LEU  67           HG       LEU  67  -7.289   5.424  12.147
  518   1HD1  LEU  67          1HD1      LEU  67  -6.098   3.049  10.651
  519   2HD1  LEU  67          2HD1      LEU  67  -7.831   3.328  10.944
  520   3HD1  LEU  67          3HD1      LEU  67  -6.928   4.440   9.910
  521   1HD2  LEU  67          1HD2      LEU  67  -7.563   3.319  13.372
  522   2HD2  LEU  67          2HD2      LEU  67  -5.833   2.966  13.193
  523   3HD2  LEU  67          3HD2      LEU  67  -6.364   4.358  14.161
  524    H    GLU  68           H        GLU  68  -6.950   6.586   9.119
  525    HA   GLU  68           HA       GLU  68  -8.631   8.048  10.975
  526   1HB   GLU  68          2HB       GLU  68  -7.356   9.855   9.722
  527   2HB   GLU  68          3HB       GLU  68  -8.044   9.239   8.222
  528   1HG   GLU  68          2HG       GLU  68  -9.594  10.380  10.594
  529   2HG   GLU  68          3HG       GLU  68  -9.223  11.244   9.099
  Start of MODEL   13
    1   1H    MET   1           H1       MET   1 -13.267   5.978   5.143
    2   2H    MET   1           H2       MET   1 -14.623   6.348   6.026
    3   3H    MET   1           H3       MET   1 -13.070   6.568   6.631
    4    HA   MET   1           HA       MET   1 -14.206   4.552   7.510
    5   1HB   MET   1          2HB       MET   1 -13.823   3.937   4.554
    6   2HB   MET   1          3HB       MET   1 -13.605   2.632   5.693
    7   1HG   MET   1          2HG       MET   1 -15.872   3.044   6.614
    8   2HG   MET   1          3HG       MET   1 -16.103   4.348   5.433
    9   1HE   MET   1          1HE       MET   1 -18.390   3.193   4.745
   10   2HE   MET   1          2HE       MET   1 -18.507   1.495   4.224
   11   3HE   MET   1          3HE       MET   1 -18.088   1.874   5.909
   12    HA   PRO   2           HA       PRO   2 -10.192   3.751   8.999
   13   1HB   PRO   2          2HB       PRO   2  -9.703   0.995   8.520
   14   2HB   PRO   2          3HB       PRO   2 -10.410   1.773   9.954
   15   1HG   PRO   2          2HG       PRO   2 -11.820   0.575   7.574
   16   2HG   PRO   2          3HG       PRO   2 -12.260   0.435   9.302
   17   1HD   PRO   2          2HD       PRO   2 -13.603   2.132   7.770
   18   2HD   PRO   2          3HD       PRO   2 -13.023   2.719   9.342
   19    H    LYS   3           H        LYS   3  -8.911   4.977   7.788
   20    HA   LYS   3           HA       LYS   3  -7.973   4.141   5.120
   21   1HB   LYS   3          2HB       LYS   3  -8.946   6.423   5.603
   22   2HB   LYS   3          3HB       LYS   3  -7.552   6.716   6.658
   23   1HG   LYS   3          2HG       LYS   3  -6.042   6.275   4.703
   24   2HG   LYS   3          3HG       LYS   3  -7.454   6.216   3.641
   25   1HD   LYS   3          2HD       LYS   3  -6.857   8.614   5.454
   26   2HD   LYS   3          3HD       LYS   3  -6.024   8.407   3.926
   27   1HE   LYS   3          2HE       LYS   3  -7.883   9.937   3.663
   28   2HE   LYS   3          3HE       LYS   3  -8.071   8.499   2.639
   29   1HZ   LYS   3          1HZ       LYS   3  -9.471   8.927   5.217
   30   2HZ   LYS   3          2HZ       LYS   3 -10.104   9.175   3.754
   31   3HZ   LYS   3          3HZ       LYS   3  -9.688   7.659   4.131
   32    H    HIS   4           H        HIS   4  -5.821   3.598   4.807
   33    HA   HIS   4           HA       HIS   4  -3.909   3.921   7.071
   34   1HB   HIS   4          2HB       HIS   4  -3.871   1.372   5.457
   35   2HB   HIS   4          3HB       HIS   4  -3.129   1.779   6.988
   36    HD1  HIS   4           1HD      HIS   4  -6.271   0.278   5.590
   37    HD2  HIS   4           2HD      HIS   4  -5.016   2.211   9.102
   38    HE1  HIS   4           1HE      HIS   4  -8.058  -0.163   7.333
   39    H    GLU   5           H        GLU   5  -2.952   5.619   6.104
   40    HA   GLU   5           HA       GLU   5  -1.968   5.506   3.414
   41   1HB   GLU   5          2HB       GLU   5  -1.425   7.417   5.665
   42   2HB   GLU   5          3HB       GLU   5  -0.820   7.640   4.042
   43   1HG   GLU   5          2HG       GLU   5  -2.805   8.841   3.874
   44   2HG   GLU   5          3HG       GLU   5  -3.559   7.253   3.617
   45    H    PHE   6           H        PHE   6  -0.134   4.854   2.559
   46    HA   PHE   6           HA       PHE   6   2.222   4.329   4.292
   47   1HB   PHE   6          2HB       PHE   6   1.100   2.655   2.040
   48   2HB   PHE   6          3HB       PHE   6   2.737   2.468   2.679
   49    HD1  PHE   6           1HD      PHE   6  -0.915   2.107   3.554
   50    HD2  PHE   6           2HD      PHE   6   3.172   1.380   4.759
   51    HE1  PHE   6           1HE      PHE   6  -1.695   0.555   5.289
   52    HE2  PHE   6           2HE      PHE   6   2.381  -0.192   6.444
   53    HZ   PHE   6           HZ       PHE   6  -0.079  -0.614   6.745
   54    H    SER   7           H        SER   7   4.096   5.122   3.548
   55    HA   SER   7           HA       SER   7   4.090   6.458   0.884
   56   1HB   SER   7          2HB       SER   7   4.738   7.972   2.649
   57   2HB   SER   7          3HB       SER   7   6.035   6.883   3.166
   58    HG   SER   7           HG       SER   7   5.847   7.750   0.454
   59    H    VAL   8           H        VAL   8   5.331   5.479  -0.649
   60    HA   VAL   8           HA       VAL   8   6.703   2.930   0.042
   61    HB   VAL   8           HB       VAL   8   4.438   3.214  -1.978
   62   1HG1  VAL   8          1HG1      VAL   8   4.608   0.692  -1.956
   63   2HG1  VAL   8          2HG1      VAL   8   6.001   1.522  -2.664
   64   3HG1  VAL   8          3HG1      VAL   8   6.112   0.863  -1.025
   65   1HG2  VAL   8          1HG2      VAL   8   3.251   1.624  -0.292
   66   2HG2  VAL   8          2HG2      VAL   8   4.435   2.197   0.883
   67   3HG2  VAL   8          3HG2      VAL   8   3.336   3.345   0.111
   68    H    ASP   9           H        ASP   9   8.553   2.912  -1.065
   69    HA   ASP   9           HA       ASP   9   9.181   5.138  -2.723
   70   1HB   ASP   9          2HB       ASP   9  10.794   4.225  -1.176
   71   2HB   ASP   9          3HB       ASP   9  10.860   2.698  -2.107
   72    H    MET  10           H        MET  10   7.517   4.763  -4.294
   73    HA   MET  10           HA       MET  10   7.813   2.719  -6.295
   74   1HB   MET  10          2HB       MET  10   6.140   5.220  -6.036
   75   2HB   MET  10          3HB       MET  10   6.071   4.168  -7.470
   76   1HG   MET  10          2HG       MET  10   5.453   2.257  -6.109
   77   2HG   MET  10          3HG       MET  10   5.544   3.225  -4.630
   78   1HE   MET  10          1HE       MET  10   3.206   2.177  -4.071
   79   2HE   MET  10          2HE       MET  10   1.782   2.291  -5.149
   80   3HE   MET  10          3HE       MET  10   3.201   1.344  -5.632
   81    H    THR  11           H        THR  11  10.039   3.012  -6.799
   82    HA   THR  11           HA       THR  11  10.965   5.418  -8.082
   83    HB   THR  11           HB       THR  11  12.958   4.087  -8.656
   84    HG1  THR  11           1HG      THR  11  11.611   1.935  -7.381
   85   1HG2  THR  11          1HG2      THR  11  12.725   5.124  -6.392
   86   2HG2  THR  11          2HG2      THR  11  12.018   3.618  -5.786
   87   3HG2  THR  11          3HG2      THR  11  13.690   3.636  -6.364
   88    H    CYS  12           HN       CYS  12   9.215   2.602  -9.363
   89    HA   CYS  12           HA       CYS  12   9.066   3.957 -11.939
   90   1HB   CYS  12          2HB       CYS  12   9.917   2.126 -13.259
   91   2HB   CYS  12          3HB       CYS  12  11.152   2.547 -12.076
   92    H    GLY  13           H        GLY  13   7.547   2.768 -13.376
   93   1HA   GLY  13          2HA       GLY  13   5.016   2.205 -12.411
   94   2HA   GLY  13          3HA       GLY  13   5.698   1.534 -13.892
   95    H    GLY  14           H        GLY  14   7.778  -0.025 -12.760
   96   1HA   GLY  14          2HA       GLY  14   6.491  -2.467 -12.293
   97   2HA   GLY  14          3HA       GLY  14   8.197  -2.088 -11.944
   98    H    CYS  15           HN       CYS  15   7.648   0.009  -9.947
   99    HA   CYS  15           HA       CYS  15   7.322  -1.670  -7.611
  100   1HB   CYS  15          2HB       CYS  15   7.201   1.339  -7.955
  101   2HB   CYS  15          3HB       CYS  15   7.242   0.485  -6.409
  102    H    ALA  16           H        ALA  16   5.219   0.669  -9.357
  103    HA   ALA  16           HA       ALA  16   2.981   0.414  -7.589
  104   1HB   ALA  16          1HB       ALA  16   3.025   1.136 -10.539
  105   2HB   ALA  16          2HB       ALA  16   1.642   1.297  -9.439
  106   3HB   ALA  16          3HB       ALA  16   3.111   2.243  -9.145
  107    H    GLU  17           H        GLU  17   3.814  -1.344 -10.620
  108    HA   GLU  17           HA       GLU  17   1.671  -3.113 -10.670
  109   1HB   GLU  17          2HB       GLU  17   3.648  -2.879 -12.338
  110   2HB   GLU  17          3HB       GLU  17   4.528  -3.984 -11.274
  111   1HG   GLU  17          2HG       GLU  17   2.349  -5.481 -11.492
  112   2HG   GLU  17          3HG       GLU  17   2.017  -4.433 -12.879
  113    H    ALA  18           H        ALA  18   4.834  -3.603  -9.009
  114    HA   ALA  18           HA       ALA  18   4.241  -6.098  -7.838
  115   1HB   ALA  18          1HB       ALA  18   6.122  -5.593  -6.323
  116   2HB   ALA  18          2HB       ALA  18   6.512  -5.138  -7.998
  117   3HB   ALA  18          3HB       ALA  18   6.069  -3.887  -6.816
  118    H    VAL  19           H        VAL  19   3.873  -2.799  -6.388
  119    HA   VAL  19           HA       VAL  19   2.934  -3.673  -3.877
  120    HB   VAL  19           HB       VAL  19   2.512  -1.152  -5.543
  121   1HG1  VAL  19          1HG1      VAL  19   0.647  -1.272  -4.053
  122   2HG1  VAL  19          2HG1      VAL  19   1.689  -1.910  -2.741
  123   3HG1  VAL  19          3HG1      VAL  19   1.829  -0.206  -3.296
  124   1HG2  VAL  19          1HG2      VAL  19   4.220  -0.190  -4.177
  125   2HG2  VAL  19          2HG2      VAL  19   4.156  -1.513  -3.012
  126   3HG2  VAL  19          3HG2      VAL  19   4.872  -1.775  -4.606
  127    H    SER  20           H        SER  20   1.218  -2.784  -6.879
  128    HA   SER  20           HA       SER  20  -1.407  -3.105  -5.920
  129   1HB   SER  20          2HB       SER  20  -0.589  -2.095  -8.104
  130   2HB   SER  20          3HB       SER  20  -0.431  -3.709  -8.760
  131    HG   SER  20           HG       SER  20  -2.481  -2.723  -9.228
  132    H    ARG  21           H        ARG  21   0.670  -5.411  -7.644
  133    HA   ARG  21           HA       ARG  21  -0.950  -7.672  -7.556
  134   1HB   ARG  21          2HB       ARG  21   0.752  -8.508  -8.592
  135   2HB   ARG  21          3HB       ARG  21   1.707  -7.084  -8.288
  136   1HG   ARG  21          2HG       ARG  21   2.617  -8.077  -6.208
  137   2HG   ARG  21          3HG       ARG  21   1.693  -9.523  -6.480
  138   1HD   ARG  21          2HD       ARG  21   4.198  -8.504  -7.740
  139   2HD   ARG  21          3HD       ARG  21   3.726 -10.150  -7.408
  140    HE   ARG  21           HE       ARG  21   2.424 -10.232  -9.432
  141   1HH1  ARG  21          2HH2      ARG  21   4.664  -7.390  -9.329
  142   2HH1  ARG  21          1HH2      ARG  21   4.386  -7.104 -11.046
  143   1HH2  ARG  21          2HH1      ARG  21   2.263  -9.681 -11.742
  144   2HH2  ARG  21          1HH1      ARG  21   3.190  -8.272 -12.265
  145    H    VAL  22           H        VAL  22   1.170  -6.431  -4.936
  146    HA   VAL  22           HA       VAL  22   0.877  -8.725  -3.239
  147    HB   VAL  22           HB       VAL  22   2.140  -6.010  -3.289
  148   1HG1  VAL  22          1HG1      VAL  22   1.289  -7.302  -0.725
  149   2HG1  VAL  22          2HG1      VAL  22   2.686  -6.213  -0.843
  150   3HG1  VAL  22          3HG1      VAL  22   1.085  -5.622  -1.330
  151   1HG2  VAL  22          1HG2      VAL  22   3.173  -8.633  -2.273
  152   2HG2  VAL  22          2HG2      VAL  22   3.359  -7.990  -3.928
  153   3HG2  VAL  22          3HG2      VAL  22   4.059  -7.104  -2.562
  154    H    LEU  23           H        LEU  23  -0.529  -5.410  -3.243
  155    HA   LEU  23           HA       LEU  23  -2.234  -5.887  -0.983
  156   1HB   LEU  23          2HB       LEU  23  -1.803  -3.759  -2.962
  157   2HB   LEU  23          3HB       LEU  23  -3.478  -3.895  -2.544
  158    HG   LEU  23           HG       LEU  23  -1.207  -3.798  -0.500
  159   1HD1  LEU  23          1HD1      LEU  23  -2.955  -1.513  -1.499
  160   2HD1  LEU  23          2HD1      LEU  23  -1.661  -1.409  -0.282
  161   3HD1  LEU  23          3HD1      LEU  23  -1.255  -1.747  -1.969
  162   1HD2  LEU  23          1HD2      LEU  23  -2.999  -3.215   1.060
  163   2HD2  LEU  23          2HD2      LEU  23  -4.154  -3.106  -0.294
  164   3HD2  LEU  23          3HD2      LEU  23  -3.517  -4.677   0.210
  165    H    ASN  24           H        ASN  24  -2.653  -6.347  -4.508
  166    HA   ASN  24           HA       ASN  24  -5.402  -6.956  -4.461
  167   1HB   ASN  24          2HB       ASN  24  -4.296  -6.519  -6.564
  168   2HB   ASN  24          3HB       ASN  24  -3.186  -7.883  -6.327
  169   1HD2  ASN  24          1HD2      ASN  24  -6.739  -7.783  -5.696
  170   2HD2  ASN  24          2HD2      ASN  24  -7.039  -9.136  -6.766
  171    H    LYS  25           H        LYS  25  -2.567  -9.017  -3.806
  172    HA   LYS  25           HA       LYS  25  -3.990 -11.443  -3.498
  173   1HB   LYS  25          2HB       LYS  25  -1.320 -10.467  -2.912
  174   2HB   LYS  25          3HB       LYS  25  -1.935 -11.333  -1.515
  175   1HG   LYS  25          2HG       LYS  25  -0.823 -12.915  -2.932
  176   2HG   LYS  25          3HG       LYS  25  -2.563 -13.225  -3.110
  177   1HD   LYS  25          2HD       LYS  25  -2.463 -11.641  -5.177
  178   2HD   LYS  25          3HD       LYS  25  -0.716 -11.704  -5.037
  179   1HE   LYS  25          2HE       LYS  25  -2.634 -14.053  -5.508
  180   2HE   LYS  25          3HE       LYS  25  -1.600 -13.293  -6.723
  181   1HZ   LYS  25          1HZ       LYS  25  -0.638 -15.311  -5.918
  182   2HZ   LYS  25          2HZ       LYS  25   0.317 -14.050  -5.473
  183   3HZ   LYS  25          3HZ       LYS  25  -0.656 -14.785  -4.364
  184    H    LEU  26           H        LEU  26  -3.909  -8.678  -1.285
  185    HA   LEU  26           HA       LEU  26  -5.548 -10.027   0.760
  186   1HB   LEU  26          2HB       LEU  26  -4.069  -8.237   1.380
  187   2HB   LEU  26          3HB       LEU  26  -4.799  -7.120   0.247
  188    HG   LEU  26           HG       LEU  26  -5.453  -6.392   2.248
  189   1HD1  LEU  26          1HD1      LEU  26  -7.918  -8.003   1.569
  190   2HD1  LEU  26          2HD1      LEU  26  -7.788  -6.395   2.270
  191   3HD1  LEU  26          3HD1      LEU  26  -7.317  -6.648   0.569
  192   1HD2  LEU  26          1HD2      LEU  26  -6.338  -9.167   3.075
  193   2HD2  LEU  26          2HD2      LEU  26  -4.863  -8.315   3.612
  194   3HD2  LEU  26          3HD2      LEU  26  -6.463  -7.655   4.019
  195    H    GLY  27           H        GLY  27  -5.987  -7.683  -1.923
  196   1HA   GLY  27          2HA       GLY  27  -7.548  -7.831  -3.624
  197   2HA   GLY  27          3HA       GLY  27  -8.377  -9.136  -2.775
  198    H    GLY  28           H        GLY  28  -9.219  -8.104  -0.466
  199   1HA   GLY  28          2HA       GLY  28 -11.401  -6.348  -1.252
  200   2HA   GLY  28          3HA       GLY  28 -11.036  -6.941   0.374
  201    H    VAL  29           H        VAL  29  -9.292  -4.856  -1.988
  202    HA   VAL  29           HA       VAL  29  -9.040  -2.687   0.055
  203    HB   VAL  29           HB       VAL  29  -6.633  -2.482  -0.846
  204   1HG1  VAL  29          1HG1      VAL  29  -6.693  -3.068   1.387
  205   2HG1  VAL  29          2HG1      VAL  29  -7.631  -4.531   1.102
  206   3HG1  VAL  29          3HG1      VAL  29  -5.917  -4.519   0.702
  207   1HG2  VAL  29          1HG2      VAL  29  -5.549  -4.379  -1.730
  208   2HG2  VAL  29          2HG2      VAL  29  -6.931  -5.443  -1.412
  209   3HG2  VAL  29          3HG2      VAL  29  -7.023  -4.238  -2.705
  210    H    LYS  30           H        LYS  30  -8.900  -0.596  -0.795
  211    HA   LYS  30           HA       LYS  30  -8.298  -0.272  -3.606
  212   1HB   LYS  30          2HB       LYS  30 -10.832   0.775  -2.329
  213   2HB   LYS  30          3HB       LYS  30  -9.994   1.762  -3.518
  214   1HG   LYS  30          2HG       LYS  30 -11.060  -1.057  -3.976
  215   2HG   LYS  30          3HG       LYS  30 -11.777   0.449  -4.503
  216   1HD   LYS  30          2HD       LYS  30 -10.778   0.089  -6.462
  217   2HD   LYS  30          3HD       LYS  30  -9.388   0.843  -5.707
  218   1HE   LYS  30          2HE       LYS  30  -9.002  -1.241  -7.100
  219   2HE   LYS  30          3HE       LYS  30  -8.227  -1.244  -5.526
  220   1HZ   LYS  30          1HZ       LYS  30  -9.341  -3.325  -6.112
  221   2HZ   LYS  30          2HZ       LYS  30  -9.819  -2.684  -4.689
  222   3HZ   LYS  30          3HZ       LYS  30 -10.808  -2.575  -6.019
  223    H    TYR  31           H        TYR  31  -7.140   1.603  -3.983
  224    HA   TYR  31           HA       TYR  31  -6.284   3.169  -1.725
  225   1HB   TYR  31          2HB       TYR  31  -3.838   2.393  -2.262
  226   2HB   TYR  31          3HB       TYR  31  -4.826   1.404  -1.226
  227    HD1  TYR  31           HD1      TYR  31  -6.091  -0.631  -2.186
  228    HD2  TYR  31           HD2      TYR  31  -2.541   1.145  -3.809
  229    HE1  TYR  31           HE1      TYR  31  -5.799  -2.593  -3.643
  230    HE2  TYR  31           HE2      TYR  31  -2.067  -0.966  -5.016
  231    HH   TYR  31           HH       TYR  31  -4.384  -3.704  -5.092
  232    H    ASP  32           H        ASP  32  -5.146   4.960  -2.304
  233    HA   ASP  32           HA       ASP  32  -5.138   5.675  -5.187
  234   1HB   ASP  32          2HB       ASP  32  -5.850   7.445  -3.606
  235   2HB   ASP  32          3HB       ASP  32  -4.331   7.259  -2.709
  236    H    ILE  33           H        ILE  33  -3.075   6.097  -6.172
  237    HA   ILE  33           HA       ILE  33  -0.702   4.756  -4.997
  238    HB   ILE  33           HB       ILE  33  -2.157   4.106  -7.591
  239   1HG1  ILE  33          2HG1      ILE  33  -0.996   2.189  -5.524
  240   2HG1  ILE  33          3HG1      ILE  33  -2.645   2.847  -5.406
  241   1HG2  ILE  33          1HG2      ILE  33   0.730   3.596  -6.832
  242   2HG2  ILE  33          2HG2      ILE  33  -0.104   2.698  -8.126
  243   3HG2  ILE  33          3HG2      ILE  33   0.098   4.444  -8.257
  244   1HD1  ILE  33          1HD1      ILE  33  -2.944   0.766  -6.521
  245   2HD1  ILE  33          2HD1      ILE  33  -3.157   2.015  -7.724
  246   3HD1  ILE  33          3HD1      ILE  33  -1.638   1.084  -7.667
  247    H    ASP  34           H        ASP  34   0.712   6.457  -5.045
  248    HA   ASP  34           HA       ASP  34   0.800   8.124  -7.544
  249   1HB   ASP  34          2HB       ASP  34  -0.055   9.428  -5.623
  250   2HB   ASP  34          3HB       ASP  34   1.439   9.053  -4.742
  251    H    LEU  35           H        LEU  35   2.554   7.603  -8.641
  252    HA   LEU  35           HA       LEU  35   4.824   6.295  -7.394
  253   1HB   LEU  35          2HB       LEU  35   4.306   7.179 -10.252
  254   2HB   LEU  35          3HB       LEU  35   5.835   6.564  -9.633
  255    HG   LEU  35           HG       LEU  35   4.047   4.649  -8.683
  256   1HD1  LEU  35          1HD1      LEU  35   2.554   4.055 -10.553
  257   2HD1  LEU  35          2HD1      LEU  35   2.150   5.651  -9.897
  258   3HD1  LEU  35          3HD1      LEU  35   3.047   5.514 -11.427
  259   1HD2  LEU  35          1HD2      LEU  35   4.926   3.179 -10.388
  260   2HD2  LEU  35          2HD2      LEU  35   5.396   4.565 -11.403
  261   3HD2  LEU  35          3HD2      LEU  35   6.211   4.264  -9.854
  262    HA   PRO  36           HA       PRO  36   7.262  10.233  -8.575
  263   1HB   PRO  36          2HB       PRO  36   5.874  12.654  -8.747
  264   2HB   PRO  36          3HB       PRO  36   6.393  11.635 -10.120
  265   1HG   PRO  36          2HG       PRO  36   3.695  11.676  -8.760
  266   2HG   PRO  36          3HG       PRO  36   4.040  11.699 -10.513
  267   1HD   PRO  36          2HD       PRO  36   3.368   9.413  -9.326
  268   2HD   PRO  36          3HD       PRO  36   4.726   9.413 -10.486
  269    H    ASN  37           H        ASN  37   4.422  10.411  -6.487
  270    HA   ASN  37           HA       ASN  37   6.039  11.814  -4.372
  271   1HB   ASN  37          2HB       ASN  37   3.045  11.381  -4.461
  272   2HB   ASN  37          3HB       ASN  37   3.952  12.224  -3.224
  273   1HD2  ASN  37          1HD2      ASN  37   2.243  12.731  -6.122
  274   2HD2  ASN  37          2HD2      ASN  37   2.876  14.342  -6.459
  275    H    LYS  38           H        LYS  38   5.611   8.681  -5.267
  276    HA   LYS  38           HA       LYS  38   5.909   6.714  -4.209
  277   1HB   LYS  38          2HB       LYS  38   7.418   8.589  -2.308
  278   2HB   LYS  38          3HB       LYS  38   7.507   6.859  -2.227
  279   1HG   LYS  38          2HG       LYS  38   9.417   7.368  -3.402
  280   2HG   LYS  38          3HG       LYS  38   8.296   6.800  -4.633
  281   1HD   LYS  38          2HD       LYS  38   9.578   8.646  -5.445
  282   2HD   LYS  38          3HD       LYS  38   7.884   9.106  -5.358
  283   1HE   LYS  38          2HE       LYS  38   8.294  10.366  -3.261
  284   2HE   LYS  38          3HE       LYS  38   9.988   9.835  -3.262
  285   1HZ   LYS  38          1HZ       LYS  38   9.671  12.065  -4.154
  286   2HZ   LYS  38          2HZ       LYS  38  10.275  11.058  -5.315
  287   3HZ   LYS  38          3HZ       LYS  38   8.687  11.478  -5.336
  288    H    LYS  39           H        LYS  39   3.388   6.880  -3.804
  289    HA   LYS  39           HA       LYS  39   2.946   6.465  -0.927
  290   1HB   LYS  39          2HB       LYS  39   1.913   8.775  -2.575
  291   2HB   LYS  39          3HB       LYS  39   0.804   8.048  -1.417
  292   1HG   LYS  39          2HG       LYS  39   2.340   8.445   0.410
  293   2HG   LYS  39          3HG       LYS  39   3.549   9.139  -0.695
  294   1HD   LYS  39          2HD       LYS  39   2.120  10.941  -1.348
  295   2HD   LYS  39          3HD       LYS  39   0.714  10.266  -0.527
  296   1HE   LYS  39          2HE       LYS  39   3.261  11.211   0.885
  297   2HE   LYS  39          3HE       LYS  39   1.812  12.202   0.666
  298   1HZ   LYS  39          1HZ       LYS  39   1.906   9.666   2.157
  299   2HZ   LYS  39          2HZ       LYS  39   1.818  11.173   2.811
  300   3HZ   LYS  39          3HZ       LYS  39   0.564  10.588   1.921
  301    H    VAL  40           H        VAL  40   1.194   5.437  -0.318
  302    HA   VAL  40           HA       VAL  40  -0.665   4.225  -2.257
  303    HB   VAL  40           HB       VAL  40   0.973   2.778  -0.135
  304   1HG1  VAL  40          1HG1      VAL  40  -0.217   0.738  -1.040
  305   2HG1  VAL  40          2HG1      VAL  40  -1.241   1.843  -0.118
  306   3HG1  VAL  40          3HG1      VAL  40  -1.325   1.833  -1.894
  307   1HG2  VAL  40          1HG2      VAL  40   1.808   1.497  -1.996
  308   2HG2  VAL  40          2HG2      VAL  40   0.844   2.499  -3.128
  309   3HG2  VAL  40          3HG2      VAL  40   2.194   3.206  -2.186
  310    H    CYS  41           H        CYS  41  -2.495   5.410  -1.398
  311    HA   CYS  41           HA       CYS  41  -2.774   5.398   1.594
  312   1HB   CYS  41          2HB       CYS  41  -3.944   7.257  -0.420
  313   2HB   CYS  41          3HB       CYS  41  -4.365   7.230   1.275
  314    HG   CYS  41           HG       CYS  41  -2.011   7.649   2.215
  315    H    ILE  42           H        ILE  42  -3.889   3.681   2.232
  316    HA   ILE  42           HA       ILE  42  -5.779   2.593   0.285
  317    HB   ILE  42           HB       ILE  42  -4.886   1.241   2.849
  318   1HG1  ILE  42          2HG1      ILE  42  -3.292   1.081   0.272
  319   2HG1  ILE  42          3HG1      ILE  42  -2.817   1.971   1.729
  320   1HG2  ILE  42          1HG2      ILE  42  -5.944   0.267   0.153
  321   2HG2  ILE  42          2HG2      ILE  42  -5.234  -0.833   1.291
  322   3HG2  ILE  42          3HG2      ILE  42  -6.676   0.084   1.741
  323   1HD1  ILE  42          1HD1      ILE  42  -2.696  -0.066   3.039
  324   2HD1  ILE  42          2HD1      ILE  42  -3.014  -1.011   1.554
  325   3HD1  ILE  42          3HD1      ILE  42  -1.582  -0.016   1.696
  326    H    GLU  43           H        GLU  43  -7.968   2.006   0.857
  327    HA   GLU  43           HA       GLU  43  -8.803   2.528   3.617
  328   1HB   GLU  43          2HB       GLU  43  -9.067   4.698   2.286
  329   2HB   GLU  43          3HB       GLU  43 -10.316   3.891   1.342
  330   1HG   GLU  43          2HG       GLU  43 -11.698   3.556   3.309
  331   2HG   GLU  43          3HG       GLU  43 -10.380   4.037   4.390
  332    H    SER  44           H        SER  44  -9.905   0.705   4.196
  333    HA   SER  44           HA       SER  44 -12.096  -0.159   2.630
  334   1HB   SER  44          2HB       SER  44 -10.237  -1.344   1.385
  335   2HB   SER  44          3HB       SER  44  -9.903  -2.263   2.865
  336    HG   SER  44           HG       SER  44 -11.355  -3.421   1.617
  337    H    GLU  45           H        GLU  45 -12.902  -2.319   3.606
  338    HA   GLU  45           HA       GLU  45 -13.062  -2.008   6.547
  339   1HB   GLU  45          2HB       GLU  45 -14.844  -3.794   6.281
  340   2HB   GLU  45          3HB       GLU  45 -15.180  -2.207   5.592
  341   1HG   GLU  45          2HG       GLU  45 -14.721  -2.993   3.331
  342   2HG   GLU  45          3HG       GLU  45 -14.167  -4.562   3.959
  343    H    HIS  46           H        HIS  46 -10.573  -2.575   6.037
  344    HA   HIS  46           HA       HIS  46 -10.283  -5.302   7.178
  345   1HB   HIS  46          2HB       HIS  46  -8.670  -4.118   4.890
  346   2HB   HIS  46          3HB       HIS  46  -7.971  -5.298   6.003
  347    HD1  HIS  46           1HD      HIS  46  -8.474  -7.799   5.548
  348    HD2  HIS  46           2HD      HIS  46 -10.789  -5.072   3.341
  349    HE1  HIS  46           1HE      HIS  46  -9.629  -9.144   3.712
  350    H    SER  47           H        SER  47  -8.341  -5.350   8.605
  351    HA   SER  47           HA       SER  47  -8.147  -2.818  10.045
  352   1HB   SER  47          2HB       SER  47  -8.099  -5.004  11.248
  353   2HB   SER  47          3HB       SER  47  -6.598  -5.405  10.403
  354    HG   SER  47           HG       SER  47  -7.044  -3.553  12.446
  355    H    MET  48           H        MET  48  -6.151  -1.733  10.456
  356    HA   MET  48           HA       MET  48  -4.287  -1.429   8.333
  357   1HB   MET  48          2HB       MET  48  -3.183   0.051   9.587
  358   2HB   MET  48          3HB       MET  48  -4.741   0.070  10.429
  359   1HG   MET  48          2HG       MET  48  -3.744  -1.714  11.944
  360   2HG   MET  48          3HG       MET  48  -2.173  -1.321  11.204
  361   1HE   MET  48          1HE       MET  48  -5.091  -0.078  13.497
  362   2HE   MET  48          2HE       MET  48  -4.535   1.546  13.959
  363   3HE   MET  48          3HE       MET  48  -5.094   1.247  12.303
  364    H    ASP  49           H        ASP  49  -4.608  -3.800  10.984
  365    HA   ASP  49           HA       ASP  49  -1.992  -4.847  10.970
  366   1HB   ASP  49          2HB       ASP  49  -2.850  -6.257  12.457
  367   2HB   ASP  49          3HB       ASP  49  -4.429  -5.521  12.225
  368    H    THR  50           H        THR  50  -4.806  -6.023   9.132
  369    HA   THR  50           HA       THR  50  -3.459  -7.919   7.668
  370    HB   THR  50           HB       THR  50  -5.825  -6.731   6.322
  371    HG1  THR  50           1HG      THR  50  -5.958  -7.395   9.094
  372   1HG2  THR  50          1HG2      THR  50  -6.699  -9.009   6.602
  373   2HG2  THR  50          2HG2      THR  50  -5.029  -9.078   5.997
  374   3HG2  THR  50          3HG2      THR  50  -5.372  -9.410   7.709
  375    H    LEU  51           H        LEU  51  -4.138  -4.508   6.916
  376    HA   LEU  51           HA       LEU  51  -3.135  -4.486   4.234
  377   1HB   LEU  51          2HB       LEU  51  -3.373  -2.330   6.381
  378   2HB   LEU  51          3HB       LEU  51  -2.839  -2.043   4.740
  379    HG   LEU  51           HG       LEU  51  -5.534  -2.176   5.808
  380   1HD1  LEU  51          1HD1      LEU  51  -4.409  -1.729   3.044
  381   2HD1  LEU  51          2HD1      LEU  51  -6.007  -1.161   3.612
  382   3HD1  LEU  51          3HD1      LEU  51  -4.516  -0.480   4.299
  383   1HD2  LEU  51          1HD2      LEU  51  -5.133  -4.049   3.420
  384   2HD2  LEU  51          2HD2      LEU  51  -5.751  -4.520   5.026
  385   3HD2  LEU  51          3HD2      LEU  51  -6.665  -3.413   4.010
  386    H    LEU  52           H        LEU  52  -1.576  -3.289   7.254
  387    HA   LEU  52           HA       LEU  52   0.950  -2.793   6.418
  388   1HB   LEU  52          2HB       LEU  52  -0.197  -2.460   8.647
  389   2HB   LEU  52          3HB       LEU  52   0.003  -4.191   8.945
  390    HG   LEU  52           HG       LEU  52   1.482  -2.706  10.223
  391   1HD1  LEU  52          1HD1      LEU  52   3.609  -3.817   9.846
  392   2HD1  LEU  52          2HD1      LEU  52   2.265  -4.981   9.744
  393   3HD1  LEU  52          3HD1      LEU  52   3.059  -4.404   8.267
  394   1HD2  LEU  52          1HD2      LEU  52   1.569  -0.984   8.436
  395   2HD2  LEU  52          2HD2      LEU  52   3.156  -1.334   9.169
  396   3HD2  LEU  52          3HD2      LEU  52   2.751  -2.013   7.573
  397    H    ALA  53           H        ALA  53  -0.198  -5.934   7.787
  398    HA   ALA  53           HA       ALA  53   2.143  -7.419   7.410
  399   1HB   ALA  53          1HB       ALA  53  -0.762  -8.351   7.282
  400   2HB   ALA  53          2HB       ALA  53   0.656  -9.391   7.539
  401   3HB   ALA  53          3HB       ALA  53   0.218  -8.172   8.753
  402    H    THR  54           H        THR  54  -0.618  -6.890   5.105
  403    HA   THR  54           HA       THR  54   0.585  -8.501   3.089
  404    HB   THR  54           HB       THR  54  -1.615  -6.415   3.042
  405    HG1  THR  54           1HG      THR  54  -2.261  -8.147   4.102
  406   1HG2  THR  54          1HG2      THR  54  -2.214  -7.291   0.859
  407   2HG2  THR  54          2HG2      THR  54  -0.616  -6.566   0.805
  408   3HG2  THR  54          3HG2      THR  54  -0.786  -8.337   0.831
  409    H    LEU  55           H        LEU  55   0.822  -4.993   3.796
  410    HA   LEU  55           HA       LEU  55   2.047  -4.545   1.195
  411   1HB   LEU  55          2HB       LEU  55   1.106  -2.972   3.472
  412   2HB   LEU  55          3HB       LEU  55   2.598  -2.316   2.788
  413    HG   LEU  55           HG       LEU  55  -0.150  -2.545   1.603
  414   1HD1  LEU  55          1HD1      LEU  55   1.970  -0.374   2.021
  415   2HD1  LEU  55          2HD1      LEU  55   0.456  -0.096   1.183
  416   3HD1  LEU  55          3HD1      LEU  55   0.439  -0.611   2.891
  417   1HD2  LEU  55          1HD2      LEU  55   1.123  -3.309  -0.298
  418   2HD2  LEU  55          2HD2      LEU  55   0.767  -1.603  -0.504
  419   3HD2  LEU  55          3HD2      LEU  55   2.402  -2.094   0.004
  420    H    LYS  56           H        LYS  56   3.236  -5.281   4.458
  421    HA   LYS  56           HA       LYS  56   6.010  -5.053   4.013
  422   1HB   LYS  56          2HB       LYS  56   4.194  -6.638   5.756
  423   2HB   LYS  56          3HB       LYS  56   5.720  -7.423   5.400
  424   1HG   LYS  56          2HG       LYS  56   5.793  -6.202   7.440
  425   2HG   LYS  56          3HG       LYS  56   7.012  -5.603   6.313
  426   1HD   LYS  56          2HD       LYS  56   4.415  -4.136   6.264
  427   2HD   LYS  56          3HD       LYS  56   5.236  -4.101   7.836
  428   1HE   LYS  56          2HE       LYS  56   7.220  -3.103   6.936
  429   2HE   LYS  56          3HE       LYS  56   6.659  -3.331   5.282
  430   1HZ   LYS  56          1HZ       LYS  56   5.464  -1.523   7.287
  431   2HZ   LYS  56          2HZ       LYS  56   6.282  -1.056   5.941
  432   3HZ   LYS  56          3HZ       LYS  56   4.840  -1.791   5.787
  433    H    LYS  57           H        LYS  57   3.739  -7.333   2.461
  434    HA   LYS  57           HA       LYS  57   5.726  -9.253   1.720
  435   1HB   LYS  57          2HB       LYS  57   3.142  -8.601   0.284
  436   2HB   LYS  57          3HB       LYS  57   4.106 -10.053   0.085
  437   1HG   LYS  57          2HG       LYS  57   3.603 -10.879   2.264
  438   2HG   LYS  57          3HG       LYS  57   2.959  -9.326   2.802
  439   1HD   LYS  57          2HD       LYS  57   1.132  -9.504   1.128
  440   2HD   LYS  57          3HD       LYS  57   1.691 -11.115   0.683
  441   1HE   LYS  57          2HE       LYS  57   1.009 -12.094   2.688
  442   2HE   LYS  57          3HE       LYS  57   1.135 -10.610   3.622
  443   1HZ   LYS  57          1HZ       LYS  57  -0.942  -9.837   2.713
  444   2HZ   LYS  57          2HZ       LYS  57  -0.997 -11.087   1.637
  445   3HZ   LYS  57          3HZ       LYS  57  -1.138 -11.359   3.246
  446    H    THR  58           H        THR  58   5.162  -6.001   0.516
  447    HA   THR  58           HA       THR  58   6.487  -6.313  -2.080
  448    HB   THR  58           HB       THR  58   6.786  -3.960  -2.002
  449    HG1  THR  58           1HG      THR  58   5.860  -3.912   0.671
  450   1HG2  THR  58          1HG2      THR  58   4.551  -3.116  -1.593
  451   2HG2  THR  58          2HG2      THR  58   4.504  -4.669  -2.461
  452   3HG2  THR  58          3HG2      THR  58   4.113  -4.581  -0.730
  453    H    GLY  59           H        GLY  59   7.500  -6.000   1.278
  454   1HA   GLY  59          2HA       GLY  59   9.416  -5.929   2.330
  455   2HA   GLY  59          3HA       GLY  59  10.102  -6.951   1.045
  456    H    LYS  60           H        LYS  60   8.853  -3.628   0.504
  457    HA   LYS  60           HA       LYS  60  11.647  -2.620   0.213
  458   1HB   LYS  60          2HB       LYS  60   9.368  -1.388  -1.300
  459   2HB   LYS  60          3HB       LYS  60  11.095  -1.529  -1.675
  460   1HG   LYS  60          2HG       LYS  60  10.575  -4.105  -1.888
  461   2HG   LYS  60          3HG       LYS  60   8.897  -3.541  -1.975
  462   1HD   LYS  60          2HD       LYS  60  11.179  -3.156  -3.892
  463   2HD   LYS  60          3HD       LYS  60   9.611  -3.966  -4.136
  464   1HE   LYS  60          2HE       LYS  60   8.457  -1.767  -4.111
  465   2HE   LYS  60          3HE       LYS  60   9.985  -0.938  -3.760
  466   1HZ   LYS  60          1HZ       LYS  60  10.836  -1.710  -5.864
  467   2HZ   LYS  60          2HZ       LYS  60   9.407  -2.435  -6.229
  468   3HZ   LYS  60          3HZ       LYS  60   9.508  -0.806  -6.105
  469    H    THR  61           H        THR  61  10.942   0.079  -0.044
  470    HA   THR  61           HA       THR  61  10.796   0.822   2.611
  471    HB   THR  61           HB       THR  61  10.351   2.742   0.411
  472    HG1  THR  61           1HG      THR  61  12.398   2.390  -0.422
  473   1HG2  THR  61          1HG2      THR  61  12.461   2.595   2.607
  474   2HG2  THR  61          2HG2      THR  61  12.198   3.958   1.499
  475   3HG2  THR  61          3HG2      THR  61  10.953   3.537   2.690
  476    H    VAL  62           H        VAL  62   8.334  -0.500   2.414
  477    HA   VAL  62           HA       VAL  62   6.175   1.447   2.047
  478    HB   VAL  62           HB       VAL  62   4.864  -0.481   3.117
  479   1HG1  VAL  62          1HG1      VAL  62   4.777  -1.772   1.010
  480   2HG1  VAL  62          2HG1      VAL  62   4.712  -0.034   0.731
  481   3HG1  VAL  62          3HG1      VAL  62   6.227  -0.922   0.438
  482   1HG2  VAL  62          1HG2      VAL  62   7.155  -2.233   2.232
  483   2HG2  VAL  62          2HG2      VAL  62   7.071  -1.644   3.896
  484   3HG2  VAL  62          3HG2      VAL  62   5.738  -2.620   3.221
  485    H    SER  63           H        SER  63   6.762   3.079   3.434
  486    HA   SER  63           HA       SER  63   7.070   2.564   6.344
  487   1HB   SER  63          2HB       SER  63   8.560   4.164   5.173
  488   2HB   SER  63          3HB       SER  63   7.148   5.154   4.746
  489    HG   SER  63           HG       SER  63   8.174   4.582   7.339
  490    H    TYR  64           H        TYR  64   5.361   2.783   7.730
  491    HA   TYR  64           HA       TYR  64   2.741   3.345   6.583
  492   1HB   TYR  64          2HB       TYR  64   3.133   1.399   8.072
  493   2HB   TYR  64          3HB       TYR  64   3.574   2.498   9.376
  494    HD1  TYR  64           HD1      TYR  64   1.917   2.028  11.015
  495    HD2  TYR  64           HD2      TYR  64   0.675   2.761   6.945
  496    HE1  TYR  64           HE1      TYR  64  -0.444   2.135  11.736
  497    HE2  TYR  64           HE2      TYR  64  -1.611   3.160   7.728
  498    HH   TYR  64           HH       TYR  64  -2.635   2.414  11.075
  499    H    LEU  65           H        LEU  65   1.455   5.045   7.006
  500    HA   LEU  65           HA       LEU  65   2.382   7.317   8.672
  501   1HB   LEU  65          2HB       LEU  65   0.665   7.292   6.215
  502   2HB   LEU  65          3HB       LEU  65   0.770   8.640   7.344
  503    HG   LEU  65           HG       LEU  65   3.410   8.288   7.015
  504   1HD1  LEU  65          1HD1      LEU  65   3.966   7.700   4.743
  505   2HD1  LEU  65          2HD1      LEU  65   3.144   6.336   5.494
  506   3HD1  LEU  65          3HD1      LEU  65   2.259   7.368   4.349
  507   1HD2  LEU  65          1HD2      LEU  65   2.224  10.336   6.623
  508   2HD2  LEU  65          2HD2      LEU  65   3.321  10.006   5.263
  509   3HD2  LEU  65          3HD2      LEU  65   1.567   9.722   5.083
  510    H    GLY  66           H        GLY  66  -0.002   8.531   9.198
  511   1HA   GLY  66          2HA       GLY  66  -0.932   7.012  11.418
  512   2HA   GLY  66          3HA       GLY  66  -1.569   8.547  10.819
  513    H    LEU  67           H        LEU  67  -3.728   8.051  11.171
  514    HA   LEU  67           HA       LEU  67  -5.044   5.916   9.612
  515   1HB   LEU  67          2HB       LEU  67  -4.447   4.870  11.739
  516   2HB   LEU  67          3HB       LEU  67  -4.946   6.311  12.629
  517    HG   LEU  67           HG       LEU  67  -7.333   5.859  12.014
  518   1HD1  LEU  67          1HD1      LEU  67  -6.182   3.236  10.951
  519   2HD1  LEU  67          2HD1      LEU  67  -7.905   3.561  11.242
  520   3HD1  LEU  67          3HD1      LEU  67  -7.042   4.470  10.007
  521   1HD2  LEU  67          1HD2      LEU  67  -7.585   4.010  13.608
  522   2HD2  LEU  67          2HD2      LEU  67  -5.851   3.643  13.473
  523   3HD2  LEU  67          3HD2      LEU  67  -6.386   5.186  14.173
  524    H    GLU  68           H        GLU  68  -7.307   6.435   9.285
  525    HA   GLU  68           HA       GLU  68  -8.518   8.671  10.668
  526   1HB   GLU  68          2HB       GLU  68  -7.568   9.590   8.438
  527   2HB   GLU  68          3HB       GLU  68  -8.623   8.415   7.634
  528   1HG   GLU  68          2HG       GLU  68 -10.589   9.499   8.810
  529   2HG   GLU  68          3HG       GLU  68  -9.477  10.752   9.387
  Start of MODEL   14
    1   1H    MET   1           H1       MET   1 -12.067   6.465   7.417
    2   2H    MET   1           H2       MET   1 -13.250   6.665   6.349
    3   3H    MET   1           H3       MET   1 -13.584   6.892   7.957
    4    HA   MET   1           HA       MET   1 -13.544   4.649   8.411
    5   1HB   MET   1          2HB       MET   1 -14.803   3.487   6.524
    6   2HB   MET   1          3HB       MET   1 -15.552   4.968   7.124
    7   1HG   MET   1          2HG       MET   1 -13.797   4.889   4.637
    8   2HG   MET   1          3HG       MET   1 -15.535   4.653   4.599
    9   1HE   MET   1          1HE       MET   1 -15.236   6.582   2.680
   10   2HE   MET   1          2HE       MET   1 -14.839   8.273   3.076
   11   3HE   MET   1          3HE       MET   1 -13.573   7.030   3.125
   12    HA   PRO   2           HA       PRO   2  -9.977   3.178   8.473
   13   1HB   PRO   2          2HB       PRO   2  -9.869   0.501   7.383
   14   2HB   PRO   2          3HB       PRO   2  -9.955   1.070   9.058
   15   1HG   PRO   2          2HG       PRO   2 -12.192   0.333   7.203
   16   2HG   PRO   2          3HG       PRO   2 -12.122   0.130   8.976
   17   1HD   PRO   2          2HD       PRO   2 -13.617   2.077   7.898
   18   2HD   PRO   2          3HD       PRO   2 -12.598   2.470   9.314
   19    H    LYS   3           H        LYS   3  -9.250   4.780   7.234
   20    HA   LYS   3           HA       LYS   3  -8.075   4.106   4.594
   21   1HB   LYS   3          2HB       LYS   3  -9.720   6.081   4.959
   22   2HB   LYS   3          3HB       LYS   3  -8.357   6.823   5.820
   23   1HG   LYS   3          2HG       LYS   3  -7.005   6.393   3.649
   24   2HG   LYS   3          3HG       LYS   3  -8.570   6.049   2.904
   25   1HD   LYS   3          2HD       LYS   3  -7.640   8.680   4.176
   26   2HD   LYS   3          3HD       LYS   3  -7.935   8.332   2.475
   27   1HE   LYS   3          2HE       LYS   3  -9.860   9.449   2.970
   28   2HE   LYS   3          3HE       LYS   3 -10.411   7.795   3.252
   29   1HZ   LYS   3          1HZ       LYS   3 -10.143   8.207   5.649
   30   2HZ   LYS   3          2HZ       LYS   3  -9.445   9.686   5.322
   31   3HZ   LYS   3          3HZ       LYS   3 -11.020   9.406   4.982
   32    H    HIS   4           H        HIS   4  -5.872   4.251   4.351
   33    HA   HIS   4           HA       HIS   4  -4.154   4.870   6.720
   34   1HB   HIS   4          2HB       HIS   4  -4.141   2.321   5.052
   35   2HB   HIS   4          3HB       HIS   4  -3.127   2.694   6.446
   36    HD1  HIS   4           1HD      HIS   4  -4.587   2.721   8.877
   37    HD2  HIS   4           2HD      HIS   4  -6.508   1.275   5.419
   38    HE1  HIS   4           1HE      HIS   4  -6.685   1.476   9.653
   39    H    GLU   5           H        GLU   5  -2.486   6.201   5.941
   40    HA   GLU   5           HA       GLU   5  -1.814   6.034   3.050
   41   1HB   GLU   5          2HB       GLU   5  -2.022   8.289   3.907
   42   2HB   GLU   5          3HB       GLU   5  -0.897   7.955   5.211
   43   1HG   GLU   5          2HG       GLU   5   0.912   7.588   3.536
   44   2HG   GLU   5          3HG       GLU   5  -0.264   7.784   2.225
   45    H    PHE   6           H        PHE   6   0.168   5.227   2.420
   46    HA   PHE   6           HA       PHE   6   2.057   4.361   4.510
   47   1HB   PHE   6          2HB       PHE   6   1.115   2.680   2.163
   48   2HB   PHE   6          3HB       PHE   6   2.629   2.398   3.008
   49    HD1  PHE   6           1HD      PHE   6   2.698   0.996   4.960
   50    HD2  PHE   6           2HD      PHE   6  -1.092   2.616   3.652
   51    HE1  PHE   6           1HE      PHE   6   1.522  -0.778   6.148
   52    HE2  PHE   6           2HE      PHE   6  -2.253   0.941   5.045
   53    HZ   PHE   6           HZ       PHE   6  -0.971  -0.841   6.187
   54    H    SER   7           H        SER   7   4.053   5.002   4.047
   55    HA   SER   7           HA       SER   7   4.642   6.387   1.464
   56   1HB   SER   7          2HB       SER   7   5.437   7.479   3.487
   57   2HB   SER   7          3HB       SER   7   6.307   6.013   3.995
   58    HG   SER   7           HG       SER   7   7.615   6.255   2.135
   59    H    VAL   8           H        VAL   8   5.798   5.287  -0.097
   60    HA   VAL   8           HA       VAL   8   6.893   2.583   0.544
   61    HB   VAL   8           HB       VAL   8   4.964   3.247  -1.728
   62   1HG1  VAL   8          1HG1      VAL   8   5.182   0.820  -2.273
   63   2HG1  VAL   8          2HG1      VAL   8   6.723   1.656  -2.461
   64   3HG1  VAL   8          3HG1      VAL   8   6.433   0.653  -1.026
   65   1HG2  VAL   8          1HG2      VAL   8   3.723   2.875   0.363
   66   2HG2  VAL   8          2HG2      VAL   8   3.583   1.413  -0.630
   67   3HG2  VAL   8          3HG2      VAL   8   4.713   1.441   0.722
   68    H    ASP   9           H        ASP   9   8.898   2.420  -0.315
   69    HA   ASP   9           HA       ASP   9   9.983   4.579  -1.927
   70   1HB   ASP   9          2HB       ASP   9  11.053   1.966  -0.848
   71   2HB   ASP   9          3HB       ASP   9  11.980   2.963  -1.963
   72    H    MET  10           H        MET  10   8.211   4.313  -3.533
   73    HA   MET  10           HA       MET  10   9.040   2.454  -5.721
   74   1HB   MET  10          2HB       MET  10   6.706   2.542  -6.454
   75   2HB   MET  10          3HB       MET  10   6.903   1.798  -4.850
   76   1HG   MET  10          2HG       MET  10   5.978   3.799  -3.820
   77   2HG   MET  10          3HG       MET  10   5.852   4.583  -5.400
   78   1HE   MET  10          1HE       MET  10   3.299   5.030  -5.034
   79   2HE   MET  10          2HE       MET  10   2.139   3.803  -4.490
   80   3HE   MET  10          3HE       MET  10   3.472   4.296  -3.417
   81    H    THR  11           H        THR  11   9.366   3.306  -7.724
   82    HA   THR  11           HA       THR  11   8.521   6.026  -8.347
   83    HB   THR  11           HB       THR  11  10.529   6.358  -6.923
   84    HG1  THR  11           1HG      THR  11  11.517   7.790  -8.356
   85   1HG2  THR  11          1HG2      THR  11  12.754   5.834  -7.747
   86   2HG2  THR  11          2HG2      THR  11  11.824   4.335  -7.590
   87   3HG2  THR  11          3HG2      THR  11  12.091   5.056  -9.193
   88    H    CYS  12           HN       CYS  12   8.117   3.233  -9.453
   89    HA   CYS  12           HA       CYS  12   8.159   4.277 -12.095
   90   1HB   CYS  12          2HB       CYS  12   9.309   2.561 -13.267
   91   2HB   CYS  12          3HB       CYS  12  10.419   3.160 -12.045
   92    H    GLY  13           H        GLY  13   6.806   2.976 -13.490
   93   1HA   GLY  13          2HA       GLY  13   4.368   2.088 -12.493
   94   2HA   GLY  13          3HA       GLY  13   5.078   1.588 -14.035
   95    H    GLY  14           H        GLY  14   7.404   0.271 -12.924
   96   1HA   GLY  14          2HA       GLY  14   6.488  -2.355 -12.572
   97   2HA   GLY  14          3HA       GLY  14   8.098  -1.716 -12.139
   98    H    CYS  15           HN       CYS  15   7.574   0.054 -10.107
   99    HA   CYS  15           HA       CYS  15   7.228  -1.762  -7.882
  100   1HB   CYS  15          2HB       CYS  15   7.343   1.251  -8.049
  101   2HB   CYS  15          3HB       CYS  15   7.236   0.310  -6.545
  102    H    ALA  16           H        ALA  16   5.179   0.779  -9.401
  103    HA   ALA  16           HA       ALA  16   2.986   0.588  -7.602
  104   1HB   ALA  16          1HB       ALA  16   2.989   1.179 -10.590
  105   2HB   ALA  16          2HB       ALA  16   1.599   1.380  -9.512
  106   3HB   ALA  16          3HB       ALA  16   3.060   2.350  -9.252
  107    H    GLU  17           H        GLU  17   3.633  -1.274 -10.617
  108    HA   GLU  17           HA       GLU  17   1.416  -2.967 -10.510
  109   1HB   GLU  17          2HB       GLU  17   3.248  -2.735 -12.361
  110   2HB   GLU  17          3HB       GLU  17   4.153  -3.927 -11.422
  111   1HG   GLU  17          2HG       GLU  17   1.852  -5.278 -11.498
  112   2HG   GLU  17          3HG       GLU  17   1.486  -4.165 -12.817
  113    H    ALA  18           H        ALA  18   4.700  -3.438  -9.080
  114    HA   ALA  18           HA       ALA  18   4.267  -5.968  -7.901
  115   1HB   ALA  18          1HB       ALA  18   6.479  -4.851  -8.099
  116   2HB   ALA  18          2HB       ALA  18   5.984  -3.692  -6.843
  117   3HB   ALA  18          3HB       ALA  18   6.141  -5.412  -6.445
  118    H    VAL  19           H        VAL  19   3.762  -2.701  -6.420
  119    HA   VAL  19           HA       VAL  19   2.848  -3.661  -3.933
  120    HB   VAL  19           HB       VAL  19   2.286  -1.112  -5.522
  121   1HG1  VAL  19          1HG1      VAL  19   1.616  -2.012  -2.722
  122   2HG1  VAL  19          2HG1      VAL  19   1.642  -0.281  -3.210
  123   3HG1  VAL  19          3HG1      VAL  19   0.493  -1.393  -3.967
  124   1HG2  VAL  19          1HG2      VAL  19   4.705  -1.571  -4.718
  125   2HG2  VAL  19          2HG2      VAL  19   3.939  -0.088  -4.129
  126   3HG2  VAL  19          3HG2      VAL  19   4.054  -1.504  -3.073
  127    H    SER  20           H        SER  20   1.091  -2.786  -6.928
  128    HA   SER  20           HA       SER  20  -1.507  -3.197  -5.940
  129   1HB   SER  20          2HB       SER  20  -0.818  -2.138  -8.146
  130   2HB   SER  20          3HB       SER  20  -0.530  -3.732  -8.808
  131    HG   SER  20           HG       SER  20  -3.024  -3.001  -7.666
  132    H    ARG  21           H        ARG  21   0.542  -5.406  -7.729
  133    HA   ARG  21           HA       ARG  21  -0.974  -7.711  -7.764
  134   1HB   ARG  21          2HB       ARG  21   0.820  -8.433  -8.796
  135   2HB   ARG  21          3HB       ARG  21   1.679  -6.993  -8.343
  136   1HG   ARG  21          2HG       ARG  21   2.542  -8.058  -6.309
  137   2HG   ARG  21          3HG       ARG  21   1.703  -9.533  -6.706
  138   1HD   ARG  21          2HD       ARG  21   4.162  -8.269  -7.926
  139   2HD   ARG  21          3HD       ARG  21   3.876  -9.931  -7.488
  140    HE   ARG  21           HE       ARG  21   2.916 -10.384  -9.559
  141   1HH1  ARG  21          2HH2      ARG  21   3.448  -6.837  -9.365
  142   2HH1  ARG  21          1HH2      ARG  21   3.554  -6.720 -11.120
  143   1HH2  ARG  21          2HH1      ARG  21   2.957  -9.981 -11.938
  144   2HH2  ARG  21          1HH1      ARG  21   3.205  -8.297 -12.419
  145    H    VAL  22           H        VAL  22   0.851  -6.424  -5.001
  146    HA   VAL  22           HA       VAL  22   0.527  -8.774  -3.312
  147    HB   VAL  22           HB       VAL  22   1.938  -6.119  -3.394
  148   1HG1  VAL  22          1HG1      VAL  22   1.082  -7.385  -0.812
  149   2HG1  VAL  22          2HG1      VAL  22   2.481  -6.291  -0.963
  150   3HG1  VAL  22          3HG1      VAL  22   0.872  -5.702  -1.405
  151   1HG2  VAL  22          1HG2      VAL  22   3.805  -7.277  -2.645
  152   2HG2  VAL  22          2HG2      VAL  22   2.868  -8.781  -2.388
  153   3HG2  VAL  22          3HG2      VAL  22   3.095  -8.119  -4.029
  154    H    LEU  23           H        LEU  23  -0.691  -5.348  -3.278
  155    HA   LEU  23           HA       LEU  23  -2.372  -5.753  -1.027
  156   1HB   LEU  23          2HB       LEU  23  -1.992  -3.687  -3.074
  157   2HB   LEU  23          3HB       LEU  23  -3.659  -3.786  -2.592
  158    HG   LEU  23           HG       LEU  23  -1.347  -3.695  -0.605
  159   1HD1  LEU  23          1HD1      LEU  23  -3.029  -1.381  -1.647
  160   2HD1  LEU  23          2HD1      LEU  23  -1.709  -1.300  -0.461
  161   3HD1  LEU  23          3HD1      LEU  23  -1.347  -1.695  -2.141
  162   1HD2  LEU  23          1HD2      LEU  23  -4.272  -2.903  -0.374
  163   2HD2  LEU  23          2HD2      LEU  23  -3.687  -4.495   0.120
  164   3HD2  LEU  23          3HD2      LEU  23  -3.112  -3.060   0.970
  165    H    ASN  24           H        ASN  24  -2.958  -6.221  -4.505
  166    HA   ASN  24           HA       ASN  24  -5.671  -6.882  -4.508
  167   1HB   ASN  24          2HB       ASN  24  -4.437  -6.704  -6.563
  168   2HB   ASN  24          3HB       ASN  24  -3.292  -7.954  -6.063
  169   1HD2  ASN  24          1HD2      ASN  24  -6.856  -8.063  -5.705
  170   2HD2  ASN  24          2HD2      ASN  24  -7.041  -9.469  -6.734
  171    H    LYS  25           H        LYS  25  -2.922  -8.846  -3.392
  172    HA   LYS  25           HA       LYS  25  -4.436 -11.323  -3.196
  173   1HB   LYS  25          2HB       LYS  25  -1.674 -10.448  -2.774
  174   2HB   LYS  25          3HB       LYS  25  -2.241 -11.346  -1.400
  175   1HG   LYS  25          2HG       LYS  25  -1.340 -12.982  -2.773
  176   2HG   LYS  25          3HG       LYS  25  -3.032 -13.127  -3.232
  177   1HD   LYS  25          2HD       LYS  25  -0.933 -11.435  -4.686
  178   2HD   LYS  25          3HD       LYS  25  -1.282 -13.108  -5.115
  179   1HE   LYS  25          2HE       LYS  25  -3.401 -12.630  -6.018
  180   2HE   LYS  25          3HE       LYS  25  -3.568 -11.125  -5.130
  181   1HZ   LYS  25          1HZ       LYS  25  -1.830 -11.487  -7.428
  182   2HZ   LYS  25          2HZ       LYS  25  -3.188 -10.544  -7.264
  183   3HZ   LYS  25          3HZ       LYS  25  -1.823 -10.168  -6.420
  184    H    LEU  26           H        LEU  26  -4.059  -8.573  -1.063
  185    HA   LEU  26           HA       LEU  26  -5.588  -9.792   1.134
  186   1HB   LEU  26          2HB       LEU  26  -4.127  -7.950   1.544
  187   2HB   LEU  26          3HB       LEU  26  -4.923  -6.922   0.370
  188    HG   LEU  26           HG       LEU  26  -5.475  -6.086   2.393
  189   1HD1  LEU  26          1HD1      LEU  26  -7.788  -6.026   2.449
  190   2HD1  LEU  26          2HD1      LEU  26  -7.388  -6.403   0.755
  191   3HD1  LEU  26          3HD1      LEU  26  -7.976  -7.674   1.853
  192   1HD2  LEU  26          1HD2      LEU  26  -4.890  -8.018   3.784
  193   2HD2  LEU  26          2HD2      LEU  26  -6.403  -7.209   4.247
  194   3HD2  LEU  26          3HD2      LEU  26  -6.454  -8.772   3.379
  195    H    GLY  27           H        GLY  27  -6.259  -7.554  -1.610
  196   1HA   GLY  27          2HA       GLY  27  -7.956  -7.846  -3.178
  197   2HA   GLY  27          3HA       GLY  27  -8.724  -9.069  -2.167
  198    H    GLY  28           H        GLY  28  -9.408  -7.813   0.137
  199   1HA   GLY  28          2HA       GLY  28 -11.657  -6.202  -0.728
  200   2HA   GLY  28          3HA       GLY  28 -11.234  -6.635   0.927
  201    H    VAL  29           H        VAL  29  -9.495  -4.750  -1.569
  202    HA   VAL  29           HA       VAL  29  -9.221  -2.414   0.283
  203    HB   VAL  29           HB       VAL  29  -6.938  -2.169  -0.753
  204   1HG1  VAL  29          1HG1      VAL  29  -6.140  -4.562   0.387
  205   2HG1  VAL  29          2HG1      VAL  29  -6.426  -3.047   1.268
  206   3HG1  VAL  29          3HG1      VAL  29  -7.699  -4.262   1.165
  207   1HG2  VAL  29          1HG2      VAL  29  -7.250  -5.056  -1.666
  208   2HG2  VAL  29          2HG2      VAL  29  -7.377  -3.673  -2.769
  209   3HG2  VAL  29          3HG2      VAL  29  -5.866  -3.972  -1.900
  210    H    LYS  30           H        LYS  30  -9.100  -0.361  -0.787
  211    HA   LYS  30           HA       LYS  30  -8.500  -0.527  -3.612
  212   1HB   LYS  30          2HB       LYS  30 -10.847   1.061  -2.559
  213   2HB   LYS  30          3HB       LYS  30  -9.808   1.846  -3.756
  214   1HG   LYS  30          2HG       LYS  30 -11.031  -0.890  -4.118
  215   2HG   LYS  30          3HG       LYS  30 -11.756   0.602  -4.736
  216   1HD   LYS  30          2HD       LYS  30 -10.335   0.745  -6.520
  217   2HD   LYS  30          3HD       LYS  30  -8.908   0.405  -5.571
  218   1HE   LYS  30          2HE       LYS  30  -9.216  -1.327  -7.253
  219   2HE   LYS  30          3HE       LYS  30  -9.328  -2.006  -5.621
  220   1HZ   LYS  30          1HZ       LYS  30 -11.035  -2.852  -7.079
  221   2HZ   LYS  30          2HZ       LYS  30 -11.705  -2.021  -5.835
  222   3HZ   LYS  30          3HZ       LYS  30 -11.637  -1.343  -7.335
  223    H    TYR  31           H        TYR  31  -7.167   1.331  -4.254
  224    HA   TYR  31           HA       TYR  31  -6.065   2.853  -2.075
  225   1HB   TYR  31          2HB       TYR  31  -3.765   1.840  -2.455
  226   2HB   TYR  31          3HB       TYR  31  -4.901   0.855  -1.554
  227    HD1  TYR  31           HD1      TYR  31  -6.135  -1.068  -2.684
  228    HD2  TYR  31           HD2      TYR  31  -2.622   0.828  -4.285
  229    HE1  TYR  31           HE1      TYR  31  -5.912  -2.894  -4.335
  230    HE2  TYR  31           HE2      TYR  31  -2.309  -1.080  -5.828
  231    HH   TYR  31           HH       TYR  31  -4.630  -3.803  -5.993
  232    H    ASP  32           H        ASP  32  -5.155   4.669  -2.788
  233    HA   ASP  32           HA       ASP  32  -4.861   5.026  -5.734
  234   1HB   ASP  32          2HB       ASP  32  -6.186   6.765  -4.574
  235   2HB   ASP  32          3HB       ASP  32  -4.803   7.114  -3.521
  236    H    ILE  33           H        ILE  33  -2.818   5.986  -6.422
  237    HA   ILE  33           HA       ILE  33  -0.466   4.863  -4.954
  238    HB   ILE  33           HB       ILE  33  -1.605   4.243  -7.697
  239   1HG1  ILE  33          2HG1      ILE  33  -0.700   2.280  -5.559
  240   2HG1  ILE  33          3HG1      ILE  33  -2.344   2.934  -5.555
  241   1HG2  ILE  33          1HG2      ILE  33   0.416   2.812  -8.040
  242   2HG2  ILE  33          2HG2      ILE  33   0.748   4.542  -8.040
  243   3HG2  ILE  33          3HG2      ILE  33   1.142   3.572  -6.603
  244   1HD1  ILE  33          1HD1      ILE  33  -2.611   2.225  -7.989
  245   2HD1  ILE  33          2HD1      ILE  33  -1.211   1.159  -7.710
  246   3HD1  ILE  33          3HD1      ILE  33  -2.704   0.996  -6.761
  247    H    ASP  34           H        ASP  34   0.548   6.825  -4.676
  248    HA   ASP  34           HA       ASP  34   0.849   8.598  -7.071
  249   1HB   ASP  34          2HB       ASP  34   0.059   9.661  -4.966
  250   2HB   ASP  34          3HB       ASP  34   1.624   9.236  -4.235
  251    H    LEU  35           H        LEU  35   2.497   7.906  -8.247
  252    HA   LEU  35           HA       LEU  35   4.760   6.452  -7.112
  253   1HB   LEU  35          2HB       LEU  35   3.923   7.283  -9.878
  254   2HB   LEU  35          3HB       LEU  35   5.625   6.958  -9.561
  255    HG   LEU  35           HG       LEU  35   3.370   4.990  -8.923
  256   1HD1  LEU  35          1HD1      LEU  35   3.467   5.387 -11.360
  257   2HD1  LEU  35          2HD1      LEU  35   5.219   5.075 -11.354
  258   3HD1  LEU  35          3HD1      LEU  35   4.084   3.773 -10.964
  259   1HD2  LEU  35          1HD2      LEU  35   5.451   4.486  -7.661
  260   2HD2  LEU  35          2HD2      LEU  35   5.223   3.297  -8.935
  261   3HD2  LEU  35          3HD2      LEU  35   6.390   4.612  -9.157
  262    HA   PRO  36           HA       PRO  36   7.295  10.334  -8.243
  263   1HB   PRO  36          2HB       PRO  36   5.997  12.797  -8.341
  264   2HB   PRO  36          3HB       PRO  36   6.454  11.799  -9.749
  265   1HG   PRO  36          2HG       PRO  36   3.782  11.924  -8.349
  266   2HG   PRO  36          3HG       PRO  36   4.101  11.951 -10.106
  267   1HD   PRO  36          2HD       PRO  36   3.338   9.698  -8.897
  268   2HD   PRO  36          3HD       PRO  36   4.632   9.622 -10.122
  269    H    ASN  37           H        ASN  37   4.419  10.649  -6.154
  270    HA   ASN  37           HA       ASN  37   6.175  11.757  -3.977
  271   1HB   ASN  37          2HB       ASN  37   3.162  11.555  -3.924
  272   2HB   ASN  37          3HB       ASN  37   4.214  12.288  -2.742
  273   1HD2  ASN  37          1HD2      ASN  37   2.359  12.983  -5.513
  274   2HD2  ASN  37          2HD2      ASN  37   3.048  14.577  -5.836
  275    H    LYS  38           H        LYS  38   5.823   8.842  -5.100
  276    HA   LYS  38           HA       LYS  38   6.031   6.747  -4.229
  277   1HB   LYS  38          2HB       LYS  38   7.964   6.721  -2.806
  278   2HB   LYS  38          3HB       LYS  38   8.155   7.876  -4.104
  279   1HG   LYS  38          2HG       LYS  38   7.823   9.770  -2.655
  280   2HG   LYS  38          3HG       LYS  38   7.305   8.749  -1.310
  281   1HD   LYS  38          2HD       LYS  38  10.090   8.989  -2.502
  282   2HD   LYS  38          3HD       LYS  38   9.522   9.517  -0.904
  283   1HE   LYS  38          2HE       LYS  38   8.880   6.946  -0.595
  284   2HE   LYS  38          3HE       LYS  38   9.993   6.710  -1.953
  285   1HZ   LYS  38          1HZ       LYS  38  11.031   6.417   0.141
  286   2HZ   LYS  38          2HZ       LYS  38  11.736   7.676  -0.637
  287   3HZ   LYS  38          3HZ       LYS  38  10.695   7.944   0.627
  288    H    LYS  39           H        LYS  39   3.573   6.978  -3.525
  289    HA   LYS  39           HA       LYS  39   3.415   6.179  -0.698
  290   1HB   LYS  39          2HB       LYS  39   2.446   8.785  -1.944
  291   2HB   LYS  39          3HB       LYS  39   1.389   8.004  -0.773
  292   1HG   LYS  39          2HG       LYS  39   3.071   8.062   0.939
  293   2HG   LYS  39          3HG       LYS  39   4.261   8.808  -0.156
  294   1HD   LYS  39          2HD       LYS  39   2.859  10.786  -0.442
  295   2HD   LYS  39          3HD       LYS  39   1.506   9.978   0.366
  296   1HE   LYS  39          2HE       LYS  39   3.121   9.794   2.422
  297   2HE   LYS  39          3HE       LYS  39   4.039  11.096   1.651
  298   1HZ   LYS  39          1HZ       LYS  39   2.262  12.543   2.151
  299   2HZ   LYS  39          2HZ       LYS  39   1.133  11.320   1.973
  300   3HZ   LYS  39          3HZ       LYS  39   1.956  11.336   3.298
  301    H    VAL  40           H        VAL  40   1.534   5.099  -0.197
  302    HA   VAL  40           HA       VAL  40  -0.432   4.599  -2.371
  303    HB   VAL  40           HB       VAL  40   0.326   2.736  -0.082
  304   1HG1  VAL  40          1HG1      VAL  40  -1.347   2.311  -2.595
  305   2HG1  VAL  40          2HG1      VAL  40  -1.053   1.117  -1.309
  306   3HG1  VAL  40          3HG1      VAL  40  -1.998   2.583  -0.971
  307   1HG2  VAL  40          1HG2      VAL  40   2.192   2.889  -1.762
  308   2HG2  VAL  40          2HG2      VAL  40   1.407   1.309  -1.672
  309   3HG2  VAL  40          3HG2      VAL  40   1.027   2.407  -3.020
  310    H    CYS  41           H        CYS  41  -2.484   5.254  -1.740
  311    HA   CYS  41           HA       CYS  41  -3.024   5.804   1.183
  312   1HB   CYS  41          2HB       CYS  41  -4.128   7.087  -1.335
  313   2HB   CYS  41          3HB       CYS  41  -4.840   7.288   0.276
  314    HG   CYS  41           HG       CYS  41  -3.466   9.427  -0.364
  315    H    ILE  42           H        ILE  42  -3.815   3.906   1.863
  316    HA   ILE  42           HA       ILE  42  -5.529   2.440   0.016
  317    HB   ILE  42           HB       ILE  42  -4.639   1.508   2.780
  318   1HG1  ILE  42          2HG1      ILE  42  -3.230   1.119   0.122
  319   2HG1  ILE  42          3HG1      ILE  42  -2.648   2.024   1.549
  320   1HG2  ILE  42          1HG2      ILE  42  -5.769   0.115   0.305
  321   2HG2  ILE  42          2HG2      ILE  42  -5.106  -0.770   1.661
  322   3HG2  ILE  42          3HG2      ILE  42  -6.505   0.264   1.904
  323   1HD1  ILE  42          1HD1      ILE  42  -2.311   0.049   2.824
  324   2HD1  ILE  42          2HD1      ILE  42  -2.926  -0.964   1.501
  325   3HD1  ILE  42          3HD1      ILE  42  -1.454  -0.032   1.314
  326    H    GLU  43           H        GLU  43  -7.713   1.934   0.487
  327    HA   GLU  43           HA       GLU  43  -8.759   2.684   3.115
  328   1HB   GLU  43          2HB       GLU  43  -9.502   4.416   1.391
  329   2HB   GLU  43          3HB       GLU  43 -10.410   3.123   0.590
  330   1HG   GLU  43          2HG       GLU  43 -11.737   2.759   2.630
  331   2HG   GLU  43          3HG       GLU  43 -10.706   3.873   3.541
  332    H    SER  44           H        SER  44  -9.691   0.901   4.030
  333    HA   SER  44           HA       SER  44 -10.443  -1.408   2.315
  334   1HB   SER  44          2HB       SER  44  -7.948  -1.427   2.458
  335   2HB   SER  44          3HB       SER  44  -8.065  -1.428   4.233
  336    HG   SER  44           HG       SER  44  -9.190  -3.440   4.017
  337    H    GLU  45           H        GLU  45 -11.965  -2.661   3.351
  338    HA   GLU  45           HA       GLU  45 -12.597  -2.078   6.177
  339   1HB   GLU  45          2HB       GLU  45 -14.332  -2.440   4.351
  340   2HB   GLU  45          3HB       GLU  45 -13.909  -4.160   4.396
  341   1HG   GLU  45          2HG       GLU  45 -14.542  -4.236   6.791
  342   2HG   GLU  45          3HG       GLU  45 -14.844  -2.488   6.784
  343    H    HIS  46           H        HIS  46 -10.163  -2.716   6.406
  344    HA   HIS  46           HA       HIS  46 -10.051  -5.390   7.576
  345   1HB   HIS  46          2HB       HIS  46  -8.103  -4.511   5.389
  346   2HB   HIS  46          3HB       HIS  46  -7.778  -5.786   6.544
  347    HD1  HIS  46           1HD      HIS  46  -8.328  -8.133   5.793
  348    HD2  HIS  46           2HD      HIS  46 -10.345  -5.131   3.648
  349    HE1  HIS  46           1HE      HIS  46  -9.399  -9.255   3.777
  350    H    SER  47           H        SER  47  -8.120  -5.496   8.996
  351    HA   SER  47           HA       SER  47  -7.732  -2.977  10.375
  352   1HB   SER  47          2HB       SER  47  -7.849  -4.955  11.709
  353   2HB   SER  47          3HB       SER  47  -6.621  -5.768  10.728
  354    HG   SER  47           HG       SER  47  -5.273  -5.048  12.066
  355    H    MET  48           H        MET  48  -5.745  -1.960  10.784
  356    HA   MET  48           HA       MET  48  -4.157  -1.514   8.454
  357   1HB   MET  48          2HB       MET  48  -2.999   0.108   9.640
  358   2HB   MET  48          3HB       MET  48  -4.667   0.177  10.230
  359   1HG   MET  48          2HG       MET  48  -3.889  -1.342  12.099
  360   2HG   MET  48          3HG       MET  48  -2.221  -0.985  11.579
  361   1HE   MET  48          1HE       MET  48  -1.620  -0.195  14.016
  362   2HE   MET  48          2HE       MET  48  -2.537   1.046  14.903
  363   3HE   MET  48          3HE       MET  48  -3.292  -0.525  14.541
  364    H    ASP  49           H        ASP  49  -3.797  -3.639  11.269
  365    HA   ASP  49           HA       ASP  49  -1.000  -4.194  10.983
  366   1HB   ASP  49          2HB       ASP  49  -1.311  -5.908  12.501
  367   2HB   ASP  49          3HB       ASP  49  -2.602  -4.796  12.959
  368    H    THR  50           H        THR  50  -3.916  -5.738   9.818
  369    HA   THR  50           HA       THR  50  -2.812  -7.752   8.247
  370    HB   THR  50           HB       THR  50  -5.436  -6.305   7.695
  371    HG1  THR  50           1HG      THR  50  -4.895  -7.173  10.032
  372   1HG2  THR  50          1HG2      THR  50  -4.642  -9.232   7.410
  373   2HG2  THR  50          2HG2      THR  50  -6.192  -8.501   6.951
  374   3HG2  THR  50          3HG2      THR  50  -4.710  -8.076   6.067
  375    H    LEU  51           H        LEU  51  -3.911  -4.440   7.222
  376    HA   LEU  51           HA       LEU  51  -2.946  -4.588   4.554
  377   1HB   LEU  51          2HB       LEU  51  -2.982  -2.191   6.454
  378   2HB   LEU  51          3HB       LEU  51  -2.501  -2.138   4.765
  379    HG   LEU  51           HG       LEU  51  -5.230  -2.392   5.958
  380   1HD1  LEU  51          1HD1      LEU  51  -5.657  -0.761   4.102
  381   2HD1  LEU  51          2HD1      LEU  51  -4.249  -0.260   5.056
  382   3HD1  LEU  51          3HD1      LEU  51  -4.015  -1.050   3.495
  383   1HD2  LEU  51          1HD2      LEU  51  -6.157  -3.141   3.770
  384   2HD2  LEU  51          2HD2      LEU  51  -4.523  -3.510   3.200
  385   3HD2  LEU  51          3HD2      LEU  51  -5.237  -4.414   4.565
  386    H    LEU  52           H        LEU  52  -1.141  -3.538   7.487
  387    HA   LEU  52           HA       LEU  52   1.337  -3.037   6.256
  388   1HB   LEU  52          2HB       LEU  52   0.482  -3.833   8.992
  389   2HB   LEU  52          3HB       LEU  52   2.086  -4.364   8.486
  390    HG   LEU  52           HG       LEU  52   2.479  -1.872   7.822
  391   1HD1  LEU  52          1HD1      LEU  52   0.066  -1.179   8.190
  392   2HD1  LEU  52          2HD1      LEU  52   0.244  -1.592   9.903
  393   3HD1  LEU  52          3HD1      LEU  52   1.208  -0.278   9.208
  394   1HD2  LEU  52          1HD2      LEU  52   3.655  -3.040   9.566
  395   2HD2  LEU  52          2HD2      LEU  52   3.223  -1.409  10.118
  396   3HD2  LEU  52          3HD2      LEU  52   2.292  -2.816  10.693
  397    H    ALA  53           H        ALA  53   0.201  -6.170   7.657
  398    HA   ALA  53           HA       ALA  53   2.524  -7.566   6.852
  399   1HB   ALA  53          1HB       ALA  53   0.924  -8.372   8.595
  400   2HB   ALA  53          2HB       ALA  53  -0.306  -8.648   7.342
  401   3HB   ALA  53          3HB       ALA  53   1.185  -9.615   7.352
  402    H    THR  54           H        THR  54  -0.547  -7.032   5.021
  403    HA   THR  54           HA       THR  54   0.186  -8.618   2.780
  404    HB   THR  54           HB       THR  54  -1.439  -6.037   2.952
  405    HG1  THR  54           1HG      THR  54  -2.113  -8.775   3.235
  406   1HG2  THR  54          1HG2      THR  54  -0.738  -6.658   0.643
  407   2HG2  THR  54          2HG2      THR  54  -1.483  -8.258   0.878
  408   3HG2  THR  54          3HG2      THR  54  -2.467  -6.770   0.925
  409    H    LEU  55           H        LEU  55   0.718  -5.081   3.455
  410    HA   LEU  55           HA       LEU  55   1.863  -4.668   0.836
  411   1HB   LEU  55          2HB       LEU  55   1.343  -3.101   3.297
  412   2HB   LEU  55          3HB       LEU  55   2.712  -2.534   2.319
  413    HG   LEU  55           HG       LEU  55  -0.188  -2.586   1.547
  414   1HD1  LEU  55          1HD1      LEU  55   0.619  -0.066   1.236
  415   2HD1  LEU  55          2HD1      LEU  55   0.331  -0.699   2.875
  416   3HD1  LEU  55          3HD1      LEU  55   1.970  -0.524   2.229
  417   1HD2  LEU  55          1HD2      LEU  55   1.000  -3.173  -0.494
  418   2HD2  LEU  55          2HD2      LEU  55   0.589  -1.460  -0.529
  419   3HD2  LEU  55          3HD2      LEU  55   2.258  -1.951  -0.158
  420    H    LYS  56           H        LYS  56   3.186  -5.406   4.003
  421    HA   LYS  56           HA       LYS  56   5.936  -5.183   3.648
  422   1HB   LYS  56          2HB       LYS  56   4.154  -7.122   5.154
  423   2HB   LYS  56          3HB       LYS  56   5.916  -7.289   5.157
  424   1HG   LYS  56          2HG       LYS  56   6.249  -5.168   6.111
  425   2HG   LYS  56          3HG       LYS  56   4.610  -4.632   5.847
  426   1HD   LYS  56          2HD       LYS  56   5.127  -4.987   8.180
  427   2HD   LYS  56          3HD       LYS  56   3.834  -6.059   7.705
  428   1HE   LYS  56          2HE       LYS  56   6.783  -6.896   7.838
  429   2HE   LYS  56          3HE       LYS  56   5.698  -6.992   9.228
  430   1HZ   LYS  56          1HZ       LYS  56   5.242  -8.405   6.695
  431   2HZ   LYS  56          2HZ       LYS  56   5.864  -9.073   8.063
  432   3HZ   LYS  56          3HZ       LYS  56   4.321  -8.511   8.056
  433    H    LYS  57           H        LYS  57   3.741  -7.571   2.155
  434    HA   LYS  57           HA       LYS  57   5.768  -9.456   1.425
  435   1HB   LYS  57          2HB       LYS  57   3.166  -8.827  -0.004
  436   2HB   LYS  57          3HB       LYS  57   4.138 -10.278  -0.224
  437   1HG   LYS  57          2HG       LYS  57   2.792  -9.495   2.395
  438   2HG   LYS  57          3HG       LYS  57   2.110 -10.572   1.174
  439   1HD   LYS  57          2HD       LYS  57   4.005 -12.156   1.502
  440   2HD   LYS  57          3HD       LYS  57   4.756 -11.033   2.639
  441   1HE   LYS  57          2HE       LYS  57   3.648 -12.779   3.896
  442   2HE   LYS  57          3HE       LYS  57   2.870 -11.217   4.196
  443   1HZ   LYS  57          1HZ       LYS  57   1.286 -12.989   3.867
  444   2HZ   LYS  57          2HZ       LYS  57   1.125 -11.852   2.696
  445   3HZ   LYS  57          3HZ       LYS  57   1.859 -13.290   2.357
  446    H    THR  58           H        THR  58   5.166  -6.242   0.149
  447    HA   THR  58           HA       THR  58   6.398  -6.590  -2.434
  448    HB   THR  58           HB       THR  58   7.052  -4.243  -2.198
  449    HG1  THR  58           1HG      THR  58   5.851  -4.232   0.358
  450   1HG2  THR  58          1HG2      THR  58   4.812  -4.673  -2.957
  451   2HG2  THR  58          2HG2      THR  58   4.215  -4.815  -1.292
  452   3HG2  THR  58          3HG2      THR  58   4.814  -3.255  -1.874
  453    H    GLY  59           H        GLY  59   7.598  -6.296   0.866
  454   1HA   GLY  59          2HA       GLY  59   9.576  -6.296   1.813
  455   2HA   GLY  59          3HA       GLY  59  10.208  -7.330   0.504
  456    H    LYS  60           H        LYS  60   8.849  -4.069   0.073
  457    HA   LYS  60           HA       LYS  60  11.544  -2.947  -0.623
  458   1HB   LYS  60          2HB       LYS  60   8.779  -1.738  -0.855
  459   2HB   LYS  60          3HB       LYS  60  10.285  -1.033  -1.452
  460   1HG   LYS  60          2HG       LYS  60  10.576  -2.722  -3.148
  461   2HG   LYS  60          3HG       LYS  60   9.299  -3.717  -2.480
  462   1HD   LYS  60          2HD       LYS  60   8.454  -2.610  -4.482
  463   2HD   LYS  60          3HD       LYS  60   7.577  -2.109  -3.037
  464   1HE   LYS  60          2HE       LYS  60   7.921  -0.156  -4.361
  465   2HE   LYS  60          3HE       LYS  60   8.916  -0.012  -2.923
  466   1HZ   LYS  60          1HZ       LYS  60   9.747  -0.419  -5.708
  467   2HZ   LYS  60          2HZ       LYS  60  10.289   0.618  -4.565
  468   3HZ   LYS  60          3HZ       LYS  60  10.739  -0.954  -4.476
  469    H    THR  61           H        THR  61  11.768  -0.575   0.338
  470    HA   THR  61           HA       THR  61  11.109  -0.513   3.104
  471    HB   THR  61           HB       THR  61  11.625   2.112   2.165
  472    HG1  THR  61           1HG      THR  61  13.035   1.931   0.587
  473   1HG2  THR  61          1HG2      THR  61  13.880   1.749   3.084
  474   2HG2  THR  61          2HG2      THR  61  12.645   1.069   4.161
  475   3HG2  THR  61          3HG2      THR  61  13.603  -0.005   3.113
  476    H    VAL  62           H        VAL  62   9.141  -0.234   3.900
  477    HA   VAL  62           HA       VAL  62   7.274   1.655   2.658
  478    HB   VAL  62           HB       VAL  62   6.467  -0.419   1.814
  479   1HG1  VAL  62          1HG1      VAL  62   7.669  -2.049   3.211
  480   2HG1  VAL  62          2HG1      VAL  62   6.687  -1.600   4.621
  481   3HG1  VAL  62          3HG1      VAL  62   5.937  -2.386   3.218
  482   1HG2  VAL  62          1HG2      VAL  62   4.767   1.111   2.943
  483   2HG2  VAL  62          2HG2      VAL  62   4.280  -0.585   2.764
  484   3HG2  VAL  62          3HG2      VAL  62   4.823   0.018   4.338
  485    H    SER  63           H        SER  63   5.980   2.731   4.240
  486    HA   SER  63           HA       SER  63   6.014   1.766   6.978
  487   1HB   SER  63          2HB       SER  63   8.102   3.125   6.936
  488   2HB   SER  63          3HB       SER  63   7.147   4.542   6.436
  489    HG   SER  63           HG       SER  63   7.468   4.377   8.746
  490    H    TYR  64           H        TYR  64   4.718   3.438   8.319
  491    HA   TYR  64           HA       TYR  64   2.112   3.548   6.839
  492   1HB   TYR  64          2HB       TYR  64   2.413   1.693   8.413
  493   2HB   TYR  64          3HB       TYR  64   2.839   2.814   9.704
  494    HD1  TYR  64           HD1      TYR  64   0.107   1.486   7.642
  495    HD2  TYR  64           HD2      TYR  64   1.112   4.217  10.806
  496    HE1  TYR  64           HE1      TYR  64  -2.288   1.701   8.205
  497    HE2  TYR  64           HE2      TYR  64  -1.295   4.558  11.271
  498    HH   TYR  64           HH       TYR  64  -3.380   4.373  10.137
  499    H    LEU  65           H        LEU  65   0.878   5.424   6.974
  500    HA   LEU  65           HA       LEU  65   1.586   7.440   8.996
  501   1HB   LEU  65          2HB       LEU  65   1.028   7.987   6.111
  502   2HB   LEU  65          3HB       LEU  65   1.152   9.174   7.410
  503    HG   LEU  65           HG       LEU  65   3.501   7.886   7.845
  504   1HD1  LEU  65          1HD1      LEU  65   4.477   7.231   5.686
  505   2HD1  LEU  65          2HD1      LEU  65   3.028   6.271   6.019
  506   3HD1  LEU  65          3HD1      LEU  65   2.927   7.599   4.860
  507   1HD2  LEU  65          1HD2      LEU  65   3.224  10.261   7.424
  508   2HD2  LEU  65          2HD2      LEU  65   4.565   9.600   6.454
  509   3HD2  LEU  65          3HD2      LEU  65   2.995   9.942   5.685
  510    H    GLY  66           H        GLY  66  -0.209   8.203  10.093
  511   1HA   GLY  66          2HA       GLY  66  -2.283   9.025  10.506
  512   2HA   GLY  66          3HA       GLY  66  -2.570   8.986   8.761
  513    H    LEU  67           H        LEU  67  -4.769   8.621  10.216
  514    HA   LEU  67           HA       LEU  67  -5.584   5.968   9.445
  515   1HB   LEU  67          2HB       LEU  67  -4.776   5.552  11.735
  516   2HB   LEU  67          3HB       LEU  67  -5.698   6.931  12.340
  517    HG   LEU  67           HG       LEU  67  -7.821   5.818  11.747
  518   1HD1  LEU  67          1HD1      LEU  67  -6.025   3.485  10.948
  519   2HD1  LEU  67          2HD1      LEU  67  -7.782   3.375  11.178
  520   3HD1  LEU  67          3HD1      LEU  67  -7.135   4.375   9.878
  521   1HD2  LEU  67          1HD2      LEU  67  -5.960   4.105  13.451
  522   2HD2  LEU  67          2HD2      LEU  67  -6.842   5.547  13.999
  523   3HD2  LEU  67          3HD2      LEU  67  -7.737   4.097  13.510
  524    H    GLU  68           H        GLU  68  -7.531   6.424   8.388
  525    HA   GLU  68           HA       GLU  68  -9.432   8.331   9.588
  526   1HB   GLU  68          2HB       GLU  68  -8.356   8.663   6.794
  527   2HB   GLU  68          3HB       GLU  68  -9.692   9.604   7.542
  528   1HG   GLU  68          2HG       GLU  68  -8.035  10.760   8.911
  529   2HG   GLU  68          3HG       GLU  68  -6.736   9.816   8.145
  Start of MODEL   15
    1   1H    MET   1           H1       MET   1 -11.479   7.609   8.164
    2   2H    MET   1           H2       MET   1 -12.892   8.221   7.615
    3   3H    MET   1           H3       MET   1 -12.808   7.307   9.035
    4    HA   MET   1           HA       MET   1 -13.694   5.922   7.269
    5   1HB   MET   1          2HB       MET   1 -11.002   6.580   5.974
    6   2HB   MET   1          3HB       MET   1 -12.161   5.402   5.369
    7   1HG   MET   1          2HG       MET   1 -12.474   7.325   4.052
    8   2HG   MET   1          3HG       MET   1 -13.847   7.254   5.152
    9   1HE   MET   1          1HE       MET   1 -13.505  11.085   4.786
   10   2HE   MET   1          2HE       MET   1 -13.414   9.815   3.542
   11   3HE   MET   1          3HE       MET   1 -14.616   9.696   4.851
   12    HA   PRO   2           HA       PRO   2 -10.089   3.305   8.754
   13   1HB   PRO   2          2HB       PRO   2 -10.506   0.840   7.806
   14   2HB   PRO   2          3HB       PRO   2 -11.647   1.538   8.982
   15   1HG   PRO   2          2HG       PRO   2 -11.992   1.363   5.978
   16   2HG   PRO   2          3HG       PRO   2 -13.183   0.989   7.249
   17   1HD   PRO   2          2HD       PRO   2 -12.943   3.392   5.852
   18   2HD   PRO   2          3HD       PRO   2 -13.747   3.243   7.438
   19    H    LYS   3           H        LYS   3  -9.110   5.080   7.172
   20    HA   LYS   3           HA       LYS   3  -7.898   3.583   4.911
   21   1HB   LYS   3          2HB       LYS   3  -7.947   5.385   3.456
   22   2HB   LYS   3          3HB       LYS   3  -9.559   5.375   4.177
   23   1HG   LYS   3          2HG       LYS   3  -8.765   7.148   5.773
   24   2HG   LYS   3          3HG       LYS   3  -7.227   7.188   4.894
   25   1HD   LYS   3          2HD       LYS   3  -8.488   7.821   2.806
   26   2HD   LYS   3          3HD       LYS   3  -9.997   7.717   3.709
   27   1HE   LYS   3          2HE       LYS   3  -9.374  10.067   3.611
   28   2HE   LYS   3          3HE       LYS   3  -9.202   9.498   5.275
   29   1HZ   LYS   3          1HZ       LYS   3  -6.796   9.211   4.766
   30   2HZ   LYS   3          2HZ       LYS   3  -7.020  10.014   3.346
   31   3HZ   LYS   3          3HZ       LYS   3  -7.261  10.716   4.825
   32    H    HIS   4           H        HIS   4  -5.754   4.152   4.362
   33    HA   HIS   4           HA       HIS   4  -4.131   5.230   6.606
   34   1HB   HIS   4          2HB       HIS   4  -3.547   2.472   5.559
   35   2HB   HIS   4          3HB       HIS   4  -3.178   3.171   7.129
   36    HD1  HIS   4           1HD      HIS   4  -5.908   1.297   5.212
   37    HD2  HIS   4           2HD      HIS   4  -5.249   3.059   8.969
   38    HE1  HIS   4           1HE      HIS   4  -7.752   0.432   6.751
   39    H    GLU   5           H        GLU   5  -2.456   6.372   5.664
   40    HA   GLU   5           HA       GLU   5  -1.769   5.805   2.847
   41   1HB   GLU   5          2HB       GLU   5  -1.850   8.196   3.639
   42   2HB   GLU   5          3HB       GLU   5  -0.446   7.845   4.649
   43   1HG   GLU   5          2HG       GLU   5   0.622   6.950   2.383
   44   2HG   GLU   5          3HG       GLU   5  -0.673   7.862   1.625
   45    H    PHE   6           H        PHE   6   0.007   4.727   2.269
   46    HA   PHE   6           HA       PHE   6   2.118   4.072   4.261
   47   1HB   PHE   6          2HB       PHE   6   1.018   2.333   2.026
   48   2HB   PHE   6          3HB       PHE   6   2.582   2.076   2.789
   49    HD1  PHE   6           1HD      PHE   6  -1.101   2.365   3.691
   50    HD2  PHE   6           2HD      PHE   6   2.742   0.646   4.679
   51    HE1  PHE   6           1HE      PHE   6  -2.171   0.796   5.269
   52    HE2  PHE   6           2HE      PHE   6   1.665  -0.903   6.175
   53    HZ   PHE   6           HZ       PHE   6  -0.825  -0.856   6.506
   54    H    SER   7           H        SER   7   3.745   5.359   3.778
   55    HA   SER   7           HA       SER   7   4.083   6.469   1.073
   56   1HB   SER   7          2HB       SER   7   4.493   7.906   2.890
   57   2HB   SER   7          3HB       SER   7   5.699   6.813   3.612
   58    HG   SER   7           HG       SER   7   6.654   8.497   2.345
   59    H    VAL   8           H        VAL   8   5.183   5.379  -0.432
   60    HA   VAL   8           HA       VAL   8   6.678   2.898   0.368
   61    HB   VAL   8           HB       VAL   8   4.858   3.304  -2.015
   62   1HG1  VAL   8          1HG1      VAL   8   6.829   1.963  -2.656
   63   2HG1  VAL   8          2HG1      VAL   8   6.601   0.925  -1.234
   64   3HG1  VAL   8          3HG1      VAL   8   5.406   0.937  -2.545
   65   1HG2  VAL   8          1HG2      VAL   8   3.603   2.785   0.064
   66   2HG2  VAL   8          2HG2      VAL   8   3.580   1.395  -1.032
   67   3HG2  VAL   8          3HG2      VAL   8   4.672   1.403   0.358
   68    H    ASP   9           H        ASP   9   8.739   3.165  -0.093
   69    HA   ASP   9           HA       ASP   9   9.760   5.185  -1.835
   70   1HB   ASP   9          2HB       ASP   9  10.909   4.221   0.118
   71   2HB   ASP   9          3HB       ASP   9  11.009   2.662  -0.740
   72    H    MET  10           H        MET  10   8.332   4.689  -3.668
   73    HA   MET  10           HA       MET  10   8.896   2.412  -5.386
   74   1HB   MET  10          2HB       MET  10   7.522   5.071  -5.979
   75   2HB   MET  10          3HB       MET  10   7.483   3.645  -7.012
   76   1HG   MET  10          2HG       MET  10   6.293   2.398  -5.187
   77   2HG   MET  10          3HG       MET  10   6.252   3.904  -4.260
   78   1HE   MET  10          1HE       MET  10   2.540   3.777  -5.163
   79   2HE   MET  10          2HE       MET  10   3.613   2.490  -4.555
   80   3HE   MET  10          3HE       MET  10   3.731   4.152  -3.906
   81    H    THR  11           H        THR  11   9.457   3.049  -7.773
   82    HA   THR  11           HA       THR  11  11.175   5.393  -8.055
   83    HB   THR  11           HB       THR  11  12.410   2.709  -8.791
   84    HG1  THR  11           1HG      THR  11  12.396   4.084  -6.365
   85   1HG2  THR  11          1HG2      THR  11  14.469   4.075  -8.867
   86   2HG2  THR  11          2HG2      THR  11  13.249   4.741  -9.972
   87   3HG2  THR  11          3HG2      THR  11  13.542   5.516  -8.398
   88    H    CYS  12           HN       CYS  12   9.994   2.357  -9.585
   89    HA   CYS  12           HA       CYS  12   9.218   3.923 -11.994
   90   1HB   CYS  12          2HB       CYS  12   9.651   1.783 -13.234
   91   2HB   CYS  12          3HB       CYS  12  11.098   2.563 -12.605
   92    H    GLY  13           H        GLY  13   7.424   2.890 -13.112
   93   1HA   GLY  13          2HA       GLY  13   5.066   2.505 -11.783
   94   2HA   GLY  13          3HA       GLY  13   5.449   1.741 -13.334
   95    H    GLY  14           H        GLY  14   7.420   0.000 -12.664
   96   1HA   GLY  14          2HA       GLY  14   6.399  -2.351 -11.938
   97   2HA   GLY  14          3HA       GLY  14   8.069  -1.875 -11.565
   98    H    CYS  15           HN       CYS  15   7.560   0.086  -9.524
   99    HA   CYS  15           HA       CYS  15   7.294  -1.725  -7.274
  100   1HB   CYS  15          2HB       CYS  15   7.369   1.303  -7.396
  101   2HB   CYS  15          3HB       CYS  15   7.579   0.313  -5.942
  102    H    ALA  16           H        ALA  16   5.210   0.762  -8.775
  103    HA   ALA  16           HA       ALA  16   3.082   0.618  -6.819
  104   1HB   ALA  16          1HB       ALA  16   1.757   1.704  -8.602
  105   2HB   ALA  16          2HB       ALA  16   3.273   2.565  -8.262
  106   3HB   ALA  16          3HB       ALA  16   3.111   1.564  -9.723
  107    H    GLU  17           H        GLU  17   3.707  -0.901 -10.004
  108    HA   GLU  17           HA       GLU  17   1.363  -2.454 -10.226
  109   1HB   GLU  17          2HB       GLU  17   4.210  -2.985 -11.162
  110   2HB   GLU  17          3HB       GLU  17   2.803  -3.887 -11.722
  111   1HG   GLU  17          2HG       GLU  17   1.893  -2.027 -12.863
  112   2HG   GLU  17          3HG       GLU  17   2.880  -0.853 -11.991
  113    H    ALA  18           H        ALA  18   4.550  -3.308  -8.783
  114    HA   ALA  18           HA       ALA  18   3.924  -5.906  -7.901
  115   1HB   ALA  18          1HB       ALA  18   5.757  -3.847  -6.607
  116   2HB   ALA  18          2HB       ALA  18   5.771  -5.595  -6.305
  117   3HB   ALA  18          3HB       ALA  18   6.205  -4.971  -7.912
  118    H    VAL  19           H        VAL  19   3.626  -2.744  -6.084
  119    HA   VAL  19           HA       VAL  19   2.520  -3.875  -3.767
  120    HB   VAL  19           HB       VAL  19   2.306  -1.127  -5.078
  121   1HG1  VAL  19          1HG1      VAL  19   1.040  -2.288  -2.614
  122   2HG1  VAL  19          2HG1      VAL  19   1.409  -0.542  -2.715
  123   3HG1  VAL  19          3HG1      VAL  19   0.303  -1.256  -3.893
  124   1HG2  VAL  19          1HG2      VAL  19   3.721  -2.138  -2.563
  125   2HG2  VAL  19          2HG2      VAL  19   4.514  -1.725  -4.101
  126   3HG2  VAL  19          3HG2      VAL  19   3.704  -0.468  -3.164
  127    H    SER  20           H        SER  20   0.919  -2.656  -6.747
  128    HA   SER  20           HA       SER  20  -1.754  -3.008  -5.889
  129   1HB   SER  20          2HB       SER  20  -0.815  -1.980  -8.098
  130   2HB   SER  20          3HB       SER  20  -0.789  -3.617  -8.738
  131    HG   SER  20           HG       SER  20  -2.757  -2.551  -9.209
  132    H    ARG  21           H        ARG  21   0.407  -5.275  -7.560
  133    HA   ARG  21           HA       ARG  21  -1.244  -7.571  -7.511
  134   1HB   ARG  21          2HB       ARG  21   0.514  -8.225  -8.652
  135   2HB   ARG  21          3HB       ARG  21   1.550  -6.973  -7.996
  136   1HG   ARG  21          2HG       ARG  21   2.157  -8.349  -6.079
  137   2HG   ARG  21          3HG       ARG  21   1.082  -9.648  -6.616
  138   1HD   ARG  21          2HD       ARG  21   3.485  -8.500  -8.103
  139   2HD   ARG  21          3HD       ARG  21   3.460 -10.037  -7.210
  140    HE   ARG  21           HE       ARG  21   1.384 -10.228  -9.058
  141   1HH1  ARG  21          2HH2      ARG  21   4.881  -9.822  -9.183
  142   2HH1  ARG  21          1HH2      ARG  21   5.082 -10.534 -10.753
  143   1HH2  ARG  21          2HH1      ARG  21   1.600 -11.187 -11.159
  144   2HH2  ARG  21          1HH1      ARG  21   3.161 -11.347 -11.890
  145    H    VAL  22           H        VAL  22   0.963  -6.402  -4.937
  146    HA   VAL  22           HA       VAL  22   0.590  -8.667  -3.247
  147    HB   VAL  22           HB       VAL  22   2.288  -6.488  -3.323
  148   1HG1  VAL  22          1HG1      VAL  22   2.186  -5.355  -1.153
  149   2HG1  VAL  22          2HG1      VAL  22   0.743  -4.958  -2.045
  150   3HG1  VAL  22          3HG1      VAL  22   0.679  -6.156  -0.740
  151   1HG2  VAL  22          1HG2      VAL  22   3.301  -7.359  -1.322
  152   2HG2  VAL  22          2HG2      VAL  22   1.851  -8.332  -0.974
  153   3HG2  VAL  22          3HG2      VAL  22   2.838  -8.673  -2.426
  154    H    LEU  23           H        LEU  23  -0.943  -5.498  -3.357
  155    HA   LEU  23           HA       LEU  23  -2.588  -5.947  -1.036
  156   1HB   LEU  23          2HB       LEU  23  -2.156  -3.808  -3.013
  157   2HB   LEU  23          3HB       LEU  23  -3.804  -3.879  -2.507
  158    HG   LEU  23           HG       LEU  23  -1.438  -3.937  -0.573
  159   1HD1  LEU  23          1HD1      LEU  23  -1.665  -1.563  -0.338
  160   2HD1  LEU  23          2HD1      LEU  23  -1.461  -1.881  -2.056
  161   3HD1  LEU  23          3HD1      LEU  23  -3.087  -1.526  -1.422
  162   1HD2  LEU  23          1HD2      LEU  23  -3.750  -4.700   0.254
  163   2HD2  LEU  23          2HD2      LEU  23  -3.146  -3.249   1.069
  164   3HD2  LEU  23          3HD2      LEU  23  -4.344  -3.111  -0.241
  165    H    ASN  24           H        ASN  24  -3.022  -6.282  -4.596
  166    HA   ASN  24           HA       ASN  24  -5.802  -6.780  -4.562
  167   1HB   ASN  24          2HB       ASN  24  -4.605  -6.261  -6.615
  168   2HB   ASN  24          3HB       ASN  24  -3.680  -7.769  -6.504
  169   1HD2  ASN  24          1HD2      ASN  24  -6.985  -8.214  -5.469
  170   2HD2  ASN  24          2HD2      ASN  24  -7.524  -8.871  -6.997
  171    H    LYS  25           H        LYS  25  -3.001  -8.994  -4.140
  172    HA   LYS  25           HA       LYS  25  -4.406 -11.382  -3.851
  173   1HB   LYS  25          2HB       LYS  25  -1.801 -10.288  -3.123
  174   2HB   LYS  25          3HB       LYS  25  -2.335 -11.384  -1.892
  175   1HG   LYS  25          2HG       LYS  25  -2.451 -12.113  -4.861
  176   2HG   LYS  25          3HG       LYS  25  -0.931 -12.160  -3.988
  177   1HD   LYS  25          2HD       LYS  25  -1.886 -14.373  -4.117
  178   2HD   LYS  25          3HD       LYS  25  -1.719 -13.836  -2.439
  179   1HE   LYS  25          2HE       LYS  25  -4.098 -13.417  -2.258
  180   2HE   LYS  25          3HE       LYS  25  -4.352 -13.694  -3.995
  181   1HZ   LYS  25          1HZ       LYS  25  -5.014 -15.540  -2.653
  182   2HZ   LYS  25          2HZ       LYS  25  -3.772 -15.987  -3.630
  183   3HZ   LYS  25          3HZ       LYS  25  -3.509 -15.714  -2.024
  184    H    LEU  26           H        LEU  26  -4.234  -8.702  -1.496
  185    HA   LEU  26           HA       LEU  26  -5.790 -10.122   0.552
  186   1HB   LEU  26          2HB       LEU  26  -4.271  -8.350   1.143
  187   2HB   LEU  26          3HB       LEU  26  -5.095  -7.190   0.125
  188    HG   LEU  26           HG       LEU  26  -5.608  -6.578   2.201
  189   1HD1  LEU  26          1HD1      LEU  26  -7.933  -6.590   2.390
  190   2HD1  LEU  26          2HD1      LEU  26  -7.614  -6.748   0.651
  191   3HD1  LEU  26          3HD1      LEU  26  -8.118  -8.159   1.618
  192   1HD2  LEU  26          1HD2      LEU  26  -4.934  -8.621   3.399
  193   2HD2  LEU  26          2HD2      LEU  26  -6.450  -7.904   3.976
  194   3HD2  LEU  26          3HD2      LEU  26  -6.492  -9.376   2.966
  195    H    GLY  27           H        GLY  27  -6.405  -7.639  -1.970
  196   1HA   GLY  27          2HA       GLY  27  -8.073  -7.689  -3.557
  197   2HA   GLY  27          3HA       GLY  27  -8.814  -9.078  -2.759
  198    H    GLY  28           H        GLY  28  -9.513  -8.178  -0.307
  199   1HA   GLY  28          2HA       GLY  28 -11.817  -6.497  -0.838
  200   2HA   GLY  28          3HA       GLY  28 -11.301  -7.138   0.726
  201    H    VAL  29           H        VAL  29  -9.720  -4.908  -1.599
  202    HA   VAL  29           HA       VAL  29  -9.552  -2.729   0.425
  203    HB   VAL  29           HB       VAL  29  -7.185  -2.382  -0.418
  204   1HG1  VAL  29          1HG1      VAL  29  -6.350  -4.754   0.694
  205   2HG1  VAL  29          2HG1      VAL  29  -6.827  -3.313   1.608
  206   3HG1  VAL  29          3HG1      VAL  29  -7.985  -4.620   1.352
  207   1HG2  VAL  29          1HG2      VAL  29  -7.429  -3.795  -2.515
  208   2HG2  VAL  29          2HG2      VAL  29  -5.976  -4.099  -1.559
  209   3HG2  VAL  29          3HG2      VAL  29  -7.343  -5.229  -1.472
  210    H    LYS  30           H        LYS  30  -9.238  -0.613  -0.686
  211    HA   LYS  30           HA       LYS  30  -8.434  -0.946  -3.414
  212   1HB   LYS  30          2HB       LYS  30 -10.896   0.661  -2.789
  213   2HB   LYS  30          3HB       LYS  30  -9.726   1.354  -3.906
  214   1HG   LYS  30          2HG       LYS  30 -11.137  -1.308  -4.260
  215   2HG   LYS  30          3HG       LYS  30 -11.453   0.200  -5.080
  216   1HD   LYS  30          2HD       LYS  30 -10.216  -0.640  -6.735
  217   2HD   LYS  30          3HD       LYS  30  -8.886   0.075  -5.852
  218   1HE   LYS  30          2HE       LYS  30  -8.591  -2.264  -6.832
  219   2HE   LYS  30          3HE       LYS  30  -8.060  -2.067  -5.177
  220   1HZ   LYS  30          1HZ       LYS  30  -9.327  -4.086  -5.535
  221   2HZ   LYS  30          2HZ       LYS  30 -10.010  -3.127  -4.407
  222   3HZ   LYS  30          3HZ       LYS  30 -10.673  -3.215  -5.920
  223    H    TYR  31           H        TYR  31  -7.252   0.932  -4.168
  224    HA   TYR  31           HA       TYR  31  -6.039   2.455  -2.014
  225   1HB   TYR  31          2HB       TYR  31  -3.781   1.441  -2.725
  226   2HB   TYR  31          3HB       TYR  31  -4.815   0.475  -1.690
  227    HD1  TYR  31           HD1      TYR  31  -5.846  -1.613  -2.439
  228    HD2  TYR  31           HD2      TYR  31  -3.517   0.810  -5.103
  229    HE1  TYR  31           HE1      TYR  31  -5.811  -3.471  -4.108
  230    HE2  TYR  31           HE2      TYR  31  -3.512  -1.027  -6.780
  231    HH   TYR  31           HH       TYR  31  -3.974  -3.272  -7.134
  232    H    ASP  32           H        ASP  32  -5.365   4.345  -2.744
  233    HA   ASP  32           HA       ASP  32  -5.220   4.798  -5.687
  234   1HB   ASP  32          2HB       ASP  32  -6.567   6.453  -4.479
  235   2HB   ASP  32          3HB       ASP  32  -5.216   6.781  -3.381
  236    H    ILE  33           H        ILE  33  -3.242   5.868  -6.389
  237    HA   ILE  33           HA       ILE  33  -0.782   4.870  -5.004
  238    HB   ILE  33           HB       ILE  33  -2.011   4.025  -7.635
  239   1HG1  ILE  33          2HG1      ILE  33  -0.441   2.235  -5.732
  240   2HG1  ILE  33          3HG1      ILE  33  -2.102   2.688  -5.352
  241   1HG2  ILE  33          1HG2      ILE  33   0.951   3.836  -6.993
  242   2HG2  ILE  33          2HG2      ILE  33   0.108   3.069  -8.363
  243   3HG2  ILE  33          3HG2      ILE  33   0.208   4.808  -8.284
  244   1HD1  ILE  33          1HD1      ILE  33  -1.421   1.487  -8.061
  245   2HD1  ILE  33          2HD1      ILE  33  -1.812   0.521  -6.641
  246   3HD1  ILE  33          3HD1      ILE  33  -3.011   1.666  -7.284
  247    H    ASP  34           H        ASP  34   0.492   6.635  -4.940
  248    HA   ASP  34           HA       ASP  34   0.553   8.446  -7.325
  249   1HB   ASP  34          2HB       ASP  34  -0.209   9.577  -5.257
  250   2HB   ASP  34          3HB       ASP  34   1.334   9.151  -4.491
  251    H    LEU  35           H        LEU  35   2.214   7.918  -8.515
  252    HA   LEU  35           HA       LEU  35   4.525   6.458  -7.515
  253   1HB   LEU  35          2HB       LEU  35   3.530   7.399 -10.181
  254   2HB   LEU  35          3HB       LEU  35   5.264   7.168  -9.991
  255    HG   LEU  35           HG       LEU  35   3.348   5.006  -9.061
  256   1HD1  LEU  35          1HD1      LEU  35   4.300   5.310 -11.937
  257   2HD1  LEU  35          2HD1      LEU  35   3.372   3.953 -11.260
  258   3HD1  LEU  35          3HD1      LEU  35   2.633   5.556 -11.365
  259   1HD2  LEU  35          1HD2      LEU  35   6.120   4.825 -10.348
  260   2HD2  LEU  35          2HD2      LEU  35   5.844   4.843  -8.602
  261   3HD2  LEU  35          3HD2      LEU  35   5.226   3.503  -9.584
  262    HA   PRO  36           HA       PRO  36   7.011  10.373  -8.579
  263   1HB   PRO  36          2HB       PRO  36   5.714  12.846  -8.572
  264   2HB   PRO  36          3HB       PRO  36   6.132  11.885 -10.018
  265   1HG   PRO  36          2HG       PRO  36   3.499  11.962  -8.535
  266   2HG   PRO  36          3HG       PRO  36   3.767  12.049 -10.299
  267   1HD   PRO  36          2HD       PRO  36   3.046   9.749  -9.153
  268   2HD   PRO  36          3HD       PRO  36   4.323   9.723 -10.400
  269    H    ASN  37           H        ASN  37   4.201  10.714  -6.400
  270    HA   ASN  37           HA       ASN  37   5.960  11.985  -4.332
  271   1HB   ASN  37          2HB       ASN  37   2.974  11.490  -4.204
  272   2HB   ASN  37          3HB       ASN  37   3.963  12.288  -3.006
  273   1HD2  ASN  37          1HD2      ASN  37   2.047  12.911  -5.759
  274   2HD2  ASN  37          2HD2      ASN  37   2.626  14.552  -6.040
  275    H    LYS  38           H        LYS  38   5.343   8.858  -5.318
  276    HA   LYS  38           HA       LYS  38   5.822   6.868  -4.397
  277   1HB   LYS  38          2HB       LYS  38   7.489   8.609  -2.510
  278   2HB   LYS  38          3HB       LYS  38   7.752   6.915  -2.872
  279   1HG   LYS  38          2HG       LYS  38   7.727   7.811  -5.394
  280   2HG   LYS  38          3HG       LYS  38   8.270   9.300  -4.620
  281   1HD   LYS  38          2HD       LYS  38   9.475   6.501  -4.422
  282   2HD   LYS  38          3HD       LYS  38  10.082   7.791  -5.464
  283   1HE   LYS  38          2HE       LYS  38  10.671   9.134  -3.462
  284   2HE   LYS  38          3HE       LYS  38  10.027   7.863  -2.404
  285   1HZ   LYS  38          1HZ       LYS  38  11.699   6.358  -3.213
  286   2HZ   LYS  38          2HZ       LYS  38  12.271   7.451  -4.285
  287   3HZ   LYS  38          3HZ       LYS  38  12.419   7.679  -2.656
  288    H    LYS  39           H        LYS  39   3.323   7.282  -3.709
  289    HA   LYS  39           HA       LYS  39   3.084   6.495  -0.849
  290   1HB   LYS  39          2HB       LYS  39   1.847   8.877  -2.256
  291   2HB   LYS  39          3HB       LYS  39   1.076   8.150  -0.863
  292   1HG   LYS  39          2HG       LYS  39   2.905   8.682   0.574
  293   2HG   LYS  39          3HG       LYS  39   3.939   9.168  -0.773
  294   1HD   LYS  39          2HD       LYS  39   2.475  11.005  -1.376
  295   2HD   LYS  39          3HD       LYS  39   1.275  10.542  -0.163
  296   1HE   LYS  39          2HE       LYS  39   4.134  11.374   0.535
  297   2HE   LYS  39          3HE       LYS  39   2.788  12.520   0.403
  298   1HZ   LYS  39          1HZ       LYS  39   3.022  11.831   2.694
  299   2HZ   LYS  39          2HZ       LYS  39   1.608  11.196   2.099
  300   3HZ   LYS  39          3HZ       LYS  39   2.832  10.236   2.287
  301    H    VAL  40           H        VAL  40   1.262   5.309  -0.335
  302    HA   VAL  40           HA       VAL  40  -0.653   4.675  -2.503
  303    HB   VAL  40           HB       VAL  40   0.481   2.750  -0.419
  304   1HG1  VAL  40          1HG1      VAL  40  -0.753   1.052  -1.698
  305   2HG1  VAL  40          2HG1      VAL  40  -1.861   2.319  -1.139
  306   3HG1  VAL  40          3HG1      VAL  40  -1.330   2.298  -2.832
  307   1HG2  VAL  40          1HG2      VAL  40   2.209   3.235  -2.071
  308   2HG2  VAL  40          2HG2      VAL  40   1.545   1.628  -2.357
  309   3HG2  VAL  40          3HG2      VAL  40   1.040   2.979  -3.398
  310    H    CYS  41           H        CYS  41  -2.677   5.249  -1.806
  311    HA   CYS  41           HA       CYS  41  -3.192   5.631   1.150
  312   1HB   CYS  41          2HB       CYS  41  -4.432   6.887  -1.319
  313   2HB   CYS  41          3HB       CYS  41  -5.121   7.026   0.307
  314    HG   CYS  41           HG       CYS  41  -3.878   9.231  -0.445
  315    H    ILE  42           H        ILE  42  -3.950   3.732   1.888
  316    HA   ILE  42           HA       ILE  42  -5.675   2.217   0.055
  317    HB   ILE  42           HB       ILE  42  -4.613   1.241   2.718
  318   1HG1  ILE  42          2HG1      ILE  42  -3.266   0.916   0.015
  319   2HG1  ILE  42          3HG1      ILE  42  -2.704   1.936   1.364
  320   1HG2  ILE  42          1HG2      ILE  42  -6.474  -0.054   1.815
  321   2HG2  ILE  42          2HG2      ILE  42  -5.753  -0.085   0.205
  322   3HG2  ILE  42          3HG2      ILE  42  -5.033  -1.014   1.497
  323   1HD1  ILE  42          1HD1      ILE  42  -1.430  -0.046   1.262
  324   2HD1  ILE  42          2HD1      ILE  42  -2.288   0.073   2.785
  325   3HD1  ILE  42          3HD1      ILE  42  -2.837  -1.065   1.533
  326    H    GLU  43           H        GLU  43  -7.863   1.879   0.510
  327    HA   GLU  43           HA       GLU  43  -8.801   2.504   3.253
  328   1HB   GLU  43          2HB       GLU  43  -9.521   4.286   1.684
  329   2HB   GLU  43          3HB       GLU  43 -10.431   3.087   0.750
  330   1HG   GLU  43          2HG       GLU  43 -11.911   2.645   2.597
  331   2HG   GLU  43          3HG       GLU  43 -10.843   3.441   3.757
  332    H    SER  44           H        SER  44  -9.730   0.792   4.211
  333    HA   SER  44           HA       SER  44 -10.976  -1.327   2.660
  334   1HB   SER  44          2HB       SER  44  -8.531  -1.904   2.440
  335   2HB   SER  44          3HB       SER  44  -8.416  -1.897   4.213
  336    HG   SER  44           HG       SER  44  -9.943  -3.670   2.580
  337    H    GLU  45           H        GLU  45 -12.203  -2.675   4.002
  338    HA   GLU  45           HA       GLU  45 -12.714  -1.856   6.734
  339   1HB   GLU  45          2HB       GLU  45 -14.379  -2.956   5.183
  340   2HB   GLU  45          3HB       GLU  45 -13.451  -4.461   5.308
  341   1HG   GLU  45          2HG       GLU  45 -13.895  -4.522   7.742
  342   2HG   GLU  45          3HG       GLU  45 -14.731  -2.962   7.640
  343    H    HIS  46           H        HIS  46 -10.403  -3.978   5.056
  344    HA   HIS  46           HA       HIS  46  -9.717  -5.613   7.358
  345   1HB   HIS  46          2HB       HIS  46  -8.152  -4.961   4.829
  346   2HB   HIS  46          3HB       HIS  46  -7.667  -6.102   6.067
  347    HD1  HIS  46           1HD      HIS  46  -8.175  -8.505   5.426
  348    HD2  HIS  46           2HD      HIS  46 -10.728  -5.689   3.642
  349    HE1  HIS  46           1HE      HIS  46  -9.507  -9.745   3.657
  350    H    SER  47           H        SER  47  -8.635  -4.897   9.098
  351    HA   SER  47           HA       SER  47  -7.992  -2.211   9.447
  352   1HB   SER  47          2HB       SER  47  -8.480  -3.874  11.262
  353   2HB   SER  47          3HB       SER  47  -6.810  -4.470  11.095
  354    HG   SER  47           HG       SER  47  -6.210  -2.808  12.230
  355    H    MET  48           H        MET  48  -6.091  -1.169   9.969
  356    HA   MET  48           HA       MET  48  -4.163  -1.008   8.007
  357   1HB   MET  48          2HB       MET  48  -3.038   0.516   9.450
  358   2HB   MET  48          3HB       MET  48  -4.776   0.661   9.752
  359   1HG   MET  48          2HG       MET  48  -4.369  -1.065  11.638
  360   2HG   MET  48          3HG       MET  48  -2.673  -0.553  11.497
  361   1HE   MET  48          1HE       MET  48  -3.815   1.142  14.796
  362   2HE   MET  48          2HE       MET  48  -4.206  -0.484  14.180
  363   3HE   MET  48          3HE       MET  48  -2.563   0.172  13.984
  364    H    ASP  49           H        ASP  49  -4.203  -3.072  10.873
  365    HA   ASP  49           HA       ASP  49  -1.495  -3.896  10.924
  366   1HB   ASP  49          2HB       ASP  49  -3.844  -5.632  11.768
  367   2HB   ASP  49          3HB       ASP  49  -2.243  -5.497  12.499
  368    H    THR  50           H        THR  50  -4.402  -5.164   9.329
  369    HA   THR  50           HA       THR  50  -3.157  -7.583   8.287
  370    HB   THR  50           HB       THR  50  -5.757  -6.181   7.518
  371    HG1  THR  50           1HG      THR  50  -5.381  -6.959   9.790
  372   1HG2  THR  50          1HG2      THR  50  -4.808  -9.059   7.150
  373   2HG2  THR  50          2HG2      THR  50  -6.422  -8.438   6.754
  374   3HG2  THR  50          3HG2      THR  50  -5.004  -7.859   5.852
  375    H    LEU  51           H        LEU  51  -4.079  -4.317   7.092
  376    HA   LEU  51           HA       LEU  51  -3.057  -4.577   4.446
  377   1HB   LEU  51          2HB       LEU  51  -2.955  -2.133   6.279
  378   2HB   LEU  51          3HB       LEU  51  -2.551  -2.176   4.576
  379    HG   LEU  51           HG       LEU  51  -5.239  -2.284   5.938
  380   1HD1  LEU  51          1HD1      LEU  51  -4.081  -1.036   3.414
  381   2HD1  LEU  51          2HD1      LEU  51  -5.701  -0.687   4.064
  382   3HD1  LEU  51          3HD1      LEU  51  -4.240  -0.216   4.964
  383   1HD2  LEU  51          1HD2      LEU  51  -6.340  -3.053   3.874
  384   2HD2  LEU  51          2HD2      LEU  51  -4.765  -3.466   3.162
  385   3HD2  LEU  51          3HD2      LEU  51  -5.380  -4.341   4.589
  386    H    LEU  52           H        LEU  52  -1.361  -3.432   7.402
  387    HA   LEU  52           HA       LEU  52   1.156  -3.022   6.411
  388   1HB   LEU  52          2HB       LEU  52   0.056  -3.777   9.011
  389   2HB   LEU  52          3HB       LEU  52   1.751  -4.209   8.756
  390    HG   LEU  52           HG       LEU  52   0.740  -1.428   8.096
  391   1HD1  LEU  52          1HD1      LEU  52   1.294  -0.717  10.352
  392   2HD1  LEU  52          2HD1      LEU  52  -0.095  -1.817  10.255
  393   3HD1  LEU  52          3HD1      LEU  52   1.481  -2.433  10.824
  394   1HD2  LEU  52          1HD2      LEU  52   3.075  -0.818   8.625
  395   2HD2  LEU  52          2HD2      LEU  52   3.415  -2.472   9.171
  396   3HD2  LEU  52          3HD2      LEU  52   3.089  -2.158   7.456
  397    H    ALA  53           H        ALA  53   0.010  -6.088   7.891
  398    HA   ALA  53           HA       ALA  53   2.253  -7.666   7.333
  399   1HB   ALA  53          1HB       ALA  53   0.726  -9.590   7.633
  400   2HB   ALA  53          2HB       ALA  53   0.400  -8.327   8.838
  401   3HB   ALA  53          3HB       ALA  53  -0.681  -8.520   7.442
  402    H    THR  54           H        THR  54  -0.600  -7.035   5.208
  403    HA   THR  54           HA       THR  54   0.234  -8.782   3.133
  404    HB   THR  54           HB       THR  54  -1.440  -6.238   2.962
  405    HG1  THR  54           1HG      THR  54  -2.325  -7.646   4.467
  406   1HG2  THR  54          1HG2      THR  54  -2.394  -7.229   1.022
  407   2HG2  THR  54          2HG2      THR  54  -0.648  -7.218   0.789
  408   3HG2  THR  54          3HG2      THR  54  -1.463  -8.732   1.243
  409    H    LEU  55           H        LEU  55   0.758  -5.268   3.695
  410    HA   LEU  55           HA       LEU  55   1.803  -4.835   1.049
  411   1HB   LEU  55          2HB       LEU  55   1.028  -3.285   3.388
  412   2HB   LEU  55          3HB       LEU  55   2.548  -2.683   2.694
  413    HG   LEU  55           HG       LEU  55  -0.240  -2.691   1.569
  414   1HD1  LEU  55          1HD1      LEU  55   0.247  -0.822   2.916
  415   2HD1  LEU  55          2HD1      LEU  55   1.923  -0.677   2.346
  416   3HD1  LEU  55          3HD1      LEU  55   0.629  -0.207   1.287
  417   1HD2  LEU  55          1HD2      LEU  55   0.683  -1.614  -0.436
  418   2HD2  LEU  55          2HD2      LEU  55   2.322  -2.158   0.019
  419   3HD2  LEU  55          3HD2      LEU  55   1.029  -3.337  -0.358
  420    H    LYS  56           H        LYS  56   3.230  -5.309   4.260
  421    HA   LYS  56           HA       LYS  56   5.944  -4.847   3.855
  422   1HB   LYS  56          2HB       LYS  56   4.233  -6.567   5.570
  423   2HB   LYS  56          3HB       LYS  56   5.786  -7.274   5.250
  424   1HG   LYS  56          2HG       LYS  56   5.784  -6.065   7.280
  425   2HG   LYS  56          3HG       LYS  56   6.981  -5.395   6.180
  426   1HD   LYS  56          2HD       LYS  56   4.219  -4.147   6.619
  427   2HD   LYS  56          3HD       LYS  56   5.588  -3.848   7.693
  428   1HE   LYS  56          2HE       LYS  56   6.883  -3.159   5.516
  429   2HE   LYS  56          3HE       LYS  56   5.262  -2.975   4.809
  430   1HZ   LYS  56          1HZ       LYS  56   6.234  -1.590   7.220
  431   2HZ   LYS  56          2HZ       LYS  56   6.162  -0.941   5.725
  432   3HZ   LYS  56          3HZ       LYS  56   4.773  -1.359   6.490
  433    H    LYS  57           H        LYS  57   4.026  -7.530   2.444
  434    HA   LYS  57           HA       LYS  57   6.336  -9.129   1.921
  435   1HB   LYS  57          2HB       LYS  57   3.603  -9.209   0.620
  436   2HB   LYS  57          3HB       LYS  57   4.854 -10.462   0.499
  437   1HG   LYS  57          2HG       LYS  57   4.868 -10.652   3.009
  438   2HG   LYS  57          3HG       LYS  57   3.510  -9.529   3.082
  439   1HD   LYS  57          2HD       LYS  57   3.532 -12.292   1.799
  440   2HD   LYS  57          3HD       LYS  57   2.736 -11.787   3.303
  441   1HE   LYS  57          2HE       LYS  57   1.492 -10.037   1.780
  442   2HE   LYS  57          3HE       LYS  57   2.019 -11.045   0.432
  443   1HZ   LYS  57          1HZ       LYS  57   0.376 -11.916   2.722
  444   2HZ   LYS  57          2HZ       LYS  57  -0.164 -11.635   1.198
  445   3HZ   LYS  57          3HZ       LYS  57   0.863 -12.892   1.487
  446    H    THR  58           H        THR  58   5.126  -6.296   0.118
  447    HA   THR  58           HA       THR  58   6.490  -6.816  -2.307
  448    HB   THR  58           HB       THR  58   6.392  -4.036  -1.178
  449    HG1  THR  58           1HG      THR  58   4.451  -4.508  -0.413
  450   1HG2  THR  58          1HG2      THR  58   5.517  -3.639  -3.438
  451   2HG2  THR  58          2HG2      THR  58   6.924  -4.720  -3.581
  452   3HG2  THR  58          3HG2      THR  58   5.269  -5.385  -3.653
  453    H    GLY  59           H        GLY  59   7.653  -5.994   0.909
  454   1HA   GLY  59          2HA       GLY  59   9.749  -5.802   1.723
  455   2HA   GLY  59          3HA       GLY  59  10.255  -6.827   0.365
  456    H    LYS  60           H        LYS  60   8.923  -3.529   0.424
  457    HA   LYS  60           HA       LYS  60  11.383  -2.402  -0.850
  458   1HB   LYS  60          2HB       LYS  60   8.613  -1.159  -0.704
  459   2HB   LYS  60          3HB       LYS  60   9.962  -0.663  -1.709
  460   1HG   LYS  60          2HG       LYS  60   8.289  -3.197  -1.995
  461   2HG   LYS  60          3HG       LYS  60   8.162  -1.764  -3.001
  462   1HD   LYS  60          2HD       LYS  60  10.591  -3.611  -2.829
  463   2HD   LYS  60          3HD       LYS  60   9.324  -3.676  -4.052
  464   1HE   LYS  60          2HE       LYS  60   9.852  -1.227  -4.635
  465   2HE   LYS  60          3HE       LYS  60  11.230  -1.311  -3.529
  466   1HZ   LYS  60          1HZ       LYS  60  12.158  -3.024  -4.924
  467   2HZ   LYS  60          2HZ       LYS  60  10.862  -2.946  -5.946
  468   3HZ   LYS  60          3HZ       LYS  60  11.855  -1.653  -5.787
  469    H    THR  61           H        THR  61  11.637   0.025   0.007
  470    HA   THR  61           HA       THR  61  11.291   0.230   2.858
  471    HB   THR  61           HB       THR  61  11.734   2.749   1.618
  472    HG1  THR  61           1HG      THR  61  13.129   2.317  -0.008
  473   1HG2  THR  61          1HG2      THR  61  13.998   2.495   2.533
  474   2HG2  THR  61          2HG2      THR  61  12.775   1.972   3.707
  475   3HG2  THR  61          3HG2      THR  61  13.711   0.762   2.793
  476    H    VAL  62           H        VAL  62   9.065  -0.512   2.669
  477    HA   VAL  62           HA       VAL  62   7.054   1.572   1.984
  478    HB   VAL  62           HB       VAL  62   6.358  -0.344   1.037
  479   1HG1  VAL  62          1HG1      VAL  62   7.683  -2.109   1.830
  480   2HG1  VAL  62          2HG1      VAL  62   7.178  -1.871   3.516
  481   3HG1  VAL  62          3HG1      VAL  62   6.045  -2.533   2.316
  482   1HG2  VAL  62          1HG2      VAL  62   4.279  -0.849   2.026
  483   2HG2  VAL  62          2HG2      VAL  62   4.855  -0.517   3.667
  484   3HG2  VAL  62          3HG2      VAL  62   4.642   0.816   2.520
  485    H    SER  63           H        SER  63   7.009   3.066   3.431
  486    HA   SER  63           HA       SER  63   7.043   2.526   6.330
  487   1HB   SER  63          2HB       SER  63   8.175   4.556   5.352
  488   2HB   SER  63          3HB       SER  63   6.579   5.124   4.836
  489    HG   SER  63           HG       SER  63   7.604   4.809   7.448
  490    H    TYR  64           H        TYR  64   5.173   4.049   7.343
  491    HA   TYR  64           HA       TYR  64   2.499   3.268   6.349
  492   1HB   TYR  64          2HB       TYR  64   3.016   1.212   7.344
  493   2HB   TYR  64          3HB       TYR  64   4.012   1.946   8.595
  494    HD1  TYR  64           HD1      TYR  64   3.190   2.216  10.750
  495    HD2  TYR  64           HD2      TYR  64   0.408   1.971   7.467
  496    HE1  TYR  64           HE1      TYR  64   1.299   2.409  12.331
  497    HE2  TYR  64           HE2      TYR  64  -1.470   2.145   9.050
  498    HH   TYR  64           HH       TYR  64  -2.100   2.400  11.285
  499    H    LEU  65           H        LEU  65   1.102   4.876   6.956
  500    HA   LEU  65           HA       LEU  65   2.010   6.855   8.998
  501   1HB   LEU  65          2HB       LEU  65   0.252   7.203   6.597
  502   2HB   LEU  65          3HB       LEU  65   0.519   8.388   7.863
  503    HG   LEU  65           HG       LEU  65   3.093   7.976   7.405
  504   1HD1  LEU  65          1HD1      LEU  65   1.849   7.136   4.756
  505   2HD1  LEU  65          2HD1      LEU  65   3.521   7.677   4.971
  506   3HD1  LEU  65          3HD1      LEU  65   2.970   6.207   5.773
  507   1HD2  LEU  65          1HD2      LEU  65   3.024   9.866   5.840
  508   2HD2  LEU  65          2HD2      LEU  65   1.271   9.623   5.634
  509   3HD2  LEU  65          3HD2      LEU  65   1.937  10.060   7.230
  510    H    GLY  66           H        GLY  66  -0.092   8.033   9.890
  511   1HA   GLY  66          2HA       GLY  66  -1.480   6.154  11.505
  512   2HA   GLY  66          3HA       GLY  66  -1.845   7.880  11.345
  513    H    LEU  67           H        LEU  67  -3.862   6.093  11.744
  514    HA   LEU  67           HA       LEU  67  -5.214   5.409   9.266
  515   1HB   LEU  67          2HB       LEU  67  -5.313   4.048  11.310
  516   2HB   LEU  67          3HB       LEU  67  -6.064   5.366  12.208
  517    HG   LEU  67           HG       LEU  67  -7.388   4.386   9.684
  518   1HD1  LEU  67          1HD1      LEU  67  -8.541   2.596  10.937
  519   2HD1  LEU  67          2HD1      LEU  67  -6.796   2.308  10.920
  520   3HD1  LEU  67          3HD1      LEU  67  -7.566   2.960  12.378
  521   1HD2  LEU  67          1HD2      LEU  67  -8.496   5.271  12.398
  522   2HD2  LEU  67          2HD2      LEU  67  -8.436   6.292  10.955
  523   3HD2  LEU  67          3HD2      LEU  67  -9.459   4.858  10.968
  524    H    GLU  68           H        GLU  68  -7.042   6.517   8.443
  525    HA   GLU  68           HA       GLU  68  -8.028   8.951   9.765
  526   1HB   GLU  68          2HB       GLU  68  -7.154   8.775   6.859
  527   2HB   GLU  68          3HB       GLU  68  -8.071  10.111   7.586
  528   1HG   GLU  68          2HG       GLU  68  -6.120  10.562   9.096
  529   2HG   GLU  68          3HG       GLU  68  -5.200   9.311   8.245
  Start of MODEL   16
    1   1H    MET   1           H1       MET   1 -12.928   5.988   3.349
    2   2H    MET   1           H2       MET   1 -14.391   6.282   4.078
    3   3H    MET   1           H3       MET   1 -12.957   7.000   4.587
    4    HA   MET   1           HA       MET   1 -13.883   4.969   5.903
    5   1HB   MET   1          2HB       MET   1 -11.957   3.923   3.767
    6   2HB   MET   1          3HB       MET   1 -12.506   2.980   5.116
    7   1HG   MET   1          2HG       MET   1 -14.905   3.848   3.907
    8   2HG   MET   1          3HG       MET   1 -13.810   3.512   2.566
    9   1HE   MET   1          1HE       MET   1 -15.387   0.498   5.676
   10   2HE   MET   1          2HE       MET   1 -14.179   1.706   6.147
   11   3HE   MET   1          3HE       MET   1 -15.795   2.219   5.597
   12    HA   PRO   2           HA       PRO   2  -9.934   6.206   7.913
   13   1HB   PRO   2          2HB       PRO   2  -8.768   3.772   8.587
   14   2HB   PRO   2          3HB       PRO   2  -9.967   4.635   9.599
   15   1HG   PRO   2          2HG       PRO   2 -10.403   2.372   7.628
   16   2HG   PRO   2          3HG       PRO   2 -11.081   2.533   9.276
   17   1HD   PRO   2          2HD       PRO   2 -12.595   3.172   7.181
   18   2HD   PRO   2          3HD       PRO   2 -12.570   4.263   8.565
   19    H    LYS   3           H        LYS   3  -8.414   6.972   6.428
   20    HA   LYS   3           HA       LYS   3  -7.794   5.284   4.075
   21   1HB   LYS   3          2HB       LYS   3  -8.497   7.638   3.838
   22   2HB   LYS   3          3HB       LYS   3  -7.129   8.122   4.816
   23   1HG   LYS   3          2HG       LYS   3  -5.745   6.794   2.902
   24   2HG   LYS   3          3HG       LYS   3  -7.233   7.135   2.003
   25   1HD   LYS   3          2HD       LYS   3  -6.053   9.053   1.529
   26   2HD   LYS   3          3HD       LYS   3  -6.912   9.598   2.969
   27   1HE   LYS   3          2HE       LYS   3  -4.027   8.568   2.804
   28   2HE   LYS   3          3HE       LYS   3  -4.520  10.245   3.012
   29   1HZ   LYS   3          1HZ       LYS   3  -5.401   9.627   5.195
   30   2HZ   LYS   3          2HZ       LYS   3  -4.894   8.081   5.000
   31   3HZ   LYS   3          3HZ       LYS   3  -3.769   9.311   4.973
   32    H    HIS   4           H        HIS   4  -6.570   3.691   4.965
   33    HA   HIS   4           HA       HIS   4  -4.391   4.121   6.851
   34   1HB   HIS   4          2HB       HIS   4  -5.229   1.741   5.129
   35   2HB   HIS   4          3HB       HIS   4  -3.931   1.707   6.327
   36    HD1  HIS   4           1HD      HIS   4  -6.073   3.567   8.311
   37    HD2  HIS   4           2HD      HIS   4  -6.192  -0.338   6.753
   38    HE1  HIS   4           1HE      HIS   4  -7.439   2.157   9.954
   39    H    GLU   5           H        GLU   5  -2.776   5.328   6.117
   40    HA   GLU   5           HA       GLU   5  -2.063   5.295   3.271
   41   1HB   GLU   5          2HB       GLU   5  -2.769   7.291   4.516
   42   2HB   GLU   5          3HB       GLU   5  -1.381   7.168   5.583
   43   1HG   GLU   5          2HG       GLU   5   0.123   7.600   3.662
   44   2HG   GLU   5          3HG       GLU   5  -1.268   7.605   2.563
   45    H    PHE   6           H        PHE   6   0.015   4.831   2.548
   46    HA   PHE   6           HA       PHE   6   2.094   4.156   4.548
   47   1HB   PHE   6          2HB       PHE   6   1.395   2.419   2.141
   48   2HB   PHE   6          3HB       PHE   6   2.760   2.161   3.223
   49    HD1  PHE   6           1HD      PHE   6   2.479   0.607   5.035
   50    HD2  PHE   6           2HD      PHE   6  -0.988   2.408   3.204
   51    HE1  PHE   6           1HE      PHE   6   0.999  -0.807   6.399
   52    HE2  PHE   6           2HE      PHE   6  -2.449   1.084   4.670
   53    HZ   PHE   6           HZ       PHE   6  -1.472  -0.514   6.296
   54    H    SER   7           H        SER   7   4.101   4.719   3.861
   55    HA   SER   7           HA       SER   7   4.357   5.976   1.161
   56   1HB   SER   7          2HB       SER   7   5.036   7.474   2.959
   57   2HB   SER   7          3HB       SER   7   6.187   6.270   3.562
   58    HG   SER   7           HG       SER   7   6.223   7.229   0.865
   59    H    VAL   8           H        VAL   8   6.017   5.214  -0.132
   60    HA   VAL   8           HA       VAL   8   7.186   2.572   0.428
   61    HB   VAL   8           HB       VAL   8   6.012   3.113  -2.280
   62   1HG1  VAL   8          1HG1      VAL   8   5.831   0.730  -2.428
   63   2HG1  VAL   8          2HG1      VAL   8   7.404   0.985  -1.681
   64   3HG1  VAL   8          3HG1      VAL   8   6.022   0.527  -0.684
   65   1HG2  VAL   8          1HG2      VAL   8   3.919   1.925  -1.657
   66   2HG2  VAL   8          2HG2      VAL   8   4.317   2.149   0.055
   67   3HG2  VAL   8          3HG2      VAL   8   4.025   3.560  -0.989
   68    H    ASP   9           H        ASP   9   8.715   2.270  -1.598
   69    HA   ASP   9           HA       ASP   9   9.627   4.855  -2.717
   70   1HB   ASP   9          2HB       ASP   9  11.637   3.564  -2.250
   71   2HB   ASP   9          3HB       ASP   9  10.923   2.111  -3.000
   72    H    MET  10           H        MET  10   9.402   4.910  -4.943
   73    HA   MET  10           HA       MET  10   8.359   2.732  -6.383
   74   1HB   MET  10          2HB       MET  10   6.589   5.206  -6.591
   75   2HB   MET  10          3HB       MET  10   6.466   3.687  -7.499
   76   1HG   MET  10          2HG       MET  10   5.891   2.477  -5.448
   77   2HG   MET  10          3HG       MET  10   6.009   3.988  -4.520
   78   1HE   MET  10          1HE       MET  10   2.182   3.241  -4.492
   79   2HE   MET  10          2HE       MET  10   3.514   2.066  -4.403
   80   3HE   MET  10          3HE       MET  10   3.610   3.600  -3.496
   81    H    THR  11           H        THR  11  10.669   3.189  -6.870
   82    HA   THR  11           HA       THR  11  11.355   5.500  -8.345
   83    HB   THR  11           HB       THR  11  12.603   2.718  -8.364
   84    HG1  THR  11           1HG      THR  11  12.557   3.751  -6.338
   85   1HG2  THR  11          1HG2      THR  11  14.705   3.953  -8.969
   86   2HG2  THR  11          2HG2      THR  11  13.521   3.941 -10.282
   87   3HG2  THR  11          3HG2      THR  11  13.728   5.401  -9.281
   88    H    CYS  12           HN       CYS  12   9.484   2.716  -9.447
   89    HA   CYS  12           HA       CYS  12   9.351   3.966 -12.098
   90   1HB   CYS  12          2HB       CYS  12   9.749   1.931 -13.298
   91   2HB   CYS  12          3HB       CYS  12  11.135   2.219 -12.253
   92    H    GLY  13           H        GLY  13   7.452   3.257 -13.258
   93   1HA   GLY  13          2HA       GLY  13   4.992   3.029 -11.973
   94   2HA   GLY  13          3HA       GLY  13   5.366   2.369 -13.565
   95    H    GLY  14           H        GLY  14   7.308   0.469 -12.880
   96   1HA   GLY  14          2HA       GLY  14   5.684  -1.740 -12.338
   97   2HA   GLY  14          3HA       GLY  14   7.468  -1.724 -12.357
   98    H    CYS  15           HN       CYS  15   7.562   0.310 -10.089
   99    HA   CYS  15           HA       CYS  15   7.508  -1.610  -7.951
  100   1HB   CYS  15          2HB       CYS  15   7.965   1.361  -8.139
  101   2HB   CYS  15          3HB       CYS  15   7.578   0.700  -6.572
  102    H    ALA  16           H        ALA  16   5.268   0.828  -9.151
  103    HA   ALA  16           HA       ALA  16   3.400   0.629  -6.942
  104   1HB   ALA  16          1HB       ALA  16   2.943   1.675  -9.764
  105   2HB   ALA  16          2HB       ALA  16   1.979   1.988  -8.315
  106   3HB   ALA  16          3HB       ALA  16   3.637   2.613  -8.422
  107    H    GLU  17           H        GLU  17   3.673  -0.714 -10.280
  108    HA   GLU  17           HA       GLU  17   1.398  -2.299 -10.333
  109   1HB   GLU  17          2HB       GLU  17   3.239  -1.979 -12.140
  110   2HB   GLU  17          3HB       GLU  17   4.098  -3.290 -11.317
  111   1HG   GLU  17          2HG       GLU  17   1.673  -4.477 -11.545
  112   2HG   GLU  17          3HG       GLU  17   1.550  -3.308 -12.868
  113    H    ALA  18           H        ALA  18   4.634  -3.203  -9.031
  114    HA   ALA  18           HA       ALA  18   3.978  -5.779  -8.099
  115   1HB   ALA  18          1HB       ALA  18   5.935  -3.775  -6.896
  116   2HB   ALA  18          2HB       ALA  18   5.929  -5.525  -6.609
  117   3HB   ALA  18          3HB       ALA  18   6.292  -4.893  -8.232
  118    H    VAL  19           H        VAL  19   3.853  -2.645  -6.286
  119    HA   VAL  19           HA       VAL  19   2.881  -3.692  -3.871
  120    HB   VAL  19           HB       VAL  19   2.555  -1.022  -5.300
  121   1HG1  VAL  19          1HG1      VAL  19   0.675  -1.113  -3.876
  122   2HG1  VAL  19          2HG1      VAL  19   1.601  -2.018  -2.633
  123   3HG1  VAL  19          3HG1      VAL  19   1.941  -0.283  -2.945
  124   1HG2  VAL  19          1HG2      VAL  19   4.292  -0.243  -3.959
  125   2HG2  VAL  19          2HG2      VAL  19   4.117  -1.531  -2.761
  126   3HG2  VAL  19          3HG2      VAL  19   4.864  -1.877  -4.332
  127    H    SER  20           H        SER  20   1.132  -2.497  -6.745
  128    HA   SER  20           HA       SER  20  -1.472  -2.784  -5.769
  129   1HB   SER  20          2HB       SER  20  -0.636  -1.672  -7.941
  130   2HB   SER  20          3HB       SER  20  -0.622  -3.259  -8.684
  131    HG   SER  20           HG       SER  20  -2.970  -2.470  -7.371
  132    H    ARG  21           H        ARG  21   0.493  -5.042  -7.645
  133    HA   ARG  21           HA       ARG  21  -1.254  -7.241  -7.660
  134   1HB   ARG  21          2HB       ARG  21   0.374  -8.018  -8.873
  135   2HB   ARG  21          3HB       ARG  21   1.436  -6.712  -8.405
  136   1HG   ARG  21          2HG       ARG  21   2.422  -8.000  -6.622
  137   2HG   ARG  21          3HG       ARG  21   1.228  -9.282  -6.808
  138   1HD   ARG  21          2HD       ARG  21   3.255  -9.993  -7.870
  139   2HD   ARG  21          3HD       ARG  21   2.079  -9.719  -9.141
  140    HE   ARG  21           HE       ARG  21   4.538  -8.197  -8.500
  141   1HH1  ARG  21          2HH2      ARG  21   1.625  -8.231 -10.624
  142   2HH1  ARG  21          1HH2      ARG  21   2.421  -7.124 -11.753
  143   1HH2  ARG  21          2HH1      ARG  21   5.428  -6.761 -10.167
  144   2HH2  ARG  21          1HH1      ARG  21   4.351  -6.386 -11.513
  145    H    VAL  22           H        VAL  22   1.052  -6.272  -5.094
  146    HA   VAL  22           HA       VAL  22   0.667  -8.576  -3.443
  147    HB   VAL  22           HB       VAL  22   2.149  -6.082  -3.444
  148   1HG1  VAL  22          1HG1      VAL  22   2.270  -5.730  -0.978
  149   2HG1  VAL  22          2HG1      VAL  22   0.778  -5.177  -1.719
  150   3HG1  VAL  22          3HG1      VAL  22   0.818  -6.704  -0.784
  151   1HG2  VAL  22          1HG2      VAL  22   2.486  -8.545  -1.748
  152   2HG2  VAL  22          2HG2      VAL  22   3.144  -8.279  -3.389
  153   3HG2  VAL  22          3HG2      VAL  22   3.673  -7.251  -2.044
  154    H    LEU  23           H        LEU  23  -0.759  -5.328  -3.442
  155    HA   LEU  23           HA       LEU  23  -2.529  -5.818  -1.194
  156   1HB   LEU  23          2HB       LEU  23  -2.101  -3.664  -3.233
  157   2HB   LEU  23          3HB       LEU  23  -3.673  -3.693  -2.521
  158    HG   LEU  23           HG       LEU  23  -1.048  -3.658  -0.952
  159   1HD1  LEU  23          1HD1      LEU  23  -1.564  -1.283  -0.587
  160   2HD1  LEU  23          2HD1      LEU  23  -1.379  -1.599  -2.327
  161   3HD1  LEU  23          3HD1      LEU  23  -3.004  -1.415  -1.617
  162   1HD2  LEU  23          1HD2      LEU  23  -3.960  -3.207  -0.234
  163   2HD2  LEU  23          2HD2      LEU  23  -2.933  -4.512   0.400
  164   3HD2  LEU  23          3HD2      LEU  23  -2.620  -2.837   0.872
  165    H    ASN  24           H        ASN  24  -2.975  -6.157  -4.764
  166    HA   ASN  24           HA       ASN  24  -5.745  -6.785  -4.607
  167   1HB   ASN  24          2HB       ASN  24  -4.576  -6.415  -6.741
  168   2HB   ASN  24          3HB       ASN  24  -3.663  -7.911  -6.518
  169   1HD2  ASN  24          1HD2      ASN  24  -6.866  -8.525  -5.295
  170   2HD2  ASN  24          2HD2      ASN  24  -7.488  -9.140  -6.804
  171    H    LYS  25           H        LYS  25  -2.805  -8.859  -4.300
  172    HA   LYS  25           HA       LYS  25  -4.182 -11.250  -3.777
  173   1HB   LYS  25          2HB       LYS  25  -1.440 -10.351  -3.709
  174   2HB   LYS  25          3HB       LYS  25  -1.783 -11.195  -2.200
  175   1HG   LYS  25          2HG       LYS  25  -2.750 -13.105  -3.578
  176   2HG   LYS  25          3HG       LYS  25  -2.363 -12.184  -5.037
  177   1HD   LYS  25          2HD       LYS  25  -0.677 -13.814  -4.804
  178   2HD   LYS  25          3HD       LYS  25   0.068 -12.257  -4.399
  179   1HE   LYS  25          2HE       LYS  25  -0.081 -12.774  -1.989
  180   2HE   LYS  25          3HE       LYS  25  -1.027 -14.234  -2.325
  181   1HZ   LYS  25          1HZ       LYS  25   1.776 -13.810  -3.122
  182   2HZ   LYS  25          2HZ       LYS  25   1.251 -14.755  -1.882
  183   3HZ   LYS  25          3HZ       LYS  25   0.883 -15.160  -3.429
  184    H    LEU  26           H        LEU  26  -3.723  -8.555  -1.581
  185    HA   LEU  26           HA       LEU  26  -4.418  -9.734   0.900
  186   1HB   LEU  26          2HB       LEU  26  -3.840  -7.277   0.340
  187   2HB   LEU  26          3HB       LEU  26  -5.531  -7.131  -0.168
  188    HG   LEU  26           HG       LEU  26  -5.214  -6.109   1.887
  189   1HD1  LEU  26          1HD1      LEU  26  -6.907  -8.535   2.438
  190   2HD1  LEU  26          2HD1      LEU  26  -7.162  -6.841   2.902
  191   3HD1  LEU  26          3HD1      LEU  26  -7.336  -7.327   1.199
  192   1HD2  LEU  26          1HD2      LEU  26  -4.525  -8.799   3.103
  193   2HD2  LEU  26          2HD2      LEU  26  -3.428  -7.415   2.842
  194   3HD2  LEU  26          3HD2      LEU  26  -4.802  -7.249   3.941
  195    H    GLY  27           H        GLY  27  -6.438  -8.724  -1.884
  196   1HA   GLY  27          2HA       GLY  27  -8.100 -10.576  -2.299
  197   2HA   GLY  27          3HA       GLY  27  -8.856 -10.085  -0.774
  198    H    GLY  28           H        GLY  28  -9.907  -8.055  -0.635
  199   1HA   GLY  28          2HA       GLY  28 -10.704  -6.854  -3.278
  200   2HA   GLY  28          3HA       GLY  28 -11.814  -7.252  -1.965
  201    H    VAL  29           H        VAL  29  -8.609  -5.787  -1.686
  202    HA   VAL  29           HA       VAL  29  -9.547  -3.546  -0.118
  203    HB   VAL  29           HB       VAL  29  -7.136  -2.656  -0.742
  204   1HG1  VAL  29          1HG1      VAL  29  -6.096  -4.182   0.918
  205   2HG1  VAL  29          2HG1      VAL  29  -7.612  -3.421   1.440
  206   3HG1  VAL  29          3HG1      VAL  29  -7.603  -5.127   0.938
  207   1HG2  VAL  29          1HG2      VAL  29  -6.746  -5.594  -1.372
  208   2HG2  VAL  29          2HG2      VAL  29  -6.901  -4.367  -2.653
  209   3HG2  VAL  29          3HG2      VAL  29  -5.574  -4.279  -1.477
  210    H    LYS  30           H        LYS  30  -9.334  -1.269  -0.757
  211    HA   LYS  30           HA       LYS  30  -9.111  -0.724  -3.622
  212   1HB   LYS  30          2HB       LYS  30 -11.566  -0.756  -3.190
  213   2HB   LYS  30          3HB       LYS  30 -11.347   0.391  -1.876
  214   1HG   LYS  30          2HG       LYS  30 -12.177   1.468  -3.942
  215   2HG   LYS  30          3HG       LYS  30 -10.682   2.151  -3.348
  216   1HD   LYS  30          2HD       LYS  30 -10.793   1.945  -5.832
  217   2HD   LYS  30          3HD       LYS  30  -9.372   1.233  -5.123
  218   1HE   LYS  30          2HE       LYS  30 -10.296  -0.127  -6.952
  219   2HE   LYS  30          3HE       LYS  30 -10.212  -1.034  -5.452
  220   1HZ   LYS  30          1HZ       LYS  30 -12.655   0.213  -6.520
  221   2HZ   LYS  30          2HZ       LYS  30 -12.291  -1.394  -6.533
  222   3HZ   LYS  30          3HZ       LYS  30 -12.544  -0.625  -5.104
  223    H    TYR  31           H        TYR  31  -7.745   0.920  -3.963
  224    HA   TYR  31           HA       TYR  31  -6.938   2.622  -1.782
  225   1HB   TYR  31          2HB       TYR  31  -4.609   1.678  -1.919
  226   2HB   TYR  31          3HB       TYR  31  -5.788   0.528  -1.270
  227    HD1  TYR  31           HD1      TYR  31  -3.260   0.992  -3.768
  228    HD2  TYR  31           HD2      TYR  31  -6.713  -1.337  -2.683
  229    HE1  TYR  31           HE1      TYR  31  -2.519  -0.825  -5.266
  230    HE2  TYR  31           HE2      TYR  31  -6.115  -3.024  -4.384
  231    HH   TYR  31           HH       TYR  31  -4.439  -3.770  -5.836
  232    H    ASP  32           H        ASP  32  -5.500   4.255  -2.477
  233    HA   ASP  32           HA       ASP  32  -5.336   4.638  -5.437
  234   1HB   ASP  32          2HB       ASP  32  -6.658   6.393  -4.295
  235   2HB   ASP  32          3HB       ASP  32  -5.276   6.750  -3.244
  236    H    ILE  33           H        ILE  33  -3.309   5.703  -6.114
  237    HA   ILE  33           HA       ILE  33  -0.921   4.514  -4.754
  238    HB   ILE  33           HB       ILE  33  -2.155   4.019  -7.495
  239   1HG1  ILE  33          2HG1      ILE  33  -1.261   1.920  -5.479
  240   2HG1  ILE  33          3HG1      ILE  33  -2.891   2.616  -5.442
  241   1HG2  ILE  33          1HG2      ILE  33   0.205   4.326  -7.855
  242   2HG2  ILE  33          2HG2      ILE  33   0.602   3.226  -6.511
  243   3HG2  ILE  33          3HG2      ILE  33  -0.186   2.613  -7.992
  244   1HD1  ILE  33          1HD1      ILE  33  -3.265   0.735  -6.747
  245   2HD1  ILE  33          2HD1      ILE  33  -3.156   2.031  -7.910
  246   3HD1  ILE  33          3HD1      ILE  33  -1.766   0.943  -7.677
  247    H    ASP  34           H        ASP  34   0.479   6.276  -4.642
  248    HA   ASP  34           HA       ASP  34   0.402   8.265  -6.899
  249   1HB   ASP  34          2HB       ASP  34  -0.282   9.133  -4.686
  250   2HB   ASP  34          3HB       ASP  34   1.335   8.737  -4.069
  251    H    LEU  35           H        LEU  35   2.039   8.051  -8.241
  252    HA   LEU  35           HA       LEU  35   4.403   6.508  -7.588
  253   1HB   LEU  35          2HB       LEU  35   3.226   7.766 -10.031
  254   2HB   LEU  35          3HB       LEU  35   4.987   7.694  -9.967
  255    HG   LEU  35           HG       LEU  35   3.859   5.840 -11.190
  256   1HD1  LEU  35          1HD1      LEU  35   5.689   5.202  -8.879
  257   2HD1  LEU  35          2HD1      LEU  35   5.156   3.929  -9.987
  258   3HD1  LEU  35          3HD1      LEU  35   6.067   5.318 -10.598
  259   1HD2  LEU  35          1HD2      LEU  35   2.713   4.079 -10.068
  260   2HD2  LEU  35          2HD2      LEU  35   2.937   4.850  -8.479
  261   3HD2  LEU  35          3HD2      LEU  35   1.895   5.607  -9.703
  262    HA   PRO  36           HA       PRO  36   6.681  10.896  -8.057
  263   1HB   PRO  36          2HB       PRO  36   4.121  12.318  -7.174
  264   2HB   PRO  36          3HB       PRO  36   5.565  13.055  -7.902
  265   1HG   PRO  36          2HG       PRO  36   3.448  12.405  -9.463
  266   2HG   PRO  36          3HG       PRO  36   5.071  11.880 -10.009
  267   1HD   PRO  36          2HD       PRO  36   2.936  10.248  -8.623
  268   2HD   PRO  36          3HD       PRO  36   4.013   9.824  -9.985
  269    H    ASN  37           H        ASN  37   3.964  10.517  -5.770
  270    HA   ASN  37           HA       ASN  37   5.577  11.589  -3.590
  271   1HB   ASN  37          2HB       ASN  37   2.899  11.611  -4.009
  272   2HB   ASN  37          3HB       ASN  37   3.000  10.246  -2.887
  273   1HD2  ASN  37          1HD2      ASN  37   4.066  13.583  -3.541
  274   2HD2  ASN  37          2HD2      ASN  37   4.109  14.138  -1.885
  275    H    LYS  38           H        LYS  38   4.648   8.395  -4.765
  276    HA   LYS  38           HA       LYS  38   5.395   6.375  -4.403
  277   1HB   LYS  38          2HB       LYS  38   7.452   7.572  -2.547
  278   2HB   LYS  38          3HB       LYS  38   7.447   5.953  -3.242
  279   1HG   LYS  38          2HG       LYS  38   7.832   6.734  -5.447
  280   2HG   LYS  38          3HG       LYS  38   7.435   8.381  -5.064
  281   1HD   LYS  38          2HD       LYS  38   9.922   6.929  -4.101
  282   2HD   LYS  38          3HD       LYS  38   9.813   8.090  -5.416
  283   1HE   LYS  38          2HE       LYS  38   9.700   8.551  -2.443
  284   2HE   LYS  38          3HE       LYS  38  10.619   9.403  -3.688
  285   1HZ   LYS  38          1HZ       LYS  38   8.921  10.840  -2.993
  286   2HZ   LYS  38          2HZ       LYS  38   8.309  10.273  -4.415
  287   3HZ   LYS  38          3HZ       LYS  38   7.782   9.673  -2.980
  288    H    LYS  39           H        LYS  39   3.169   6.469  -3.522
  289    HA   LYS  39           HA       LYS  39   3.102   5.712  -0.691
  290   1HB   LYS  39          2HB       LYS  39   1.881   8.231  -1.916
  291   2HB   LYS  39          3HB       LYS  39   0.986   7.387  -0.669
  292   1HG   LYS  39          2HG       LYS  39   2.927   7.608   0.876
  293   2HG   LYS  39          3HG       LYS  39   3.725   8.644  -0.340
  294   1HD   LYS  39          2HD       LYS  39   1.706  10.138  -0.284
  295   2HD   LYS  39          3HD       LYS  39   0.960   9.070   0.921
  296   1HE   LYS  39          2HE       LYS  39   2.824   9.523   2.499
  297   2HE   LYS  39          3HE       LYS  39   3.545  10.643   1.322
  298   1HZ   LYS  39          1HZ       LYS  39   2.202  11.785   2.964
  299   2HZ   LYS  39          2HZ       LYS  39   1.499  11.943   1.478
  300   3HZ   LYS  39          3HZ       LYS  39   0.892  10.885   2.590
  301    H    VAL  40           H        VAL  40   1.087   4.788  -0.059
  302    HA   VAL  40           HA       VAL  40  -0.858   4.263  -2.193
  303    HB   VAL  40           HB       VAL  40  -0.259   2.299   0.058
  304   1HG1  VAL  40          1HG1      VAL  40  -1.479   0.789  -1.525
  305   2HG1  VAL  40          2HG1      VAL  40  -2.455   2.192  -1.041
  306   3HG1  VAL  40          3HG1      VAL  40  -1.666   2.156  -2.635
  307   1HG2  VAL  40          1HG2      VAL  40   1.785   2.394  -1.320
  308   2HG2  VAL  40          2HG2      VAL  40   0.900   0.880  -1.485
  309   3HG2  VAL  40          3HG2      VAL  40   0.806   2.104  -2.783
  310    H    CYS  41           H        CYS  41  -2.960   4.563  -1.447
  311    HA   CYS  41           HA       CYS  41  -3.454   5.195   1.455
  312   1HB   CYS  41          2HB       CYS  41  -4.554   6.495  -1.089
  313   2HB   CYS  41          3HB       CYS  41  -5.236   6.738   0.523
  314    HG   CYS  41           HG       CYS  41  -2.142   7.313  -0.447
  315    H    ILE  42           H        ILE  42  -4.225   3.216   2.085
  316    HA   ILE  42           HA       ILE  42  -6.178   1.964   0.291
  317    HB   ILE  42           HB       ILE  42  -4.950   0.920   2.856
  318   1HG1  ILE  42          2HG1      ILE  42  -4.161  -0.762   0.700
  319   2HG1  ILE  42          3HG1      ILE  42  -4.006   0.861   0.097
  320   1HG2  ILE  42          1HG2      ILE  42  -6.784  -0.313   0.752
  321   2HG2  ILE  42          2HG2      ILE  42  -5.917  -1.275   1.949
  322   3HG2  ILE  42          3HG2      ILE  42  -7.118  -0.094   2.484
  323   1HD1  ILE  42          1HD1      ILE  42  -2.327  -0.475   2.174
  324   2HD1  ILE  42          2HD1      ILE  42  -1.928   0.625   0.878
  325   3HD1  ILE  42          3HD1      ILE  42  -2.693   1.274   2.324
  326    H    GLU  43           H        GLU  43  -8.323   2.036   0.598
  327    HA   GLU  43           HA       GLU  43  -9.427   2.882   3.254
  328   1HB   GLU  43          2HB       GLU  43 -10.030   3.889   0.454
  329   2HB   GLU  43          3HB       GLU  43 -11.344   3.722   1.605
  330   1HG   GLU  43          2HG       GLU  43  -9.947   5.096   3.270
  331   2HG   GLU  43          3HG       GLU  43  -8.837   5.409   1.921
  332    H    SER  44           H        SER  44  -9.894   0.779   3.942
  333    HA   SER  44           HA       SER  44 -12.009  -0.637   2.504
  334   1HB   SER  44          2HB       SER  44  -9.177  -1.698   2.756
  335   2HB   SER  44          3HB       SER  44 -10.570  -2.746   2.419
  336    HG   SER  44           HG       SER  44 -10.514  -0.546   0.802
  337    H    GLU  45           H        GLU  45 -13.000  -2.222   3.755
  338    HA   GLU  45           HA       GLU  45 -13.077  -1.482   6.526
  339   1HB   GLU  45          2HB       GLU  45 -15.013  -3.140   6.516
  340   2HB   GLU  45          3HB       GLU  45 -15.150  -1.709   5.507
  341   1HG   GLU  45          2HG       GLU  45 -14.705  -2.962   3.478
  342   2HG   GLU  45          3HG       GLU  45 -14.311  -4.413   4.430
  343    H    HIS  46           H        HIS  46 -10.740  -2.294   6.807
  344    HA   HIS  46           HA       HIS  46 -11.022  -4.601   8.559
  345   1HB   HIS  46          2HB       HIS  46  -8.987  -5.779   7.628
  346   2HB   HIS  46          3HB       HIS  46 -10.401  -5.852   6.577
  347    HD1  HIS  46           1HD      HIS  46  -7.702  -3.046   6.842
  348    HD2  HIS  46           2HD      HIS  46  -9.677  -5.572   4.084
  349    HE1  HIS  46           1HE      HIS  46  -7.275  -2.120   4.521
  350    H    SER  47           H        SER  47  -8.633  -4.842   9.641
  351    HA   SER  47           HA       SER  47  -7.971  -2.139  10.549
  352   1HB   SER  47          2HB       SER  47  -7.923  -4.258  12.015
  353   2HB   SER  47          3HB       SER  47  -6.376  -4.619  11.208
  354    HG   SER  47           HG       SER  47  -5.665  -3.279  12.738
  355    H    MET  48           H        MET  48  -5.664  -1.689  10.847
  356    HA   MET  48           HA       MET  48  -4.392  -1.373   8.212
  357   1HB   MET  48          2HB       MET  48  -2.598  -0.232   9.383
  358   2HB   MET  48          3HB       MET  48  -4.177   0.520   9.616
  359   1HG   MET  48          2HG       MET  48  -3.144  -1.440  11.643
  360   2HG   MET  48          3HG       MET  48  -2.517   0.208  11.643
  361   1HE   MET  48          1HE       MET  48  -4.940  -0.015  14.748
  362   2HE   MET  48          2HE       MET  48  -4.024  -1.375  14.060
  363   3HE   MET  48          3HE       MET  48  -3.255   0.225  14.225
  364    H    ASP  49           H        ASP  49  -4.054  -3.402  11.129
  365    HA   ASP  49           HA       ASP  49  -1.514  -4.405  10.752
  366   1HB   ASP  49          2HB       ASP  49  -3.920  -6.037  11.690
  367   2HB   ASP  49          3HB       ASP  49  -2.219  -6.290  12.105
  368    H    THR  50           H        THR  50  -4.551  -5.725   9.504
  369    HA   THR  50           HA       THR  50  -3.804  -7.875   7.988
  370    HB   THR  50           HB       THR  50  -5.886  -5.845   7.090
  371    HG1  THR  50           1HG      THR  50  -6.080  -7.499   9.385
  372   1HG2  THR  50          1HG2      THR  50  -7.268  -7.852   6.773
  373   2HG2  THR  50          2HG2      THR  50  -5.734  -8.045   5.907
  374   3HG2  THR  50          3HG2      THR  50  -5.989  -8.882   7.450
  375    H    LEU  51           H        LEU  51  -3.600  -4.402   7.174
  376    HA   LEU  51           HA       LEU  51  -2.819  -4.859   4.385
  377   1HB   LEU  51          2HB       LEU  51  -2.778  -2.339   6.077
  378   2HB   LEU  51          3HB       LEU  51  -2.310  -2.484   4.387
  379    HG   LEU  51           HG       LEU  51  -5.072  -2.786   5.637
  380   1HD1  LEU  51          1HD1      LEU  51  -3.954  -0.580   4.965
  381   2HD1  LEU  51          2HD1      LEU  51  -3.990  -1.180   3.289
  382   3HD1  LEU  51          3HD1      LEU  51  -5.502  -0.890   4.185
  383   1HD2  LEU  51          1HD2      LEU  51  -4.078  -3.654   2.860
  384   2HD2  LEU  51          2HD2      LEU  51  -5.055  -4.603   4.012
  385   3HD2  LEU  51          3HD2      LEU  51  -5.759  -3.235   3.148
  386    H    LEU  52           H        LEU  52  -1.227  -3.528   7.345
  387    HA   LEU  52           HA       LEU  52   1.307  -3.111   6.460
  388   1HB   LEU  52          2HB       LEU  52   0.223  -4.092   9.089
  389   2HB   LEU  52          3HB       LEU  52   1.939  -4.233   8.738
  390    HG   LEU  52           HG       LEU  52   1.928  -1.733   8.162
  391   1HD1  LEU  52          1HD1      LEU  52   0.165  -0.412   9.279
  392   2HD1  LEU  52          2HD1      LEU  52  -0.584  -1.512   8.109
  393   3HD1  LEU  52          3HD1      LEU  52  -0.627  -1.895   9.841
  394   1HD2  LEU  52          1HD2      LEU  52   1.468  -2.694  10.993
  395   2HD2  LEU  52          2HD2      LEU  52   3.005  -2.668  10.095
  396   3HD2  LEU  52          3HD2      LEU  52   2.205  -1.142  10.523
  397    H    ALA  53           H        ALA  53   0.201  -6.237   7.870
  398    HA   ALA  53           HA       ALA  53   2.657  -7.566   7.389
  399   1HB   ALA  53          1HB       ALA  53   0.928  -8.312   9.010
  400   2HB   ALA  53          2HB       ALA  53  -0.153  -8.739   7.665
  401   3HB   ALA  53          3HB       ALA  53   1.372  -9.623   7.899
  402    H    THR  54           H        THR  54   0.175  -6.793   5.062
  403    HA   THR  54           HA       THR  54   1.345  -8.702   3.102
  404    HB   THR  54           HB       THR  54  -1.290  -7.322   3.358
  405    HG1  THR  54           1HG      THR  54  -1.921  -9.391   3.517
  406   1HG2  THR  54          1HG2      THR  54  -0.110  -8.644   0.874
  407   2HG2  THR  54          2HG2      THR  54  -1.847  -8.399   1.135
  408   3HG2  THR  54          3HG2      THR  54  -0.775  -6.997   1.035
  409    H    LEU  55           H        LEU  55   0.937  -5.187   3.664
  410    HA   LEU  55           HA       LEU  55   1.962  -4.590   1.045
  411   1HB   LEU  55          2HB       LEU  55   0.881  -3.173   3.345
  412   2HB   LEU  55          3HB       LEU  55   2.325  -2.333   2.764
  413    HG   LEU  55           HG       LEU  55  -0.248  -2.844   1.316
  414   1HD1  LEU  55          1HD1      LEU  55   1.422  -0.402   2.118
  415   2HD1  LEU  55          2HD1      LEU  55  -0.062  -0.335   1.185
  416   3HD1  LEU  55          3HD1      LEU  55  -0.106  -0.936   2.859
  417   1HD2  LEU  55          1HD2      LEU  55   2.422  -1.882   0.209
  418   2HD2  LEU  55          2HD2      LEU  55   1.385  -3.191  -0.423
  419   3HD2  LEU  55          3HD2      LEU  55   0.844  -1.517  -0.532
  420    H    LYS  56           H        LYS  56   3.327  -5.030   4.284
  421    HA   LYS  56           HA       LYS  56   6.064  -4.525   3.725
  422   1HB   LYS  56          2HB       LYS  56   4.538  -6.142   5.747
  423   2HB   LYS  56          3HB       LYS  56   6.196  -6.564   5.507
  424   1HG   LYS  56          2HG       LYS  56   5.977  -5.010   7.286
  425   2HG   LYS  56          3HG       LYS  56   6.998  -4.356   5.991
  426   1HD   LYS  56          2HD       LYS  56   5.045  -2.934   5.239
  427   2HD   LYS  56          3HD       LYS  56   4.077  -3.638   6.526
  428   1HE   LYS  56          2HE       LYS  56   4.806  -1.433   7.179
  429   2HE   LYS  56          3HE       LYS  56   5.514  -2.639   8.254
  430   1HZ   LYS  56          1HZ       LYS  56   7.038  -0.827   7.473
  431   2HZ   LYS  56          2HZ       LYS  56   7.610  -2.347   7.170
  432   3HZ   LYS  56          3HZ       LYS  56   6.980  -1.399   5.984
  433    H    LYS  57           H        LYS  57   4.048  -7.189   2.562
  434    HA   LYS  57           HA       LYS  57   6.229  -9.008   2.096
  435   1HB   LYS  57          2HB       LYS  57   3.610  -8.824   0.576
  436   2HB   LYS  57          3HB       LYS  57   4.782 -10.125   0.473
  437   1HG   LYS  57          2HG       LYS  57   4.474 -10.769   2.769
  438   2HG   LYS  57          3HG       LYS  57   3.441  -9.374   3.086
  439   1HD   LYS  57          2HD       LYS  57   1.770 -10.257   1.405
  440   2HD   LYS  57          3HD       LYS  57   2.866 -11.589   1.066
  441   1HE   LYS  57          2HE       LYS  57   1.150 -12.477   2.449
  442   2HE   LYS  57          3HE       LYS  57   2.625 -12.406   3.419
  443   1HZ   LYS  57          1HZ       LYS  57   0.351 -10.486   3.576
  444   2HZ   LYS  57          2HZ       LYS  57   0.720 -11.667   4.652
  445   3HZ   LYS  57          3HZ       LYS  57   1.741 -10.402   4.452
  446    H    THR  58           H        THR  58   5.355  -6.022   0.446
  447    HA   THR  58           HA       THR  58   6.849  -6.542  -2.019
  448    HB   THR  58           HB       THR  58   6.932  -4.177  -2.265
  449    HG1  THR  58           1HG      THR  58   5.737  -3.872   0.284
  450   1HG2  THR  58          1HG2      THR  58   4.277  -4.973  -1.069
  451   2HG2  THR  58          2HG2      THR  58   4.567  -3.598  -2.134
  452   3HG2  THR  58          3HG2      THR  58   4.786  -5.252  -2.754
  453    H    GLY  59           H        GLY  59   7.609  -5.534   1.274
  454   1HA   GLY  59          2HA       GLY  59   9.472  -5.275   2.413
  455   2HA   GLY  59          3HA       GLY  59  10.181  -6.556   1.399
  456    H    LYS  60           H        LYS  60   9.097  -3.346   0.358
  457    HA   LYS  60           HA       LYS  60  11.884  -2.563  -0.398
  458   1HB   LYS  60          2HB       LYS  60   9.310  -1.216  -1.248
  459   2HB   LYS  60          3HB       LYS  60  10.913  -1.137  -2.010
  460   1HG   LYS  60          2HG       LYS  60  10.721  -3.673  -2.391
  461   2HG   LYS  60          3HG       LYS  60   9.026  -3.520  -1.949
  462   1HD   LYS  60          2HD       LYS  60  10.395  -2.273  -4.344
  463   2HD   LYS  60          3HD       LYS  60   9.257  -3.647  -4.290
  464   1HE   LYS  60          2HE       LYS  60   7.477  -2.099  -3.430
  465   2HE   LYS  60          3HE       LYS  60   8.588  -0.730  -3.621
  466   1HZ   LYS  60          1HZ       LYS  60   8.627  -1.066  -5.948
  467   2HZ   LYS  60          2HZ       LYS  60   7.854  -2.510  -5.846
  468   3HZ   LYS  60          3HZ       LYS  60   7.028  -1.146  -5.526
  469    H    THR  61           H        THR  61  11.251   0.294  -0.367
  470    HA   THR  61           HA       THR  61  11.526   0.843   2.399
  471    HB   THR  61           HB       THR  61  10.913   2.845   0.295
  472    HG1  THR  61           1HG      THR  61  13.372   1.474   0.611
  473   1HG2  THR  61          1HG2      THR  61  12.674   4.156   1.439
  474   2HG2  THR  61          2HG2      THR  61  11.401   3.693   2.580
  475   3HG2  THR  61          3HG2      THR  61  12.949   2.819   2.575
  476    H    VAL  62           H        VAL  62   9.183  -0.495   2.418
  477    HA   VAL  62           HA       VAL  62   6.936   1.397   2.180
  478    HB   VAL  62           HB       VAL  62   6.803  -0.691   0.981
  479   1HG1  VAL  62          1HG1      VAL  62   7.955  -2.205   2.624
  480   2HG1  VAL  62          2HG1      VAL  62   6.514  -2.079   3.664
  481   3HG1  VAL  62          3HG1      VAL  62   6.386  -2.802   2.066
  482   1HG2  VAL  62          1HG2      VAL  62   4.759   0.522   1.706
  483   2HG2  VAL  62          2HG2      VAL  62   4.505  -1.227   1.587
  484   3HG2  VAL  62          3HG2      VAL  62   4.701  -0.468   3.177
  485    H    SER  63           H        SER  63   5.941   2.258   3.901
  486    HA   SER  63           HA       SER  63   5.456   0.695   6.219
  487   1HB   SER  63          2HB       SER  63   7.789   2.518   6.415
  488   2HB   SER  63          3HB       SER  63   6.602   2.734   7.702
  489    HG   SER  63           HG       SER  63   8.161   1.124   8.183
  490    H    TYR  64           H        TYR  64   4.310   1.801   7.897
  491    HA   TYR  64           HA       TYR  64   2.003   2.959   6.607
  492   1HB   TYR  64          2HB       TYR  64   1.879   1.018   8.056
  493   2HB   TYR  64          3HB       TYR  64   2.680   1.880   9.361
  494    HD1  TYR  64           HD1      TYR  64   1.361   2.616  11.119
  495    HD2  TYR  64           HD2      TYR  64  -0.406   2.248   7.201
  496    HE1  TYR  64           HE1      TYR  64  -0.887   2.959  12.096
  497    HE2  TYR  64           HE2      TYR  64  -2.655   2.530   8.196
  498    HH   TYR  64           HH       TYR  64  -3.853   2.618  10.183
  499    H    LEU  65           H        LEU  65   0.946   4.819   7.177
  500    HA   LEU  65           HA       LEU  65   2.219   6.831   8.967
  501   1HB   LEU  65          2HB       LEU  65   0.633   7.211   6.432
  502   2HB   LEU  65          3HB       LEU  65   0.911   8.465   7.641
  503    HG   LEU  65           HG       LEU  65   3.474   7.729   7.366
  504   1HD1  LEU  65          1HD1      LEU  65   3.098   5.904   5.797
  505   2HD1  LEU  65          2HD1      LEU  65   2.193   6.976   4.702
  506   3HD1  LEU  65          3HD1      LEU  65   3.937   7.222   4.981
  507   1HD2  LEU  65          1HD2      LEU  65   2.582   9.924   7.036
  508   2HD2  LEU  65          2HD2      LEU  65   3.682   9.521   5.696
  509   3HD2  LEU  65          3HD2      LEU  65   1.913   9.471   5.443
  510    H    GLY  66           H        GLY  66   0.172   8.341   9.671
  511   1HA   GLY  66          2HA       GLY  66  -1.369   6.804  11.449
  512   2HA   GLY  66          3HA       GLY  66  -1.695   8.476  10.970
  513    H    LEU  67           H        LEU  67  -3.723   6.464  11.531
  514    HA   LEU  67           HA       LEU  67  -4.901   5.706   8.956
  515   1HB   LEU  67          2HB       LEU  67  -6.778   5.101  10.601
  516   2HB   LEU  67          3HB       LEU  67  -5.395   4.058  10.311
  517    HG   LEU  67           HG       LEU  67  -4.353   4.763  12.416
  518   1HD1  LEU  67          1HD1      LEU  67  -6.910   6.381  12.805
  519   2HD1  LEU  67          2HD1      LEU  67  -5.605   6.182  14.002
  520   3HD1  LEU  67          3HD1      LEU  67  -5.312   7.074  12.494
  521   1HD2  LEU  67          1HD2      LEU  67  -7.259   3.915  12.677
  522   2HD2  LEU  67          2HD2      LEU  67  -5.889   2.857  12.287
  523   3HD2  LEU  67          3HD2      LEU  67  -5.968   3.649  13.878
  524    H    GLU  68           H        GLU  68  -4.717   7.941   8.248
  525    HA   GLU  68           HA       GLU  68  -6.884   9.713   9.301
  526   1HB   GLU  68          2HB       GLU  68  -4.645  10.584   7.461
  527   2HB   GLU  68          3HB       GLU  68  -5.644  11.528   8.570
  528   1HG   GLU  68          2HG       GLU  68  -3.332   9.656   9.212
  529   2HG   GLU  68          3HG       GLU  68  -3.416  11.395   9.451
  Start of MODEL   17
    1   1H    MET   1           H1       MET   1 -15.462   2.656   7.651
    2   2H    MET   1           H2       MET   1 -15.684   1.581   6.391
    3   3H    MET   1           H3       MET   1 -14.498   1.319   7.360
    4    HA   MET   1           HA       MET   1 -13.651   2.230   5.352
    5   1HB   MET   1          2HB       MET   1 -15.648   4.459   5.910
    6   2HB   MET   1          3HB       MET   1 -14.395   4.552   4.667
    7   1HG   MET   1          2HG       MET   1 -15.311   2.719   3.439
    8   2HG   MET   1          3HG       MET   1 -16.513   2.377   4.695
    9   1HE   MET   1          1HE       MET   1 -18.710   3.610   1.740
   10   2HE   MET   1          2HE       MET   1 -17.201   2.674   1.624
   11   3HE   MET   1          3HE       MET   1 -18.393   2.291   2.894
   12    HA   PRO   2           HA       PRO   2 -11.177   4.632   8.491
   13   1HB   PRO   2          2HB       PRO   2  -9.322   2.860   9.186
   14   2HB   PRO   2          3HB       PRO   2 -10.886   2.890  10.058
   15   1HG   PRO   2          2HG       PRO   2 -10.044   1.046   7.795
   16   2HG   PRO   2          3HG       PRO   2 -10.798   0.585   9.345
   17   1HD   PRO   2          2HD       PRO   2 -12.261   0.952   7.032
   18   2HD   PRO   2          3HD       PRO   2 -12.907   1.355   8.654
   19    H    LYS   3           H        LYS   3  -9.021   5.293   7.812
   20    HA   LYS   3           HA       LYS   3  -8.241   4.349   5.079
   21   1HB   LYS   3          2HB       LYS   3  -9.289   6.367   4.712
   22   2HB   LYS   3          3HB       LYS   3  -8.659   7.122   6.164
   23   1HG   LYS   3          2HG       LYS   3  -6.410   7.242   5.188
   24   2HG   LYS   3          3HG       LYS   3  -6.959   6.329   3.758
   25   1HD   LYS   3          2HD       LYS   3  -8.570   8.104   3.206
   26   2HD   LYS   3          3HD       LYS   3  -8.107   9.033   4.640
   27   1HE   LYS   3          2HE       LYS   3  -6.140   8.283   2.423
   28   2HE   LYS   3          3HE       LYS   3  -7.086   9.779   2.405
   29   1HZ   LYS   3          1HZ       LYS   3  -4.834  10.015   3.357
   30   2HZ   LYS   3          2HZ       LYS   3  -6.030  10.452   4.457
   31   3HZ   LYS   3          3HZ       LYS   3  -5.270   9.088   4.640
   32    H    HIS   4           H        HIS   4  -6.163   3.885   4.802
   33    HA   HIS   4           HA       HIS   4  -4.244   4.268   7.048
   34   1HB   HIS   4          2HB       HIS   4  -4.703   1.664   5.529
   35   2HB   HIS   4          3HB       HIS   4  -3.569   1.963   6.831
   36    HD1  HIS   4           1HD      HIS   4  -5.926   3.584   8.600
   37    HD2  HIS   4           2HD      HIS   4  -5.871  -0.302   6.989
   38    HE1  HIS   4           1HE      HIS   4  -7.358   2.119  10.144
   39    H    GLU   5           H        GLU   5  -2.820   5.684   6.072
   40    HA   GLU   5           HA       GLU   5  -2.116   5.225   3.249
   41   1HB   GLU   5          2HB       GLU   5  -1.156   7.418   5.074
   42   2HB   GLU   5          3HB       GLU   5  -0.849   7.253   3.352
   43   1HG   GLU   5          2HG       GLU   5  -3.454   7.337   3.157
   44   2HG   GLU   5          3HG       GLU   5  -3.403   7.924   4.829
   45    H    PHE   6           H        PHE   6  -0.097   4.912   2.445
   46    HA   PHE   6           HA       PHE   6   2.102   4.282   4.320
   47   1HB   PHE   6          2HB       PHE   6   1.286   2.659   1.884
   48   2HB   PHE   6          3HB       PHE   6   2.703   2.376   2.885
   49    HD1  PHE   6           1HD      PHE   6  -1.084   2.480   3.031
   50    HD2  PHE   6           2HD      PHE   6   2.542   0.736   4.612
   51    HE1  PHE   6           1HE      PHE   6  -2.414   1.064   4.537
   52    HE2  PHE   6           2HE      PHE   6   1.181  -0.988   5.678
   53    HZ   PHE   6           HZ       PHE   6  -1.291  -0.706   5.890
   54    H    SER   7           H        SER   7   4.024   5.074   3.627
   55    HA   SER   7           HA       SER   7   4.072   6.407   0.955
   56   1HB   SER   7          2HB       SER   7   4.734   7.896   2.772
   57   2HB   SER   7          3HB       SER   7   6.057   6.785   3.186
   58    HG   SER   7           HG       SER   7   5.756   7.705   0.509
   59    H    VAL   8           H        VAL   8   5.322   5.415  -0.563
   60    HA   VAL   8           HA       VAL   8   6.714   2.892   0.223
   61    HB   VAL   8           HB       VAL   8   4.563   3.217  -1.905
   62   1HG1  VAL   8          1HG1      VAL   8   4.909   0.651  -2.013
   63   2HG1  VAL   8          2HG1      VAL   8   6.132   1.673  -2.769
   64   3HG1  VAL   8          3HG1      VAL   8   6.451   0.948  -1.188
   65   1HG2  VAL   8          1HG2      VAL   8   3.428   3.095   0.184
   66   2HG2  VAL   8          2HG2      VAL   8   3.392   1.443  -0.447
   67   3HG2  VAL   8          3HG2      VAL   8   4.537   1.877   0.825
   68    H    ASP   9           H        ASP   9   8.655   3.039  -0.579
   69    HA   ASP   9           HA       ASP   9   9.772   4.638  -2.577
   70   1HB   ASP   9          2HB       ASP   9  11.322   3.333  -1.428
   71   2HB   ASP   9          3HB       ASP   9  10.326   1.866  -1.560
   72    H    MET  10           H        MET  10   8.899   4.996  -4.427
   73    HA   MET  10           HA       MET  10   8.390   2.740  -6.295
   74   1HB   MET  10          2HB       MET  10   6.897   5.390  -6.101
   75   2HB   MET  10          3HB       MET  10   6.787   4.283  -7.480
   76   1HG   MET  10          2HG       MET  10   5.742   2.589  -6.223
   77   2HG   MET  10          3HG       MET  10   6.143   3.337  -4.675
   78   1HE   MET  10          1HE       MET  10   3.221   2.212  -5.602
   79   2HE   MET  10          2HE       MET  10   3.653   2.773  -3.972
   80   3HE   MET  10          3HE       MET  10   2.235   3.462  -4.806
   81    H    THR  11           H        THR  11  10.902   3.393  -5.911
   82    HA   THR  11           HA       THR  11  11.786   5.596  -7.467
   83    HB   THR  11           HB       THR  11  13.098   4.424  -5.721
   84    HG1  THR  11           1HG      THR  11  14.057   5.708  -7.440
   85   1HG2  THR  11          1HG2      THR  11  14.317   2.386  -6.202
   86   2HG2  THR  11          2HG2      THR  11  12.592   2.043  -6.400
   87   3HG2  THR  11          3HG2      THR  11  13.623   2.273  -7.828
   88    H    CYS  12           HN       CYS  12  10.703   2.379  -8.448
   89    HA   CYS  12           HA       CYS  12  10.942   3.264 -11.237
   90   1HB   CYS  12          2HB       CYS  12  11.351   0.880 -11.902
   91   2HB   CYS  12          3HB       CYS  12  12.729   1.725 -11.199
   92    H    GLY  13           H        GLY  13   9.153   2.802 -12.398
   93   1HA   GLY  13          2HA       GLY  13   6.748   2.972 -11.132
   94   2HA   GLY  13          3HA       GLY  13   6.925   2.395 -12.799
   95    H    GLY  14           H        GLY  14   8.442   0.013 -12.009
   96   1HA   GLY  14          2HA       GLY  14   6.400  -1.829 -11.920
   97   2HA   GLY  14          3HA       GLY  14   8.092  -2.183 -11.508
   98    H    CYS  15           HN       CYS  15   7.921  -0.167  -9.156
   99    HA   CYS  15           HA       CYS  15   7.095  -1.953  -7.086
  100   1HB   CYS  15          2HB       CYS  15   7.423   1.045  -7.207
  101   2HB   CYS  15          3HB       CYS  15   7.149   0.156  -5.703
  102    H    ALA  16           H        ALA  16   5.297   0.587  -8.894
  103    HA   ALA  16           HA       ALA  16   2.981   0.549  -7.163
  104   1HB   ALA  16          1HB       ALA  16   3.439   2.409  -8.715
  105   2HB   ALA  16          2HB       ALA  16   3.221   1.318 -10.105
  106   3HB   ALA  16          3HB       ALA  16   1.856   1.667  -9.031
  107    H    GLU  17           H        GLU  17   3.860  -1.093 -10.196
  108    HA   GLU  17           HA       GLU  17   1.637  -2.775 -10.553
  109   1HB   GLU  17          2HB       GLU  17   4.396  -2.683 -11.490
  110   2HB   GLU  17          3HB       GLU  17   4.050  -4.305 -10.967
  111   1HG   GLU  17          2HG       GLU  17   1.833  -3.967 -12.471
  112   2HG   GLU  17          3HG       GLU  17   2.848  -2.739 -13.238
  113    H    ALA  18           H        ALA  18   4.630  -3.441  -8.703
  114    HA   ALA  18           HA       ALA  18   3.906  -5.989  -7.779
  115   1HB   ALA  18          1HB       ALA  18   5.696  -3.919  -6.423
  116   2HB   ALA  18          2HB       ALA  18   5.705  -5.665  -6.111
  117   3HB   ALA  18          3HB       ALA  18   6.218  -5.044  -7.699
  118    H    VAL  19           H        VAL  19   3.520  -2.787  -6.094
  119    HA   VAL  19           HA       VAL  19   2.334  -3.855  -3.767
  120    HB   VAL  19           HB       VAL  19   2.074  -1.171  -5.209
  121   1HG1  VAL  19          1HG1      VAL  19   1.149  -0.569  -2.838
  122   2HG1  VAL  19          2HG1      VAL  19   0.082  -1.352  -4.004
  123   3HG1  VAL  19          3HG1      VAL  19   0.865  -2.331  -2.713
  124   1HG2  VAL  19          1HG2      VAL  19   3.445  -1.800  -2.561
  125   2HG2  VAL  19          2HG2      VAL  19   4.324  -1.792  -4.107
  126   3HG2  VAL  19          3HG2      VAL  19   3.524  -0.320  -3.534
  127    H    SER  20           H        SER  20   0.890  -2.673  -6.851
  128    HA   SER  20           HA       SER  20  -1.774  -3.032  -5.978
  129   1HB   SER  20          2HB       SER  20  -0.877  -1.876  -8.125
  130   2HB   SER  20          3HB       SER  20  -0.779  -3.460  -8.867
  131    HG   SER  20           HG       SER  20  -3.194  -2.593  -7.666
  132    H    ARG  21           H        ARG  21   0.357  -5.199  -7.698
  133    HA   ARG  21           HA       ARG  21  -1.322  -7.467  -7.821
  134   1HB   ARG  21          2HB       ARG  21   0.353  -8.117  -9.038
  135   2HB   ARG  21          3HB       ARG  21   1.363  -6.811  -8.491
  136   1HG   ARG  21          2HG       ARG  21   2.370  -8.147  -6.768
  137   2HG   ARG  21          3HG       ARG  21   1.227  -9.463  -7.061
  138   1HD   ARG  21          2HD       ARG  21   3.262 -10.037  -8.179
  139   2HD   ARG  21          3HD       ARG  21   2.100  -9.660  -9.434
  140    HE   ARG  21           HE       ARG  21   4.528  -8.174  -8.616
  141   1HH1  ARG  21          2HH2      ARG  21   1.656  -7.973 -10.791
  142   2HH1  ARG  21          1HH2      ARG  21   2.574  -6.964 -11.920
  143   1HH2  ARG  21          2HH1      ARG  21   5.579  -6.880 -10.300
  144   2HH2  ARG  21          1HH1      ARG  21   4.561  -6.430 -11.672
  145    H    VAL  22           H        VAL  22   0.850  -6.455  -5.155
  146    HA   VAL  22           HA       VAL  22   0.440  -8.770  -3.546
  147    HB   VAL  22           HB       VAL  22   2.066  -6.523  -3.465
  148   1HG1  VAL  22          1HG1      VAL  22   1.869  -5.568  -1.211
  149   2HG1  VAL  22          2HG1      VAL  22   0.499  -5.089  -2.168
  150   3HG1  VAL  22          3HG1      VAL  22   0.327  -6.374  -0.952
  151   1HG2  VAL  22          1HG2      VAL  22   3.052  -7.459  -1.507
  152   2HG2  VAL  22          2HG2      VAL  22   1.625  -8.491  -1.235
  153   3HG2  VAL  22          3HG2      VAL  22   2.657  -8.737  -2.677
  154    H    LEU  23           H        LEU  23  -1.068  -5.593  -3.572
  155    HA   LEU  23           HA       LEU  23  -2.881  -6.118  -1.369
  156   1HB   LEU  23          2HB       LEU  23  -2.352  -3.917  -3.340
  157   2HB   LEU  23          3HB       LEU  23  -3.911  -3.888  -2.628
  158    HG   LEU  23           HG       LEU  23  -1.253  -4.034  -1.103
  159   1HD1  LEU  23          1HD1      LEU  23  -1.621  -1.912  -2.446
  160   2HD1  LEU  23          2HD1      LEU  23  -3.100  -1.648  -1.499
  161   3HD1  LEU  23          3HD1      LEU  23  -1.508  -1.680  -0.696
  162   1HD2  LEU  23          1HD2      LEU  23  -4.098  -3.459  -0.245
  163   2HD2  LEU  23          2HD2      LEU  23  -3.153  -4.878   0.252
  164   3HD2  LEU  23          3HD2      LEU  23  -2.675  -3.288   0.820
  165    H    ASN  24           H        ASN  24  -3.090  -6.415  -4.933
  166    HA   ASN  24           HA       ASN  24  -5.891  -6.920  -5.009
  167   1HB   ASN  24          2HB       ASN  24  -4.598  -6.471  -7.037
  168   2HB   ASN  24          3HB       ASN  24  -3.694  -7.980  -6.826
  169   1HD2  ASN  24          1HD2      ASN  24  -6.995  -8.480  -5.859
  170   2HD2  ASN  24          2HD2      ASN  24  -7.505  -9.130  -7.400
  171    H    LYS  25           H        LYS  25  -3.054  -9.064  -4.445
  172    HA   LYS  25           HA       LYS  25  -4.529 -11.430  -4.091
  173   1HB   LYS  25          2HB       LYS  25  -1.888 -10.797  -3.895
  174   2HB   LYS  25          3HB       LYS  25  -2.255 -11.045  -2.187
  175   1HG   LYS  25          2HG       LYS  25  -3.242 -13.263  -2.710
  176   2HG   LYS  25          3HG       LYS  25  -2.931 -12.999  -4.437
  177   1HD   LYS  25          2HD       LYS  25  -0.496 -12.869  -3.991
  178   2HD   LYS  25          3HD       LYS  25  -0.799 -13.207  -2.272
  179   1HE   LYS  25          2HE       LYS  25  -1.849 -15.387  -2.878
  180   2HE   LYS  25          3HE       LYS  25  -1.613 -15.038  -4.598
  181   1HZ   LYS  25          1HZ       LYS  25   0.546 -15.419  -2.631
  182   2HZ   LYS  25          2HZ       LYS  25   0.062 -16.500  -3.768
  183   3HZ   LYS  25          3HZ       LYS  25   0.755 -15.087  -4.232
  184    H    LEU  26           H        LEU  26  -4.050  -8.765  -1.794
  185    HA   LEU  26           HA       LEU  26  -5.522  -9.914   0.401
  186   1HB   LEU  26          2HB       LEU  26  -4.087  -7.685   0.240
  187   2HB   LEU  26          3HB       LEU  26  -5.609  -6.967  -0.278
  188    HG   LEU  26           HG       LEU  26  -5.504  -6.470   1.932
  189   1HD1  LEU  26          1HD1      LEU  26  -7.199  -8.956   2.044
  190   2HD1  LEU  26          2HD1      LEU  26  -7.391  -7.399   2.888
  191   3HD1  LEU  26          3HD1      LEU  26  -7.667  -7.494   1.141
  192   1HD2  LEU  26          1HD2      LEU  26  -4.744  -9.322   2.601
  193   2HD2  LEU  26          2HD2      LEU  26  -3.723  -7.860   2.678
  194   3HD2  LEU  26          3HD2      LEU  26  -5.111  -8.018   3.761
  195    H    GLY  27           H        GLY  27  -6.469  -7.873  -2.386
  196   1HA   GLY  27          2HA       GLY  27  -8.279  -8.140  -3.794
  197   2HA   GLY  27          3HA       GLY  27  -8.921  -9.408  -2.744
  198    H    GLY  28           H        GLY  28  -9.472  -8.356  -0.426
  199   1HA   GLY  28          2HA       GLY  28 -11.788  -6.671  -0.962
  200   2HA   GLY  28          3HA       GLY  28 -11.235  -7.266   0.610
  201    H    VAL  29           H        VAL  29  -9.712  -5.127  -1.864
  202    HA   VAL  29           HA       VAL  29  -9.465  -2.946   0.149
  203    HB   VAL  29           HB       VAL  29  -7.086  -2.671  -0.465
  204   1HG1  VAL  29          1HG1      VAL  29  -7.614  -5.488   0.516
  205   2HG1  VAL  29          2HG1      VAL  29  -6.163  -4.537   0.813
  206   3HG1  VAL  29          3HG1      VAL  29  -7.704  -4.052   1.564
  207   1HG2  VAL  29          1HG2      VAL  29  -7.192  -3.912  -2.687
  208   2HG2  VAL  29          2HG2      VAL  29  -5.866  -4.400  -1.620
  209   3HG2  VAL  29          3HG2      VAL  29  -7.307  -5.423  -1.765
  210    H    LYS  30           H        LYS  30  -9.136  -0.832  -0.785
  211    HA   LYS  30           HA       LYS  30  -8.480  -0.706  -3.567
  212   1HB   LYS  30          2HB       LYS  30 -11.016   0.567  -2.511
  213   2HB   LYS  30          3HB       LYS  30 -10.054   1.399  -3.728
  214   1HG   LYS  30          2HG       LYS  30 -11.294  -1.353  -4.055
  215   2HG   LYS  30          3HG       LYS  30 -11.863   0.163  -4.714
  216   1HD   LYS  30          2HD       LYS  30 -10.785  -0.386  -6.584
  217   2HD   LYS  30          3HD       LYS  30  -9.385   0.307  -5.792
  218   1HE   LYS  30          2HE       LYS  30  -9.065  -1.877  -7.026
  219   2HE   LYS  30          3HE       LYS  30  -8.418  -1.854  -5.394
  220   1HZ   LYS  30          1HZ       LYS  30  -9.653  -3.871  -5.956
  221   2HZ   LYS  30          2HZ       LYS  30 -10.193  -3.106  -4.620
  222   3HZ   LYS  30          3HZ       LYS  30 -11.054  -3.003  -6.035
  223    H    TYR  31           H        TYR  31  -7.345   1.226  -4.020
  224    HA   TYR  31           HA       TYR  31  -6.418   2.760  -1.769
  225   1HB   TYR  31          2HB       TYR  31  -4.050   1.839  -2.128
  226   2HB   TYR  31          3HB       TYR  31  -5.184   0.776  -1.310
  227    HD1  TYR  31           HD1      TYR  31  -2.890   0.976  -4.052
  228    HD2  TYR  31           HD2      TYR  31  -6.247  -1.184  -2.451
  229    HE1  TYR  31           HE1      TYR  31  -2.507  -0.853  -5.678
  230    HE2  TYR  31           HE2      TYR  31  -6.022  -2.872  -4.255
  231    HH   TYR  31           HH       TYR  31  -4.673  -3.657  -5.984
  232    H    ASP  32           H        ASP  32  -5.235   4.536  -2.414
  233    HA   ASP  32           HA       ASP  32  -5.244   5.099  -5.338
  234   1HB   ASP  32          2HB       ASP  32  -6.262   6.826  -3.792
  235   2HB   ASP  32          3HB       ASP  32  -4.674   7.011  -3.036
  236    H    ILE  33           H        ILE  33  -3.199   5.901  -6.204
  237    HA   ILE  33           HA       ILE  33  -0.772   4.687  -4.966
  238    HB   ILE  33           HB       ILE  33  -2.102   4.149  -7.642
  239   1HG1  ILE  33          2HG1      ILE  33  -1.161   2.155  -5.529
  240   2HG1  ILE  33          3HG1      ILE  33  -2.809   2.816  -5.555
  241   1HG2  ILE  33          1HG2      ILE  33  -0.131   2.691  -8.121
  242   2HG2  ILE  33          2HG2      ILE  33   0.243   4.415  -8.078
  243   3HG2  ILE  33          3HG2      ILE  33   0.674   3.388  -6.689
  244   1HD1  ILE  33          1HD1      ILE  33  -2.862   2.093  -8.089
  245   2HD1  ILE  33          2HD1      ILE  33  -1.665   0.900  -7.535
  246   3HD1  ILE  33          3HD1      ILE  33  -3.292   0.995  -6.806
  247    H    ASP  34           H        ASP  34   0.222   6.672  -4.709
  248    HA   ASP  34           HA       ASP  34   0.328   8.511  -7.082
  249   1HB   ASP  34          2HB       ASP  34  -0.433   9.502  -4.920
  250   2HB   ASP  34          3HB       ASP  34   1.172   9.096  -4.264
  251    H    LEU  35           H        LEU  35   1.975   7.805  -8.334
  252    HA   LEU  35           HA       LEU  35   4.273   6.523  -7.280
  253   1HB   LEU  35          2HB       LEU  35   2.895   6.523  -9.642
  254   2HB   LEU  35          3HB       LEU  35   4.275   7.516 -10.097
  255    HG   LEU  35           HG       LEU  35   4.620   4.851  -8.635
  256   1HD1  LEU  35          1HD1      LEU  35   3.136   4.487 -10.552
  257   2HD1  LEU  35          2HD1      LEU  35   4.369   5.173 -11.635
  258   3HD1  LEU  35          3HD1      LEU  35   4.702   3.669 -10.730
  259   1HD2  LEU  35          1HD2      LEU  35   6.808   4.918  -9.804
  260   2HD2  LEU  35          2HD2      LEU  35   6.328   6.435 -10.605
  261   3HD2  LEU  35          3HD2      LEU  35   6.542   6.394  -8.844
  262    HA   PRO  36           HA       PRO  36   6.682  10.492  -8.451
  263   1HB   PRO  36          2HB       PRO  36   5.295  12.911  -8.282
  264   2HB   PRO  36          3HB       PRO  36   5.715  12.038  -9.784
  265   1HG   PRO  36          2HG       PRO  36   3.116  11.973  -8.258
  266   2HG   PRO  36          3HG       PRO  36   3.352  12.106 -10.020
  267   1HD   PRO  36          2HD       PRO  36   2.718   9.765  -8.902
  268   2HD   PRO  36          3HD       PRO  36   3.935   9.810 -10.203
  269    H    ASN  37           H        ASN  37   3.889  10.792  -6.183
  270    HA   ASN  37           HA       ASN  37   5.710  11.918  -4.108
  271   1HB   ASN  37          2HB       ASN  37   2.721  11.480  -3.952
  272   2HB   ASN  37          3HB       ASN  37   3.737  12.246  -2.763
  273   1HD2  ASN  37          1HD2      ASN  37   1.715  12.939  -5.379
  274   2HD2  ASN  37          2HD2      ASN  37   2.312  14.567  -5.701
  275    H    LYS  38           H        LYS  38   4.929   8.815  -5.155
  276    HA   LYS  38           HA       LYS  38   5.518   6.809  -4.283
  277   1HB   LYS  38          2HB       LYS  38   7.181   8.577  -2.433
  278   2HB   LYS  38          3HB       LYS  38   7.487   6.878  -2.769
  279   1HG   LYS  38          2HG       LYS  38   7.832   7.358  -5.160
  280   2HG   LYS  38          3HG       LYS  38   7.418   9.045  -4.894
  281   1HD   LYS  38          2HD       LYS  38   9.384   9.174  -3.247
  282   2HD   LYS  38          3HD       LYS  38   9.851   7.576  -3.845
  283   1HE   LYS  38          2HE       LYS  38  11.102   9.213  -5.111
  284   2HE   LYS  38          3HE       LYS  38   9.892   8.510  -6.196
  285   1HZ   LYS  38          1HZ       LYS  38  10.003  10.899  -6.406
  286   2HZ   LYS  38          2HZ       LYS  38   8.527  10.510  -5.824
  287   3HZ   LYS  38          3HZ       LYS  38   9.657  11.117  -4.816
  288    H    LYS  39           H        LYS  39   3.089   6.941  -3.631
  289    HA   LYS  39           HA       LYS  39   2.874   6.271  -0.801
  290   1HB   LYS  39          2HB       LYS  39   1.853   8.811  -2.026
  291   2HB   LYS  39          3HB       LYS  39   0.627   7.872  -1.184
  292   1HG   LYS  39          2HG       LYS  39   2.182   7.840   0.830
  293   2HG   LYS  39          3HG       LYS  39   3.181   9.036  -0.035
  294   1HD   LYS  39          2HD       LYS  39   1.140  10.495  -0.241
  295   2HD   LYS  39          3HD       LYS  39   0.190   9.250   0.593
  296   1HE   LYS  39          2HE       LYS  39   1.762   9.497   2.582
  297   2HE   LYS  39          3HE       LYS  39   2.439  10.927   1.776
  298   1HZ   LYS  39          1HZ       LYS  39   0.107  11.803   1.804
  299   2HZ   LYS  39          2HZ       LYS  39  -0.341  10.497   2.699
  300   3HZ   LYS  39          3HZ       LYS  39   0.720  11.546   3.314
  301    H    VAL  40           H        VAL  40   1.106   5.126  -0.249
  302    HA   VAL  40           HA       VAL  40  -0.736   4.159  -2.333
  303    HB   VAL  40           HB       VAL  40   0.646   2.472  -0.200
  304   1HG1  VAL  40          1HG1      VAL  40  -1.294   1.735  -2.428
  305   2HG1  VAL  40          2HG1      VAL  40  -0.493   0.595  -1.320
  306   3HG1  VAL  40          3HG1      VAL  40  -1.660   1.770  -0.692
  307   1HG2  VAL  40          1HG2      VAL  40   2.173   3.064  -2.027
  308   2HG2  VAL  40          2HG2      VAL  40   1.742   1.360  -2.057
  309   3HG2  VAL  40          3HG2      VAL  40   0.955   2.480  -3.205
  310    H    CYS  41           H        CYS  41  -2.671   5.092  -1.533
  311    HA   CYS  41           HA       CYS  41  -2.994   5.285   1.444
  312   1HB   CYS  41          2HB       CYS  41  -4.275   6.950  -0.699
  313   2HB   CYS  41          3HB       CYS  41  -4.562   7.050   1.025
  314    HG   CYS  41           HG       CYS  41  -3.071   8.929   1.055
  315    H    ILE  42           H        ILE  42  -4.081   3.571   2.193
  316    HA   ILE  42           HA       ILE  42  -5.908   2.289   0.294
  317    HB   ILE  42           HB       ILE  42  -4.864   1.126   2.907
  318   1HG1  ILE  42          2HG1      ILE  42  -3.595   1.106   0.157
  319   2HG1  ILE  42          3HG1      ILE  42  -2.925   1.767   1.652
  320   1HG2  ILE  42          1HG2      ILE  42  -6.182  -0.028   0.401
  321   2HG2  ILE  42          2HG2      ILE  42  -5.414  -1.042   1.593
  322   3HG2  ILE  42          3HG2      ILE  42  -6.787  -0.048   2.056
  323   1HD1  ILE  42          1HD1      ILE  42  -1.796  -0.242   0.990
  324   2HD1  ILE  42          2HD1      ILE  42  -2.520  -0.432   2.563
  325   3HD1  ILE  42          3HD1      ILE  42  -3.274  -1.178   1.125
  326    H    GLU  43           H        GLU  43  -8.089   1.835   0.790
  327    HA   GLU  43           HA       GLU  43  -9.044   2.559   3.507
  328   1HB   GLU  43          2HB       GLU  43  -9.516   4.505   1.914
  329   2HB   GLU  43          3HB       GLU  43 -10.535   3.389   0.989
  330   1HG   GLU  43          2HG       GLU  43 -11.762   2.947   3.250
  331   2HG   GLU  43          3HG       GLU  43 -10.890   4.359   3.856
  332    H    SER  44           H        SER  44  -9.832   0.651   4.255
  333    HA   SER  44           HA       SER  44 -12.081  -0.402   2.981
  334   1HB   SER  44          2HB       SER  44 -10.326  -1.675   1.668
  335   2HB   SER  44          3HB       SER  44  -9.834  -2.454   3.182
  336    HG   SER  44           HG       SER  44 -11.422  -3.681   2.053
  337    H    GLU  45           H        GLU  45 -12.776  -2.446   4.306
  338    HA   GLU  45           HA       GLU  45 -12.498  -1.771   7.179
  339   1HB   GLU  45          2HB       GLU  45 -14.119  -4.050   6.019
  340   2HB   GLU  45          3HB       GLU  45 -14.335  -3.199   7.553
  341   1HG   GLU  45          2HG       GLU  45 -14.925  -2.119   4.750
  342   2HG   GLU  45          3HG       GLU  45 -16.095  -2.634   5.957
  343    H    HIS  46           H        HIS  46 -10.085  -2.347   6.423
  344    HA   HIS  46           HA       HIS  46  -9.500  -5.005   7.632
  345   1HB   HIS  46          2HB       HIS  46  -8.333  -3.864   5.062
  346   2HB   HIS  46          3HB       HIS  46  -7.459  -5.018   6.068
  347    HD1  HIS  46           1HD      HIS  46  -8.181  -7.549   5.951
  348    HD2  HIS  46           2HD      HIS  46 -10.420  -4.850   3.646
  349    HE1  HIS  46           1HE      HIS  46  -9.477  -8.941   4.257
  350    H    SER  47           H        SER  47  -8.308  -4.570   9.407
  351    HA   SER  47           HA       SER  47  -7.470  -1.970  10.086
  352   1HB   SER  47          2HB       SER  47  -7.879  -3.991  11.624
  353   2HB   SER  47          3HB       SER  47  -6.207  -4.476  11.257
  354    HG   SER  47           HG       SER  47  -5.534  -2.876  12.506
  355    H    MET  48           H        MET  48  -5.517  -0.954  10.118
  356    HA   MET  48           HA       MET  48  -3.743  -1.149   8.035
  357   1HB   MET  48          2HB       MET  48  -2.125   0.130   9.333
  358   2HB   MET  48          3HB       MET  48  -3.738   0.843   9.346
  359   1HG   MET  48          2HG       MET  48  -2.855  -0.969  11.572
  360   2HG   MET  48          3HG       MET  48  -2.334   0.719  11.537
  361   1HE   MET  48          1HE       MET  48  -5.093   0.434  14.381
  362   2HE   MET  48          2HE       MET  48  -4.036  -0.895  13.855
  363   3HE   MET  48          3HE       MET  48  -3.370   0.747  14.054
  364    H    ASP  49           H        ASP  49  -3.604  -3.009  11.056
  365    HA   ASP  49           HA       ASP  49  -1.042  -4.099  10.845
  366   1HB   ASP  49          2HB       ASP  49  -3.471  -5.625  11.876
  367   2HB   ASP  49          3HB       ASP  49  -1.801  -5.685  12.444
  368    H    THR  50           H        THR  50  -4.165  -5.502   9.783
  369    HA   THR  50           HA       THR  50  -3.257  -7.813   8.557
  370    HB   THR  50           HB       THR  50  -5.651  -6.171   7.626
  371    HG1  THR  50           1HG      THR  50  -6.689  -7.130   9.494
  372   1HG2  THR  50          1HG2      THR  50  -6.730  -8.399   7.527
  373   2HG2  THR  50          2HG2      THR  50  -5.260  -8.376   6.533
  374   3HG2  THR  50          3HG2      THR  50  -5.245  -9.159   8.128
  375    H    LEU  51           H        LEU  51  -3.755  -4.532   7.238
  376    HA   LEU  51           HA       LEU  51  -3.040  -5.178   4.514
  377   1HB   LEU  51          2HB       LEU  51  -2.869  -2.537   6.040
  378   2HB   LEU  51          3HB       LEU  51  -2.554  -2.769   4.322
  379    HG   LEU  51           HG       LEU  51  -5.185  -2.852   5.816
  380   1HD1  LEU  51          1HD1      LEU  51  -4.213  -0.775   4.747
  381   2HD1  LEU  51          2HD1      LEU  51  -4.161  -1.659   3.218
  382   3HD1  LEU  51          3HD1      LEU  51  -5.736  -1.279   3.972
  383   1HD2  LEU  51          1HD2      LEU  51  -6.269  -3.659   3.701
  384   2HD2  LEU  51          2HD2      LEU  51  -4.672  -4.090   3.065
  385   3HD2  LEU  51          3HD2      LEU  51  -5.327  -4.920   4.499
  386    H    LEU  52           H        LEU  52  -1.185  -3.581   7.138
  387    HA   LEU  52           HA       LEU  52   1.249  -3.206   6.059
  388   1HB   LEU  52          2HB       LEU  52   0.381  -3.908   8.802
  389   2HB   LEU  52          3HB       LEU  52   2.090  -3.966   8.386
  390    HG   LEU  52           HG       LEU  52   0.435  -1.555   7.625
  391   1HD1  LEU  52          1HD1      LEU  52  -0.007  -1.888   9.946
  392   2HD1  LEU  52          2HD1      LEU  52   1.732  -2.022  10.296
  393   3HD1  LEU  52          3HD1      LEU  52   1.039  -0.480   9.699
  394   1HD2  LEU  52          1HD2      LEU  52   3.362  -1.804   8.514
  395   2HD2  LEU  52          2HD2      LEU  52   2.891  -1.883   6.811
  396   3HD2  LEU  52          3HD2      LEU  52   2.595  -0.406   7.742
  397    H    ALA  53           H        ALA  53   0.281  -6.203   7.801
  398    HA   ALA  53           HA       ALA  53   2.611  -7.687   7.333
  399   1HB   ALA  53          1HB       ALA  53  -0.274  -8.688   7.490
  400   2HB   ALA  53          2HB       ALA  53   1.184  -9.673   7.742
  401   3HB   ALA  53          3HB       ALA  53   0.792  -8.364   8.875
  402    H    THR  54           H        THR  54  -0.148  -7.154   5.086
  403    HA   THR  54           HA       THR  54   1.018  -9.043   3.169
  404    HB   THR  54           HB       THR  54  -1.502  -7.391   3.242
  405    HG1  THR  54           1HG      THR  54  -1.757  -9.198   4.337
  406   1HG2  THR  54          1HG2      THR  54  -0.905  -7.342   0.941
  407   2HG2  THR  54          2HG2      THR  54  -0.372  -9.040   0.946
  408   3HG2  THR  54          3HG2      THR  54  -2.089  -8.641   1.130
  409    H    LEU  55           H        LEU  55   0.758  -5.494   3.539
  410    HA   LEU  55           HA       LEU  55   1.660  -4.948   0.910
  411   1HB   LEU  55          2HB       LEU  55   0.651  -3.550   3.159
  412   2HB   LEU  55          3HB       LEU  55   2.231  -2.815   2.798
  413    HG   LEU  55           HG       LEU  55  -0.330  -2.906   1.257
  414   1HD1  LEU  55          1HD1      LEU  55   1.631  -0.783   2.264
  415   2HD1  LEU  55          2HD1      LEU  55   0.294  -0.389   1.208
  416   3HD1  LEU  55          3HD1      LEU  55  -0.039  -1.095   2.804
  417   1HD2  LEU  55          1HD2      LEU  55   1.179  -3.395  -0.501
  418   2HD2  LEU  55          2HD2      LEU  55   0.862  -1.659  -0.536
  419   3HD2  LEU  55          3HD2      LEU  55   2.410  -2.257   0.131
  420    H    LYS  56           H        LYS  56   3.269  -5.393   4.033
  421    HA   LYS  56           HA       LYS  56   5.966  -4.954   3.459
  422   1HB   LYS  56          2HB       LYS  56   4.388  -6.658   5.357
  423   2HB   LYS  56          3HB       LYS  56   6.007  -7.195   5.042
  424   1HG   LYS  56          2HG       LYS  56   6.022  -5.802   6.944
  425   2HG   LYS  56          3HG       LYS  56   6.971  -5.062   5.639
  426   1HD   LYS  56          2HD       LYS  56   4.842  -3.645   5.160
  427   2HD   LYS  56          3HD       LYS  56   4.233  -4.217   6.706
  428   1HE   LYS  56          2HE       LYS  56   6.887  -2.730   6.295
  429   2HE   LYS  56          3HE       LYS  56   5.377  -1.958   6.780
  430   1HZ   LYS  56          1HZ       LYS  56   5.401  -3.317   8.769
  431   2HZ   LYS  56          2HZ       LYS  56   6.821  -4.019   8.311
  432   3HZ   LYS  56          3HZ       LYS  56   6.767  -2.411   8.644
  433    H    LYS  57           H        LYS  57   3.923  -7.576   2.168
  434    HA   LYS  57           HA       LYS  57   6.109  -9.344   1.617
  435   1HB   LYS  57          2HB       LYS  57   3.414  -9.142   0.255
  436   2HB   LYS  57          3HB       LYS  57   4.543 -10.484   0.099
  437   1HG   LYS  57          2HG       LYS  57   4.306 -11.127   2.396
  438   2HG   LYS  57          3HG       LYS  57   3.476  -9.626   2.815
  439   1HD   LYS  57          2HD       LYS  57   1.592 -10.240   1.330
  440   2HD   LYS  57          3HD       LYS  57   2.355 -11.797   0.994
  441   1HE   LYS  57          2HE       LYS  57   2.006 -12.623   3.162
  442   2HE   LYS  57          3HE       LYS  57   1.927 -11.030   3.902
  443   1HZ   LYS  57          1HZ       LYS  57  -0.280 -10.716   3.050
  444   2HZ   LYS  57          2HZ       LYS  57  -0.205 -12.119   2.184
  445   3HZ   LYS  57          3HZ       LYS  57  -0.198 -12.145   3.824
  446    H    THR  58           H        THR  58   5.189  -6.331   0.073
  447    HA   THR  58           HA       THR  58   6.581  -6.826  -2.455
  448    HB   THR  58           HB       THR  58   6.651  -4.424  -2.650
  449    HG1  THR  58           1HG      THR  58   5.439  -4.228  -0.087
  450   1HG2  THR  58          1HG2      THR  58   4.521  -5.588  -3.152
  451   2HG2  THR  58          2HG2      THR  58   3.997  -5.268  -1.480
  452   3HG2  THR  58          3HG2      THR  58   4.295  -3.917  -2.585
  453    H    GLY  59           H        GLY  59   7.453  -5.809   0.805
  454   1HA   GLY  59          2HA       GLY  59   9.345  -5.317   1.820
  455   2HA   GLY  59          3HA       GLY  59  10.178  -6.430   0.709
  456    H    LYS  60           H        LYS  60   8.491  -3.424  -0.315
  457    HA   LYS  60           HA       LYS  60  11.119  -2.105  -0.834
  458   1HB   LYS  60          2HB       LYS  60   8.447  -0.786  -1.202
  459   2HB   LYS  60          3HB       LYS  60   9.986  -0.437  -1.968
  460   1HG   LYS  60          2HG       LYS  60   8.037  -2.634  -2.613
  461   2HG   LYS  60          3HG       LYS  60   8.535  -1.296  -3.629
  462   1HD   LYS  60          2HD       LYS  60  10.104  -3.805  -2.902
  463   2HD   LYS  60          3HD       LYS  60   9.501  -3.322  -4.471
  464   1HE   LYS  60          2HE       LYS  60  11.897  -2.194  -2.966
  465   2HE   LYS  60          3HE       LYS  60  11.836  -2.987  -4.539
  466   1HZ   LYS  60          1HZ       LYS  60  12.089  -0.725  -4.953
  467   2HZ   LYS  60          2HZ       LYS  60  10.486  -0.913  -5.240
  468   3HZ   LYS  60          3HZ       LYS  60  11.071  -0.233  -3.845
  469    H    THR  61           H        THR  61  10.821   0.396  -0.063
  470    HA   THR  61           HA       THR  61  10.791   0.395   2.729
  471    HB   THR  61           HB       THR  61  10.587   2.801   1.011
  472    HG1  THR  61           1HG      THR  61  12.742   2.467   0.393
  473   1HG2  THR  61          1HG2      THR  61  12.432   2.109   3.347
  474   2HG2  THR  61          2HG2      THR  61  12.365   3.671   2.507
  475   3HG2  THR  61          3HG2      THR  61  10.976   3.124   3.462
  476    H    VAL  62           H        VAL  62   8.345  -0.613   2.469
  477    HA   VAL  62           HA       VAL  62   6.265   1.324   2.125
  478    HB   VAL  62           HB       VAL  62   4.801  -0.529   2.794
  479   1HG1  VAL  62          1HG1      VAL  62   6.845  -1.251   0.659
  480   2HG1  VAL  62          2HG1      VAL  62   5.203  -1.909   0.805
  481   3HG1  VAL  62          3HG1      VAL  62   5.428  -0.201   0.447
  482   1HG2  VAL  62          1HG2      VAL  62   7.302  -2.266   2.968
  483   2HG2  VAL  62          2HG2      VAL  62   6.211  -1.862   4.305
  484   3HG2  VAL  62          3HG2      VAL  62   5.618  -2.804   2.943
  485    H    SER  63           H        SER  63   6.653   2.939   3.476
  486    HA   SER  63           HA       SER  63   6.985   2.603   6.377
  487   1HB   SER  63          2HB       SER  63   6.787   5.119   4.659
  488   2HB   SER  63          3HB       SER  63   7.460   4.993   6.286
  489    HG   SER  63           HG       SER  63   8.476   3.673   3.945
  490    H    TYR  64           H        TYR  64   5.300   3.091   7.875
  491    HA   TYR  64           HA       TYR  64   2.623   3.237   6.727
  492   1HB   TYR  64          2HB       TYR  64   3.231   1.740   8.635
  493   2HB   TYR  64          3HB       TYR  64   3.469   3.167   9.646
  494    HD1  TYR  64           HD1      TYR  64   1.564   4.187  10.717
  495    HD2  TYR  64           HD2      TYR  64   0.970   1.501   7.404
  496    HE1  TYR  64           HE1      TYR  64  -0.848   4.693  10.729
  497    HE2  TYR  64           HE2      TYR  64  -1.417   2.064   7.374
  498    HH   TYR  64           HH       TYR  64  -2.515   4.806   8.546
  499    H    LEU  65           H        LEU  65   1.382   5.021   6.553
  500    HA   LEU  65           HA       LEU  65   2.158   7.620   7.813
  501   1HB   LEU  65          2HB       LEU  65   1.210   6.871   5.032
  502   2HB   LEU  65          3HB       LEU  65   0.905   8.478   5.655
  503    HG   LEU  65           HG       LEU  65   2.890   7.964   4.099
  504   1HD1  LEU  65          1HD1      LEU  65   3.241   9.753   6.525
  505   2HD1  LEU  65          2HD1      LEU  65   4.150   9.859   5.000
  506   3HD1  LEU  65          3HD1      LEU  65   2.405  10.178   5.007
  507   1HD2  LEU  65          1HD2      LEU  65   4.003   6.251   5.452
  508   2HD2  LEU  65          2HD2      LEU  65   5.055   7.644   5.176
  509   3HD2  LEU  65          3HD2      LEU  65   4.284   7.447   6.746
  510    H    GLY  66           H        GLY  66   0.063   9.027   7.631
  511   1HA   GLY  66          2HA       GLY  66  -1.997   9.266   8.825
  512   2HA   GLY  66          3HA       GLY  66  -2.346   8.844   7.154
  513    H    LEU  67           H        LEU  67  -2.839   7.992  10.415
  514    HA   LEU  67           HA       LEU  67  -4.500   5.649   9.594
  515   1HB   LEU  67          2HB       LEU  67  -3.051   5.012  11.424
  516   2HB   LEU  67          3HB       LEU  67  -3.431   6.490  12.319
  517    HG   LEU  67           HG       LEU  67  -5.730   5.756  12.681
  518   1HD1  LEU  67          1HD1      LEU  67  -4.962   3.371  10.951
  519   2HD1  LEU  67          2HD1      LEU  67  -6.411   3.432  11.980
  520   3HD1  LEU  67          3HD1      LEU  67  -6.254   4.555  10.630
  521   1HD2  LEU  67          1HD2      LEU  67  -5.312   3.777  14.069
  522   2HD2  LEU  67          2HD2      LEU  67  -3.770   3.491  13.238
  523   3HD2  LEU  67          3HD2      LEU  67  -3.985   4.945  14.241
  524    H    GLU  68           H        GLU  68  -6.540   6.374   9.127
  525    HA   GLU  68           HA       GLU  68  -7.627   8.797  10.477
  526   1HB   GLU  68          2HB       GLU  68  -7.358   8.079   7.552
  527   2HB   GLU  68          3HB       GLU  68  -8.449   9.355   8.115
  528   1HG   GLU  68          2HG       GLU  68  -6.650  10.796   8.636
  529   2HG   GLU  68          3HG       GLU  68  -5.488   9.475   8.806
  Start of MODEL   18
    1   1H    MET   1           H1       MET   1  -8.712   0.900  10.374
    2   2H    MET   1           H2       MET   1  -9.451  -0.431  11.042
    3   3H    MET   1           H3       MET   1  -9.318  -0.287   9.417
    4    HA   MET   1           HA       MET   1 -11.511   0.159  10.056
    5   1HB   MET   1          2HB       MET   1 -10.634   2.665  11.500
    6   2HB   MET   1          3HB       MET   1 -12.173   1.791  11.555
    7   1HG   MET   1          2HG       MET   1 -11.080  -0.101  12.688
    8   2HG   MET   1          3HG       MET   1  -9.610   0.892  12.852
    9   1HE   MET   1          1HE       MET   1 -11.064   0.723  16.474
   10   2HE   MET   1          2HE       MET   1 -11.149  -0.558  15.242
   11   3HE   MET   1          3HE       MET   1  -9.653   0.392  15.442
   12    HA   PRO   2           HA       PRO   2 -12.466   2.616   6.772
   13   1HB   PRO   2          2HB       PRO   2 -11.651   5.414   7.400
   14   2HB   PRO   2          3HB       PRO   2 -13.081   4.849   6.536
   15   1HG   PRO   2          2HG       PRO   2 -13.262   5.510   9.169
   16   2HG   PRO   2          3HG       PRO   2 -14.145   4.104   8.504
   17   1HD   PRO   2          2HD       PRO   2 -11.676   4.146  10.177
   18   2HD   PRO   2          3HD       PRO   2 -13.019   2.946  10.065
   19    H    LYS   3           H        LYS   3  -9.508   4.703   7.473
   20    HA   LYS   3           HA       LYS   3  -8.337   3.446   5.055
   21   1HB   LYS   3          2HB       LYS   3  -7.846   5.379   3.925
   22   2HB   LYS   3          3HB       LYS   3  -9.479   5.683   4.543
   23   1HG   LYS   3          2HG       LYS   3  -8.358   6.969   6.448
   24   2HG   LYS   3          3HG       LYS   3  -6.822   6.736   5.638
   25   1HD   LYS   3          2HD       LYS   3  -7.537   8.910   5.032
   26   2HD   LYS   3          3HD       LYS   3  -7.685   7.877   3.611
   27   1HE   LYS   3          2HE       LYS   3  -9.599   9.357   3.738
   28   2HE   LYS   3          3HE       LYS   3 -10.161   7.708   3.999
   29   1HZ   LYS   3          1HZ       LYS   3 -11.145   9.220   5.582
   30   2HZ   LYS   3          2HZ       LYS   3 -10.166   8.218   6.413
   31   3HZ   LYS   3          3HZ       LYS   3  -9.697   9.751   6.093
   32    H    HIS   4           H        HIS   4  -6.085   3.438   4.910
   33    HA   HIS   4           HA       HIS   4  -4.584   4.407   7.262
   34   1HB   HIS   4          2HB       HIS   4  -3.421   1.926   6.628
   35   2HB   HIS   4          3HB       HIS   4  -4.189   2.388   8.124
   36    HD1  HIS   4           1HD      HIS   4  -7.263   2.032   7.437
   37    HD2  HIS   4           2HD      HIS   4  -4.112  -0.479   6.261
   38    HE1  HIS   4           1HE      HIS   4  -8.281  -0.256   6.944
   39    H    GLU   5           H        GLU   5  -2.571   5.146   6.735
   40    HA   GLU   5           HA       GLU   5  -2.117   5.377   3.800
   41   1HB   GLU   5          2HB       GLU   5  -1.208   7.183   6.012
   42   2HB   GLU   5          3HB       GLU   5  -1.166   7.542   4.326
   43   1HG   GLU   5          2HG       GLU   5  -3.105   8.689   4.951
   44   2HG   GLU   5          3HG       GLU   5  -3.882   7.106   4.722
   45    H    PHE   6           H        PHE   6   0.003   5.233   2.878
   46    HA   PHE   6           HA       PHE   6   2.254   4.337   4.606
   47   1HB   PHE   6          2HB       PHE   6   1.264   2.752   2.206
   48   2HB   PHE   6          3HB       PHE   6   2.579   2.343   3.288
   49    HD1  PHE   6           1HD      PHE   6   2.134   0.877   5.176
   50    HD2  PHE   6           2HD      PHE   6  -1.161   2.744   3.096
   51    HE1  PHE   6           1HE      PHE   6   0.558  -0.664   6.251
   52    HE2  PHE   6           2HE      PHE   6  -2.735   1.317   4.338
   53    HZ   PHE   6           HZ       PHE   6  -1.871  -0.419   5.909
   54    H    SER   7           H        SER   7   4.027   5.531   3.934
   55    HA   SER   7           HA       SER   7   4.100   6.552   1.143
   56   1HB   SER   7          2HB       SER   7   4.697   8.038   3.031
   57   2HB   SER   7          3HB       SER   7   6.083   7.000   3.397
   58    HG   SER   7           HG       SER   7   6.788   7.463   1.196
   59    H    VAL   8           H        VAL   8   5.760   5.791  -0.354
   60    HA   VAL   8           HA       VAL   8   7.059   3.228   0.415
   61    HB   VAL   8           HB       VAL   8   5.166   3.612  -1.943
   62   1HG1  VAL   8          1HG1      VAL   8   5.307   1.042  -1.997
   63   2HG1  VAL   8          2HG1      VAL   8   6.707   1.896  -2.594
   64   3HG1  VAL   8          3HG1      VAL   8   6.728   1.193  -0.954
   65   1HG2  VAL   8          1HG2      VAL   8   4.787   2.232   0.721
   66   2HG2  VAL   8          2HG2      VAL   8   3.797   3.527   0.019
   67   3HG2  VAL   8          3HG2      VAL   8   3.751   1.906  -0.672
   68    H    ASP   9           H        ASP   9   8.374   2.455  -1.553
   69    HA   ASP   9           HA       ASP   9   9.563   4.727  -3.081
   70   1HB   ASP   9          2HB       ASP   9  11.282   3.805  -1.719
   71   2HB   ASP   9          3HB       ASP   9  10.788   2.134  -2.106
   72    H    MET  10           H        MET  10   8.469   4.690  -4.926
   73    HA   MET  10           HA       MET  10   8.680   2.224  -6.506
   74   1HB   MET  10          2HB       MET  10   6.495   4.289  -7.033
   75   2HB   MET  10          3HB       MET  10   6.742   2.732  -7.823
   76   1HG   MET  10          2HG       MET  10   4.981   2.283  -6.464
   77   2HG   MET  10          3HG       MET  10   6.267   1.791  -5.357
   78   1HE   MET  10          1HE       MET  10   3.026   2.832  -5.150
   79   2HE   MET  10          2HE       MET  10   3.831   2.078  -3.747
   80   3HE   MET  10          3HE       MET  10   3.080   3.693  -3.601
   81    H    THR  11           H        THR  11  10.858   3.596  -6.361
   82    HA   THR  11           HA       THR  11  10.955   5.800  -8.203
   83    HB   THR  11           HB       THR  11  13.178   3.975  -7.217
   84    HG1  THR  11           1HG      THR  11  12.166   4.931  -5.528
   85   1HG2  THR  11          1HG2      THR  11  14.597   6.014  -7.574
   86   2HG2  THR  11          2HG2      THR  11  14.020   5.316  -9.092
   87   3HG2  THR  11          3HG2      THR  11  13.244   6.777  -8.434
   88    H    CYS  12           HN       CYS  12  10.450   2.458  -8.863
   89    HA   CYS  12           HA       CYS  12  10.526   3.218 -11.676
   90   1HB   CYS  12          2HB       CYS  12  11.122   0.861 -12.293
   91   2HB   CYS  12          3HB       CYS  12  12.439   1.885 -11.725
   92    H    GLY  13           H        GLY  13   8.743   2.655 -12.717
   93   1HA   GLY  13          2HA       GLY  13   6.381   2.698 -11.404
   94   2HA   GLY  13          3HA       GLY  13   6.549   2.084 -13.053
   95    H    GLY  14           H        GLY  14   8.099  -0.240 -12.410
   96   1HA   GLY  14          2HA       GLY  14   6.097  -2.117 -12.117
   97   2HA   GLY  14          3HA       GLY  14   7.828  -2.445 -11.873
   98    H    CYS  15           HN       CYS  15   7.871  -0.467  -9.485
   99    HA   CYS  15           HA       CYS  15   7.165  -2.331  -7.411
  100   1HB   CYS  15          2HB       CYS  15   7.671   0.628  -7.452
  101   2HB   CYS  15          3HB       CYS  15   7.420  -0.281  -5.958
  102    H    ALA  16           H        ALA  16   5.363   0.350  -8.992
  103    HA   ALA  16           HA       ALA  16   3.187   0.369  -7.083
  104   1HB   ALA  16          1HB       ALA  16   3.638   2.241  -8.642
  105   2HB   ALA  16          2HB       ALA  16   3.182   1.204 -10.015
  106   3HB   ALA  16          3HB       ALA  16   1.981   1.620  -8.782
  107    H    GLU  17           H        GLU  17   3.824  -1.288 -10.206
  108    HA   GLU  17           HA       GLU  17   1.401  -2.738 -10.395
  109   1HB   GLU  17          2HB       GLU  17   4.182  -3.686 -11.222
  110   2HB   GLU  17          3HB       GLU  17   2.635  -4.306 -11.782
  111   1HG   GLU  17          2HG       GLU  17   2.132  -2.198 -12.905
  112   2HG   GLU  17          3HG       GLU  17   3.605  -1.450 -12.262
  113    H    ALA  18           H        ALA  18   4.517  -3.604  -8.830
  114    HA   ALA  18           HA       ALA  18   3.798  -6.153  -7.865
  115   1HB   ALA  18          1HB       ALA  18   6.118  -5.243  -7.885
  116   2HB   ALA  18          2HB       ALA  18   5.670  -4.130  -6.572
  117   3HB   ALA  18          3HB       ALA  18   5.648  -5.877  -6.289
  118    H    VAL  19           H        VAL  19   3.621  -2.962  -6.139
  119    HA   VAL  19           HA       VAL  19   2.455  -3.893  -3.770
  120    HB   VAL  19           HB       VAL  19   2.263  -1.257  -5.287
  121   1HG1  VAL  19          1HG1      VAL  19   0.328  -1.320  -3.945
  122   2HG1  VAL  19          2HG1      VAL  19   1.180  -2.234  -2.659
  123   3HG1  VAL  19          3HG1      VAL  19   1.517  -0.490  -2.924
  124   1HG2  VAL  19          1HG2      VAL  19   3.916  -0.449  -3.811
  125   2HG2  VAL  19          2HG2      VAL  19   3.713  -1.783  -2.672
  126   3HG2  VAL  19          3HG2      VAL  19   4.530  -2.058  -4.223
  127    H    SER  20           H        SER  20   0.910  -2.706  -6.784
  128    HA   SER  20           HA       SER  20  -1.751  -2.986  -5.873
  129   1HB   SER  20          2HB       SER  20  -0.842  -1.886  -8.043
  130   2HB   SER  20          3HB       SER  20  -0.705  -3.472  -8.748
  131    HG   SER  20           HG       SER  20  -2.659  -2.523  -9.346
  132    H    ARG  21           H        ARG  21   0.255  -5.269  -7.621
  133    HA   ARG  21           HA       ARG  21  -1.534  -7.472  -7.589
  134   1HB   ARG  21          2HB       ARG  21   0.134  -8.242  -8.816
  135   2HB   ARG  21          3HB       ARG  21   1.207  -6.995  -8.242
  136   1HG   ARG  21          2HG       ARG  21   2.067  -8.363  -6.471
  137   2HG   ARG  21          3HG       ARG  21   0.828  -9.599  -6.729
  138   1HD   ARG  21          2HD       ARG  21   3.037 -10.207  -7.714
  139   2HD   ARG  21          3HD       ARG  21   1.714 -10.159  -8.903
  140    HE   ARG  21           HE       ARG  21   2.957  -7.611  -8.842
  141   1HH1  ARG  21          2HH2      ARG  21   3.675 -10.882  -9.903
  142   2HH1  ARG  21          1HH2      ARG  21   4.709 -10.407 -11.217
  143   1HH2  ARG  21          2HH1      ARG  21   4.319  -6.918 -10.567
  144   2HH2  ARG  21          1HH1      ARG  21   5.077  -8.079 -11.596
  145    H    VAL  22           H        VAL  22   0.822  -6.495  -5.067
  146    HA   VAL  22           HA       VAL  22   0.452  -8.742  -3.384
  147    HB   VAL  22           HB       VAL  22   2.080  -6.480  -3.418
  148   1HG1  VAL  22          1HG1      VAL  22   1.972  -5.526  -1.125
  149   2HG1  VAL  22          2HG1      VAL  22   0.594  -5.034  -2.058
  150   3HG1  VAL  22          3HG1      VAL  22   0.441  -6.317  -0.839
  151   1HG2  VAL  22          1HG2      VAL  22   2.726  -8.690  -2.661
  152   2HG2  VAL  22          2HG2      VAL  22   3.177  -7.422  -1.501
  153   3HG2  VAL  22          3HG2      VAL  22   1.771  -8.461  -1.166
  154    H    LEU  23           H        LEU  23  -1.023  -5.567  -3.433
  155    HA   LEU  23           HA       LEU  23  -2.711  -6.017  -1.109
  156   1HB   LEU  23          2HB       LEU  23  -2.166  -3.846  -3.079
  157   2HB   LEU  23          3HB       LEU  23  -3.726  -3.771  -2.386
  158    HG   LEU  23           HG       LEU  23  -1.092  -4.066  -0.819
  159   1HD1  LEU  23          1HD1      LEU  23  -1.249  -1.651  -0.423
  160   2HD1  LEU  23          2HD1      LEU  23  -1.252  -1.936  -2.174
  161   3HD1  LEU  23          3HD1      LEU  23  -2.770  -1.601  -1.316
  162   1HD2  LEU  23          1HD2      LEU  23  -3.179  -4.742   0.449
  163   2HD2  LEU  23          2HD2      LEU  23  -2.425  -3.287   1.099
  164   3HD2  LEU  23          3HD2      LEU  23  -3.851  -3.158   0.035
  165    H    ASN  24           H        ASN  24  -3.256  -6.124  -4.704
  166    HA   ASN  24           HA       ASN  24  -6.018  -6.705  -4.486
  167   1HB   ASN  24          2HB       ASN  24  -5.009  -6.214  -6.652
  168   2HB   ASN  24          3HB       ASN  24  -4.006  -7.666  -6.547
  169   1HD2  ASN  24          1HD2      ASN  24  -7.473  -7.746  -5.400
  170   2HD2  ASN  24          2HD2      ASN  24  -7.916  -8.790  -6.719
  171    H    LYS  25           H        LYS  25  -3.145  -8.855  -4.301
  172    HA   LYS  25           HA       LYS  25  -4.518 -11.252  -3.901
  173   1HB   LYS  25          2HB       LYS  25  -1.854 -10.487  -3.782
  174   2HB   LYS  25          3HB       LYS  25  -2.162 -10.988  -2.123
  175   1HG   LYS  25          2HG       LYS  25  -3.210 -13.093  -2.998
  176   2HG   LYS  25          3HG       LYS  25  -2.730 -12.605  -4.644
  177   1HD   LYS  25          2HD       LYS  25  -0.336 -12.511  -3.859
  178   2HD   LYS  25          3HD       LYS  25  -0.843 -13.170  -2.300
  179   1HE   LYS  25          2HE       LYS  25  -1.086 -14.506  -5.050
  180   2HE   LYS  25          3HE       LYS  25   0.050 -14.945  -3.768
  181   1HZ   LYS  25          1HZ       LYS  25  -2.885 -15.201  -3.631
  182   2HZ   LYS  25          2HZ       LYS  25  -1.810 -16.427  -3.809
  183   3HZ   LYS  25          3HZ       LYS  25  -1.850 -15.572  -2.406
  184    H    LEU  26           H        LEU  26  -4.087  -8.645  -1.574
  185    HA   LEU  26           HA       LEU  26  -5.107  -9.945   0.784
  186   1HB   LEU  26          2HB       LEU  26  -4.098  -7.584   0.603
  187   2HB   LEU  26          3HB       LEU  26  -5.641  -7.086  -0.077
  188    HG   LEU  26           HG       LEU  26  -5.565  -6.323   2.031
  189   1HD1  LEU  26          1HD1      LEU  26  -7.678  -7.152   0.976
  190   2HD1  LEU  26          2HD1      LEU  26  -7.586  -8.541   2.098
  191   3HD1  LEU  26          3HD1      LEU  26  -7.697  -6.889   2.729
  192   1HD2  LEU  26          1HD2      LEU  26  -4.081  -7.871   3.136
  193   2HD2  LEU  26          2HD2      LEU  26  -5.611  -7.633   4.004
  194   3HD2  LEU  26          3HD2      LEU  26  -5.340  -9.144   3.096
  195    H    GLY  27           H        GLY  27  -6.682  -8.125  -1.861
  196   1HA   GLY  27          2HA       GLY  27  -8.409  -9.829  -2.793
  197   2HA   GLY  27          3HA       GLY  27  -9.334  -9.379  -1.361
  198    H    GLY  28           H        GLY  28 -10.264  -7.350  -1.201
  199   1HA   GLY  28          2HA       GLY  28 -10.472  -5.768  -3.747
  200   2HA   GLY  28          3HA       GLY  28 -11.810  -6.153  -2.657
  201    H    VAL  29           H        VAL  29  -8.558  -5.190  -1.757
  202    HA   VAL  29           HA       VAL  29  -9.359  -2.946  -0.102
  203    HB   VAL  29           HB       VAL  29  -6.767  -2.445  -0.478
  204   1HG1  VAL  29          1HG1      VAL  29  -6.119  -4.024   1.249
  205   2HG1  VAL  29          2HG1      VAL  29  -7.626  -3.180   1.686
  206   3HG1  VAL  29          3HG1      VAL  29  -7.672  -4.869   1.113
  207   1HG2  VAL  29          1HG2      VAL  29  -5.430  -4.382  -0.952
  208   2HG2  VAL  29          2HG2      VAL  29  -6.825  -5.436  -1.023
  209   3HG2  VAL  29          3HG2      VAL  29  -6.560  -4.247  -2.317
  210    H    LYS  30           H        LYS  30  -9.377  -0.722  -0.696
  211    HA   LYS  30           HA       LYS  30  -8.906  -0.106  -3.588
  212   1HB   LYS  30          2HB       LYS  30 -11.119   0.466  -3.167
  213   2HB   LYS  30          3HB       LYS  30 -10.746   1.188  -1.609
  214   1HG   LYS  30          2HG       LYS  30 -11.328   2.822  -3.311
  215   2HG   LYS  30          3HG       LYS  30  -9.767   3.130  -2.594
  216   1HD   LYS  30          2HD       LYS  30 -10.101   1.815  -5.359
  217   2HD   LYS  30          3HD       LYS  30 -10.008   3.567  -5.086
  218   1HE   LYS  30          2HE       LYS  30  -7.813   3.057  -3.815
  219   2HE   LYS  30          3HE       LYS  30  -7.876   1.504  -4.725
  220   1HZ   LYS  30          1HZ       LYS  30  -6.560   2.956  -5.799
  221   2HZ   LYS  30          2HZ       LYS  30  -7.920   2.864  -6.742
  222   3HZ   LYS  30          3HZ       LYS  30  -7.630   4.204  -5.805
  223    H    TYR  31           H        TYR  31  -6.759  -0.122  -3.332
  224    HA   TYR  31           HA       TYR  31  -5.434   1.789  -1.525
  225   1HB   TYR  31          2HB       TYR  31  -3.360   0.730  -2.374
  226   2HB   TYR  31          3HB       TYR  31  -4.464  -0.296  -1.460
  227    HD1  TYR  31           HD1      TYR  31  -2.779   0.144  -4.642
  228    HD2  TYR  31           HD2      TYR  31  -5.853  -2.033  -2.591
  229    HE1  TYR  31           HE1      TYR  31  -3.170  -1.215  -6.668
  230    HE2  TYR  31           HE2      TYR  31  -6.109  -3.540  -4.556
  231    HH   TYR  31           HH       TYR  31  -4.062  -3.219  -7.447
  232    H    ASP  32           H        ASP  32  -5.041   3.797  -2.217
  233    HA   ASP  32           HA       ASP  32  -5.162   4.385  -5.128
  234   1HB   ASP  32          2HB       ASP  32  -6.707   5.495  -3.133
  235   2HB   ASP  32          3HB       ASP  32  -5.349   6.616  -3.167
  236    H    ILE  33           H        ILE  33  -3.477   5.334  -6.115
  237    HA   ILE  33           HA       ILE  33  -0.936   4.846  -4.666
  238    HB   ILE  33           HB       ILE  33  -1.967   4.145  -7.438
  239   1HG1  ILE  33          2HG1      ILE  33  -1.201   2.024  -5.459
  240   2HG1  ILE  33          3HG1      ILE  33  -2.733   2.826  -5.167
  241   1HG2  ILE  33          1HG2      ILE  33   0.417   4.463  -7.540
  242   2HG2  ILE  33          2HG2      ILE  33   0.662   3.464  -6.088
  243   3HG2  ILE  33          3HG2      ILE  33   0.069   2.728  -7.598
  244   1HD1  ILE  33          1HD1      ILE  33  -3.504   1.157  -6.536
  245   2HD1  ILE  33          2HD1      ILE  33  -3.295   2.431  -7.686
  246   3HD1  ILE  33          3HD1      ILE  33  -2.051   1.150  -7.564
  247    H    ASP  34           H        ASP  34   0.253   6.701  -4.637
  248    HA   ASP  34           HA       ASP  34   0.258   8.499  -7.037
  249   1HB   ASP  34          2HB       ASP  34  -0.274   9.545  -4.823
  250   2HB   ASP  34          3HB       ASP  34   1.319   8.974  -4.273
  251    H    LEU  35           H        LEU  35   1.747   7.565  -8.380
  252    HA   LEU  35           HA       LEU  35   4.130   6.307  -7.456
  253   1HB   LEU  35          2HB       LEU  35   2.582   6.352  -9.787
  254   2HB   LEU  35          3HB       LEU  35   4.059   7.183 -10.275
  255    HG   LEU  35           HG       LEU  35   4.074   4.530  -8.752
  256   1HD1  LEU  35          1HD1      LEU  35   2.706   4.271 -10.750
  257   2HD1  LEU  35          2HD1      LEU  35   4.023   4.911 -11.762
  258   3HD1  LEU  35          3HD1      LEU  35   4.236   3.366 -10.896
  259   1HD2  LEU  35          1HD2      LEU  35   6.168   5.852  -8.847
  260   2HD2  LEU  35          2HD2      LEU  35   6.318   4.329  -9.747
  261   3HD2  LEU  35          3HD2      LEU  35   6.082   5.865 -10.619
  262    HA   PRO  36           HA       PRO  36   6.389  10.191  -9.152
  263   1HB   PRO  36          2HB       PRO  36   5.106  12.659  -8.915
  264   2HB   PRO  36          3HB       PRO  36   5.255  11.687 -10.404
  265   1HG   PRO  36          2HG       PRO  36   2.943  11.791  -8.473
  266   2HG   PRO  36          3HG       PRO  36   2.885  11.820 -10.256
  267   1HD   PRO  36          2HD       PRO  36   2.388   9.579  -8.910
  268   2HD   PRO  36          3HD       PRO  36   3.379   9.490 -10.388
  269    H    ASN  37           H        ASN  37   4.077  10.588  -6.434
  270    HA   ASN  37           HA       ASN  37   6.242  11.752  -4.750
  271   1HB   ASN  37          2HB       ASN  37   3.355  11.113  -4.083
  272   2HB   ASN  37          3HB       ASN  37   4.552  11.724  -2.953
  273   1HD2  ASN  37          1HD2      ASN  37   2.195  12.749  -5.235
  274   2HD2  ASN  37          2HD2      ASN  37   2.758  14.412  -5.360
  275    H    LYS  38           H        LYS  38   4.777   8.628  -5.398
  276    HA   LYS  38           HA       LYS  38   5.298   6.586  -4.948
  277   1HB   LYS  38          2HB       LYS  38   7.606   7.549  -3.295
  278   2HB   LYS  38          3HB       LYS  38   7.244   5.912  -3.778
  279   1HG   LYS  38          2HG       LYS  38   9.002   6.504  -5.221
  280   2HG   LYS  38          3HG       LYS  38   7.514   6.512  -6.170
  281   1HD   LYS  38          2HD       LYS  38   8.774   8.290  -6.942
  282   2HD   LYS  38          3HD       LYS  38   7.564   9.049  -5.957
  283   1HE   LYS  38          2HE       LYS  38  10.508   8.585  -5.295
  284   2HE   LYS  38          3HE       LYS  38   9.691  10.127  -5.604
  285   1HZ   LYS  38          1HZ       LYS  38   9.979   9.922  -3.294
  286   2HZ   LYS  38          2HZ       LYS  38   8.371   9.658  -3.560
  287   3HZ   LYS  38          3HZ       LYS  38   9.366   8.397  -3.256
  288    H    LYS  39           H        LYS  39   3.169   6.759  -3.818
  289    HA   LYS  39           HA       LYS  39   3.348   6.230  -0.947
  290   1HB   LYS  39          2HB       LYS  39   3.578   8.679  -1.130
  291   2HB   LYS  39          3HB       LYS  39   2.118   8.780  -2.098
  292   1HG   LYS  39          2HG       LYS  39   1.845   7.516   0.631
  293   2HG   LYS  39          3HG       LYS  39   2.311   9.215   0.574
  294   1HD   LYS  39          2HD       LYS  39   0.351   9.621  -1.012
  295   2HD   LYS  39          3HD       LYS  39  -0.210   7.984  -0.608
  296   1HE   LYS  39          2HE       LYS  39  -0.244   8.645   1.818
  297   2HE   LYS  39          3HE       LYS  39   0.336  10.260   1.376
  298   1HZ   LYS  39          1HZ       LYS  39  -1.973  10.352   1.650
  299   2HZ   LYS  39          2HZ       LYS  39  -1.724  10.471   0.025
  300   3HZ   LYS  39          3HZ       LYS  39  -2.253   9.056   0.709
  301    H    VAL  40           H        VAL  40   1.407   5.367  -0.115
  302    HA   VAL  40           HA       VAL  40  -0.731   4.771  -2.054
  303    HB   VAL  40           HB       VAL  40   0.395   2.891   0.064
  304   1HG1  VAL  40          1HG1      VAL  40  -1.522   2.448  -2.259
  305   2HG1  VAL  40          2HG1      VAL  40  -0.933   1.191  -1.147
  306   3HG1  VAL  40          3HG1      VAL  40  -1.953   2.512  -0.536
  307   1HG2  VAL  40          1HG2      VAL  40   0.888   2.845  -2.938
  308   2HG2  VAL  40          2HG2      VAL  40   2.097   3.155  -1.665
  309   3HG2  VAL  40          3HG2      VAL  40   1.341   1.567  -1.785
  310    H    CYS  41           H        CYS  41  -2.799   5.048  -1.073
  311    HA   CYS  41           HA       CYS  41  -2.895   4.888   1.883
  312   1HB   CYS  41          2HB       CYS  41  -4.312   6.981   0.187
  313   2HB   CYS  41          3HB       CYS  41  -5.033   6.291   1.640
  314    HG   CYS  41           HG       CYS  41  -4.195   8.284   2.620
  315    H    ILE  42           H        ILE  42  -4.719   3.765   2.610
  316    HA   ILE  42           HA       ILE  42  -6.059   2.287   0.438
  317    HB   ILE  42           HB       ILE  42  -5.090   0.899   2.910
  318   1HG1  ILE  42          2HG1      ILE  42  -3.600   1.186   0.272
  319   2HG1  ILE  42          3HG1      ILE  42  -3.074   1.796   1.853
  320   1HG2  ILE  42          1HG2      ILE  42  -6.864  -0.203   1.697
  321   2HG2  ILE  42          2HG2      ILE  42  -6.072   0.071   0.142
  322   3HG2  ILE  42          3HG2      ILE  42  -5.394  -1.085   1.271
  323   1HD1  ILE  42          1HD1      ILE  42  -3.165  -1.106   1.065
  324   2HD1  ILE  42          2HD1      ILE  42  -1.743  -0.097   1.266
  325   3HD1  ILE  42          3HD1      ILE  42  -2.692  -0.496   2.668
  326    H    GLU  43           H        GLU  43  -7.794   3.430   0.605
  327    HA   GLU  43           HA       GLU  43  -9.436   3.764   2.977
  328   1HB   GLU  43          2HB       GLU  43  -9.894   4.169  -0.015
  329   2HB   GLU  43          3HB       GLU  43 -11.091   4.525   1.234
  330   1HG   GLU  43          2HG       GLU  43 -10.011   6.580   0.662
  331   2HG   GLU  43          3HG       GLU  43  -9.520   6.131   2.295
  332    H    SER  44           H        SER  44  -9.820   1.711   3.809
  333    HA   SER  44           HA       SER  44 -11.870   0.111   2.535
  334   1HB   SER  44          2HB       SER  44  -9.073  -1.046   2.981
  335   2HB   SER  44          3HB       SER  44 -10.522  -2.007   2.629
  336    HG   SER  44           HG       SER  44 -10.313   0.009   0.858
  337    H    GLU  45           H        GLU  45 -13.176  -0.224   4.273
  338    HA   GLU  45           HA       GLU  45 -12.362   0.249   6.966
  339   1HB   GLU  45          2HB       GLU  45 -14.680  -0.710   7.452
  340   2HB   GLU  45          3HB       GLU  45 -14.564   0.792   6.539
  341   1HG   GLU  45          2HG       GLU  45 -15.089  -0.310   4.451
  342   2HG   GLU  45          3HG       GLU  45 -14.933  -1.913   5.205
  343    H    HIS  46           H        HIS  46 -10.518  -1.107   6.939
  344    HA   HIS  46           HA       HIS  46 -11.006  -3.988   7.597
  345   1HB   HIS  46          2HB       HIS  46 -10.532  -3.554   5.155
  346   2HB   HIS  46          3HB       HIS  46  -8.997  -2.816   5.630
  347    HD1  HIS  46           1HD      HIS  46 -10.693  -6.318   6.014
  348    HD2  HIS  46           2HD      HIS  46  -7.047  -4.369   5.349
  349    HE1  HIS  46           1HE      HIS  46  -8.942  -8.145   5.579
  350    H    SER  47           H        SER  47  -8.790  -4.984   8.312
  351    HA   SER  47           HA       SER  47  -7.920  -3.302  10.538
  352   1HB   SER  47          2HB       SER  47  -8.525  -5.761  10.779
  353   2HB   SER  47          3HB       SER  47  -6.986  -6.110   9.952
  354    HG   SER  47           HG       SER  47  -6.000  -5.660  11.729
  355    H    MET  48           H        MET  48  -5.987  -2.414  10.814
  356    HA   MET  48           HA       MET  48  -4.530  -1.829   8.422
  357   1HB   MET  48          2HB       MET  48  -3.347  -0.218   9.680
  358   2HB   MET  48          3HB       MET  48  -5.021  -0.209  10.237
  359   1HG   MET  48          2HG       MET  48  -3.816  -2.036  11.961
  360   2HG   MET  48          3HG       MET  48  -2.525  -0.856  11.668
  361   1HE   MET  48          1HE       MET  48  -4.267   2.362  13.168
  362   2HE   MET  48          2HE       MET  48  -2.750   1.672  12.545
  363   3HE   MET  48          3HE       MET  48  -4.161   1.835  11.473
  364    H    ASP  49           H        ASP  49  -3.943  -4.036  11.115
  365    HA   ASP  49           HA       ASP  49  -1.146  -4.422  10.832
  366   1HB   ASP  49          2HB       ASP  49  -1.514  -6.396  12.157
  367   2HB   ASP  49          3HB       ASP  49  -2.530  -5.104  12.799
  368    H    THR  50           H        THR  50  -3.940  -6.052   9.567
  369    HA   THR  50           HA       THR  50  -2.779  -8.132   8.122
  370    HB   THR  50           HB       THR  50  -5.386  -6.658   7.485
  371    HG1  THR  50           1HG      THR  50  -5.013  -7.374   9.815
  372   1HG2  THR  50          1HG2      THR  50  -6.156  -8.848   6.744
  373   2HG2  THR  50          2HG2      THR  50  -4.650  -8.472   5.881
  374   3HG2  THR  50          3HG2      THR  50  -4.631  -9.607   7.243
  375    H    LEU  51           H        LEU  51  -3.725  -4.813   7.046
  376    HA   LEU  51           HA       LEU  51  -2.636  -5.145   4.391
  377   1HB   LEU  51          2HB       LEU  51  -3.083  -2.615   6.037
  378   2HB   LEU  51          3HB       LEU  51  -2.527  -2.672   4.364
  379    HG   LEU  51           HG       LEU  51  -5.249  -3.092   5.481
  380   1HD1  LEU  51          1HD1      LEU  51  -5.827  -1.915   3.408
  381   2HD1  LEU  51          2HD1      LEU  51  -4.396  -1.102   4.072
  382   3HD1  LEU  51          3HD1      LEU  51  -4.202  -2.248   2.744
  383   1HD2  LEU  51          1HD2      LEU  51  -5.974  -4.359   3.443
  384   2HD2  LEU  51          2HD2      LEU  51  -4.284  -4.605   2.992
  385   3HD2  LEU  51          3HD2      LEU  51  -4.945  -5.341   4.478
  386    H    LEU  52           H        LEU  52  -1.237  -3.697   7.392
  387    HA   LEU  52           HA       LEU  52   1.171  -2.878   6.342
  388   1HB   LEU  52          2HB       LEU  52   0.352  -3.873   9.059
  389   2HB   LEU  52          3HB       LEU  52   2.046  -3.974   8.619
  390    HG   LEU  52           HG       LEU  52   1.834  -1.456   7.920
  391   1HD1  LEU  52          1HD1      LEU  52   0.152  -0.230   9.257
  392   2HD1  LEU  52          2HD1      LEU  52  -0.642  -1.331   8.126
  393   3HD1  LEU  52          3HD1      LEU  52  -0.513  -1.751   9.852
  394   1HD2  LEU  52          1HD2      LEU  52   1.805  -2.304  10.821
  395   2HD2  LEU  52          2HD2      LEU  52   3.216  -2.243   9.735
  396   3HD2  LEU  52          3HD2      LEU  52   2.384  -0.746  10.178
  397    H    ALA  53           H        ALA  53   0.599  -6.150   7.768
  398    HA   ALA  53           HA       ALA  53   3.100  -7.232   7.103
  399   1HB   ALA  53          1HB       ALA  53   0.379  -8.623   7.128
  400   2HB   ALA  53          2HB       ALA  53   1.961  -9.432   7.204
  401   3HB   ALA  53          3HB       ALA  53   1.443  -8.367   8.526
  402    H    THR  54           H        THR  54   0.104  -7.198   5.128
  403    HA   THR  54           HA       THR  54   1.187  -8.673   2.961
  404    HB   THR  54           HB       THR  54  -1.196  -6.773   3.101
  405    HG1  THR  54           1HG      THR  54  -1.594  -8.309   4.547
  406   1HG2  THR  54          1HG2      THR  54  -0.781  -7.283   0.794
  407   2HG2  THR  54          2HG2      THR  54  -0.476  -9.002   1.162
  408   3HG2  THR  54          3HG2      THR  54  -2.105  -8.319   1.349
  409    H    LEU  55           H        LEU  55   1.118  -5.153   3.593
  410    HA   LEU  55           HA       LEU  55   2.087  -4.529   0.962
  411   1HB   LEU  55          2HB       LEU  55   0.910  -3.191   3.200
  412   2HB   LEU  55          3HB       LEU  55   2.464  -2.389   2.846
  413    HG   LEU  55           HG       LEU  55  -0.050  -2.657   1.251
  414   1HD1  LEU  55          1HD1      LEU  55   1.715  -0.382   2.294
  415   2HD1  LEU  55          2HD1      LEU  55   0.374  -0.109   1.198
  416   3HD1  LEU  55          3HD1      LEU  55   0.072  -0.818   2.806
  417   1HD2  LEU  55          1HD2      LEU  55   2.700  -1.909   0.206
  418   2HD2  LEU  55          2HD2      LEU  55   1.513  -3.065  -0.469
  419   3HD2  LEU  55          3HD2      LEU  55   1.180  -1.332  -0.530
  420    H    LYS  56           H        LYS  56   3.592  -4.644   4.288
  421    HA   LYS  56           HA       LYS  56   6.230  -4.063   3.613
  422   1HB   LYS  56          2HB       LYS  56   4.887  -5.773   5.717
  423   2HB   LYS  56          3HB       LYS  56   6.609  -5.909   5.437
  424   1HG   LYS  56          2HG       LYS  56   6.548  -4.495   7.091
  425   2HG   LYS  56          3HG       LYS  56   6.839  -3.377   5.768
  426   1HD   LYS  56          2HD       LYS  56   4.131  -3.926   7.067
  427   2HD   LYS  56          3HD       LYS  56   5.246  -2.803   7.778
  428   1HE   LYS  56          2HE       LYS  56   4.485  -2.353   4.882
  429   2HE   LYS  56          3HE       LYS  56   3.320  -1.968   6.147
  430   1HZ   LYS  56          1HZ       LYS  56   5.988  -0.761   5.843
  431   2HZ   LYS  56          2HZ       LYS  56   4.559  -0.011   5.776
  432   3HZ   LYS  56          3HZ       LYS  56   5.072  -0.607   7.205
  433    H    LYS  57           H        LYS  57   4.457  -7.190   3.211
  434    HA   LYS  57           HA       LYS  57   6.708  -8.649   2.366
  435   1HB   LYS  57          2HB       LYS  57   3.761  -8.973   1.774
  436   2HB   LYS  57          3HB       LYS  57   4.972 -10.073   1.102
  437   1HG   LYS  57          2HG       LYS  57   5.848 -10.554   3.338
  438   2HG   LYS  57          3HG       LYS  57   4.637  -9.540   4.086
  439   1HD   LYS  57          2HD       LYS  57   4.108 -12.048   2.410
  440   2HD   LYS  57          3HD       LYS  57   4.149 -11.975   4.182
  441   1HE   LYS  57          2HE       LYS  57   2.295 -10.258   4.098
  442   2HE   LYS  57          3HE       LYS  57   2.167 -10.561   2.345
  443   1HZ   LYS  57          1HZ       LYS  57   1.597 -12.830   2.861
  444   2HZ   LYS  57          2HZ       LYS  57   1.716 -12.537   4.480
  445   3HZ   LYS  57          3HZ       LYS  57   0.559 -11.783   3.591
  446    H    THR  58           H        THR  58   5.394  -5.986   0.550
  447    HA   THR  58           HA       THR  58   6.377  -6.875  -2.043
  448    HB   THR  58           HB       THR  58   6.531  -4.503  -2.595
  449    HG1  THR  58           1HG      THR  58   5.679  -3.908   0.038
  450   1HG2  THR  58          1HG2      THR  58   4.175  -3.877  -2.177
  451   2HG2  THR  58          2HG2      THR  58   4.339  -5.560  -2.731
  452   3HG2  THR  58          3HG2      THR  58   4.055  -5.200  -1.010
  453    H    GLY  59           H        GLY  59   7.744  -5.363   0.836
  454   1HA   GLY  59          2HA       GLY  59   9.833  -4.889   1.478
  455   2HA   GLY  59          3HA       GLY  59  10.462  -6.126   0.360
  456    H    LYS  60           H        LYS  60   8.634  -3.067  -0.194
  457    HA   LYS  60           HA       LYS  60  11.078  -1.822  -1.396
  458   1HB   LYS  60          2HB       LYS  60   8.323  -0.614  -1.318
  459   2HB   LYS  60          3HB       LYS  60   9.696  -0.175  -2.310
  460   1HG   LYS  60          2HG       LYS  60   7.651  -2.308  -2.739
  461   2HG   LYS  60          3HG       LYS  60   8.288  -1.104  -3.853
  462   1HD   LYS  60          2HD       LYS  60   9.470  -3.783  -3.080
  463   2HD   LYS  60          3HD       LYS  60   8.962  -3.213  -4.654
  464   1HE   LYS  60          2HE       LYS  60  10.983  -2.397  -5.162
  465   2HE   LYS  60          3HE       LYS  60  11.074  -1.448  -3.691
  466   1HZ   LYS  60          1HZ       LYS  60  11.790  -3.538  -2.558
  467   2HZ   LYS  60          2HZ       LYS  60  11.809  -4.284  -4.015
  468   3HZ   LYS  60          3HZ       LYS  60  12.827  -3.022  -3.735
  469    H    THR  61           H        THR  61  10.885   0.691  -0.643
  470    HA   THR  61           HA       THR  61  11.253   0.722   2.152
  471    HB   THR  61           HB       THR  61  10.894   3.086   0.398
  472    HG1  THR  61           1HG      THR  61  12.735   2.592  -0.673
  473   1HG2  THR  61          1HG2      THR  61  12.824   3.981   1.675
  474   2HG2  THR  61          2HG2      THR  61  11.513   3.508   2.772
  475   3HG2  THR  61          3HG2      THR  61  12.935   2.456   2.579
  476    H    VAL  62           H        VAL  62   8.831  -0.279   2.157
  477    HA   VAL  62           HA       VAL  62   6.738   1.762   2.085
  478    HB   VAL  62           HB       VAL  62   6.174  -0.158   1.007
  479   1HG1  VAL  62          1HG1      VAL  62   5.921  -2.374   2.059
  480   2HG1  VAL  62          2HG1      VAL  62   7.602  -1.886   1.924
  481   3HG1  VAL  62          3HG1      VAL  62   6.785  -1.791   3.498
  482   1HG2  VAL  62          1HG2      VAL  62   4.092  -0.734   1.981
  483   2HG2  VAL  62          2HG2      VAL  62   4.646  -0.347   3.615
  484   3HG2  VAL  62          3HG2      VAL  62   4.405   0.948   2.443
  485    H    SER  63           H        SER  63   6.739   3.088   3.643
  486    HA   SER  63           HA       SER  63   7.234   2.542   6.469
  487   1HB   SER  63          2HB       SER  63   6.585   4.908   6.756
  488   2HB   SER  63          3HB       SER  63   7.675   4.759   5.373
  489    HG   SER  63           HG       SER  63   5.815   4.700   4.033
  490    H    TYR  64           H        TYR  64   5.329   3.651   7.942
  491    HA   TYR  64           HA       TYR  64   2.730   3.078   6.822
  492   1HB   TYR  64          2HB       TYR  64   3.080   1.131   8.299
  493   2HB   TYR  64          3HB       TYR  64   3.517   2.207   9.631
  494    HD1  TYR  64           HD1      TYR  64   1.810   2.092  11.272
  495    HD2  TYR  64           HD2      TYR  64   0.698   2.303   7.110
  496    HE1  TYR  64           HE1      TYR  64  -0.549   2.482  11.898
  497    HE2  TYR  64           HE2      TYR  64  -1.607   2.753   7.739
  498    HH   TYR  64           HH       TYR  64  -2.731   3.783   9.571
  499    H    LEU  65           H        LEU  65   1.492   4.813   7.058
  500    HA   LEU  65           HA       LEU  65   2.168   7.070   8.859
  501   1HB   LEU  65          2HB       LEU  65   0.974   7.007   6.104
  502   2HB   LEU  65          3HB       LEU  65   0.653   8.313   7.249
  503    HG   LEU  65           HG       LEU  65   3.332   8.281   7.524
  504   1HD1  LEU  65          1HD1      LEU  65   3.625   6.352   5.935
  505   2HD1  LEU  65          2HD1      LEU  65   2.886   7.364   4.668
  506   3HD1  LEU  65          3HD1      LEU  65   4.436   7.835   5.409
  507   1HD2  LEU  65          1HD2      LEU  65   3.384  10.040   5.806
  508   2HD2  LEU  65          2HD2      LEU  65   1.769   9.520   5.251
  509   3HD2  LEU  65          3HD2      LEU  65   1.986  10.163   6.900
  510    H    GLY  66           H        GLY  66  -0.407   8.202   8.922
  511   1HA   GLY  66          2HA       GLY  66  -1.310   6.712  11.184
  512   2HA   GLY  66          3HA       GLY  66  -2.026   8.160  10.467
  513    H    LEU  67           H        LEU  67  -4.063   7.328  10.990
  514    HA   LEU  67           HA       LEU  67  -5.238   5.466   9.076
  515   1HB   LEU  67          2HB       LEU  67  -4.809   4.198  11.247
  516   2HB   LEU  67          3HB       LEU  67  -5.723   5.452  12.086
  517    HG   LEU  67           HG       LEU  67  -7.555   4.745  10.184
  518   1HD1  LEU  67          1HD1      LEU  67  -7.609   2.473   9.702
  519   2HD1  LEU  67          2HD1      LEU  67  -5.932   2.938   9.393
  520   3HD1  LEU  67          3HD1      LEU  67  -6.346   2.073  10.888
  521   1HD2  LEU  67          1HD2      LEU  67  -7.237   3.348  12.838
  522   2HD2  LEU  67          2HD2      LEU  67  -8.020   4.927  12.544
  523   3HD2  LEU  67          3HD2      LEU  67  -8.699   3.469  11.824
  524    H    GLU  68           H        GLU  68  -7.394   6.152   8.629
  525    HA   GLU  68           HA       GLU  68  -8.803   7.919  10.356
  526   1HB   GLU  68          2HB       GLU  68  -7.383   9.569   9.019
  527   2HB   GLU  68          3HB       GLU  68  -8.196   9.007   7.572
  528   1HG   GLU  68          2HG       GLU  68 -10.404   9.739   8.780
  529   2HG   GLU  68          3HG       GLU  68  -9.348  10.487   9.979
  Start of MODEL   19
    1   1H    MET   1           H1       MET   1 -13.717   1.478   5.845
    2   2H    MET   1           H2       MET   1 -14.331   1.819   4.455
    3   3H    MET   1           H3       MET   1 -12.786   2.380   4.783
    4    HA   MET   1           HA       MET   1 -14.729   3.999   4.904
    5   1HB   MET   1          2HB       MET   1 -16.188   2.574   6.176
    6   2HB   MET   1          3HB       MET   1 -15.086   2.525   7.550
    7   1HG   MET   1          2HG       MET   1 -16.255   5.117   6.472
    8   2HG   MET   1          3HG       MET   1 -17.081   4.122   7.676
    9   1HE   MET   1          1HE       MET   1 -16.280   7.262   7.931
   10   2HE   MET   1          2HE       MET   1 -17.268   6.371   9.119
   11   3HE   MET   1          3HE       MET   1 -15.843   7.293   9.655
   12    HA   PRO   2           HA       PRO   2 -11.287   5.637   7.801
   13   1HB   PRO   2          2HB       PRO   2  -9.359   3.853   8.543
   14   2HB   PRO   2          3HB       PRO   2 -10.723   4.305   9.622
   15   1HG   PRO   2          2HG       PRO   2 -10.456   1.876   7.814
   16   2HG   PRO   2          3HG       PRO   2 -11.005   1.908   9.517
   17   1HD   PRO   2          2HD       PRO   2 -12.771   1.803   7.516
   18   2HD   PRO   2          3HD       PRO   2 -13.092   2.874   8.902
   19    H    LYS   3           H        LYS   3  -9.029   5.966   7.162
   20    HA   LYS   3           HA       LYS   3  -8.208   4.665   4.609
   21   1HB   LYS   3          2HB       LYS   3  -9.034   6.952   4.264
   22   2HB   LYS   3          3HB       LYS   3  -7.994   7.554   5.534
   23   1HG   LYS   3          2HG       LYS   3  -6.445   6.136   3.429
   24   2HG   LYS   3          3HG       LYS   3  -7.473   7.411   2.767
   25   1HD   LYS   3          2HD       LYS   3  -6.630   9.003   4.462
   26   2HD   LYS   3          3HD       LYS   3  -5.478   7.771   5.035
   27   1HE   LYS   3          2HE       LYS   3  -4.363   7.776   2.849
   28   2HE   LYS   3          3HE       LYS   3  -5.545   8.934   2.210
   29   1HZ   LYS   3          1HZ       LYS   3  -3.393   9.956   3.050
   30   2HZ   LYS   3          2HZ       LYS   3  -4.781  10.556   3.822
   31   3HZ   LYS   3          3HZ       LYS   3  -3.859   9.527   4.558
   32    H    HIS   4           H        HIS   4  -6.065   4.039   4.551
   33    HA   HIS   4           HA       HIS   4  -4.337   4.626   6.923
   34   1HB   HIS   4          2HB       HIS   4  -4.406   1.934   5.511
   35   2HB   HIS   4          3HB       HIS   4  -3.536   2.399   6.966
   36    HD1  HIS   4           1HD      HIS   4  -6.294   3.796   8.281
   37    HD2  HIS   4           2HD      HIS   4  -5.741  -0.062   6.704
   38    HE1  HIS   4           1HE      HIS   4  -7.954   2.233   9.480
   39    H    GLU   5           H        GLU   5  -2.642   5.771   6.185
   40    HA   GLU   5           HA       GLU   5  -1.966   5.602   3.301
   41   1HB   GLU   5          2HB       GLU   5  -2.518   7.815   4.253
   42   2HB   GLU   5          3HB       GLU   5  -1.153   7.706   5.345
   43   1HG   GLU   5          2HG       GLU   5   0.404   7.621   3.426
   44   2HG   GLU   5          3HG       GLU   5  -0.953   7.543   2.296
   45    H    PHE   6           H        PHE   6   0.054   5.078   2.631
   46    HA   PHE   6           HA       PHE   6   2.123   4.404   4.630
   47   1HB   PHE   6          2HB       PHE   6   1.462   2.677   2.236
   48   2HB   PHE   6          3HB       PHE   6   2.684   2.356   3.454
   49    HD1  PHE   6           1HD      PHE   6  -0.984   2.605   2.794
   50    HD2  PHE   6           2HD      PHE   6   2.030   1.354   5.602
   51    HE1  PHE   6           1HE      PHE   6  -2.708   1.467   4.128
   52    HE2  PHE   6           2HE      PHE   6   0.270   0.231   6.962
   53    HZ   PHE   6           HZ       PHE   6  -2.088   0.259   6.219
   54    H    SER   7           H        SER   7   4.114   4.996   4.055
   55    HA   SER   7           HA       SER   7   4.484   6.526   1.501
   56   1HB   SER   7          2HB       SER   7   5.137   7.811   3.382
   57   2HB   SER   7          3HB       SER   7   6.089   6.482   4.085
   58    HG   SER   7           HG       SER   7   7.370   8.027   2.915
   59    H    VAL   8           H        VAL   8   5.527   5.446  -0.082
   60    HA   VAL   8           HA       VAL   8   6.740   2.796   0.550
   61    HB   VAL   8           HB       VAL   8   4.519   3.269  -1.450
   62   1HG1  VAL   8          1HG1      VAL   8   6.112   1.554  -2.238
   63   2HG1  VAL   8          2HG1      VAL   8   6.043   0.738  -0.674
   64   3HG1  VAL   8          3HG1      VAL   8   4.609   0.789  -1.719
   65   1HG2  VAL   8          1HG2      VAL   8   3.521   3.217   0.738
   66   2HG2  VAL   8          2HG2      VAL   8   3.333   1.564   0.131
   67   3HG2  VAL   8          3HG2      VAL   8   4.614   1.937   1.282
   68    H    ASP   9           H        ASP   9   8.638   2.700  -0.449
   69    HA   ASP   9           HA       ASP   9   9.492   4.432  -2.548
   70   1HB   ASP   9          2HB       ASP   9  11.190   3.272  -1.366
   71   2HB   ASP   9          3HB       ASP   9  10.485   1.684  -1.755
   72    H    MET  10           H        MET  10   7.628   4.505  -3.925
   73    HA   MET  10           HA       MET  10   7.648   2.343  -5.953
   74   1HB   MET  10          2HB       MET  10   5.645   4.603  -5.654
   75   2HB   MET  10          3HB       MET  10   5.589   3.259  -6.819
   76   1HG   MET  10          2HG       MET  10   5.584   1.673  -4.831
   77   2HG   MET  10          3HG       MET  10   5.309   3.096  -3.814
   78   1HE   MET  10          1HE       MET  10   3.308   4.738  -5.933
   79   2HE   MET  10          2HE       MET  10   1.824   4.324  -5.050
   80   3HE   MET  10          3HE       MET  10   3.307   4.721  -4.151
   81    H    THR  11           H        THR  11   9.798   3.006  -6.545
   82    HA   THR  11           HA       THR  11  10.224   5.681  -7.523
   83    HB   THR  11           HB       THR  11  11.964   4.359  -6.447
   84    HG1  THR  11           1HG      THR  11  13.577   4.961  -7.884
   85   1HG2  THR  11          1HG2      THR  11  12.028   2.686  -9.002
   86   2HG2  THR  11          2HG2      THR  11  13.203   2.631  -7.676
   87   3HG2  THR  11          3HG2      THR  11  11.540   2.114  -7.390
   88    H    CYS  12           HN       CYS  12   9.136   2.667  -9.086
   89    HA   CYS  12           HA       CYS  12   8.680   4.241 -11.536
   90   1HB   CYS  12          2HB       CYS  12   9.602   2.593 -12.995
   91   2HB   CYS  12          3HB       CYS  12  10.847   2.979 -11.811
   92    H    GLY  13           H        GLY  13   7.173   3.095 -12.967
   93   1HA   GLY  13          2HA       GLY  13   4.749   2.395 -11.819
   94   2HA   GLY  13          3HA       GLY  13   5.264   1.933 -13.448
   95    H    GLY  14           H        GLY  14   7.527   0.287 -12.525
   96   1HA   GLY  14          2HA       GLY  14   6.283  -2.228 -12.297
   97   2HA   GLY  14          3HA       GLY  14   7.988  -1.846 -11.942
   98    H    CYS  15           HN       CYS  15   7.519   0.034  -9.783
   99    HA   CYS  15           HA       CYS  15   7.204  -1.842  -7.593
  100   1HB   CYS  15          2HB       CYS  15   7.203   1.174  -7.678
  101   2HB   CYS  15          3HB       CYS  15   7.301   0.169  -6.215
  102    H    ALA  16           H        ALA  16   5.180   0.762  -9.047
  103    HA   ALA  16           HA       ALA  16   2.993   0.535  -7.245
  104   1HB   ALA  16          1HB       ALA  16   3.104   2.418  -8.723
  105   2HB   ALA  16          2HB       ALA  16   3.046   1.379 -10.168
  106   3HB   ALA  16          3HB       ALA  16   1.639   1.495  -9.108
  107    H    GLU  17           H        GLU  17   3.574  -1.168 -10.380
  108    HA   GLU  17           HA       GLU  17   1.337  -2.806 -10.444
  109   1HB   GLU  17          2HB       GLU  17   2.971  -2.407 -12.207
  110   2HB   GLU  17          3HB       GLU  17   4.232  -3.243 -11.304
  111   1HG   GLU  17          2HG       GLU  17   1.676  -4.620 -12.211
  112   2HG   GLU  17          3HG       GLU  17   3.169  -4.421 -13.156
  113    H    ALA  18           H        ALA  18   4.577  -3.491  -8.945
  114    HA   ALA  18           HA       ALA  18   3.865  -6.002  -7.883
  115   1HB   ALA  18          1HB       ALA  18   6.194  -5.117  -8.002
  116   2HB   ALA  18          2HB       ALA  18   5.797  -3.952  -6.715
  117   3HB   ALA  18          3HB       ALA  18   5.781  -5.690  -6.366
  118    H    VAL  19           H        VAL  19   3.621  -2.753  -6.291
  119    HA   VAL  19           HA       VAL  19   2.670  -3.643  -3.811
  120    HB   VAL  19           HB       VAL  19   2.196  -1.106  -5.429
  121   1HG1  VAL  19          1HG1      VAL  19   1.522  -0.073  -3.339
  122   2HG1  VAL  19          2HG1      VAL  19   0.457  -1.444  -3.677
  123   3HG1  VAL  19          3HG1      VAL  19   1.744  -1.648  -2.490
  124   1HG2  VAL  19          1HG2      VAL  19   3.961  -1.311  -2.981
  125   2HG2  VAL  19          2HG2      VAL  19   4.622  -1.801  -4.541
  126   3HG2  VAL  19          3HG2      VAL  19   4.013  -0.157  -4.307
  127    H    SER  20           H        SER  20   0.940  -2.772  -6.830
  128    HA   SER  20           HA       SER  20  -1.704  -3.262  -5.874
  129   1HB   SER  20          2HB       SER  20  -0.368  -3.034  -8.565
  130   2HB   SER  20          3HB       SER  20  -1.988  -3.749  -8.496
  131    HG   SER  20           HG       SER  20  -1.320  -1.313  -7.233
  132    H    ARG  21           H        ARG  21   0.557  -5.508  -7.608
  133    HA   ARG  21           HA       ARG  21  -1.137  -7.722  -7.554
  134   1HB   ARG  21          2HB       ARG  21   0.497  -8.587  -8.670
  135   2HB   ARG  21          3HB       ARG  21   1.400  -7.118  -8.519
  136   1HG   ARG  21          2HG       ARG  21   2.686  -7.954  -6.676
  137   2HG   ARG  21          3HG       ARG  21   1.659  -9.376  -6.493
  138   1HD   ARG  21          2HD       ARG  21   2.758 -10.521  -8.076
  139   2HD   ARG  21          3HD       ARG  21   2.646  -9.226  -9.244
  140    HE   ARG  21           HE       ARG  21   4.812  -9.715  -7.254
  141   1HH1  ARG  21          2HH2      ARG  21   3.627  -7.616  -9.959
  142   2HH1  ARG  21          1HH2      ARG  21   5.123  -7.040 -10.380
  143   1HH2  ARG  21          2HH1      ARG  21   6.907  -8.850  -7.797
  144   2HH2  ARG  21          1HH1      ARG  21   7.044  -7.729  -9.120
  145    H    VAL  22           H        VAL  22   1.089  -6.493  -4.982
  146    HA   VAL  22           HA       VAL  22   0.894  -8.776  -3.310
  147    HB   VAL  22           HB       VAL  22   1.906  -5.918  -3.284
  148   1HG1  VAL  22          1HG1      VAL  22   0.948  -5.866  -1.263
  149   2HG1  VAL  22          2HG1      VAL  22   1.400  -7.558  -0.864
  150   3HG1  VAL  22          3HG1      VAL  22   2.646  -6.276  -0.944
  151   1HG2  VAL  22          1HG2      VAL  22   3.993  -6.932  -2.850
  152   2HG2  VAL  22          2HG2      VAL  22   3.243  -8.537  -2.601
  153   3HG2  VAL  22          3HG2      VAL  22   3.240  -7.782  -4.211
  154    H    LEU  23           H        LEU  23  -0.647  -5.530  -3.279
  155    HA   LEU  23           HA       LEU  23  -2.294  -6.053  -1.021
  156   1HB   LEU  23          2HB       LEU  23  -2.072  -3.960  -3.104
  157   2HB   LEU  23          3HB       LEU  23  -3.672  -4.090  -2.481
  158    HG   LEU  23           HG       LEU  23  -1.205  -3.931  -0.701
  159   1HD1  LEU  23          1HD1      LEU  23  -3.015  -1.678  -1.691
  160   2HD1  LEU  23          2HD1      LEU  23  -1.659  -1.530  -0.554
  161   3HD1  LEU  23          3HD1      LEU  23  -1.343  -1.966  -2.229
  162   1HD2  LEU  23          1HD2      LEU  23  -2.827  -3.352   1.027
  163   2HD2  LEU  23          2HD2      LEU  23  -4.109  -3.175  -0.200
  164   3HD2  LEU  23          3HD2      LEU  23  -3.488  -4.773   0.214
  165    H    ASN  24           H        ASN  24  -2.914  -6.476  -4.554
  166    HA   ASN  24           HA       ASN  24  -5.581  -7.328  -4.368
  167   1HB   ASN  24          2HB       ASN  24  -4.596  -7.071  -6.553
  168   2HB   ASN  24          3HB       ASN  24  -3.330  -8.260  -6.194
  169   1HD2  ASN  24          1HD2      ASN  24  -6.926  -8.191  -5.773
  170   2HD2  ASN  24          2HD2      ASN  24  -7.132  -9.808  -6.410
  171    H    LYS  25           H        LYS  25  -2.606  -9.130  -3.608
  172    HA   LYS  25           HA       LYS  25  -3.972 -11.626  -3.203
  173   1HB   LYS  25          2HB       LYS  25  -1.235 -10.695  -3.071
  174   2HB   LYS  25          3HB       LYS  25  -1.648 -11.505  -1.571
  175   1HG   LYS  25          2HG       LYS  25  -0.935 -13.292  -2.831
  176   2HG   LYS  25          3HG       LYS  25  -2.646 -13.398  -3.175
  177   1HD   LYS  25          2HD       LYS  25  -0.386 -12.243  -4.868
  178   2HD   LYS  25          3HD       LYS  25  -1.301 -13.702  -5.220
  179   1HE   LYS  25          2HE       LYS  25  -2.350 -10.832  -5.343
  180   2HE   LYS  25          3HE       LYS  25  -1.831 -11.784  -6.718
  181   1HZ   LYS  25          1HZ       LYS  25  -4.191 -11.695  -6.441
  182   2HZ   LYS  25          2HZ       LYS  25  -3.658 -13.258  -6.369
  183   3HZ   LYS  25          3HZ       LYS  25  -4.118 -12.466  -4.995
  184    H    LEU  26           H        LEU  26  -3.623  -8.857  -1.075
  185    HA   LEU  26           HA       LEU  26  -4.728 -10.155   1.289
  186   1HB   LEU  26          2HB       LEU  26  -3.731  -7.990   1.541
  187   2HB   LEU  26          3HB       LEU  26  -4.775  -7.262   0.337
  188    HG   LEU  26           HG       LEU  26  -5.351  -6.438   2.357
  189   1HD1  LEU  26          1HD1      LEU  26  -7.220  -7.187   0.783
  190   2HD1  LEU  26          2HD1      LEU  26  -7.596  -8.411   2.026
  191   3HD1  LEU  26          3HD1      LEU  26  -7.601  -6.695   2.447
  192   1HD2  LEU  26          1HD2      LEU  26  -4.416  -8.103   3.839
  193   2HD2  LEU  26          2HD2      LEU  26  -6.099  -7.696   4.262
  194   3HD2  LEU  26          3HD2      LEU  26  -5.733  -9.239   3.431
  195    H    GLY  27           H        GLY  27  -6.149  -8.336  -1.475
  196   1HA   GLY  27          2HA       GLY  27  -7.912  -9.609  -2.701
  197   2HA   GLY  27          3HA       GLY  27  -8.677  -9.950  -1.161
  198    H    GLY  28           H        GLY  28  -9.796  -8.342  -0.009
  199   1HA   GLY  28          2HA       GLY  28 -11.348  -6.820  -1.916
  200   2HA   GLY  28          3HA       GLY  28 -11.666  -7.045  -0.190
  201    H    VAL  29           H        VAL  29  -8.945  -5.581  -1.970
  202    HA   VAL  29           HA       VAL  29  -9.169  -3.133  -0.236
  203    HB   VAL  29           HB       VAL  29  -6.723  -2.856  -0.808
  204   1HG1  VAL  29          1HG1      VAL  29  -7.259  -3.564   1.359
  205   2HG1  VAL  29          2HG1      VAL  29  -7.820  -5.143   0.811
  206   3HG1  VAL  29          3HG1      VAL  29  -6.082  -4.786   0.809
  207   1HG2  VAL  29          1HG2      VAL  29  -5.462  -4.789  -1.488
  208   2HG2  VAL  29          2HG2      VAL  29  -6.900  -5.781  -1.672
  209   3HG2  VAL  29          3HG2      VAL  29  -6.618  -4.408  -2.773
  210    H    LYS  30           H        LYS  30  -8.794  -1.056  -1.128
  211    HA   LYS  30           HA       LYS  30  -8.069  -0.906  -3.882
  212   1HB   LYS  30          2HB       LYS  30 -10.795  -0.586  -3.375
  213   2HB   LYS  30          3HB       LYS  30 -10.213   1.071  -3.282
  214   1HG   LYS  30          2HG       LYS  30  -9.829  -0.887  -5.607
  215   2HG   LYS  30          3HG       LYS  30 -11.014   0.406  -5.495
  216   1HD   LYS  30          2HD       LYS  30  -9.580   1.663  -6.640
  217   2HD   LYS  30          3HD       LYS  30  -8.721   1.877  -5.124
  218   1HE   LYS  30          2HE       LYS  30  -7.260  -0.142  -5.801
  219   2HE   LYS  30          3HE       LYS  30  -8.170  -0.213  -7.308
  220   1HZ   LYS  30          1HZ       LYS  30  -6.506   2.062  -6.417
  221   2HZ   LYS  30          2HZ       LYS  30  -6.112   0.975  -7.574
  222   3HZ   LYS  30          3HZ       LYS  30  -7.363   2.013  -7.819
  223    H    TYR  31           H        TYR  31  -6.894   1.049  -4.190
  224    HA   TYR  31           HA       TYR  31  -6.554   2.845  -1.968
  225   1HB   TYR  31          2HB       TYR  31  -4.263   2.315  -1.569
  226   2HB   TYR  31          3HB       TYR  31  -5.097   0.765  -1.529
  227    HD1  TYR  31           HD1      TYR  31  -2.272   2.439  -2.637
  228    HD2  TYR  31           HD2      TYR  31  -5.083  -0.592  -3.856
  229    HE1  TYR  31           HE1      TYR  31  -0.485   1.261  -3.849
  230    HE2  TYR  31           HE2      TYR  31  -3.363  -1.560  -5.360
  231    HH   TYR  31           HH       TYR  31  -0.040  -0.206  -5.540
  232    H    ASP  32           H        ASP  32  -5.121   4.645  -2.619
  233    HA   ASP  32           HA       ASP  32  -4.936   4.928  -5.586
  234   1HB   ASP  32          2HB       ASP  32  -6.185   6.747  -4.449
  235   2HB   ASP  32          3HB       ASP  32  -4.727   7.138  -3.516
  236    H    ILE  33           H        ILE  33  -2.983   5.782  -6.414
  237    HA   ILE  33           HA       ILE  33  -0.538   4.678  -5.083
  238    HB   ILE  33           HB       ILE  33  -1.784   4.286  -7.818
  239   1HG1  ILE  33          2HG1      ILE  33  -0.595   2.264  -5.886
  240   2HG1  ILE  33          3HG1      ILE  33  -2.311   2.757  -5.821
  241   1HG2  ILE  33          1HG2      ILE  33   1.042   3.433  -7.097
  242   2HG2  ILE  33          2HG2      ILE  33   0.156   3.097  -8.598
  243   3HG2  ILE  33          3HG2      ILE  33   0.621   4.746  -8.221
  244   1HD1  ILE  33          1HD1      ILE  33  -2.504   2.126  -8.299
  245   2HD1  ILE  33          2HD1      ILE  33  -0.993   1.212  -8.063
  246   3HD1  ILE  33          3HD1      ILE  33  -2.447   0.820  -7.127
  247    H    ASP  34           H        ASP  34   0.431   6.629  -4.639
  248    HA   ASP  34           HA       ASP  34   0.691   8.597  -6.880
  249   1HB   ASP  34          2HB       ASP  34   0.051   9.485  -4.649
  250   2HB   ASP  34          3HB       ASP  34   1.635   8.930  -4.059
  251    H    LEU  35           H        LEU  35   2.157   7.828  -8.201
  252    HA   LEU  35           HA       LEU  35   4.551   6.351  -7.397
  253   1HB   LEU  35          2HB       LEU  35   3.368   7.355  -9.971
  254   2HB   LEU  35          3HB       LEU  35   5.107   7.072  -9.913
  255    HG   LEU  35           HG       LEU  35   3.202   4.939  -8.903
  256   1HD1  LEU  35          1HD1      LEU  35   3.976   5.329 -11.825
  257   2HD1  LEU  35          2HD1      LEU  35   3.102   3.940 -11.145
  258   3HD1  LEU  35          3HD1      LEU  35   2.347   5.543 -11.141
  259   1HD2  LEU  35          1HD2      LEU  35   5.018   3.419  -9.639
  260   2HD2  LEU  35          2HD2      LEU  35   5.898   4.782 -10.347
  261   3HD2  LEU  35          3HD2      LEU  35   5.689   4.681  -8.595
  262    HA   PRO  36           HA       PRO  36   6.871  10.333  -8.670
  263   1HB   PRO  36          2HB       PRO  36   5.551  12.789  -8.518
  264   2HB   PRO  36          3HB       PRO  36   5.825  11.825  -9.996
  265   1HG   PRO  36          2HG       PRO  36   3.368  11.865  -8.243
  266   2HG   PRO  36          3HG       PRO  36   3.444  11.962 -10.026
  267   1HD   PRO  36          2HD       PRO  36   2.884   9.661  -8.827
  268   2HD   PRO  36          3HD       PRO  36   4.030   9.650 -10.197
  269    H    ASN  37           H        ASN  37   4.385  10.500  -6.151
  270    HA   ASN  37           HA       ASN  37   6.412  11.624  -4.242
  271   1HB   ASN  37          2HB       ASN  37   3.427  11.483  -3.824
  272   2HB   ASN  37          3HB       ASN  37   4.621  12.274  -2.827
  273   1HD2  ASN  37          1HD2      ASN  37   2.398  12.832  -5.309
  274   2HD2  ASN  37          2HD2      ASN  37   3.035  14.389  -5.850
  275    H    LYS  38           H        LYS  38   5.639   8.577  -5.170
  276    HA   LYS  38           HA       LYS  38   5.855   6.540  -4.104
  277   1HB   LYS  38          2HB       LYS  38   7.748   8.414  -2.615
  278   2HB   LYS  38          3HB       LYS  38   7.690   6.731  -2.216
  279   1HG   LYS  38          2HG       LYS  38   9.014   6.176  -3.890
  280   2HG   LYS  38          3HG       LYS  38   7.883   6.817  -5.074
  281   1HD   LYS  38          2HD       LYS  38  10.013   8.452  -3.610
  282   2HD   LYS  38          3HD       LYS  38  10.201   7.720  -5.221
  283   1HE   LYS  38          2HE       LYS  38   8.155   8.951  -5.986
  284   2HE   LYS  38          3HE       LYS  38   8.106   9.797  -4.428
  285   1HZ   LYS  38          1HZ       LYS  38  10.235   9.999  -6.433
  286   2HZ   LYS  38          2HZ       LYS  38   9.016  11.069  -6.107
  287   3HZ   LYS  38          3HZ       LYS  38  10.195  10.798  -4.976
  288    H    LYS  39           H        LYS  39   3.397   7.046  -3.507
  289    HA   LYS  39           HA       LYS  39   3.172   6.453  -0.634
  290   1HB   LYS  39          2HB       LYS  39   2.231   9.005  -1.970
  291   2HB   LYS  39          3HB       LYS  39   1.173   8.246  -0.786
  292   1HG   LYS  39          2HG       LYS  39   3.082   8.266   0.853
  293   2HG   LYS  39          3HG       LYS  39   4.010   9.236  -0.320
  294   1HD   LYS  39          2HD       LYS  39   2.139  10.917  -0.327
  295   2HD   LYS  39          3HD       LYS  39   1.254   9.899   0.829
  296   1HE   LYS  39          2HE       LYS  39   3.275  10.130   2.398
  297   2HE   LYS  39          3HE       LYS  39   3.856  11.413   1.315
  298   1HZ   LYS  39          1HZ       LYS  39   1.688  12.521   1.761
  299   2HZ   LYS  39          2HZ       LYS  39   1.307  11.290   2.786
  300   3HZ   LYS  39          3HZ       LYS  39   2.553  12.281   3.153
  301    H    VAL  40           H        VAL  40   1.261   5.616   0.016
  302    HA   VAL  40           HA       VAL  40  -0.480   4.348  -2.057
  303    HB   VAL  40           HB       VAL  40   1.248   3.259   0.178
  304   1HG1  VAL  40          1HG1      VAL  40   0.368   1.086   0.009
  305   2HG1  VAL  40          2HG1      VAL  40  -0.981   2.148   0.400
  306   3HG1  VAL  40          3HG1      VAL  40  -0.778   1.531  -1.251
  307   1HG2  VAL  40          1HG2      VAL  40   2.371   3.436  -1.915
  308   2HG2  VAL  40          2HG2      VAL  40   2.021   1.721  -1.651
  309   3HG2  VAL  40          3HG2      VAL  40   1.032   2.664  -2.785
  310    H    CYS  41           H        CYS  41  -2.505   5.096  -1.549
  311    HA   CYS  41           HA       CYS  41  -3.241   5.573   1.354
  312   1HB   CYS  41          2HB       CYS  41  -4.195   6.800  -1.266
  313   2HB   CYS  41          3HB       CYS  41  -5.050   7.007   0.272
  314    HG   CYS  41           HG       CYS  41  -3.660   9.147  -0.401
  315    H    ILE  42           H        ILE  42  -4.069   3.646   2.047
  316    HA   ILE  42           HA       ILE  42  -5.821   2.263   0.132
  317    HB   ILE  42           HB       ILE  42  -4.861   1.111   2.764
  318   1HG1  ILE  42          2HG1      ILE  42  -3.419   0.967   0.089
  319   2HG1  ILE  42          3HG1      ILE  42  -2.888   1.765   1.575
  320   1HG2  ILE  42          1HG2      ILE  42  -5.341  -1.048   1.325
  321   2HG2  ILE  42          2HG2      ILE  42  -6.718  -0.074   1.848
  322   3HG2  ILE  42          3HG2      ILE  42  -6.108   0.029   0.200
  323   1HD1  ILE  42          1HD1      ILE  42  -3.168  -1.220   1.258
  324   2HD1  ILE  42          2HD1      ILE  42  -1.674  -0.302   1.220
  325   3HD1  ILE  42          3HD1      ILE  42  -2.585  -0.385   2.707
  326    H    GLU  43           H        GLU  43  -7.972   1.971   0.437
  327    HA   GLU  43           HA       GLU  43  -9.200   2.757   3.043
  328   1HB   GLU  43          2HB       GLU  43  -9.809   3.854   0.278
  329   2HB   GLU  43          3HB       GLU  43 -11.060   3.758   1.522
  330   1HG   GLU  43          2HG       GLU  43  -9.839   5.140   3.044
  331   2HG   GLU  43          3HG       GLU  43  -8.400   5.140   2.001
  332    H    SER  44           H        SER  44  -9.898   0.780   3.683
  333    HA   SER  44           HA       SER  44 -12.181  -0.201   2.322
  334   1HB   SER  44          2HB       SER  44 -10.366  -1.483   1.086
  335   2HB   SER  44          3HB       SER  44  -9.930  -2.233   2.628
  336    HG   SER  44           HG       SER  44 -11.558  -3.396   1.305
  337    H    GLU  45           H        GLU  45 -12.865  -2.286   3.632
  338    HA   GLU  45           HA       GLU  45 -12.712  -1.538   6.510
  339   1HB   GLU  45          2HB       GLU  45 -14.387  -3.796   5.406
  340   2HB   GLU  45          3HB       GLU  45 -14.618  -2.802   6.849
  341   1HG   GLU  45          2HG       GLU  45 -15.171  -2.127   3.946
  342   2HG   GLU  45          3HG       GLU  45 -16.282  -2.078   5.315
  343    H    HIS  46           H        HIS  46 -10.315  -2.121   5.866
  344    HA   HIS  46           HA       HIS  46  -9.779  -4.836   6.989
  345   1HB   HIS  46          2HB       HIS  46  -8.607  -3.598   4.477
  346   2HB   HIS  46          3HB       HIS  46  -7.742  -4.814   5.423
  347    HD1  HIS  46           1HD      HIS  46  -8.930  -7.289   5.583
  348    HD2  HIS  46           2HD      HIS  46 -10.136  -4.587   2.609
  349    HE1  HIS  46           1HE      HIS  46  -9.888  -8.678   3.678
  350    H    SER  47           H        SER  47  -8.501  -4.583   8.770
  351    HA   SER  47           HA       SER  47  -7.692  -2.064   9.707
  352   1HB   SER  47          2HB       SER  47  -6.335  -3.689  11.264
  353   2HB   SER  47          3HB       SER  47  -8.099  -3.605  11.328
  354    HG   SER  47           HG       SER  47  -6.545  -5.587  10.037
  355    H    MET  48           H        MET  48  -5.930  -0.916   9.541
  356    HA   MET  48           HA       MET  48  -3.897  -0.914   7.840
  357   1HB   MET  48          2HB       MET  48  -2.570   0.318   9.474
  358   2HB   MET  48          3HB       MET  48  -4.269   0.814   9.495
  359   1HG   MET  48          2HG       MET  48  -4.581  -0.830  11.421
  360   2HG   MET  48          3HG       MET  48  -2.813  -0.902  11.528
  361   1HE   MET  48          1HE       MET  48  -2.851  -0.291  14.017
  362   2HE   MET  48          2HE       MET  48  -3.744   1.095  14.691
  363   3HE   MET  48          3HE       MET  48  -4.627  -0.270  13.962
  364    H    ASP  49           H        ASP  49  -3.827  -2.897  10.832
  365    HA   ASP  49           HA       ASP  49  -1.239  -3.866  10.671
  366   1HB   ASP  49          2HB       ASP  49  -3.647  -5.484  11.632
  367   2HB   ASP  49          3HB       ASP  49  -1.988  -5.519  12.234
  368    H    THR  50           H        THR  50  -4.229  -5.488   9.550
  369    HA   THR  50           HA       THR  50  -3.106  -7.674   8.264
  370    HB   THR  50           HB       THR  50  -5.666  -6.299   7.357
  371    HG1  THR  50           1HG      THR  50  -6.554  -7.416   9.268
  372   1HG2  THR  50          1HG2      THR  50  -4.977  -8.504   6.349
  373   2HG2  THR  50          2HG2      THR  50  -4.999  -9.218   7.973
  374   3HG2  THR  50          3HG2      THR  50  -6.500  -8.601   7.251
  375    H    LEU  51           H        LEU  51  -4.009  -4.443   6.978
  376    HA   LEU  51           HA       LEU  51  -3.300  -4.919   4.240
  377   1HB   LEU  51          2HB       LEU  51  -3.116  -2.340   5.867
  378   2HB   LEU  51          3HB       LEU  51  -2.877  -2.504   4.130
  379    HG   LEU  51           HG       LEU  51  -5.448  -2.771   5.720
  380   1HD1  LEU  51          1HD1      LEU  51  -4.529  -1.311   3.232
  381   2HD1  LEU  51          2HD1      LEU  51  -6.111  -1.067   4.021
  382   3HD1  LEU  51          3HD1      LEU  51  -4.594  -0.571   4.823
  383   1HD2  LEU  51          1HD2      LEU  51  -5.560  -4.710   4.233
  384   2HD2  LEU  51          2HD2      LEU  51  -6.534  -3.409   3.543
  385   3HD2  LEU  51          3HD2      LEU  51  -4.932  -3.748   2.869
  386    H    LEU  52           H        LEU  52  -1.389  -3.290   6.781
  387    HA   LEU  52           HA       LEU  52   0.937  -2.864   5.485
  388   1HB   LEU  52          2HB       LEU  52   0.219  -2.069   7.665
  389   2HB   LEU  52          3HB       LEU  52   0.604  -3.661   8.345
  390    HG   LEU  52           HG       LEU  52   2.968  -3.303   7.998
  391   1HD1  LEU  52          1HD1      LEU  52   3.724  -1.079   6.887
  392   2HD1  LEU  52          2HD1      LEU  52   3.103  -2.318   5.782
  393   3HD1  LEU  52          3HD1      LEU  52   2.075  -0.967   6.262
  394   1HD2  LEU  52          1HD2      LEU  52   3.251  -1.158   9.250
  395   2HD2  LEU  52          2HD2      LEU  52   1.573  -0.730   8.819
  396   3HD2  LEU  52          3HD2      LEU  52   1.887  -2.119   9.876
  397    H    ALA  53           H        ALA  53   0.067  -5.783   7.421
  398    HA   ALA  53           HA       ALA  53   2.455  -7.247   7.079
  399   1HB   ALA  53          1HB       ALA  53   0.640  -7.874   8.641
  400   2HB   ALA  53          2HB       ALA  53  -0.419  -8.274   7.271
  401   3HB   ALA  53          3HB       ALA  53   1.052  -9.227   7.568
  402    H    THR  54           H        THR  54  -0.396  -6.998   4.841
  403    HA   THR  54           HA       THR  54   0.890  -8.829   2.966
  404    HB   THR  54           HB       THR  54  -1.614  -7.145   2.875
  405    HG1  THR  54           1HG      THR  54  -1.880  -9.080   3.796
  406   1HG2  THR  54          1HG2      THR  54  -0.221  -8.571   0.572
  407   2HG2  THR  54          2HG2      THR  54  -1.922  -8.161   0.552
  408   3HG2  THR  54          3HG2      THR  54  -0.727  -6.871   0.671
  409    H    LEU  55           H        LEU  55   0.647  -5.287   3.343
  410    HA   LEU  55           HA       LEU  55   1.695  -4.604   0.796
  411   1HB   LEU  55          2HB       LEU  55   1.211  -3.354   3.411
  412   2HB   LEU  55          3HB       LEU  55   2.549  -2.611   2.521
  413    HG   LEU  55           HG       LEU  55  -0.303  -2.739   1.593
  414   1HD1  LEU  55          1HD1      LEU  55   0.238  -0.151   2.005
  415   2HD1  LEU  55          2HD1      LEU  55  -0.136  -1.195   3.393
  416   3HD1  LEU  55          3HD1      LEU  55   1.528  -0.741   3.008
  417   1HD2  LEU  55          1HD2      LEU  55   0.527  -1.165  -0.141
  418   2HD2  LEU  55          2HD2      LEU  55   2.197  -1.433   0.397
  419   3HD2  LEU  55          3HD2      LEU  55   1.256  -2.756  -0.335
  420    H    LYS  56           H        LYS  56   3.331  -5.288   3.919
  421    HA   LYS  56           HA       LYS  56   5.981  -4.871   3.272
  422   1HB   LYS  56          2HB       LYS  56   4.411  -6.432   5.234
  423   2HB   LYS  56          3HB       LYS  56   5.908  -7.225   4.826
  424   1HG   LYS  56          2HG       LYS  56   6.233  -5.843   6.685
  425   2HG   LYS  56          3HG       LYS  56   7.195  -5.190   5.344
  426   1HD   LYS  56          2HD       LYS  56   5.319  -3.437   5.038
  427   2HD   LYS  56          3HD       LYS  56   4.519  -4.191   6.415
  428   1HE   LYS  56          2HE       LYS  56   5.610  -2.325   7.374
  429   2HE   LYS  56          3HE       LYS  56   6.609  -3.710   7.805
  430   1HZ   LYS  56          1HZ       LYS  56   7.999  -1.981   7.089
  431   2HZ   LYS  56          2HZ       LYS  56   8.015  -3.051   5.843
  432   3HZ   LYS  56          3HZ       LYS  56   7.144  -1.647   5.752
  433    H    LYS  57           H        LYS  57   3.946  -7.424   1.924
  434    HA   LYS  57           HA       LYS  57   6.060  -9.208   1.184
  435   1HB   LYS  57          2HB       LYS  57   3.372  -8.746  -0.127
  436   2HB   LYS  57          3HB       LYS  57   4.432 -10.119  -0.431
  437   1HG   LYS  57          2HG       LYS  57   4.155 -11.003   1.776
  438   2HG   LYS  57          3HG       LYS  57   3.403  -9.518   2.373
  439   1HD   LYS  57          2HD       LYS  57   1.522  -9.829   0.814
  440   2HD   LYS  57          3HD       LYS  57   2.189 -11.372   0.277
  441   1HE   LYS  57          2HE       LYS  57   1.761 -12.436   2.340
  442   2HE   LYS  57          3HE       LYS  57   1.680 -10.928   3.248
  443   1HZ   LYS  57          1HZ       LYS  57  -0.368 -11.747   1.288
  444   2HZ   LYS  57          2HZ       LYS  57  -0.473 -11.979   2.907
  445   3HZ   LYS  57          3HZ       LYS  57  -0.465 -10.461   2.318
  446    H    THR  58           H        THR  58   5.209  -6.051  -0.092
  447    HA   THR  58           HA       THR  58   6.521  -6.156  -2.675
  448    HB   THR  58           HB       THR  58   6.992  -3.781  -2.240
  449    HG1  THR  58           1HG      THR  58   5.662  -4.045   0.228
  450   1HG2  THR  58          1HG2      THR  58   4.843  -4.290  -3.141
  451   2HG2  THR  58          2HG2      THR  58   4.201  -4.731  -1.547
  452   3HG2  THR  58          3HG2      THR  58   4.642  -3.053  -1.870
  453    H    GLY  59           H        GLY  59   7.631  -5.909   0.656
  454   1HA   GLY  59          2HA       GLY  59   9.544  -6.119   1.661
  455   2HA   GLY  59          3HA       GLY  59  10.186  -7.072   0.294
  456    H    LYS  60           H        LYS  60   9.061  -3.667   0.527
  457    HA   LYS  60           HA       LYS  60  11.789  -2.649  -0.129
  458   1HB   LYS  60          2HB       LYS  60   9.133  -1.463  -0.988
  459   2HB   LYS  60          3HB       LYS  60  10.750  -1.029  -1.526
  460   1HG   LYS  60          2HG       LYS  60  10.939  -3.442  -2.488
  461   2HG   LYS  60          3HG       LYS  60   9.216  -3.567  -2.144
  462   1HD   LYS  60          2HD       LYS  60   9.314  -2.989  -4.410
  463   2HD   LYS  60          3HD       LYS  60   8.819  -1.525  -3.553
  464   1HE   LYS  60          2HE       LYS  60  11.642  -1.353  -3.524
  465   2HE   LYS  60          3HE       LYS  60  11.338  -2.089  -5.092
  466   1HZ   LYS  60          1HZ       LYS  60   9.887   0.335  -4.245
  467   2HZ   LYS  60          2HZ       LYS  60  11.399   0.458  -4.729
  468   3HZ   LYS  60          3HZ       LYS  60  10.233  -0.141  -5.776
  469    H    THR  61           H        THR  61  11.547  -0.076   0.250
  470    HA   THR  61           HA       THR  61  10.965   0.407   2.963
  471    HB   THR  61           HB       THR  61  11.215   2.435   0.815
  472    HG1  THR  61           1HG      THR  61  13.469   2.132   0.962
  473   1HG2  THR  61          1HG2      THR  61  10.856   3.285   3.125
  474   2HG2  THR  61          2HG2      THR  61  12.273   2.364   3.677
  475   3HG2  THR  61          3HG2      THR  61  12.472   3.709   2.535
  476    H    VAL  62           H        VAL  62   8.782  -0.545   2.836
  477    HA   VAL  62           HA       VAL  62   6.699   1.553   2.372
  478    HB   VAL  62           HB       VAL  62   5.880  -0.296   1.302
  479   1HG1  VAL  62          1HG1      VAL  62   6.777  -2.071   3.586
  480   2HG1  VAL  62          2HG1      VAL  62   5.694  -2.565   2.271
  481   3HG1  VAL  62          3HG1      VAL  62   7.353  -2.081   1.903
  482   1HG2  VAL  62          1HG2      VAL  62   3.902  -0.823   2.429
  483   2HG2  VAL  62          2HG2      VAL  62   4.650  -0.748   4.036
  484   3HG2  VAL  62          3HG2      VAL  62   4.355   0.738   3.121
  485    H    SER  63           H        SER  63   6.314   2.794   4.047
  486    HA   SER  63           HA       SER  63   6.362   1.632   6.793
  487   1HB   SER  63          2HB       SER  63   8.345   3.135   6.359
  488   2HB   SER  63          3HB       SER  63   7.198   4.466   6.077
  489    HG   SER  63           HG       SER  63   7.874   4.365   8.277
  490    H    TYR  64           H        TYR  64   4.956   2.774   8.242
  491    HA   TYR  64           HA       TYR  64   2.306   3.224   6.976
  492   1HB   TYR  64          2HB       TYR  64   2.294   1.418   8.478
  493   2HB   TYR  64          3HB       TYR  64   3.341   2.225   9.634
  494    HD1  TYR  64           HD1      TYR  64  -0.176   1.944   8.475
  495    HD2  TYR  64           HD2      TYR  64   2.525   3.802  11.276
  496    HE1  TYR  64           HE1      TYR  64  -2.091   2.625   9.868
  497    HE2  TYR  64           HE2      TYR  64   0.593   4.503  12.660
  498    HH   TYR  64           HH       TYR  64  -2.772   3.808  11.702
  499    H    LEU  65           H        LEU  65   1.162   5.080   7.228
  500    HA   LEU  65           HA       LEU  65   2.149   7.169   9.113
  501   1HB   LEU  65          2HB       LEU  65   0.674   7.466   6.503
  502   2HB   LEU  65          3HB       LEU  65   0.801   8.716   7.746
  503    HG   LEU  65           HG       LEU  65   3.420   8.149   7.608
  504   1HD1  LEU  65          1HD1      LEU  65   4.098   7.685   5.317
  505   2HD1  LEU  65          2HD1      LEU  65   3.204   6.316   5.967
  506   3HD1  LEU  65          3HD1      LEU  65   2.401   7.424   4.828
  507   1HD2  LEU  65          1HD2      LEU  65   3.632   9.963   5.970
  508   2HD2  LEU  65          2HD2      LEU  65   1.888   9.825   5.609
  509   3HD2  LEU  65          3HD2      LEU  65   2.430  10.300   7.242
  510    H    GLY  66           H        GLY  66   0.129   8.419   9.924
  511   1HA   GLY  66          2HA       GLY  66  -1.045   6.678  11.688
  512   2HA   GLY  66          3HA       GLY  66  -1.597   8.330  11.396
  513    H    LEU  67           H        LEU  67  -3.363   6.598  12.301
  514    HA   LEU  67           HA       LEU  67  -5.057   5.397  10.270
  515   1HB   LEU  67          2HB       LEU  67  -4.904   4.608  12.595
  516   2HB   LEU  67          3HB       LEU  67  -5.376   6.186  13.214
  517    HG   LEU  67           HG       LEU  67  -7.068   4.434  13.364
  518   1HD1  LEU  67          1HD1      LEU  67  -7.700   6.875  13.294
  519   2HD1  LEU  67          2HD1      LEU  67  -8.161   6.644  11.592
  520   3HD1  LEU  67          3HD1      LEU  67  -8.977   5.728  12.855
  521   1HD2  LEU  67          1HD2      LEU  67  -8.319   3.656  11.439
  522   2HD2  LEU  67          2HD2      LEU  67  -7.332   4.637  10.341
  523   3HD2  LEU  67          3HD2      LEU  67  -6.594   3.281  11.234
  524    H    GLU  68           H        GLU  68  -6.681   6.533   9.105
  525    HA   GLU  68           HA       GLU  68  -7.127   9.392   9.727
  526   1HB   GLU  68          2HB       GLU  68  -5.124   8.744   8.170
  527   2HB   GLU  68          3HB       GLU  68  -6.372   8.240   7.034
  528   1HG   GLU  68          2HG       GLU  68  -7.223  10.592   7.008
  529   2HG   GLU  68          3HG       GLU  68  -5.946  11.052   8.153
  Start of MODEL   20
    1   1H    MET   1           H1       MET   1 -11.321   7.949   7.750
    2   2H    MET   1           H2       MET   1 -12.623   8.853   7.850
    3   3H    MET   1           H3       MET   1 -12.275   7.692   9.007
    4    HA   MET   1           HA       MET   1 -13.995   6.758   7.549
    5   1HB   MET   1          2HB       MET   1 -11.706   6.939   5.539
    6   2HB   MET   1          3HB       MET   1 -13.218   6.066   5.281
    7   1HG   MET   1          2HG       MET   1 -13.376   8.057   4.081
    8   2HG   MET   1          3HG       MET   1 -14.529   8.096   5.419
    9   1HE   MET   1          1HE       MET   1 -14.954  10.663   4.973
   10   2HE   MET   1          2HE       MET   1 -13.645  11.864   4.862
   11   3HE   MET   1          3HE       MET   1 -13.800  10.604   3.615
   12    HA   PRO   2           HA       PRO   2 -10.511   3.675   8.428
   13   1HB   PRO   2          2HB       PRO   2 -11.154   1.271   7.436
   14   2HB   PRO   2          3HB       PRO   2 -12.232   2.085   8.599
   15   1HG   PRO   2          2HG       PRO   2 -12.624   1.755   5.648
   16   2HG   PRO   2          3HG       PRO   2 -13.840   1.864   6.946
   17   1HD   PRO   2          2HD       PRO   2 -12.754   3.938   5.241
   18   2HD   PRO   2          3HD       PRO   2 -14.034   4.128   6.482
   19    H    LYS   3           H        LYS   3  -9.016   5.031   7.142
   20    HA   LYS   3           HA       LYS   3  -7.884   3.338   5.033
   21   1HB   LYS   3          2HB       LYS   3  -6.692   5.454   4.092
   22   2HB   LYS   3          3HB       LYS   3  -8.355   5.177   3.615
   23   1HG   LYS   3          2HG       LYS   3  -9.181   6.660   5.186
   24   2HG   LYS   3          3HG       LYS   3  -7.561   7.042   5.851
   25   1HD   LYS   3          2HD       LYS   3  -6.853   7.927   3.632
   26   2HD   LYS   3          3HD       LYS   3  -8.417   7.473   2.938
   27   1HE   LYS   3          2HE       LYS   3  -7.854   9.658   4.975
   28   2HE   LYS   3          3HE       LYS   3  -8.557   9.817   3.359
   29   1HZ   LYS   3          1HZ       LYS   3 -10.480   8.552   4.177
   30   2HZ   LYS   3          2HZ       LYS   3  -9.787   8.484   5.678
   31   3HZ   LYS   3          3HZ       LYS   3 -10.208   9.928   5.159
   32    H    HIS   4           H        HIS   4  -5.803   3.219   4.813
   33    HA   HIS   4           HA       HIS   4  -4.158   3.704   7.250
   34   1HB   HIS   4          2HB       HIS   4  -4.340   1.130   5.622
   35   2HB   HIS   4          3HB       HIS   4  -3.513   1.372   7.160
   36    HD1  HIS   4           1HD      HIS   4  -6.517  -0.315   6.092
   37    HD2  HIS   4           2HD      HIS   4  -5.666   2.639   8.971
   38    HE1  HIS   4           1HE      HIS   4  -8.492  -0.251   7.682
   39    H    GLU   5           H        GLU   5  -2.690   5.132   6.447
   40    HA   GLU   5           HA       GLU   5  -2.050   5.104   3.582
   41   1HB   GLU   5          2HB       GLU   5  -1.452   7.089   5.798
   42   2HB   GLU   5          3HB       GLU   5  -0.884   7.245   4.146
   43   1HG   GLU   5          2HG       GLU   5  -3.512   7.005   3.632
   44   2HG   GLU   5          3HG       GLU   5  -3.651   7.560   5.307
   45    H    PHE   6           H        PHE   6  -0.039   4.781   2.688
   46    HA   PHE   6           HA       PHE   6   2.258   4.145   4.471
   47   1HB   PHE   6          2HB       PHE   6   1.289   2.555   2.105
   48   2HB   PHE   6          3HB       PHE   6   2.826   2.326   2.930
   49    HD1  PHE   6           1HD      PHE   6  -0.895   2.278   3.533
   50    HD2  PHE   6           2HD      PHE   6   2.964   0.879   4.879
   51    HE1  PHE   6           1HE      PHE   6  -1.984   0.686   5.072
   52    HE2  PHE   6           2HE      PHE   6   1.887  -0.839   6.175
   53    HZ   PHE   6           HZ       PHE   6  -0.622  -0.950   6.340
   54    H    SER   7           H        SER   7   4.128   4.987   3.901
   55    HA   SER   7           HA       SER   7   4.402   6.474   1.330
   56   1HB   SER   7          2HB       SER   7   5.171   7.662   3.286
   57   2HB   SER   7          3HB       SER   7   6.189   6.293   3.793
   58    HG   SER   7           HG       SER   7   7.435   7.799   2.653
   59    H    VAL   8           H        VAL   8   5.519   5.466  -0.291
   60    HA   VAL   8           HA       VAL   8   6.902   2.890   0.229
   61    HB   VAL   8           HB       VAL   8   4.616   3.116  -1.759
   62   1HG1  VAL   8          1HG1      VAL   8   4.869   0.686  -1.929
   63   2HG1  VAL   8          2HG1      VAL   8   6.421   1.460  -2.285
   64   3HG1  VAL   8          3HG1      VAL   8   6.154   0.705  -0.706
   65   1HG2  VAL   8          1HG2      VAL   8   3.438   1.470  -0.168
   66   2HG2  VAL   8          2HG2      VAL   8   4.661   1.898   1.030
   67   3HG2  VAL   8          3HG2      VAL   8   3.540   3.135   0.421
   68    H    ASP   9           H        ASP   9   8.753   3.315  -0.679
   69    HA   ASP   9           HA       ASP   9   9.505   5.113  -2.685
   70   1HB   ASP   9          2HB       ASP   9  11.614   3.673  -2.545
   71   2HB   ASP   9          3HB       ASP   9  11.083   4.510  -1.088
   72    H    MET  10           H        MET  10   7.552   4.300  -4.067
   73    HA   MET  10           HA       MET  10   8.093   2.047  -5.784
   74   1HB   MET  10          2HB       MET  10   6.111   4.348  -5.939
   75   2HB   MET  10          3HB       MET  10   6.149   2.997  -7.089
   76   1HG   MET  10          2HG       MET  10   5.768   1.387  -5.283
   77   2HG   MET  10          3HG       MET  10   5.702   2.693  -4.101
   78   1HE   MET  10          1HE       MET  10   2.345   4.472  -4.996
   79   2HE   MET  10          2HE       MET  10   3.761   4.450  -3.914
   80   3HE   MET  10          3HE       MET  10   3.943   4.911  -5.626
   81    H    THR  11           H        THR  11  10.252   2.585  -6.366
   82    HA   THR  11           HA       THR  11  10.866   5.093  -7.601
   83    HB   THR  11           HB       THR  11  12.476   3.806  -6.277
   84    HG1  THR  11           1HG      THR  11  13.065   4.512  -8.938
   85   1HG2  THR  11          1HG2      THR  11  13.705   1.931  -7.272
   86   2HG2  THR  11          2HG2      THR  11  11.997   1.506  -7.073
   87   3HG2  THR  11          3HG2      THR  11  12.629   1.923  -8.680
   88    H    CYS  12           HN       CYS  12   9.212   2.476  -9.042
   89    HA   CYS  12           HA       CYS  12   9.344   3.880 -11.528
   90   1HB   CYS  12          2HB       CYS  12  10.039   2.071 -12.950
   91   2HB   CYS  12          3HB       CYS  12  11.305   2.307 -11.752
   92    H    GLY  13           H        GLY  13   7.679   2.908 -12.999
   93   1HA   GLY  13          2HA       GLY  13   5.159   2.505 -11.918
   94   2HA   GLY  13          3HA       GLY  13   5.681   1.892 -13.496
   95    H    GLY  14           H        GLY  14   7.633   0.068 -12.741
   96   1HA   GLY  14          2HA       GLY  14   6.234  -2.263 -12.335
   97   2HA   GLY  14          3HA       GLY  14   7.976  -2.054 -12.041
   98    H    CYS  15           HN       CYS  15   7.683  -0.138  -9.816
   99    HA   CYS  15           HA       CYS  15   7.295  -2.057  -7.665
  100   1HB   CYS  15          2HB       CYS  15   7.545   0.954  -7.659
  101   2HB   CYS  15          3HB       CYS  15   7.481  -0.080  -6.216
  102    H    ALA  16           H        ALA  16   5.349   0.615  -9.094
  103    HA   ALA  16           HA       ALA  16   3.216   0.436  -7.159
  104   1HB   ALA  16          1HB       ALA  16   1.895   1.667  -8.841
  105   2HB   ALA  16          2HB       ALA  16   3.462   2.424  -8.515
  106   3HB   ALA  16          3HB       ALA  16   3.205   1.498 -10.014
  107    H    GLU  17           H        GLU  17   3.748  -1.065 -10.373
  108    HA   GLU  17           HA       GLU  17   1.377  -2.594 -10.511
  109   1HB   GLU  17          2HB       GLU  17   4.196  -3.262 -11.448
  110   2HB   GLU  17          3HB       GLU  17   2.748  -4.135 -11.942
  111   1HG   GLU  17          2HG       GLU  17   1.883  -2.274 -13.142
  112   2HG   GLU  17          3HG       GLU  17   3.001  -1.132 -12.392
  113    H    ALA  18           H        ALA  18   4.568  -3.479  -9.067
  114    HA   ALA  18           HA       ALA  18   3.785  -6.019  -8.110
  115   1HB   ALA  18          1HB       ALA  18   5.731  -5.834  -6.600
  116   2HB   ALA  18          2HB       ALA  18   6.148  -5.238  -8.226
  117   3HB   ALA  18          3HB       ALA  18   5.821  -4.092  -6.907
  118    H    VAL  19           H        VAL  19   3.739  -2.851  -6.375
  119    HA   VAL  19           HA       VAL  19   2.729  -3.774  -3.948
  120    HB   VAL  19           HB       VAL  19   2.401  -1.156  -5.482
  121   1HG1  VAL  19          1HG1      VAL  19   1.796  -0.296  -3.165
  122   2HG1  VAL  19          2HG1      VAL  19   0.562  -1.266  -3.977
  123   3HG1  VAL  19          3HG1      VAL  19   1.586  -2.017  -2.720
  124   1HG2  VAL  19          1HG2      VAL  19   4.041  -1.489  -2.968
  125   2HG2  VAL  19          2HG2      VAL  19   4.751  -1.970  -4.513
  126   3HG2  VAL  19          3HG2      VAL  19   4.187  -0.308  -4.264
  127    H    SER  20           H        SER  20   1.048  -2.659  -6.900
  128    HA   SER  20           HA       SER  20  -1.554  -2.897  -5.926
  129   1HB   SER  20          2HB       SER  20  -0.720  -1.886  -8.152
  130   2HB   SER  20          3HB       SER  20  -0.731  -3.502  -8.825
  131    HG   SER  20           HG       SER  20  -3.042  -2.557  -7.522
  132    H    ARG  21           H        ARG  21   0.386  -5.253  -7.717
  133    HA   ARG  21           HA       ARG  21  -1.416  -7.395  -7.702
  134   1HB   ARG  21          2HB       ARG  21   0.197  -8.285  -8.848
  135   2HB   ARG  21          3HB       ARG  21   1.267  -6.967  -8.473
  136   1HG   ARG  21          2HG       ARG  21   2.330  -8.137  -6.692
  137   2HG   ARG  21          3HG       ARG  21   1.090  -9.390  -6.642
  138   1HD   ARG  21          2HD       ARG  21   3.082 -10.255  -7.790
  139   2HD   ARG  21          3HD       ARG  21   1.696 -10.190  -8.855
  140    HE   ARG  21           HE       ARG  21   2.629  -8.548 -10.155
  141   1HH1  ARG  21          2HH2      ARG  21   4.642  -8.977  -7.299
  142   2HH1  ARG  21          1HH2      ARG  21   6.051  -8.213  -7.971
  143   1HH2  ARG  21          2HH1      ARG  21   4.441  -7.434 -11.055
  144   2HH2  ARG  21          1HH1      ARG  21   5.896  -7.252 -10.142
  145    H    VAL  22           H        VAL  22   0.902  -6.442  -5.082
  146    HA   VAL  22           HA       VAL  22   0.449  -8.742  -3.474
  147    HB   VAL  22           HB       VAL  22   1.806  -6.046  -3.378
  148   1HG1  VAL  22          1HG1      VAL  22   1.037  -7.573  -0.930
  149   2HG1  VAL  22          2HG1      VAL  22   2.435  -6.472  -1.018
  150   3HG1  VAL  22          3HG1      VAL  22   0.817  -5.845  -1.390
  151   1HG2  VAL  22          1HG2      VAL  22   2.766  -8.816  -2.675
  152   2HG2  VAL  22          2HG2      VAL  22   2.933  -8.022  -4.264
  153   3HG2  VAL  22          3HG2      VAL  22   3.729  -7.320  -2.843
  154    H    LEU  23           H        LEU  23  -0.764  -5.367  -3.375
  155    HA   LEU  23           HA       LEU  23  -2.423  -5.787  -1.109
  156   1HB   LEU  23          2HB       LEU  23  -1.997  -3.646  -3.085
  157   2HB   LEU  23          3HB       LEU  23  -3.652  -3.702  -2.580
  158    HG   LEU  23           HG       LEU  23  -1.260  -3.675  -0.685
  159   1HD1  LEU  23          1HD1      LEU  23  -1.752  -1.256  -0.420
  160   2HD1  LEU  23          2HD1      LEU  23  -1.347  -1.615  -2.110
  161   3HD1  LEU  23          3HD1      LEU  23  -3.037  -1.375  -1.630
  162   1HD2  LEU  23          1HD2      LEU  23  -3.488  -4.519   0.236
  163   2HD2  LEU  23          2HD2      LEU  23  -2.928  -3.014   0.988
  164   3HD2  LEU  23          3HD2      LEU  23  -4.178  -2.972  -0.279
  165    H    ASN  24           H        ASN  24  -2.989  -6.139  -4.636
  166    HA   ASN  24           HA       ASN  24  -5.789  -6.595  -4.503
  167   1HB   ASN  24          2HB       ASN  24  -4.601  -6.153  -6.606
  168   2HB   ASN  24          3HB       ASN  24  -3.774  -7.712  -6.489
  169   1HD2  ASN  24          1HD2      ASN  24  -6.981  -8.255  -5.329
  170   2HD2  ASN  24          2HD2      ASN  24  -7.642  -8.713  -6.881
  171    H    LYS  25           H        LYS  25  -2.988  -8.884  -4.310
  172    HA   LYS  25           HA       LYS  25  -4.377 -11.254  -4.206
  173   1HB   LYS  25          2HB       LYS  25  -1.830 -10.767  -4.063
  174   2HB   LYS  25          3HB       LYS  25  -2.050 -10.761  -2.313
  175   1HG   LYS  25          2HG       LYS  25  -3.076 -13.040  -2.444
  176   2HG   LYS  25          3HG       LYS  25  -2.829 -13.035  -4.200
  177   1HD   LYS  25          2HD       LYS  25  -0.379 -12.836  -3.858
  178   2HD   LYS  25          3HD       LYS  25  -0.629 -12.852  -2.096
  179   1HE   LYS  25          2HE       LYS  25  -1.692 -15.109  -2.270
  180   2HE   LYS  25          3HE       LYS  25  -1.450 -15.092  -4.024
  181   1HZ   LYS  25          1HZ       LYS  25   0.919 -15.049  -3.636
  182   2HZ   LYS  25          2HZ       LYS  25   0.693 -15.065  -2.003
  183   3HZ   LYS  25          3HZ       LYS  25   0.233 -16.353  -2.912
  184    H    LEU  26           H        LEU  26  -3.763  -9.091  -1.470
  185    HA   LEU  26           HA       LEU  26  -4.981 -10.483   0.651
  186   1HB   LEU  26          2HB       LEU  26  -3.761  -8.583   1.112
  187   2HB   LEU  26          3HB       LEU  26  -4.603  -7.589  -0.036
  188    HG   LEU  26           HG       LEU  26  -5.063  -6.733   2.014
  189   1HD1  LEU  26          1HD1      LEU  26  -7.668  -8.160   1.506
  190   2HD1  LEU  26          2HD1      LEU  26  -7.329  -6.582   2.174
  191   3HD1  LEU  26          3HD1      LEU  26  -7.030  -6.880   0.439
  192   1HD2  LEU  26          1HD2      LEU  26  -6.132  -9.408   2.954
  193   2HD2  LEU  26          2HD2      LEU  26  -4.589  -8.660   3.446
  194   3HD2  LEU  26          3HD2      LEU  26  -6.131  -7.852   3.838
  195    H    GLY  27           H        GLY  27  -6.573  -8.484  -1.876
  196   1HA   GLY  27          2HA       GLY  27  -8.515  -9.620  -2.769
  197   2HA   GLY  27          3HA       GLY  27  -9.188  -9.776  -1.153
  198    H    GLY  28           H        GLY  28 -10.032  -7.838  -0.073
  199   1HA   GLY  28          2HA       GLY  28 -11.616  -6.525  -2.118
  200   2HA   GLY  28          3HA       GLY  28 -11.903  -6.571  -0.378
  201    H    VAL  29           H        VAL  29  -8.781  -5.465  -1.024
  202    HA   VAL  29           HA       VAL  29  -9.301  -2.873   0.058
  203    HB   VAL  29           HB       VAL  29  -6.872  -2.484  -0.577
  204   1HG1  VAL  29          1HG1      VAL  29  -7.293  -3.287   1.614
  205   2HG1  VAL  29          2HG1      VAL  29  -7.776  -4.871   1.033
  206   3HG1  VAL  29          3HG1      VAL  29  -6.071  -4.416   0.980
  207   1HG2  VAL  29          1HG2      VAL  29  -6.913  -5.410  -1.453
  208   2HG2  VAL  29          2HG2      VAL  29  -6.869  -4.051  -2.583
  209   3HG2  VAL  29          3HG2      VAL  29  -5.558  -4.287  -1.431
  210    H    LYS  30           H        LYS  30  -9.236  -0.813  -0.885
  211    HA   LYS  30           HA       LYS  30  -8.489  -0.581  -3.675
  212   1HB   LYS  30          2HB       LYS  30 -11.141   0.388  -2.601
  213   2HB   LYS  30          3HB       LYS  30 -10.274   1.396  -3.763
  214   1HG   LYS  30          2HG       LYS  30 -10.973  -1.526  -4.237
  215   2HG   LYS  30          3HG       LYS  30 -11.915  -0.154  -4.812
  216   1HD   LYS  30          2HD       LYS  30 -10.641   0.044  -6.633
  217   2HD   LYS  30          3HD       LYS  30  -9.206   0.357  -5.659
  218   1HE   LYS  30          2HE       LYS  30  -8.780  -2.091  -5.469
  219   2HE   LYS  30          3HE       LYS  30 -10.253  -2.427  -6.392
  220   1HZ   LYS  30          1HZ       LYS  30  -9.244  -1.297  -8.261
  221   2HZ   LYS  30          2HZ       LYS  30  -7.881  -0.985  -7.389
  222   3HZ   LYS  30          3HZ       LYS  30  -8.295  -2.535  -7.743
  223    H    TYR  31           H        TYR  31  -7.351   1.329  -4.063
  224    HA   TYR  31           HA       TYR  31  -6.492   2.833  -1.745
  225   1HB   TYR  31          2HB       TYR  31  -4.149   1.824  -2.000
  226   2HB   TYR  31          3HB       TYR  31  -5.354   0.737  -1.325
  227    HD1  TYR  31           HD1      TYR  31  -2.901   1.028  -3.894
  228    HD2  TYR  31           HD2      TYR  31  -6.388  -1.107  -2.567
  229    HE1  TYR  31           HE1      TYR  31  -2.375  -0.830  -5.444
  230    HE2  TYR  31           HE2      TYR  31  -6.003  -2.838  -4.291
  231    HH   TYR  31           HH       TYR  31  -4.328  -3.736  -5.752
  232    H    ASP  32           H        ASP  32  -4.972   4.428  -2.234
  233    HA   ASP  32           HA       ASP  32  -4.982   5.312  -5.073
  234   1HB   ASP  32          2HB       ASP  32  -5.689   7.025  -3.427
  235   2HB   ASP  32          3HB       ASP  32  -4.206   6.748  -2.501
  236    H    ILE  33           H        ILE  33  -2.892   5.928  -5.937
  237    HA   ILE  33           HA       ILE  33  -0.506   4.529  -4.919
  238    HB   ILE  33           HB       ILE  33  -1.979   4.088  -7.553
  239   1HG1  ILE  33          2HG1      ILE  33  -1.118   2.103  -5.416
  240   2HG1  ILE  33          3HG1      ILE  33  -2.776   2.732  -5.581
  241   1HG2  ILE  33          1HG2      ILE  33   0.405   4.274  -7.974
  242   2HG2  ILE  33          2HG2      ILE  33   0.759   3.137  -6.657
  243   3HG2  ILE  33          3HG2      ILE  33  -0.090   2.592  -8.133
  244   1HD1  ILE  33          1HD1      ILE  33  -1.458   0.778  -7.409
  245   2HD1  ILE  33          2HD1      ILE  33  -3.136   0.868  -6.811
  246   3HD1  ILE  33          3HD1      ILE  33  -2.619   1.944  -8.087
  247    H    ASP  34           H        ASP  34   0.345   6.636  -4.636
  248    HA   ASP  34           HA       ASP  34   0.459   8.380  -7.063
  249   1HB   ASP  34          2HB       ASP  34  -0.176   9.418  -4.898
  250   2HB   ASP  34          3HB       ASP  34   1.458   9.041  -4.303
  251    H    LEU  35           H        LEU  35   1.987   7.729  -8.377
  252    HA   LEU  35           HA       LEU  35   4.347   6.280  -7.548
  253   1HB   LEU  35          2HB       LEU  35   3.114   7.153 -10.116
  254   2HB   LEU  35          3HB       LEU  35   4.873   7.077 -10.118
  255    HG   LEU  35           HG       LEU  35   3.200   4.766  -9.066
  256   1HD1  LEU  35          1HD1      LEU  35   4.088   5.146 -11.956
  257   2HD1  LEU  35          2HD1      LEU  35   3.300   3.709 -11.273
  258   3HD1  LEU  35          3HD1      LEU  35   2.413   5.237 -11.363
  259   1HD2  LEU  35          1HD2      LEU  35   5.672   4.753  -8.608
  260   2HD2  LEU  35          2HD2      LEU  35   5.211   3.427  -9.692
  261   3HD2  LEU  35          3HD2      LEU  35   5.982   4.875 -10.347
  262    HA   PRO  36           HA       PRO  36   6.816  10.204  -8.689
  263   1HB   PRO  36          2HB       PRO  36   5.523  12.675  -8.595
  264   2HB   PRO  36          3HB       PRO  36   5.866  11.733 -10.072
  265   1HG   PRO  36          2HG       PRO  36   3.310  11.811  -8.469
  266   2HG   PRO  36          3HG       PRO  36   3.498  11.899 -10.243
  267   1HD   PRO  36          2HD       PRO  36   2.813   9.605  -9.054
  268   2HD   PRO  36          3HD       PRO  36   4.003   9.569 -10.382
  269    H    ASN  37           H        ASN  37   4.082  10.535  -6.385
  270    HA   ASN  37           HA       ASN  37   5.892  11.853  -4.438
  271   1HB   ASN  37          2HB       ASN  37   2.990  11.113  -4.090
  272   2HB   ASN  37          3HB       ASN  37   4.029  11.770  -2.855
  273   1HD2  ASN  37          1HD2      ASN  37   1.958  12.740  -5.423
  274   2HD2  ASN  37          2HD2      ASN  37   2.522  14.405  -5.509
  275    H    LYS  38           H        LYS  38   4.821   8.558  -5.137
  276    HA   LYS  38           HA       LYS  38   5.522   6.571  -4.376
  277   1HB   LYS  38          2HB       LYS  38   7.630   8.230  -2.931
  278   2HB   LYS  38          3HB       LYS  38   7.487   6.549  -2.719
  279   1HG   LYS  38          2HG       LYS  38   9.042   6.538  -4.364
  280   2HG   LYS  38          3HG       LYS  38   7.589   6.394  -5.345
  281   1HD   LYS  38          2HD       LYS  38   9.169   7.926  -6.309
  282   2HD   LYS  38          3HD       LYS  38   7.708   8.787  -5.875
  283   1HE   LYS  38          2HE       LYS  38   9.920   8.793  -3.836
  284   2HE   LYS  38          3HE       LYS  38  10.192   9.689  -5.339
  285   1HZ   LYS  38          1HZ       LYS  38   9.208  11.139  -3.762
  286   2HZ   LYS  38          2HZ       LYS  38   8.134  10.857  -4.982
  287   3HZ   LYS  38          3HZ       LYS  38   7.921  10.147  -3.510
  288    H    LYS  39           H        LYS  39   3.188   6.891  -3.634
  289    HA   LYS  39           HA       LYS  39   3.080   6.483  -0.710
  290   1HB   LYS  39          2HB       LYS  39   2.731   9.021  -1.485
  291   2HB   LYS  39          3HB       LYS  39   1.136   8.422  -1.966
  292   1HG   LYS  39          2HG       LYS  39   1.030   7.432   0.449
  293   2HG   LYS  39          3HG       LYS  39   2.438   8.454   0.778
  294   1HD   LYS  39          2HD       LYS  39   1.073  10.461   0.039
  295   2HD   LYS  39          3HD       LYS  39  -0.311   9.384  -0.195
  296   1HE   LYS  39          2HE       LYS  39   0.181   8.681   2.342
  297   2HE   LYS  39          3HE       LYS  39   1.077  10.196   2.392
  298   1HZ   LYS  39          1HZ       LYS  39  -1.059  11.305   1.762
  299   2HZ   LYS  39          2HZ       LYS  39  -1.841   9.840   1.894
  300   3HZ   LYS  39          3HZ       LYS  39  -1.149  10.428   3.170
  301    H    VAL  40           H        VAL  40   1.414   5.117  -0.116
  302    HA   VAL  40           HA       VAL  40  -0.485   4.176  -2.176
  303    HB   VAL  40           HB       VAL  40   1.054   2.468  -0.171
  304   1HG1  VAL  40          1HG1      VAL  40   0.019   0.596  -1.432
  305   2HG1  VAL  40          2HG1      VAL  40  -1.201   1.605  -0.638
  306   3HG1  VAL  40          3HG1      VAL  40  -0.918   1.766  -2.387
  307   1HG2  VAL  40          1HG2      VAL  40   2.484   3.284  -1.946
  308   2HG2  VAL  40          2HG2      VAL  40   2.185   1.562  -2.122
  309   3HG2  VAL  40          3HG2      VAL  40   1.312   2.723  -3.176
  310    H    CYS  41           H        CYS  41  -2.511   4.742  -1.309
  311    HA   CYS  41           HA       CYS  41  -2.760   4.701   1.685
  312   1HB   CYS  41          2HB       CYS  41  -3.907   6.708  -0.269
  313   2HB   CYS  41          3HB       CYS  41  -4.209   6.643   1.450
  314    HG   CYS  41           HG       CYS  41  -1.352   6.946  -0.147
  315    H    ILE  42           H        ILE  42  -3.904   2.963   2.174
  316    HA   ILE  42           HA       ILE  42  -5.884   2.105   0.184
  317    HB   ILE  42           HB       ILE  42  -5.139   0.744   2.791
  318   1HG1  ILE  42          2HG1      ILE  42  -4.034  -0.887   0.888
  319   2HG1  ILE  42          3HG1      ILE  42  -3.660   0.664   0.182
  320   1HG2  ILE  42          1HG2      ILE  42  -6.562  -0.167   0.266
  321   2HG2  ILE  42          2HG2      ILE  42  -6.099  -1.245   1.568
  322   3HG2  ILE  42          3HG2      ILE  42  -7.254   0.056   1.883
  323   1HD1  ILE  42          1HD1      ILE  42  -2.268   1.265   1.990
  324   2HD1  ILE  42          2HD1      ILE  42  -3.014   0.079   3.082
  325   3HD1  ILE  42          3HD1      ILE  42  -1.951  -0.475   1.802
  326    H    GLU  43           H        GLU  43  -8.101   2.343   0.482
  327    HA   GLU  43           HA       GLU  43  -9.032   3.208   3.175
  328   1HB   GLU  43          2HB       GLU  43  -9.050   5.093   1.444
  329   2HB   GLU  43          3HB       GLU  43 -10.308   4.195   0.599
  330   1HG   GLU  43          2HG       GLU  43 -11.840   4.447   2.419
  331   2HG   GLU  43          3HG       GLU  43 -10.579   4.890   3.566
  332    H    SER  44           H        SER  44  -9.714   1.328   3.966
  333    HA   SER  44           HA       SER  44 -11.970   0.062   2.837
  334   1HB   SER  44          2HB       SER  44 -10.998  -2.181   2.369
  335   2HB   SER  44          3HB       SER  44 -10.383  -0.950   1.259
  336    HG   SER  44           HG       SER  44  -8.674  -0.832   3.099
  337    H    GLU  45           H        GLU  45 -12.806  -1.588   4.297
  338    HA   GLU  45           HA       GLU  45 -12.372  -1.061   7.011
  339   1HB   GLU  45          2HB       GLU  45 -13.573  -3.534   5.679
  340   2HB   GLU  45          3HB       GLU  45 -13.791  -3.056   7.368
  341   1HG   GLU  45          2HG       GLU  45 -14.912  -0.973   6.668
  342   2HG   GLU  45          3HG       GLU  45 -14.712  -1.399   4.959
  343    H    HIS  46           H        HIS  46 -10.611  -3.195   4.867
  344    HA   HIS  46           HA       HIS  46  -9.549  -5.126   6.613
  345   1HB   HIS  46          2HB       HIS  46  -8.317  -3.696   4.232
  346   2HB   HIS  46          3HB       HIS  46  -7.584  -5.075   5.054
  347    HD1  HIS  46           1HD      HIS  46  -8.857  -7.462   4.820
  348    HD2  HIS  46           2HD      HIS  46  -9.996  -4.304   2.295
  349    HE1  HIS  46           1HE      HIS  46  -9.924  -8.514   2.770
  350    H    SER  47           H        SER  47  -8.662  -4.716   8.528
  351    HA   SER  47           HA       SER  47  -7.848  -2.323   9.533
  352   1HB   SER  47          2HB       SER  47  -8.307  -4.401  10.860
  353   2HB   SER  47          3HB       SER  47  -6.716  -5.024  10.373
  354    HG   SER  47           HG       SER  47  -7.324  -2.791  12.004
  355    H    MET  48           H        MET  48  -5.936  -1.281  10.030
  356    HA   MET  48           HA       MET  48  -3.959  -1.108   8.111
  357   1HB   MET  48          2HB       MET  48  -2.819   0.362   9.496
  358   2HB   MET  48          3HB       MET  48  -4.522   0.550   9.941
  359   1HG   MET  48          2HG       MET  48  -4.052  -1.158  11.766
  360   2HG   MET  48          3HG       MET  48  -2.326  -0.842  11.452
  361   1HE   MET  48          1HE       MET  48  -2.849   1.005  14.836
  362   2HE   MET  48          2HE       MET  48  -3.562  -0.543  14.319
  363   3HE   MET  48          3HE       MET  48  -1.864  -0.166  13.927
  364    H    ASP  49           H        ASP  49  -4.100  -3.313  10.887
  365    HA   ASP  49           HA       ASP  49  -1.338  -4.107  10.853
  366   1HB   ASP  49          2HB       ASP  49  -2.732  -4.500  12.802
  367   2HB   ASP  49          3HB       ASP  49  -3.830  -5.538  11.871
  368    H    THR  50           H        THR  50  -4.277  -5.856   9.690
  369    HA   THR  50           HA       THR  50  -3.153  -7.855   8.235
  370    HB   THR  50           HB       THR  50  -5.545  -6.260   7.220
  371    HG1  THR  50           1HG      THR  50  -6.671  -7.513   8.909
  372   1HG2  THR  50          1HG2      THR  50  -4.874  -8.370   6.046
  373   2HG2  THR  50          2HG2      THR  50  -5.064  -9.255   7.574
  374   3HG2  THR  50          3HG2      THR  50  -6.473  -8.492   6.803
  375    H    LEU  51           H        LEU  51  -3.916  -4.521   7.096
  376    HA   LEU  51           HA       LEU  51  -2.798  -4.920   4.474
  377   1HB   LEU  51          2HB       LEU  51  -3.185  -2.363   6.088
  378   2HB   LEU  51          3HB       LEU  51  -2.624  -2.448   4.422
  379    HG   LEU  51           HG       LEU  51  -5.349  -3.031   5.592
  380   1HD1  LEU  51          1HD1      LEU  51  -6.071  -1.650   3.723
  381   2HD1  LEU  51          2HD1      LEU  51  -4.704  -0.851   4.524
  382   3HD1  LEU  51          3HD1      LEU  51  -4.423  -1.724   3.002
  383   1HD2  LEU  51          1HD2      LEU  51  -4.403  -4.219   2.943
  384   2HD2  LEU  51          2HD2      LEU  51  -5.031  -5.117   4.353
  385   3HD2  LEU  51          3HD2      LEU  51  -6.093  -4.055   3.443
  386    H    LEU  52           H        LEU  52  -1.314  -3.693   7.499
  387    HA   LEU  52           HA       LEU  52   1.106  -2.906   6.403
  388   1HB   LEU  52          2HB       LEU  52   0.150  -3.662   9.041
  389   2HB   LEU  52          3HB       LEU  52   1.817  -4.150   8.780
  390    HG   LEU  52           HG       LEU  52   0.888  -1.345   8.086
  391   1HD1  LEU  52          1HD1      LEU  52   0.045  -1.688  10.255
  392   2HD1  LEU  52          2HD1      LEU  52   1.607  -2.329  10.832
  393   3HD1  LEU  52          3HD1      LEU  52   1.458  -0.617  10.332
  394   1HD2  LEU  52          1HD2      LEU  52   3.192  -2.163   7.438
  395   2HD2  LEU  52          2HD2      LEU  52   3.261  -0.828   8.607
  396   3HD2  LEU  52          3HD2      LEU  52   3.523  -2.495   9.151
  397    H    ALA  53           H        ALA  53   0.208  -6.082   7.789
  398    HA   ALA  53           HA       ALA  53   2.567  -7.505   7.209
  399   1HB   ALA  53          1HB       ALA  53  -0.312  -8.529   7.294
  400   2HB   ALA  53          2HB       ALA  53   1.153  -9.524   7.436
  401   3HB   ALA  53          3HB       ALA  53   0.765  -8.328   8.690
  402    H    THR  54           H        THR  54  -0.368  -7.046   5.173
  403    HA   THR  54           HA       THR  54   0.482  -8.601   2.960
  404    HB   THR  54           HB       THR  54  -1.285  -6.110   3.069
  405    HG1  THR  54           1HG      THR  54  -2.077  -7.713   4.417
  406   1HG2  THR  54          1HG2      THR  54  -0.574  -6.681   0.778
  407   2HG2  THR  54          2HG2      THR  54  -1.192  -8.335   1.025
  408   3HG2  THR  54          3HG2      THR  54  -2.292  -6.929   1.067
  409    H    LEU  55           H        LEU  55   0.907  -5.083   3.683
  410    HA   LEU  55           HA       LEU  55   1.963  -4.623   1.032
  411   1HB   LEU  55          2HB       LEU  55   1.057  -3.033   3.328
  412   2HB   LEU  55          3HB       LEU  55   2.466  -2.324   2.569
  413    HG   LEU  55           HG       LEU  55  -0.286  -2.743   1.456
  414   1HD1  LEU  55          1HD1      LEU  55   0.065  -0.256   1.073
  415   2HD1  LEU  55          2HD1      LEU  55   0.197  -0.753   2.777
  416   3HD1  LEU  55          3HD1      LEU  55   1.649  -0.392   1.821
  417   1HD2  LEU  55          1HD2      LEU  55   1.063  -3.371  -0.458
  418   2HD2  LEU  55          2HD2      LEU  55   0.571  -1.692  -0.633
  419   3HD2  LEU  55          3HD2      LEU  55   2.233  -2.062  -0.118
  420    H    LYS  56           H        LYS  56   3.376  -5.159   4.263
  421    HA   LYS  56           HA       LYS  56   6.072  -4.677   3.655
  422   1HB   LYS  56          2HB       LYS  56   4.527  -6.353   5.567
  423   2HB   LYS  56          3HB       LYS  56   6.103  -6.998   5.167
  424   1HG   LYS  56          2HG       LYS  56   6.231  -5.598   7.082
  425   2HG   LYS  56          3HG       LYS  56   7.220  -4.937   5.767
  426   1HD   LYS  56          2HD       LYS  56   5.271  -3.273   5.339
  427   2HD   LYS  56          3HD       LYS  56   4.487  -3.996   6.740
  428   1HE   LYS  56          2HE       LYS  56   5.536  -2.014   7.565
  429   2HE   LYS  56          3HE       LYS  56   6.516  -3.367   8.137
  430   1HZ   LYS  56          1HZ       LYS  56   7.927  -1.691   7.334
  431   2HZ   LYS  56          2HZ       LYS  56   7.974  -2.840   6.159
  432   3HZ   LYS  56          3HZ       LYS  56   7.092  -1.453   5.963
  433    H    LYS  57           H        LYS  57   4.011  -7.274   2.320
  434    HA   LYS  57           HA       LYS  57   6.242  -8.916   1.528
  435   1HB   LYS  57          2HB       LYS  57   3.522  -8.791   0.199
  436   2HB   LYS  57          3HB       LYS  57   4.705 -10.095   0.121
  437   1HG   LYS  57          2HG       LYS  57   3.055  -9.257   2.535
  438   2HG   LYS  57          3HG       LYS  57   2.937 -10.742   1.602
  439   1HD   LYS  57          2HD       LYS  57   5.267 -11.341   2.387
  440   2HD   LYS  57          3HD       LYS  57   5.247  -9.870   3.391
  441   1HE   LYS  57          2HE       LYS  57   3.143 -10.712   4.508
  442   2HE   LYS  57          3HE       LYS  57   3.311 -12.226   3.608
  443   1HZ   LYS  57          1HZ       LYS  57   5.432 -12.549   4.719
  444   2HZ   LYS  57          2HZ       LYS  57   5.244 -11.138   5.549
  445   3HZ   LYS  57          3HZ       LYS  57   4.212 -12.387   5.809
  446    H    THR  58           H        THR  58   5.200  -5.852   0.277
  447    HA   THR  58           HA       THR  58   6.356  -6.113  -2.413
  448    HB   THR  58           HB       THR  58   6.253  -3.768  -2.477
  449    HG1  THR  58           1HG      THR  58   5.537  -3.670   0.263
  450   1HG2  THR  58          1HG2      THR  58   3.865  -4.798  -0.904
  451   2HG2  THR  58          2HG2      THR  58   3.906  -3.339  -1.873
  452   3HG2  THR  58          3HG2      THR  58   4.126  -4.933  -2.649
  453    H    GLY  59           H        GLY  59   7.558  -5.658   0.839
  454   1HA   GLY  59          2HA       GLY  59   9.524  -5.357   1.714
  455   2HA   GLY  59          3HA       GLY  59  10.227  -6.284   0.362
  456    H    LYS  60           H        LYS  60   8.534  -3.166   0.114
  457    HA   LYS  60           HA       LYS  60  10.972  -1.770  -0.832
  458   1HB   LYS  60          2HB       LYS  60   8.237  -0.599  -0.231
  459   2HB   LYS  60          3HB       LYS  60   9.481   0.068  -1.264
  460   1HG   LYS  60          2HG       LYS  60   7.820  -2.388  -1.843
  461   2HG   LYS  60          3HG       LYS  60   7.656  -0.813  -2.598
  462   1HD   LYS  60          2HD       LYS  60   9.955  -2.796  -2.871
  463   2HD   LYS  60          3HD       LYS  60   8.766  -2.342  -4.092
  464   1HE   LYS  60          2HE       LYS  60   9.595   0.106  -3.804
  465   2HE   LYS  60          3HE       LYS  60  10.948  -0.538  -2.864
  466   1HZ   LYS  60          1HZ       LYS  60  11.485  -1.861  -4.892
  467   2HZ   LYS  60          2HZ       LYS  60  10.379  -0.927  -5.717
  468   3HZ   LYS  60          3HZ       LYS  60  11.662  -0.225  -5.000
  469    H    THR  61           H        THR  61  10.846   0.664   0.340
  470    HA   THR  61           HA       THR  61  11.337   0.270   3.206
  471    HB   THR  61           HB       THR  61  11.297   2.867   1.770
  472    HG1  THR  61           1HG      THR  61  12.591   1.609   0.450
  473   1HG2  THR  61          1HG2      THR  61  11.667   2.860   4.224
  474   2HG2  THR  61          2HG2      THR  61  13.055   1.768   3.999
  475   3HG2  THR  61          3HG2      THR  61  13.104   3.416   3.343
  476    H    VAL  62           H        VAL  62   8.859  -0.574   2.698
  477    HA   VAL  62           HA       VAL  62   6.916   1.522   2.401
  478    HB   VAL  62           HB       VAL  62   6.286  -0.399   1.366
  479   1HG1  VAL  62          1HG1      VAL  62   7.669  -2.135   2.271
  480   2HG1  VAL  62          2HG1      VAL  62   6.877  -2.021   3.860
  481   3HG1  VAL  62          3HG1      VAL  62   5.985  -2.611   2.448
  482   1HG2  VAL  62          1HG2      VAL  62   4.678  -0.729   3.911
  483   2HG2  VAL  62          2HG2      VAL  62   4.503   0.695   2.872
  484   3HG2  VAL  62          3HG2      VAL  62   4.176  -0.917   2.219
  485    H    SER  63           H        SER  63   6.533   2.920   3.932
  486    HA   SER  63           HA       SER  63   6.823   2.191   6.810
  487   1HB   SER  63          2HB       SER  63   7.324   4.838   6.695
  488   2HB   SER  63          3HB       SER  63   8.579   3.613   6.441
  489    HG   SER  63           HG       SER  63   8.363   3.834   4.219
  490    H    TYR  64           H        TYR  64   5.145   2.731   8.168
  491    HA   TYR  64           HA       TYR  64   2.633   3.304   6.810
  492   1HB   TYR  64          2HB       TYR  64   2.899   1.404   8.344
  493   2HB   TYR  64          3HB       TYR  64   3.261   2.507   9.676
  494    HD1  TYR  64           HD1      TYR  64   0.627   2.246   6.980
  495    HD2  TYR  64           HD2      TYR  64   1.440   2.682  11.191
  496    HE1  TYR  64           HE1      TYR  64  -1.744   2.675   7.393
  497    HE2  TYR  64           HE2      TYR  64  -0.979   2.951  11.622
  498    HH   TYR  64           HH       TYR  64  -3.057   3.224  10.673
  499    H    LEU  65           H        LEU  65   1.219   4.967   7.249
  500    HA   LEU  65           HA       LEU  65   2.123   7.271   8.898
  501   1HB   LEU  65          2HB       LEU  65   0.765   7.212   6.205
  502   2HB   LEU  65          3HB       LEU  65   0.757   8.607   7.287
  503    HG   LEU  65           HG       LEU  65   3.406   8.145   7.378
  504   1HD1  LEU  65          1HD1      LEU  65   2.669   7.241   4.572
  505   2HD1  LEU  65          2HD1      LEU  65   4.292   7.389   5.306
  506   3HD1  LEU  65          3HD1      LEU  65   3.189   6.129   5.851
  507   1HD2  LEU  65          1HD2      LEU  65   1.905   9.530   5.146
  508   2HD2  LEU  65          2HD2      LEU  65   2.367  10.205   6.732
  509   3HD2  LEU  65          3HD2      LEU  65   3.629   9.777   5.547
  510    H    GLY  66           H        GLY  66  -0.023   8.678   9.264
  511   1HA   GLY  66          2HA       GLY  66  -1.412   7.319  11.254
  512   2HA   GLY  66          3HA       GLY  66  -1.913   8.853  10.527
  513    H    LEU  67           H        LEU  67  -3.638   6.829  11.525
  514    HA   LEU  67           HA       LEU  67  -4.991   5.585   9.257
  515   1HB   LEU  67          2HB       LEU  67  -4.753   4.467  11.427
  516   2HB   LEU  67          3HB       LEU  67  -5.606   5.772  12.252
  517    HG   LEU  67           HG       LEU  67  -6.984   4.375   9.976
  518   1HD1  LEU  67          1HD1      LEU  67  -6.729   3.193  12.780
  519   2HD1  LEU  67          2HD1      LEU  67  -7.764   2.573  11.476
  520   3HD1  LEU  67          3HD1      LEU  67  -6.004   2.514  11.311
  521   1HD2  LEU  67          1HD2      LEU  67  -8.151   6.244  11.193
  522   2HD2  LEU  67          2HD2      LEU  67  -8.987   4.703  11.374
  523   3HD2  LEU  67          3HD2      LEU  67  -7.988   5.333  12.701
  524    H    GLU  68           H        GLU  68  -6.978   6.400   8.448
  525    HA   GLU  68           HA       GLU  68  -8.532   8.255   9.905
  526   1HB   GLU  68          2HB       GLU  68  -6.860   9.810   8.704
  527   2HB   GLU  68          3HB       GLU  68  -7.685   9.384   7.209
  528   1HG   GLU  68          2HG       GLU  68  -9.098  10.550   9.667
  529   2HG   GLU  68          3HG       GLU  68  -8.365  11.551   8.416
  Start of MODEL   21
    1   1H    MET   1           H1       MET   1 -12.273   7.184   7.999
    2   2H    MET   1           H2       MET   1 -13.531   7.335   9.080
    3   3H    MET   1           H3       MET   1 -12.072   6.685   9.509
    4    HA   MET   1           HA       MET   1 -13.597   4.883   9.178
    5   1HB   MET   1          2HB       MET   1 -15.208   5.959   7.786
    6   2HB   MET   1          3HB       MET   1 -14.029   6.246   6.497
    7   1HG   MET   1          2HG       MET   1 -13.833   3.856   6.057
    8   2HG   MET   1          3HG       MET   1 -14.942   3.478   7.384
    9   1HE   MET   1          1HE       MET   1 -18.370   4.629   5.927
   10   2HE   MET   1          2HE       MET   1 -17.527   3.845   7.283
   11   3HE   MET   1          3HE       MET   1 -17.334   5.596   6.995
   12    HA   PRO   2           HA       PRO   2  -9.456   3.680   8.963
   13   1HB   PRO   2          2HB       PRO   2 -10.521   1.141   7.736
   14   2HB   PRO   2          3HB       PRO   2  -9.164   1.325   8.885
   15   1HG   PRO   2          2HG       PRO   2 -11.624   0.780   9.834
   16   2HG   PRO   2          3HG       PRO   2 -10.611   2.020  10.630
   17   1HD   PRO   2          2HD       PRO   2 -12.993   2.417   8.868
   18   2HD   PRO   2          3HD       PRO   2 -12.367   3.413  10.219
   19    H    LYS   3           H        LYS   3  -9.073   5.393   7.450
   20    HA   LYS   3           HA       LYS   3  -8.089   4.525   4.780
   21   1HB   LYS   3          2HB       LYS   3  -7.738   7.252   6.075
   22   2HB   LYS   3          3HB       LYS   3  -7.493   6.782   4.389
   23   1HG   LYS   3          2HG       LYS   3 -10.014   6.134   4.432
   24   2HG   LYS   3          3HG       LYS   3 -10.083   7.114   5.909
   25   1HD   LYS   3          2HD       LYS   3  -8.960   8.993   4.595
   26   2HD   LYS   3          3HD       LYS   3  -9.216   8.038   3.128
   27   1HE   LYS   3          2HE       LYS   3 -11.349   9.121   5.037
   28   2HE   LYS   3          3HE       LYS   3 -10.967   9.734   3.426
   29   1HZ   LYS   3          1HZ       LYS   3 -12.167   7.064   4.014
   30   2HZ   LYS   3          2HZ       LYS   3 -12.871   8.323   3.236
   31   3HZ   LYS   3          3HZ       LYS   3 -11.635   7.448   2.585
   32    H    HIS   4           H        HIS   4  -5.907   4.323   4.409
   33    HA   HIS   4           HA       HIS   4  -4.012   4.573   6.708
   34   1HB   HIS   4          2HB       HIS   4  -4.272   2.135   4.914
   35   2HB   HIS   4          3HB       HIS   4  -3.203   2.348   6.295
   36    HD1  HIS   4           1HD      HIS   4  -6.108   0.462   5.508
   37    HD2  HIS   4           2HD      HIS   4  -5.097   3.103   8.620
   38    HE1  HIS   4           1HE      HIS   4  -7.644  -0.092   7.458
   39    H    GLU   5           H        GLU   5  -2.745   6.210   5.844
   40    HA   GLU   5           HA       GLU   5  -1.874   5.983   3.026
   41   1HB   GLU   5          2HB       GLU   5  -2.267   8.245   4.247
   42   2HB   GLU   5          3HB       GLU   5  -0.703   7.926   5.000
   43   1HG   GLU   5          2HG       GLU   5  -0.043   7.389   2.414
   44   2HG   GLU   5          3HG       GLU   5  -1.401   8.471   2.118
   45    H    PHE   6           H        PHE   6  -0.001   4.992   2.449
   46    HA   PHE   6           HA       PHE   6   2.018   4.345   4.539
   47   1HB   PHE   6          2HB       PHE   6   1.122   2.617   2.208
   48   2HB   PHE   6          3HB       PHE   6   2.631   2.381   3.076
   49    HD1  PHE   6           1HD      PHE   6   2.712   0.995   4.997
   50    HD2  PHE   6           2HD      PHE   6  -1.096   2.526   3.678
   51    HE1  PHE   6           1HE      PHE   6   1.559  -0.775   6.252
   52    HE2  PHE   6           2HE      PHE   6  -2.242   0.777   5.008
   53    HZ   PHE   6           HZ       PHE   6  -0.935  -0.912   6.235
   54    H    SER   7           H        SER   7   3.992   5.098   4.002
   55    HA   SER   7           HA       SER   7   4.345   6.335   1.307
   56   1HB   SER   7          2HB       SER   7   4.833   7.714   3.358
   57   2HB   SER   7          3HB       SER   7   6.178   6.611   3.700
   58    HG   SER   7           HG       SER   7   6.971   7.209   1.561
   59    H    VAL   8           H        VAL   8   5.962   5.497  -0.032
   60    HA   VAL   8           HA       VAL   8   7.145   2.860   0.654
   61    HB   VAL   8           HB       VAL   8   5.282   3.522  -1.687
   62   1HG1  VAL   8          1HG1      VAL   8   5.385   1.034  -2.140
   63   2HG1  VAL   8          2HG1      VAL   8   6.852   1.886  -2.548
   64   3HG1  VAL   8          3HG1      VAL   8   6.763   0.947  -1.032
   65   1HG2  VAL   8          1HG2      VAL   8   3.936   3.179   0.274
   66   2HG2  VAL   8          2HG2      VAL   8   3.913   1.639  -0.587
   67   3HG2  VAL   8          3HG2      VAL   8   4.957   1.830   0.817
   68    H    ASP   9           H        ASP   9   8.527   2.276  -1.506
   69    HA   ASP   9           HA       ASP   9   9.501   4.798  -2.751
   70   1HB   ASP   9          2HB       ASP   9  11.328   4.014  -1.441
   71   2HB   ASP   9          3HB       ASP   9  11.232   2.392  -2.163
   72    H    MET  10           H        MET  10   7.537   4.288  -4.067
   73    HA   MET  10           HA       MET  10   7.758   2.104  -5.959
   74   1HB   MET  10          2HB       MET  10   6.039   4.608  -6.096
   75   2HB   MET  10          3HB       MET  10   5.932   3.189  -7.144
   76   1HG   MET  10          2HG       MET  10   5.200   1.799  -5.323
   77   2HG   MET  10          3HG       MET  10   5.358   3.152  -4.177
   78   1HE   MET  10          1HE       MET  10   2.882   2.595  -3.504
   79   2HE   MET  10          2HE       MET  10   1.485   2.694  -4.612
   80   3HE   MET  10          3HE       MET  10   2.665   1.370  -4.784
   81    H    THR  11           H        THR  11  10.141   2.820  -6.393
   82    HA   THR  11           HA       THR  11  10.388   5.341  -7.754
   83    HB   THR  11           HB       THR  11  12.091   4.124  -6.229
   84    HG1  THR  11           1HG      THR  11  12.870   5.592  -8.507
   85   1HG2  THR  11          1HG2      THR  11  12.477   2.168  -7.701
   86   2HG2  THR  11          2HG2      THR  11  13.171   3.249  -8.932
   87   3HG2  THR  11          3HG2      THR  11  13.941   3.102  -7.343
   88    H    CYS  12           HN       CYS  12   9.183   2.532  -9.091
   89    HA   CYS  12           HA       CYS  12   9.233   3.952 -11.581
   90   1HB   CYS  12          2HB       CYS  12   9.978   2.179 -13.008
   91   2HB   CYS  12          3HB       CYS  12  11.237   2.437 -11.806
   92    H    GLY  13           H        GLY  13   7.621   2.971 -13.032
   93   1HA   GLY  13          2HA       GLY  13   5.066   2.504 -12.124
   94   2HA   GLY  13          3HA       GLY  13   5.733   1.844 -13.612
   95    H    GLY  14           H        GLY  14   7.683   0.102 -12.592
   96   1HA   GLY  14          2HA       GLY  14   6.031  -2.152 -12.291
   97   2HA   GLY  14          3HA       GLY  14   7.813  -2.120 -12.158
   98    H    CYS  15           HN       CYS  15   7.777  -0.214  -9.842
   99    HA   CYS  15           HA       CYS  15   7.481  -2.138  -7.689
  100   1HB   CYS  15          2HB       CYS  15   7.662   0.880  -7.727
  101   2HB   CYS  15          3HB       CYS  15   7.649  -0.117  -6.252
  102    H    ALA  16           H        ALA  16   5.523   0.600  -8.933
  103    HA   ALA  16           HA       ALA  16   3.390   0.348  -7.056
  104   1HB   ALA  16          1HB       ALA  16   3.695   2.324  -8.423
  105   2HB   ALA  16          2HB       ALA  16   3.333   1.407  -9.906
  106   3HB   ALA  16          3HB       ALA  16   2.083   1.625  -8.675
  107    H    GLU  17           H        GLU  17   3.865  -1.105 -10.325
  108    HA   GLU  17           HA       GLU  17   1.526  -2.598 -10.476
  109   1HB   GLU  17          2HB       GLU  17   3.469  -2.376 -12.194
  110   2HB   GLU  17          3HB       GLU  17   4.229  -3.709 -11.314
  111   1HG   GLU  17          2HG       GLU  17   1.807  -4.830 -11.632
  112   2HG   GLU  17          3HG       GLU  17   1.718  -3.642 -12.942
  113    H    ALA  18           H        ALA  18   4.664  -3.593  -8.995
  114    HA   ALA  18           HA       ALA  18   3.836  -6.124  -8.054
  115   1HB   ALA  18          1HB       ALA  18   5.745  -5.980  -6.523
  116   2HB   ALA  18          2HB       ALA  18   6.203  -5.352  -8.125
  117   3HB   ALA  18          3HB       ALA  18   5.861  -4.233  -6.787
  118    H    VAL  19           H        VAL  19   3.825  -2.958  -6.304
  119    HA   VAL  19           HA       VAL  19   2.732  -3.852  -3.897
  120    HB   VAL  19           HB       VAL  19   2.464  -1.245  -5.453
  121   1HG1  VAL  19          1HG1      VAL  19   1.897  -0.406  -3.098
  122   2HG1  VAL  19          2HG1      VAL  19   0.622  -1.250  -4.003
  123   3HG1  VAL  19          3HG1      VAL  19   1.535  -2.126  -2.739
  124   1HG2  VAL  19          1HG2      VAL  19   4.790  -2.099  -4.445
  125   2HG2  VAL  19          2HG2      VAL  19   4.263  -0.420  -4.257
  126   3HG2  VAL  19          3HG2      VAL  19   4.070  -1.550  -2.922
  127    H    SER  20           H        SER  20   1.105  -2.736  -6.875
  128    HA   SER  20           HA       SER  20  -1.534  -3.003  -5.900
  129   1HB   SER  20          2HB       SER  20  -0.586  -1.914  -8.115
  130   2HB   SER  20          3HB       SER  20  -0.790  -3.510  -8.825
  131    HG   SER  20           HG       SER  20  -2.654  -2.170  -9.072
  132    H    ARG  21           H        ARG  21   0.432  -5.303  -7.790
  133    HA   ARG  21           HA       ARG  21  -1.387  -7.414  -7.855
  134   1HB   ARG  21          2HB       ARG  21   0.241  -8.317  -8.974
  135   2HB   ARG  21          3HB       ARG  21   1.290  -6.980  -8.595
  136   1HG   ARG  21          2HG       ARG  21   2.293  -8.155  -6.730
  137   2HG   ARG  21          3HG       ARG  21   1.120  -9.458  -6.844
  138   1HD   ARG  21          2HD       ARG  21   3.119 -10.235  -7.858
  139   2HD   ARG  21          3HD       ARG  21   2.001  -9.969  -9.180
  140    HE   ARG  21           HE       ARG  21   4.466  -8.485  -8.466
  141   1HH1  ARG  21          2HH2      ARG  21   1.656  -8.518 -10.721
  142   2HH1  ARG  21          1HH2      ARG  21   2.519  -7.441 -11.832
  143   1HH2  ARG  21          2HH1      ARG  21   5.435  -7.050 -10.087
  144   2HH2  ARG  21          1HH1      ARG  21   4.441  -6.705 -11.503
  145    H    VAL  22           H        VAL  22   0.902  -6.567  -5.201
  146    HA   VAL  22           HA       VAL  22   0.421  -8.872  -3.606
  147    HB   VAL  22           HB       VAL  22   1.772  -6.168  -3.494
  148   1HG1  VAL  22          1HG1      VAL  22   2.372  -6.495  -1.139
  149   2HG1  VAL  22          2HG1      VAL  22   0.735  -5.940  -1.522
  150   3HG1  VAL  22          3HG1      VAL  22   1.011  -7.643  -1.020
  151   1HG2  VAL  22          1HG2      VAL  22   2.732  -8.922  -2.766
  152   2HG2  VAL  22          2HG2      VAL  22   2.912  -8.124  -4.348
  153   3HG2  VAL  22          3HG2      VAL  22   3.684  -7.413  -2.917
  154    H    LEU  23           H        LEU  23  -0.857  -5.531  -3.569
  155    HA   LEU  23           HA       LEU  23  -2.625  -6.005  -1.337
  156   1HB   LEU  23          2HB       LEU  23  -2.136  -3.815  -3.310
  157   2HB   LEU  23          3HB       LEU  23  -3.713  -3.821  -2.603
  158    HG   LEU  23           HG       LEU  23  -1.144  -4.009  -0.963
  159   1HD1  LEU  23          1HD1      LEU  23  -2.829  -1.567  -1.664
  160   2HD1  LEU  23          2HD1      LEU  23  -1.378  -1.594  -0.627
  161   3HD1  LEU  23          3HD1      LEU  23  -1.227  -1.918  -2.360
  162   1HD2  LEU  23          1HD2      LEU  23  -3.350  -4.689   0.182
  163   2HD2  LEU  23          2HD2      LEU  23  -2.640  -3.192   0.828
  164   3HD2  LEU  23          3HD2      LEU  23  -3.983  -3.122  -0.337
  165    H    ASN  24           H        ASN  24  -2.980  -6.349  -4.859
  166    HA   ASN  24           HA       ASN  24  -5.804  -6.707  -4.755
  167   1HB   ASN  24          2HB       ASN  24  -4.645  -6.167  -6.840
  168   2HB   ASN  24          3HB       ASN  24  -3.805  -7.728  -6.807
  169   1HD2  ASN  24          1HD2      ASN  24  -7.054  -8.037  -5.583
  170   2HD2  ASN  24          2HD2      ASN  24  -7.706  -8.652  -7.083
  171    H    LYS  25           H        LYS  25  -3.015  -8.953  -4.509
  172    HA   LYS  25           HA       LYS  25  -4.410 -11.326  -4.260
  173   1HB   LYS  25          2HB       LYS  25  -1.783 -10.567  -3.870
  174   2HB   LYS  25          3HB       LYS  25  -2.239 -11.055  -2.241
  175   1HG   LYS  25          2HG       LYS  25  -2.470 -12.706  -4.803
  176   2HG   LYS  25          3HG       LYS  25  -1.259 -12.911  -3.532
  177   1HD   LYS  25          2HD       LYS  25  -3.123 -13.423  -1.907
  178   2HD   LYS  25          3HD       LYS  25  -4.266 -13.355  -3.263
  179   1HE   LYS  25          2HE       LYS  25  -2.991 -15.166  -4.426
  180   2HE   LYS  25          3HE       LYS  25  -1.960 -15.327  -2.993
  181   1HZ   LYS  25          1HZ       LYS  25  -3.750 -16.920  -3.003
  182   2HZ   LYS  25          2HZ       LYS  25  -3.943 -15.895  -1.733
  183   3HZ   LYS  25          3HZ       LYS  25  -4.884 -15.735  -3.072
  184    H    LEU  26           H        LEU  26  -4.135  -8.775  -1.799
  185    HA   LEU  26           HA       LEU  26  -5.702 -10.175   0.247
  186   1HB   LEU  26          2HB       LEU  26  -4.101  -8.423   0.784
  187   2HB   LEU  26          3HB       LEU  26  -4.975  -7.258  -0.182
  188    HG   LEU  26           HG       LEU  26  -5.440  -6.593   1.858
  189   1HD1  LEU  26          1HD1      LEU  26  -7.757  -6.827   2.296
  190   2HD1  LEU  26          2HD1      LEU  26  -7.578  -7.034   0.547
  191   3HD1  LEU  26          3HD1      LEU  26  -7.838  -8.447   1.593
  192   1HD2  LEU  26          1HD2      LEU  26  -6.073  -7.916   3.781
  193   2HD2  LEU  26          2HD2      LEU  26  -6.007  -9.423   2.827
  194   3HD2  LEU  26          3HD2      LEU  26  -4.528  -8.488   3.135
  195    H    GLY  27           H        GLY  27  -6.339  -7.565  -2.155
  196   1HA   GLY  27          2HA       GLY  27  -8.051  -7.440  -3.686
  197   2HA   GLY  27          3HA       GLY  27  -8.817  -8.866  -2.979
  198    H    GLY  28           H        GLY  28  -9.338  -8.221  -0.445
  199   1HA   GLY  28          2HA       GLY  28 -11.572  -6.372  -0.546
  200   2HA   GLY  28          3HA       GLY  28 -10.895  -7.161   0.885
  201    H    VAL  29           H        VAL  29  -9.796  -4.748  -1.540
  202    HA   VAL  29           HA       VAL  29  -9.393  -2.693   0.544
  203    HB   VAL  29           HB       VAL  29  -7.067  -2.245  -0.363
  204   1HG1  VAL  29          1HG1      VAL  29  -7.332  -3.505   1.805
  205   2HG1  VAL  29          2HG1      VAL  29  -7.245  -5.004   0.864
  206   3HG1  VAL  29          3HG1      VAL  29  -5.865  -3.943   0.892
  207   1HG2  VAL  29          1HG2      VAL  29  -5.858  -3.944  -1.575
  208   2HG2  VAL  29          2HG2      VAL  29  -7.207  -5.096  -1.430
  209   3HG2  VAL  29          3HG2      VAL  29  -7.363  -3.673  -2.473
  210    H    LYS  30           H        LYS  30  -9.133  -0.521  -0.480
  211    HA   LYS  30           HA       LYS  30  -8.579  -0.686  -3.291
  212   1HB   LYS  30          2HB       LYS  30 -10.946   0.885  -2.304
  213   2HB   LYS  30          3HB       LYS  30  -9.906   1.613  -3.527
  214   1HG   LYS  30          2HG       LYS  30 -11.332  -1.059  -3.821
  215   2HG   LYS  30          3HG       LYS  30 -11.810   0.483  -4.489
  216   1HD   LYS  30          2HD       LYS  30 -10.812  -0.241  -6.352
  217   2HD   LYS  30          3HD       LYS  30  -9.408   0.522  -5.637
  218   1HE   LYS  30          2HE       LYS  30  -9.106  -1.728  -6.774
  219   2HE   LYS  30          3HE       LYS  30  -8.365  -1.588  -5.195
  220   1HZ   LYS  30          1HZ       LYS  30 -10.983  -2.867  -5.672
  221   2HZ   LYS  30          2HZ       LYS  30  -9.550  -3.664  -5.508
  222   3HZ   LYS  30          3HZ       LYS  30 -10.145  -2.816  -4.249
  223    H    TYR  31           H        TYR  31  -7.320   1.116  -3.991
  224    HA   TYR  31           HA       TYR  31  -6.073   2.634  -1.886
  225   1HB   TYR  31          2HB       TYR  31  -3.885   1.466  -2.238
  226   2HB   TYR  31          3HB       TYR  31  -5.099   0.500  -1.403
  227    HD1  TYR  31           HD1      TYR  31  -2.894   0.643  -4.273
  228    HD2  TYR  31           HD2      TYR  31  -6.280  -1.380  -2.557
  229    HE1  TYR  31           HE1      TYR  31  -2.693  -1.135  -5.968
  230    HE2  TYR  31           HE2      TYR  31  -6.118  -3.134  -4.319
  231    HH   TYR  31           HH       TYR  31  -3.677  -3.026  -6.906
  232    H    ASP  32           H        ASP  32  -5.184   4.442  -2.755
  233    HA   ASP  32           HA       ASP  32  -4.952   4.548  -5.727
  234   1HB   ASP  32          2HB       ASP  32  -6.203   6.399  -4.405
  235   2HB   ASP  32          3HB       ASP  32  -4.581   6.967  -3.962
  236    H    ILE  33           H        ILE  33  -2.927   5.588  -6.495
  237    HA   ILE  33           HA       ILE  33  -0.625   4.202  -5.140
  238    HB   ILE  33           HB       ILE  33  -1.953   3.877  -7.835
  239   1HG1  ILE  33          2HG1      ILE  33  -1.130   1.837  -5.725
  240   2HG1  ILE  33          3HG1      ILE  33  -2.743   2.569  -5.761
  241   1HG2  ILE  33          1HG2      ILE  33   0.334   3.853  -8.417
  242   2HG2  ILE  33          2HG2      ILE  33   0.784   2.902  -6.979
  243   3HG2  ILE  33          3HG2      ILE  33  -0.143   2.168  -8.314
  244   1HD1  ILE  33          1HD1      ILE  33  -1.739   0.532  -7.671
  245   2HD1  ILE  33          2HD1      ILE  33  -3.363   0.800  -6.978
  246   3HD1  ILE  33          3HD1      ILE  33  -2.811   1.809  -8.293
  247    H    ASP  34           H        ASP  34   0.149   6.248  -4.590
  248    HA   ASP  34           HA       ASP  34   0.539   8.279  -6.591
  249   1HB   ASP  34          2HB       ASP  34   1.924   8.240  -3.921
  250   2HB   ASP  34          3HB       ASP  34   1.329   9.593  -4.884
  251    H    LEU  35           H        LEU  35   1.911   7.483  -8.250
  252    HA   LEU  35           HA       LEU  35   4.383   6.120  -7.694
  253   1HB   LEU  35          2HB       LEU  35   3.138   7.340 -10.145
  254   2HB   LEU  35          3HB       LEU  35   4.883   7.132 -10.157
  255    HG   LEU  35           HG       LEU  35   3.673   5.319 -11.256
  256   1HD1  LEU  35          1HD1      LEU  35   4.877   3.392 -10.168
  257   2HD1  LEU  35          2HD1      LEU  35   5.898   4.796 -10.487
  258   3HD1  LEU  35          3HD1      LEU  35   5.324   4.471  -8.848
  259   1HD2  LEU  35          1HD2      LEU  35   2.674   4.522  -8.507
  260   2HD2  LEU  35          2HD2      LEU  35   1.696   5.315  -9.766
  261   3HD2  LEU  35          3HD2      LEU  35   2.375   3.708 -10.065
  262    HA   PRO  36           HA       PRO  36   6.718  10.219  -8.601
  263   1HB   PRO  36          2HB       PRO  36   5.347  12.616  -8.169
  264   2HB   PRO  36          3HB       PRO  36   5.617  11.850  -9.753
  265   1HG   PRO  36          2HG       PRO  36   3.177  11.634  -7.978
  266   2HG   PRO  36          3HG       PRO  36   3.232  11.943  -9.738
  267   1HD   PRO  36          2HD       PRO  36   2.717   9.499  -8.828
  268   2HD   PRO  36          3HD       PRO  36   3.855   9.679 -10.190
  269    H    ASN  37           H        ASN  37   4.096  10.257  -6.189
  270    HA   ASN  37           HA       ASN  37   5.850  11.480  -4.152
  271   1HB   ASN  37          2HB       ASN  37   3.050  10.400  -3.779
  272   2HB   ASN  37          3HB       ASN  37   3.921  11.513  -2.737
  273   1HD2  ASN  37          1HD2      ASN  37   4.641  13.661  -3.838
  274   2HD2  ASN  37          2HD2      ASN  37   3.473  14.355  -4.951
  275    H    LYS  38           H        LYS  38   5.414   8.339  -5.368
  276    HA   LYS  38           HA       LYS  38   5.699   6.260  -4.617
  277   1HB   LYS  38          2HB       LYS  38   7.769   7.719  -2.911
  278   2HB   LYS  38          3HB       LYS  38   7.604   5.983  -3.034
  279   1HG   LYS  38          2HG       LYS  38   9.026   6.001  -4.702
  280   2HG   LYS  38          3HG       LYS  38   7.737   6.662  -5.711
  281   1HD   LYS  38          2HD       LYS  38   8.551   8.905  -5.345
  282   2HD   LYS  38          3HD       LYS  38   9.694   8.385  -4.098
  283   1HE   LYS  38          2HE       LYS  38   9.774   7.377  -6.977
  284   2HE   LYS  38          3HE       LYS  38  10.663   8.805  -6.457
  285   1HZ   LYS  38          1HZ       LYS  38  11.130   6.190  -5.115
  286   2HZ   LYS  38          2HZ       LYS  38  11.953   6.637  -6.447
  287   3HZ   LYS  38          3HZ       LYS  38  12.026   7.523  -5.065
  288    H    LYS  39           H        LYS  39   3.301   6.409  -3.675
  289    HA   LYS  39           HA       LYS  39   3.478   5.592  -0.875
  290   1HB   LYS  39          2HB       LYS  39   1.639   7.837  -1.843
  291   2HB   LYS  39          3HB       LYS  39   1.631   7.029  -0.321
  292   1HG   LYS  39          2HG       LYS  39   4.146   7.986  -0.160
  293   2HG   LYS  39          3HG       LYS  39   3.506   9.123  -1.359
  294   1HD   LYS  39          2HD       LYS  39   1.543   9.532   0.189
  295   2HD   LYS  39          3HD       LYS  39   2.310   8.441   1.361
  296   1HE   LYS  39          2HE       LYS  39   4.300   9.981   1.439
  297   2HE   LYS  39          3HE       LYS  39   3.423  11.104   0.374
  298   1HZ   LYS  39          1HZ       LYS  39   1.639  11.098   2.114
  299   2HZ   LYS  39          2HZ       LYS  39   2.517  10.188   3.041
  300   3HZ   LYS  39          3HZ       LYS  39   3.075  11.720   2.698
  301    H    VAL  40           H        VAL  40   1.423   4.688  -0.187
  302    HA   VAL  40           HA       VAL  40  -0.466   3.985  -2.355
  303    HB   VAL  40           HB       VAL  40   0.077   2.319   0.146
  304   1HG1  VAL  40          1HG1      VAL  40  -2.213   2.295  -0.819
  305   2HG1  VAL  40          2HG1      VAL  40  -1.541   1.817  -2.390
  306   3HG1  VAL  40          3HG1      VAL  40  -1.405   0.719  -1.000
  307   1HG2  VAL  40          1HG2      VAL  40   0.791   1.644  -2.715
  308   2HG2  VAL  40          2HG2      VAL  40   1.976   2.115  -1.465
  309   3HG2  VAL  40          3HG2      VAL  40   1.032   0.630  -1.277
  310    H    CYS  41           H        CYS  41  -2.396   4.909  -1.900
  311    HA   CYS  41           HA       CYS  41  -3.006   5.819   0.910
  312   1HB   CYS  41          2HB       CYS  41  -4.176   6.695  -1.772
  313   2HB   CYS  41          3HB       CYS  41  -4.658   7.252  -0.165
  314    HG   CYS  41           HG       CYS  41  -1.790   7.673  -1.848
  315    H    ILE  42           H        ILE  42  -3.607   3.801   1.718
  316    HA   ILE  42           HA       ILE  42  -5.543   2.307   0.216
  317    HB   ILE  42           HB       ILE  42  -3.971   1.985   2.764
  318   1HG1  ILE  42          2HG1      ILE  42  -4.259  -0.345   1.045
  319   2HG1  ILE  42          3HG1      ILE  42  -3.608   1.020   0.198
  320   1HG2  ILE  42          1HG2      ILE  42  -6.202   1.298   3.532
  321   2HG2  ILE  42          2HG2      ILE  42  -6.301   0.142   2.183
  322   3HG2  ILE  42          3HG2      ILE  42  -5.066  -0.022   3.456
  323   1HD1  ILE  42          1HD1      ILE  42  -2.425   0.074   2.826
  324   2HD1  ILE  42          2HD1      ILE  42  -1.849  -0.467   1.262
  325   3HD1  ILE  42          3HD1      ILE  42  -1.740   1.246   1.694
  326    H    GLU  43           H        GLU  43  -7.705   1.874   0.798
  327    HA   GLU  43           HA       GLU  43  -8.574   2.729   3.434
  328   1HB   GLU  43          2HB       GLU  43  -9.319   4.595   2.046
  329   2HB   GLU  43          3HB       GLU  43 -10.175   3.502   0.947
  330   1HG   GLU  43          2HG       GLU  43 -11.803   2.938   2.626
  331   2HG   GLU  43          3HG       GLU  43 -10.789   3.583   3.928
  332    H    SER  44           H        SER  44  -9.860   1.134   4.364
  333    HA   SER  44           HA       SER  44 -11.218  -0.814   2.742
  334   1HB   SER  44          2HB       SER  44  -8.872  -1.704   2.593
  335   2HB   SER  44          3HB       SER  44  -8.835  -1.822   4.363
  336    HG   SER  44           HG       SER  44  -9.715  -3.678   2.768
  337    H    GLU  45           H        GLU  45 -11.929  -2.625   4.218
  338    HA   GLU  45           HA       GLU  45 -12.789  -1.703   6.920
  339   1HB   GLU  45          2HB       GLU  45 -13.468  -4.236   5.353
  340   2HB   GLU  45          3HB       GLU  45 -14.102  -3.782   6.942
  341   1HG   GLU  45          2HG       GLU  45 -15.145  -1.756   5.950
  342   2HG   GLU  45          3HG       GLU  45 -14.544  -2.224   4.349
  343    H    HIS  46           H        HIS  46 -10.533  -3.778   5.124
  344    HA   HIS  46           HA       HIS  46  -9.704  -5.446   7.326
  345   1HB   HIS  46          2HB       HIS  46  -8.405  -4.605   4.716
  346   2HB   HIS  46          3HB       HIS  46  -7.570  -5.601   5.909
  347    HD1  HIS  46           1HD      HIS  46  -7.840  -8.109   5.635
  348    HD2  HIS  46           2HD      HIS  46 -10.699  -5.799   3.601
  349    HE1  HIS  46           1HE      HIS  46  -9.045  -9.679   4.034
  350    H    SER  47           H        SER  47  -8.176  -5.090   8.879
  351    HA   SER  47           HA       SER  47  -7.714  -2.431   9.729
  352   1HB   SER  47          2HB       SER  47  -7.775  -4.312  11.307
  353   2HB   SER  47          3HB       SER  47  -6.368  -5.046  10.517
  354    HG   SER  47           HG       SER  47  -6.421  -2.595  11.964
  355    H    MET  48           H        MET  48  -5.849  -1.221   9.903
  356    HA   MET  48           HA       MET  48  -3.807  -1.157   8.006
  357   1HB   MET  48          2HB       MET  48  -2.514   0.137   9.493
  358   2HB   MET  48          3HB       MET  48  -4.184   0.694   9.528
  359   1HG   MET  48          2HG       MET  48  -3.054  -1.186  11.584
  360   2HG   MET  48          3HG       MET  48  -2.908   0.565  11.723
  361   1HE   MET  48          1HE       MET  48  -3.911   0.118  14.199
  362   2HE   MET  48          2HE       MET  48  -5.530  -0.571  14.473
  363   3HE   MET  48          3HE       MET  48  -4.228  -1.597  13.826
  364    H    ASP  49           H        ASP  49  -4.124  -3.298  10.849
  365    HA   ASP  49           HA       ASP  49  -1.496  -4.403  10.933
  366   1HB   ASP  49          2HB       ASP  49  -2.858  -5.164  12.659
  367   2HB   ASP  49          3HB       ASP  49  -4.286  -5.313  11.636
  368    H    THR  50           H        THR  50  -4.360  -5.686   9.261
  369    HA   THR  50           HA       THR  50  -2.972  -7.746   8.027
  370    HB   THR  50           HB       THR  50  -5.598  -6.616   7.016
  371    HG1  THR  50           1HG      THR  50  -4.981  -7.585   9.603
  372   1HG2  THR  50          1HG2      THR  50  -4.647  -9.447   7.662
  373   2HG2  THR  50          2HG2      THR  50  -6.232  -9.010   6.998
  374   3HG2  THR  50          3HG2      THR  50  -4.762  -8.743   6.032
  375    H    LEU  51           H        LEU  51  -3.982  -4.517   6.835
  376    HA   LEU  51           HA       LEU  51  -2.927  -4.690   4.201
  377   1HB   LEU  51          2HB       LEU  51  -3.339  -2.479   6.214
  378   2HB   LEU  51          3HB       LEU  51  -2.517  -2.153   4.721
  379    HG   LEU  51           HG       LEU  51  -4.983  -1.769   5.006
  380   1HD1  LEU  51          1HD1      LEU  51  -4.013  -3.425   2.626
  381   2HD1  LEU  51          2HD1      LEU  51  -5.270  -2.168   2.538
  382   3HD1  LEU  51          3HD1      LEU  51  -3.586  -1.736   2.897
  383   1HD2  LEU  51          1HD2      LEU  51  -5.869  -3.921   5.751
  384   2HD2  LEU  51          2HD2      LEU  51  -6.539  -3.474   4.188
  385   3HD2  LEU  51          3HD2      LEU  51  -5.284  -4.716   4.274
  386    H    LEU  52           H        LEU  52  -1.309  -3.417   7.191
  387    HA   LEU  52           HA       LEU  52   1.263  -3.042   6.264
  388   1HB   LEU  52          2HB       LEU  52   0.158  -3.806   8.903
  389   2HB   LEU  52          3HB       LEU  52   1.719  -4.505   8.553
  390    HG   LEU  52           HG       LEU  52   2.434  -2.056   7.922
  391   1HD1  LEU  52          1HD1      LEU  52   0.134  -1.591   9.898
  392   2HD1  LEU  52          2HD1      LEU  52   1.285  -0.381   9.313
  393   3HD1  LEU  52          3HD1      LEU  52   0.102  -1.093   8.201
  394   1HD2  LEU  52          1HD2      LEU  52   1.912  -3.094  10.712
  395   2HD2  LEU  52          2HD2      LEU  52   3.347  -3.411   9.706
  396   3HD2  LEU  52          3HD2      LEU  52   3.039  -1.768  10.316
  397    H    ALA  53           H        ALA  53   0.078  -6.173   7.568
  398    HA   ALA  53           HA       ALA  53   2.372  -7.673   7.006
  399   1HB   ALA  53          1HB       ALA  53   0.897  -9.649   7.176
  400   2HB   ALA  53          2HB       ALA  53   0.500  -8.450   8.425
  401   3HB   ALA  53          3HB       ALA  53  -0.536  -8.614   6.992
  402    H    THR  54           H        THR  54  -0.489  -7.118   4.887
  403    HA   THR  54           HA       THR  54   0.429  -8.664   2.709
  404    HB   THR  54           HB       THR  54  -1.363  -6.189   2.787
  405    HG1  THR  54           1HG      THR  54  -2.173  -7.793   4.077
  406   1HG2  THR  54          1HG2      THR  54  -1.153  -8.381   0.708
  407   2HG2  THR  54          2HG2      THR  54  -2.329  -7.049   0.759
  408   3HG2  THR  54          3HG2      THR  54  -0.621  -6.689   0.502
  409    H    LEU  55           H        LEU  55   0.825  -5.118   3.406
  410    HA   LEU  55           HA       LEU  55   1.961  -4.651   0.875
  411   1HB   LEU  55          2HB       LEU  55   0.833  -3.157   3.000
  412   2HB   LEU  55          3HB       LEU  55   2.467  -2.533   2.827
  413    HG   LEU  55           HG       LEU  55   0.276  -2.691   0.772
  414   1HD1  LEU  55          1HD1      LEU  55   1.793  -0.336   2.012
  415   2HD1  LEU  55          2HD1      LEU  55   0.449  -0.226   0.869
  416   3HD1  LEU  55          3HD1      LEU  55   0.178  -0.876   2.497
  417   1HD2  LEU  55          1HD2      LEU  55   3.228  -2.041   0.476
  418   2HD2  LEU  55          2HD2      LEU  55   2.211  -3.085  -0.538
  419   3HD2  LEU  55          3HD2      LEU  55   2.019  -1.331  -0.611
  420    H    LYS  56           H        LYS  56   3.315  -5.314   4.066
  421    HA   LYS  56           HA       LYS  56   6.052  -4.847   3.615
  422   1HB   LYS  56          2HB       LYS  56   4.380  -6.552   5.407
  423   2HB   LYS  56          3HB       LYS  56   5.988  -7.170   5.110
  424   1HG   LYS  56          2HG       LYS  56   5.933  -5.780   7.074
  425   2HG   LYS  56          3HG       LYS  56   7.047  -5.154   5.850
  426   1HD   LYS  56          2HD       LYS  56   5.281  -3.447   5.210
  427   2HD   LYS  56          3HD       LYS  56   4.274  -4.063   6.531
  428   1HE   LYS  56          2HE       LYS  56   5.960  -3.447   8.188
  429   2HE   LYS  56          3HE       LYS  56   7.122  -3.003   6.926
  430   1HZ   LYS  56          1HZ       LYS  56   5.824  -1.131   6.348
  431   2HZ   LYS  56          2HZ       LYS  56   4.570  -1.593   7.324
  432   3HZ   LYS  56          3HZ       LYS  56   6.009  -1.122   7.959
  433    H    LYS  57           H        LYS  57   4.038  -7.389   2.147
  434    HA   LYS  57           HA       LYS  57   6.200  -9.107   1.420
  435   1HB   LYS  57          2HB       LYS  57   3.600  -8.613  -0.057
  436   2HB   LYS  57          3HB       LYS  57   4.703  -9.971  -0.320
  437   1HG   LYS  57          2HG       LYS  57   4.410 -10.681   2.055
  438   2HG   LYS  57          3HG       LYS  57   3.221  -9.409   2.293
  439   1HD   LYS  57          2HD       LYS  57   3.008 -11.822   0.449
  440   2HD   LYS  57          3HD       LYS  57   2.079 -11.476   1.922
  441   1HE   LYS  57          2HE       LYS  57   1.259  -9.339   0.675
  442   2HE   LYS  57          3HE       LYS  57   1.919 -10.074  -0.790
  443   1HZ   LYS  57          1HZ       LYS  57  -0.398 -10.503  -0.539
  444   2HZ   LYS  57          2HZ       LYS  57   0.422 -11.927  -0.410
  445   3HZ   LYS  57          3HZ       LYS  57  -0.187 -11.192   0.937
  446    H    THR  58           H        THR  58   5.356  -5.945   0.168
  447    HA   THR  58           HA       THR  58   6.797  -6.139  -2.399
  448    HB   THR  58           HB       THR  58   6.521  -3.833  -2.508
  449    HG1  THR  58           1HG      THR  58   5.620  -3.752   0.179
  450   1HG2  THR  58          1HG2      THR  58   4.126  -3.526  -2.063
  451   2HG2  THR  58          2HG2      THR  58   4.482  -5.084  -2.850
  452   3HG2  THR  58          3HG2      THR  58   4.083  -5.004  -1.123
  453    H    GLY  59           H        GLY  59   7.641  -5.671   0.962
  454   1HA   GLY  59          2HA       GLY  59   9.480  -5.205   2.030
  455   2HA   GLY  59          3HA       GLY  59  10.365  -6.121   0.781
  456    H    LYS  60           H        LYS  60   8.556  -3.118   0.266
  457    HA   LYS  60           HA       LYS  60  10.955  -1.661  -0.660
  458   1HB   LYS  60          2HB       LYS  60   8.092  -0.780  -0.227
  459   2HB   LYS  60          3HB       LYS  60   9.259   0.091  -1.186
  460   1HG   LYS  60          2HG       LYS  60   8.188  -2.692  -1.838
  461   2HG   LYS  60          3HG       LYS  60   7.634  -1.206  -2.588
  462   1HD   LYS  60          2HD       LYS  60  10.352  -2.570  -2.832
  463   2HD   LYS  60          3HD       LYS  60   9.103  -2.387  -4.066
  464   1HE   LYS  60          2HE       LYS  60   9.280   0.159  -3.657
  465   2HE   LYS  60          3HE       LYS  60  10.773  -0.146  -2.743
  466   1HZ   LYS  60          1HZ       LYS  60  10.384  -0.575  -5.631
  467   2HZ   LYS  60          2HZ       LYS  60  11.238   0.572  -4.862
  468   3HZ   LYS  60          3HZ       LYS  60  11.746  -1.002  -4.776
  469    H    THR  61           H        THR  61  10.823   0.819   0.205
  470    HA   THR  61           HA       THR  61  11.127   0.934   2.996
  471    HB   THR  61           HB       THR  61  10.547   3.265   1.246
  472    HG1  THR  61           1HG      THR  61  12.626   3.072   0.355
  473   1HG2  THR  61          1HG2      THR  61  11.243   3.656   3.611
  474   2HG2  THR  61          2HG2      THR  61  12.743   2.750   3.304
  475   3HG2  THR  61          3HG2      THR  61  12.441   4.288   2.466
  476    H    VAL  62           H        VAL  62   8.736  -0.285   2.912
  477    HA   VAL  62           HA       VAL  62   6.557   1.610   2.624
  478    HB   VAL  62           HB       VAL  62   6.187  -0.296   1.583
  479   1HG1  VAL  62          1HG1      VAL  62   6.696  -1.874   4.134
  480   2HG1  VAL  62          2HG1      VAL  62   5.916  -2.539   2.684
  481   3HG1  VAL  62          3HG1      VAL  62   7.587  -1.980   2.602
  482   1HG2  VAL  62          1HG2      VAL  62   4.268   0.730   2.820
  483   2HG2  VAL  62          2HG2      VAL  62   4.060  -0.970   2.379
  484   3HG2  VAL  62          3HG2      VAL  62   4.439  -0.540   4.053
  485    H    SER  63           H        SER  63   6.699   3.053   4.168
  486    HA   SER  63           HA       SER  63   6.478   2.273   7.044
  487   1HB   SER  63          2HB       SER  63   6.762   4.774   7.381
  488   2HB   SER  63          3HB       SER  63   8.157   3.903   6.712
  489    HG   SER  63           HG       SER  63   7.839   5.733   5.485
  490    H    TYR  64           H        TYR  64   4.689   2.990   8.265
  491    HA   TYR  64           HA       TYR  64   2.184   3.404   6.700
  492   1HB   TYR  64          2HB       TYR  64   2.222   1.286   7.826
  493   2HB   TYR  64          3HB       TYR  64   2.854   2.009   9.302
  494    HD1  TYR  64           HD1      TYR  64  -0.107   2.759   7.056
  495    HD2  TYR  64           HD2      TYR  64   1.332   1.983  11.052
  496    HE1  TYR  64           HE1      TYR  64  -2.302   3.385   7.993
  497    HE2  TYR  64           HE2      TYR  64  -0.921   2.466  11.950
  498    HH   TYR  64           HH       TYR  64  -3.517   3.754   9.902
  499    H    LEU  65           H        LEU  65   0.904   5.158   7.234
  500    HA   LEU  65           HA       LEU  65   1.935   7.045   9.297
  501   1HB   LEU  65          2HB       LEU  65   0.735   7.600   6.600
  502   2HB   LEU  65          3HB       LEU  65   0.954   8.800   7.870
  503    HG   LEU  65           HG       LEU  65   3.462   7.837   7.915
  504   1HD1  LEU  65          1HD1      LEU  65   3.143   6.118   6.219
  505   2HD1  LEU  65          2HD1      LEU  65   2.544   7.317   5.060
  506   3HD1  LEU  65          3HD1      LEU  65   4.235   7.366   5.626
  507   1HD2  LEU  65          1HD2      LEU  65   4.059   9.678   6.383
  508   2HD2  LEU  65          2HD2      LEU  65   2.344   9.828   5.924
  509   3HD2  LEU  65          3HD2      LEU  65   2.849  10.134   7.602
  510    H    GLY  66           H        GLY  66  -0.032   8.723   9.696
  511   1HA   GLY  66          2HA       GLY  66  -1.671   7.483  11.517
  512   2HA   GLY  66          3HA       GLY  66  -1.986   9.075  10.812
  513    H    LEU  67           H        LEU  67  -3.976   7.317  11.711
  514    HA   LEU  67           HA       LEU  67  -5.269   6.113   9.363
  515   1HB   LEU  67          2HB       LEU  67  -4.834   4.792  11.406
  516   2HB   LEU  67          3HB       LEU  67  -5.772   5.917  12.377
  517    HG   LEU  67           HG       LEU  67  -7.145   4.735  10.001
  518   1HD1  LEU  67          1HD1      LEU  67  -7.631   2.614  11.163
  519   2HD1  LEU  67          2HD1      LEU  67  -5.890   2.780  10.889
  520   3HD1  LEU  67          3HD1      LEU  67  -6.559   3.083  12.501
  521   1HD2  LEU  67          1HD2      LEU  67  -8.287   6.250  11.729
  522   2HD2  LEU  67          2HD2      LEU  67  -9.062   4.671  11.519
  523   3HD2  LEU  67          3HD2      LEU  67  -8.022   4.979  12.924
  524    H    GLU  68           H        GLU  68  -7.444   6.737   8.817
  525    HA   GLU  68           HA       GLU  68  -8.769   8.822  10.482
  526   1HB   GLU  68          2HB       GLU  68  -9.059   8.490   7.467
  527   2HB   GLU  68          3HB       GLU  68  -9.995   9.560   8.506
  528   1HG   GLU  68          2HG       GLU  68  -7.917  10.849   9.010
  529   2HG   GLU  68          3HG       GLU  68  -7.034   9.824   7.863
  Start of MODEL   22
    1   1H    MET   1           H1       MET   1 -13.436   3.854   4.187
    2   2H    MET   1           H2       MET   1 -15.078   4.110   4.449
    3   3H    MET   1           H3       MET   1 -14.188   4.807   3.216
    4    HA   MET   1           HA       MET   1 -13.931   6.569   4.388
    5   1HB   MET   1          2HB       MET   1 -14.909   4.967   6.762
    6   2HB   MET   1          3HB       MET   1 -14.311   6.632   6.901
    7   1HG   MET   1          2HG       MET   1 -15.977   7.327   5.171
    8   2HG   MET   1          3HG       MET   1 -16.652   5.694   5.194
    9   1HE   MET   1          1HE       MET   1 -18.175   5.560   8.826
   10   2HE   MET   1          2HE       MET   1 -17.867   4.647   7.330
   11   3HE   MET   1          3HE       MET   1 -16.520   5.059   8.428
   12    HA   PRO   2           HA       PRO   2 -10.276   5.584   7.307
   13   1HB   PRO   2          2HB       PRO   2  -9.504   2.916   7.626
   14   2HB   PRO   2          3HB       PRO   2 -10.587   3.822   8.727
   15   1HG   PRO   2          2HG       PRO   2 -11.303   2.004   6.413
   16   2HG   PRO   2          3HG       PRO   2 -11.957   1.952   8.081
   17   1HD   PRO   2          2HD       PRO   2 -13.336   3.149   6.169
   18   2HD   PRO   2          3HD       PRO   2 -13.135   4.003   7.730
   19    H    LYS   3           H        LYS   3  -8.898   6.485   5.822
   20    HA   LYS   3           HA       LYS   3  -7.832   4.809   3.591
   21   1HB   LYS   3          2HB       LYS   3  -6.896   7.111   2.860
   22   2HB   LYS   3          3HB       LYS   3  -8.516   6.572   2.447
   23   1HG   LYS   3          2HG       LYS   3  -9.460   7.910   4.322
   24   2HG   LYS   3          3HG       LYS   3  -7.815   8.495   4.671
   25   1HD   LYS   3          2HD       LYS   3  -7.696   9.590   2.500
   26   2HD   LYS   3          3HD       LYS   3  -9.158   8.772   1.928
   27   1HE   LYS   3          2HE       LYS   3  -9.535  11.179   2.553
   28   2HE   LYS   3          3HE       LYS   3 -10.584  10.031   3.416
   29   1HZ   LYS   3          1HZ       LYS   3  -9.192  10.214   5.335
   30   2HZ   LYS   3          2HZ       LYS   3  -8.082  11.124   4.560
   31   3HZ   LYS   3          3HZ       LYS   3  -9.492  11.747   4.940
   32    H    HIS   4           H        HIS   4  -6.368   3.620   4.546
   33    HA   HIS   4           HA       HIS   4  -4.558   4.549   6.639
   34   1HB   HIS   4          2HB       HIS   4  -4.564   2.023   4.916
   35   2HB   HIS   4          3HB       HIS   4  -3.646   2.267   6.385
   36    HD1  HIS   4           1HD      HIS   4  -7.374   1.954   5.290
   37    HD2  HIS   4           2HD      HIS   4  -4.734   1.390   8.527
   38    HE1  HIS   4           1HE      HIS   4  -8.653   0.644   7.081
   39    H    GLU   5           H        GLU   5  -2.921   6.067   5.930
   40    HA   GLU   5           HA       GLU   5  -1.912   5.728   3.209
   41   1HB   GLU   5          2HB       GLU   5  -2.124   8.024   4.292
   42   2HB   GLU   5          3HB       GLU   5  -0.799   7.569   5.353
   43   1HG   GLU   5          2HG       GLU   5   0.331   6.962   2.914
   44   2HG   GLU   5          3HG       GLU   5  -0.816   8.193   2.409
   45    H    PHE   6           H        PHE   6  -0.179   4.628   2.646
   46    HA   PHE   6           HA       PHE   6   1.973   3.991   4.608
   47   1HB   PHE   6          2HB       PHE   6   1.006   2.288   2.272
   48   2HB   PHE   6          3HB       PHE   6   2.491   2.006   3.180
   49    HD1  PHE   6           1HD      PHE   6   2.444   0.654   5.157
   50    HD2  PHE   6           2HD      PHE   6  -1.254   2.210   3.563
   51    HE1  PHE   6           1HE      PHE   6   1.165  -0.837   6.623
   52    HE2  PHE   6           2HE      PHE   6  -2.517   0.747   5.091
   53    HZ   PHE   6           HZ       PHE   6  -1.318  -0.765   6.659
   54    H    SER   7           H        SER   7   3.848   4.791   3.999
   55    HA   SER   7           HA       SER   7   3.925   6.099   1.323
   56   1HB   SER   7          2HB       SER   7   4.412   7.393   3.399
   57   2HB   SER   7          3HB       SER   7   5.954   6.525   3.462
   58    HG   SER   7           HG       SER   7   5.706   7.415   0.976
   59    H    VAL   8           H        VAL   8   5.114   5.173  -0.150
   60    HA   VAL   8           HA       VAL   8   6.444   2.555   0.448
   61    HB   VAL   8           HB       VAL   8   4.399   3.151  -1.712
   62   1HG1  VAL   8          1HG1      VAL   8   6.068   1.489  -2.456
   63   2HG1  VAL   8          2HG1      VAL   8   5.759   0.520  -1.004
   64   3HG1  VAL   8          3HG1      VAL   8   4.484   0.756  -2.208
   65   1HG2  VAL   8          1HG2      VAL   8   4.135   1.506   0.818
   66   2HG2  VAL   8          2HG2      VAL   8   3.200   2.944   0.388
   67   3HG2  VAL   8          3HG2      VAL   8   2.983   1.431  -0.506
   68    H    ASP   9           H        ASP   9   8.474   2.879  -0.246
   69    HA   ASP   9           HA       ASP   9   9.249   4.490  -2.512
   70   1HB   ASP   9          2HB       ASP   9  10.843   3.922  -0.838
   71   2HB   ASP   9          3HB       ASP   9  10.582   2.175  -1.101
   72    H    MET  10           H        MET  10   7.421   3.844  -3.806
   73    HA   MET  10           HA       MET  10   8.158   1.600  -5.580
   74   1HB   MET  10          2HB       MET  10   6.000   2.344  -6.834
   75   2HB   MET  10          3HB       MET  10   5.874   1.355  -5.372
   76   1HG   MET  10          2HG       MET  10   5.309   3.308  -4.050
   77   2HG   MET  10          3HG       MET  10   5.506   4.363  -5.463
   78   1HE   MET  10          1HE       MET  10   1.745   4.515  -4.709
   79   2HE   MET  10          2HE       MET  10   3.048   4.307  -3.506
   80   3HE   MET  10          3HE       MET  10   3.298   5.355  -4.909
   81    H    THR  11           H        THR  11   9.979   2.332  -6.408
   82    HA   THR  11           HA       THR  11  10.531   5.030  -6.783
   83    HB   THR  11           HB       THR  11  12.147   2.842  -8.079
   84    HG1  THR  11           1HG      THR  11  11.815   3.033  -5.251
   85   1HG2  THR  11          1HG2      THR  11  13.041   5.158  -7.821
   86   2HG2  THR  11          2HG2      THR  11  12.847   5.025  -6.057
   87   3HG2  THR  11          3HG2      THR  11  13.991   3.968  -6.907
   88    H    CYS  12           HN       CYS  12   9.417   2.476  -8.992
   89    HA   CYS  12           HA       CYS  12   8.845   4.459 -11.063
   90   1HB   CYS  12          2HB       CYS  12   9.771   2.960 -12.823
   91   2HB   CYS  12          3HB       CYS  12  11.014   3.628 -11.768
   92    H    GLY  13           H        GLY  13   7.400   3.409 -12.689
   93   1HA   GLY  13          2HA       GLY  13   5.013   2.713 -11.670
   94   2HA   GLY  13          3HA       GLY  13   5.528   2.203 -13.283
   95    H    GLY  14           H        GLY  14   7.442   0.315 -12.746
   96   1HA   GLY  14          2HA       GLY  14   5.974  -1.991 -12.440
   97   2HA   GLY  14          3HA       GLY  14   7.736  -1.886 -12.223
   98    H    CYS  15           HN       CYS  15   7.543  -0.089  -9.845
   99    HA   CYS  15           HA       CYS  15   7.259  -2.148  -7.821
  100   1HB   CYS  15          2HB       CYS  15   7.435   0.850  -7.606
  101   2HB   CYS  15          3HB       CYS  15   7.594  -0.329  -6.280
  102    H    ALA  16           H        ALA  16   5.211   0.533  -9.074
  103    HA   ALA  16           HA       ALA  16   3.191   0.311  -7.007
  104   1HB   ALA  16          1HB       ALA  16   2.958   1.438  -9.825
  105   2HB   ALA  16          2HB       ALA  16   1.796   1.625  -8.505
  106   3HB   ALA  16          3HB       ALA  16   3.408   2.341  -8.359
  107    H    GLU  17           H        GLU  17   3.647  -1.045 -10.304
  108    HA   GLU  17           HA       GLU  17   1.273  -2.582 -10.443
  109   1HB   GLU  17          2HB       GLU  17   4.053  -3.240 -11.504
  110   2HB   GLU  17          3HB       GLU  17   2.564  -4.041 -11.989
  111   1HG   GLU  17          2HG       GLU  17   1.695  -2.050 -13.009
  112   2HG   GLU  17          3HG       GLU  17   2.962  -1.033 -12.312
  113    H    ALA  18           H        ALA  18   4.496  -3.462  -9.079
  114    HA   ALA  18           HA       ALA  18   3.774  -6.026  -8.152
  115   1HB   ALA  18          1HB       ALA  18   5.703  -5.851  -6.655
  116   2HB   ALA  18          2HB       ALA  18   6.115  -5.165  -8.247
  117   3HB   ALA  18          3HB       ALA  18   5.752  -4.098  -6.871
  118    H    VAL  19           H        VAL  19   3.660  -2.887  -6.361
  119    HA   VAL  19           HA       VAL  19   2.668  -3.834  -3.941
  120    HB   VAL  19           HB       VAL  19   2.306  -1.237  -5.495
  121   1HG1  VAL  19          1HG1      VAL  19   1.622  -0.344  -3.201
  122   2HG1  VAL  19          2HG1      VAL  19   0.419  -1.276  -4.096
  123   3HG1  VAL  19          3HG1      VAL  19   1.348  -2.072  -2.781
  124   1HG2  VAL  19          1HG2      VAL  19   4.619  -2.012  -4.447
  125   2HG2  VAL  19          2HG2      VAL  19   4.029  -0.357  -4.226
  126   3HG2  VAL  19          3HG2      VAL  19   3.847  -1.540  -2.923
  127    H    SER  20           H        SER  20   0.936  -2.780  -6.881
  128    HA   SER  20           HA       SER  20  -1.678  -3.101  -5.904
  129   1HB   SER  20          2HB       SER  20  -0.893  -2.014  -8.098
  130   2HB   SER  20          3HB       SER  20  -0.769  -3.611  -8.801
  131    HG   SER  20           HG       SER  20  -3.173  -2.775  -7.568
  132    H    ARG  21           H        ARG  21   0.309  -5.360  -7.774
  133    HA   ARG  21           HA       ARG  21  -1.369  -7.602  -7.669
  134   1HB   ARG  21          2HB       ARG  21   0.286  -8.403  -8.839
  135   2HB   ARG  21          3HB       ARG  21   1.342  -7.079  -8.398
  136   1HG   ARG  21          2HG       ARG  21   2.325  -8.286  -6.584
  137   2HG   ARG  21          3HG       ARG  21   1.097  -9.552  -6.641
  138   1HD   ARG  21          2HD       ARG  21   3.134 -10.386  -7.699
  139   2HD   ARG  21          3HD       ARG  21   1.829 -10.261  -8.857
  140    HE   ARG  21           HE       ARG  21   2.878  -8.583 -10.019
  141   1HH1  ARG  21          2HH2      ARG  21   4.642  -9.119  -7.020
  142   2HH1  ARG  21          1HH2      ARG  21   6.123  -8.391  -7.562
  143   1HH2  ARG  21          2HH1      ARG  21   4.792  -7.523 -10.755
  144   2HH2  ARG  21          1HH1      ARG  21   6.178  -7.404  -9.727
  145    H    VAL  22           H        VAL  22   0.893  -6.462  -5.123
  146    HA   VAL  22           HA       VAL  22   0.601  -8.741  -3.424
  147    HB   VAL  22           HB       VAL  22   1.960  -6.142  -3.485
  148   1HG1  VAL  22          1HG1      VAL  22   2.173  -5.865  -1.026
  149   2HG1  VAL  22          2HG1      VAL  22   0.646  -5.343  -1.720
  150   3HG1  VAL  22          3HG1      VAL  22   0.752  -6.891  -0.819
  151   1HG2  VAL  22          1HG2      VAL  22   3.065  -8.288  -3.550
  152   2HG2  VAL  22          2HG2      VAL  22   3.615  -7.245  -2.223
  153   3HG2  VAL  22          3HG2      VAL  22   2.526  -8.616  -1.876
  154    H    LEU  23           H        LEU  23  -0.885  -5.520  -3.432
  155    HA   LEU  23           HA       LEU  23  -2.447  -5.954  -1.114
  156   1HB   LEU  23          2HB       LEU  23  -2.168  -3.868  -3.160
  157   2HB   LEU  23          3HB       LEU  23  -3.790  -3.932  -2.570
  158    HG   LEU  23           HG       LEU  23  -1.317  -3.915  -0.772
  159   1HD1  LEU  23          1HD1      LEU  23  -1.631  -1.528  -0.533
  160   2HD1  LEU  23          2HD1      LEU  23  -1.409  -1.883  -2.250
  161   3HD1  LEU  23          3HD1      LEU  23  -3.042  -1.553  -1.614
  162   1HD2  LEU  23          1HD2      LEU  23  -2.892  -3.256   0.968
  163   2HD2  LEU  23          2HD2      LEU  23  -4.181  -3.054  -0.246
  164   3HD2  LEU  23          3HD2      LEU  23  -3.592  -4.669   0.165
  165    H    ASN  24           H        ASN  24  -3.122  -6.284  -4.622
  166    HA   ASN  24           HA       ASN  24  -5.855  -6.997  -4.470
  167   1HB   ASN  24          2HB       ASN  24  -4.882  -6.548  -6.652
  168   2HB   ASN  24          3HB       ASN  24  -3.679  -7.832  -6.434
  169   1HD2  ASN  24          1HD2      ASN  24  -7.254  -7.646  -5.888
  170   2HD2  ASN  24          2HD2      ASN  24  -7.584  -9.127  -6.763
  171    H    LYS  25           H        LYS  25  -2.884  -9.075  -4.221
  172    HA   LYS  25           HA       LYS  25  -4.351 -11.492  -4.049
  173   1HB   LYS  25          2HB       LYS  25  -1.545 -10.591  -3.653
  174   2HB   LYS  25          3HB       LYS  25  -2.038 -11.906  -2.621
  175   1HG   LYS  25          2HG       LYS  25  -1.164 -12.871  -4.655
  176   2HG   LYS  25          3HG       LYS  25  -2.898 -13.151  -4.638
  177   1HD   LYS  25          2HD       LYS  25  -2.597 -10.651  -5.988
  178   2HD   LYS  25          3HD       LYS  25  -1.193 -11.574  -6.480
  179   1HE   LYS  25          2HE       LYS  25  -2.799 -12.043  -8.124
  180   2HE   LYS  25          3HE       LYS  25  -2.864 -13.474  -7.088
  181   1HZ   LYS  25          1HZ       LYS  25  -4.723 -11.162  -7.082
  182   2HZ   LYS  25          2HZ       LYS  25  -5.053 -12.673  -7.617
  183   3HZ   LYS  25          3HZ       LYS  25  -4.812 -12.411  -6.011
  184    H    LEU  26           H        LEU  26  -3.510  -9.150  -1.500
  185    HA   LEU  26           HA       LEU  26  -4.649 -10.605   0.693
  186   1HB   LEU  26          2HB       LEU  26  -3.367  -8.806   1.223
  187   2HB   LEU  26          3HB       LEU  26  -4.071  -7.735   0.057
  188    HG   LEU  26           HG       LEU  26  -4.543  -6.974   2.223
  189   1HD1  LEU  26          1HD1      LEU  26  -6.758  -6.500   2.137
  190   2HD1  LEU  26          2HD1      LEU  26  -6.313  -6.773   0.418
  191   3HD1  LEU  26          3HD1      LEU  26  -7.246  -7.981   1.340
  192   1HD2  LEU  26          1HD2      LEU  26  -6.001  -8.054   3.758
  193   2HD2  LEU  26          2HD2      LEU  26  -6.089  -9.520   2.740
  194   3HD2  LEU  26          3HD2      LEU  26  -4.538  -9.063   3.501
  195    H    GLY  27           H        GLY  27  -6.186  -8.279  -1.627
  196   1HA   GLY  27          2HA       GLY  27  -8.148  -9.370  -2.725
  197   2HA   GLY  27          3HA       GLY  27  -8.777  -9.759  -1.141
  198    H    GLY  28           H        GLY  28  -9.626  -8.115   0.245
  199   1HA   GLY  28          2HA       GLY  28 -11.436  -6.647  -1.460
  200   2HA   GLY  28          3HA       GLY  28 -11.536  -6.879   0.289
  201    H    VAL  29           H        VAL  29  -9.073  -5.364  -1.775
  202    HA   VAL  29           HA       VAL  29  -9.185  -2.913  -0.056
  203    HB   VAL  29           HB       VAL  29  -6.756  -2.692  -0.632
  204   1HG1  VAL  29          1HG1      VAL  29  -7.417  -3.536   1.542
  205   2HG1  VAL  29          2HG1      VAL  29  -7.750  -5.134   0.855
  206   3HG1  VAL  29          3HG1      VAL  29  -6.076  -4.548   0.965
  207   1HG2  VAL  29          1HG2      VAL  29  -6.982  -5.615  -1.507
  208   2HG2  VAL  29          2HG2      VAL  29  -6.740  -4.268  -2.628
  209   3HG2  VAL  29          3HG2      VAL  29  -5.532  -4.626  -1.385
  210    H    LYS  30           H        LYS  30  -9.076  -0.885  -0.956
  211    HA   LYS  30           HA       LYS  30  -8.418  -0.654  -3.759
  212   1HB   LYS  30          2HB       LYS  30 -11.001   0.371  -2.551
  213   2HB   LYS  30          3HB       LYS  30 -10.170   1.382  -3.742
  214   1HG   LYS  30          2HG       LYS  30 -10.806  -1.532  -4.240
  215   2HG   LYS  30          3HG       LYS  30 -11.920  -0.222  -4.667
  216   1HD   LYS  30          2HD       LYS  30 -10.583   0.600  -6.393
  217   2HD   LYS  30          3HD       LYS  30  -9.076   0.094  -5.665
  218   1HE   LYS  30          2HE       LYS  30  -9.482  -1.238  -7.642
  219   2HE   LYS  30          3HE       LYS  30  -9.472  -2.250  -6.191
  220   1HZ   LYS  30          1HZ       LYS  30 -11.277  -2.819  -7.662
  221   2HZ   LYS  30          2HZ       LYS  30 -11.873  -2.251  -6.241
  222   3HZ   LYS  30          3HZ       LYS  30 -11.896  -1.298  -7.584
  223    H    TYR  31           H        TYR  31  -7.256   1.225  -4.157
  224    HA   TYR  31           HA       TYR  31  -6.385   2.755  -1.863
  225   1HB   TYR  31          2HB       TYR  31  -4.009   1.861  -2.269
  226   2HB   TYR  31          3HB       TYR  31  -5.123   0.826  -1.396
  227    HD1  TYR  31           HD1      TYR  31  -6.242  -1.142  -2.474
  228    HD2  TYR  31           HD2      TYR  31  -2.854   0.910  -4.150
  229    HE1  TYR  31           HE1      TYR  31  -6.061  -2.881  -4.224
  230    HE2  TYR  31           HE2      TYR  31  -2.499  -0.981  -5.708
  231    HH   TYR  31           HH       TYR  31  -4.733  -3.762  -5.891
  232    H    ASP  32           H        ASP  32  -5.527   4.663  -2.501
  233    HA   ASP  32           HA       ASP  32  -5.261   5.127  -5.432
  234   1HB   ASP  32          2HB       ASP  32  -6.509   6.840  -4.135
  235   2HB   ASP  32          3HB       ASP  32  -5.058   7.136  -3.158
  236    H    ILE  33           H        ILE  33  -3.218   6.043  -6.159
  237    HA   ILE  33           HA       ILE  33  -0.823   4.915  -4.770
  238    HB   ILE  33           HB       ILE  33  -2.008   4.368  -7.499
  239   1HG1  ILE  33          2HG1      ILE  33  -0.973   2.340  -5.451
  240   2HG1  ILE  33          3HG1      ILE  33  -2.640   2.952  -5.415
  241   1HG2  ILE  33          1HG2      ILE  33  -0.023   3.072  -8.079
  242   2HG2  ILE  33          2HG2      ILE  33   0.376   4.765  -7.852
  243   3HG2  ILE  33          3HG2      ILE  33   0.770   3.595  -6.576
  244   1HD1  ILE  33          1HD1      ILE  33  -1.436   1.296  -7.634
  245   2HD1  ILE  33          2HD1      ILE  33  -2.914   1.026  -6.688
  246   3HD1  ILE  33          3HD1      ILE  33  -2.885   2.303  -7.876
  247    H    ASP  34           H        ASP  34  -0.011   6.956  -4.373
  248    HA   ASP  34           HA       ASP  34   0.379   8.823  -6.670
  249   1HB   ASP  34          2HB       ASP  34  -0.325   9.798  -4.503
  250   2HB   ASP  34          3HB       ASP  34   1.182   9.163  -3.806
  251    H    LEU  35           H        LEU  35   1.790   7.765  -7.878
  252    HA   LEU  35           HA       LEU  35   4.109   6.317  -6.962
  253   1HB   LEU  35          2HB       LEU  35   2.888   7.103  -9.553
  254   2HB   LEU  35          3HB       LEU  35   4.644   7.096  -9.585
  255    HG   LEU  35           HG       LEU  35   3.067   4.735  -8.497
  256   1HD1  LEU  35          1HD1      LEU  35   2.291   5.184 -10.811
  257   2HD1  LEU  35          2HD1      LEU  35   3.976   5.137 -11.380
  258   3HD1  LEU  35          3HD1      LEU  35   3.216   3.682 -10.702
  259   1HD2  LEU  35          1HD2      LEU  35   5.170   3.497  -9.192
  260   2HD2  LEU  35          2HD2      LEU  35   5.875   5.038  -9.685
  261   3HD2  LEU  35          3HD2      LEU  35   5.483   4.754  -7.979
  262    HA   PRO  36           HA       PRO  36   6.605  10.160  -8.420
  263   1HB   PRO  36          2HB       PRO  36   5.343  12.661  -8.102
  264   2HB   PRO  36          3HB       PRO  36   5.665  11.794  -9.630
  265   1HG   PRO  36          2HG       PRO  36   3.142  11.840  -7.997
  266   2HG   PRO  36          3HG       PRO  36   3.306  11.898  -9.772
  267   1HD   PRO  36          2HD       PRO  36   2.613   9.653  -8.521
  268   2HD   PRO  36          3HD       PRO  36   3.755   9.562  -9.887
  269    H    ASN  37           H        ASN  37   4.151  10.577  -5.833
  270    HA   ASN  37           HA       ASN  37   6.289  11.557  -3.985
  271   1HB   ASN  37          2HB       ASN  37   3.298  11.484  -3.522
  272   2HB   ASN  37          3HB       ASN  37   4.515  12.206  -2.494
  273   1HD2  ASN  37          1HD2      ASN  37   2.300  12.982  -4.908
  274   2HD2  ASN  37          2HD2      ASN  37   3.028  14.512  -5.403
  275    H    LYS  38           H        LYS  38   5.325   8.531  -4.863
  276    HA   LYS  38           HA       LYS  38   5.623   6.510  -3.879
  277   1HB   LYS  38          2HB       LYS  38   7.538   8.266  -2.258
  278   2HB   LYS  38          3HB       LYS  38   7.447   6.549  -2.015
  279   1HG   LYS  38          2HG       LYS  38   9.137   6.605  -3.554
  280   2HG   LYS  38          3HG       LYS  38   7.748   6.359  -4.617
  281   1HD   LYS  38          2HD       LYS  38   7.712   8.979  -4.745
  282   2HD   LYS  38          3HD       LYS  38   9.333   8.899  -4.055
  283   1HE   LYS  38          2HE       LYS  38  10.056   7.508  -6.007
  284   2HE   LYS  38          3HE       LYS  38   8.388   7.484  -6.607
  285   1HZ   LYS  38          1HZ       LYS  38  10.121   9.847  -6.398
  286   2HZ   LYS  38          2HZ       LYS  38   9.529   9.148  -7.771
  287   3HZ   LYS  38          3HZ       LYS  38   8.515   9.924  -6.715
  288    H    LYS  39           H        LYS  39   3.166   7.077  -3.256
  289    HA   LYS  39           HA       LYS  39   2.847   6.349  -0.438
  290   1HB   LYS  39          2HB       LYS  39   1.995   8.965  -1.723
  291   2HB   LYS  39          3HB       LYS  39   1.040   8.264  -0.427
  292   1HG   LYS  39          2HG       LYS  39   3.005   8.226   1.023
  293   2HG   LYS  39          3HG       LYS  39   3.997   8.959  -0.268
  294   1HD   LYS  39          2HD       LYS  39   2.413  10.922  -0.295
  295   2HD   LYS  39          3HD       LYS  39   1.626  10.234   1.137
  296   1HE   LYS  39          2HE       LYS  39   4.513  11.207   0.860
  297   2HE   LYS  39          3HE       LYS  39   3.235  11.857   1.908
  298   1HZ   LYS  39          1HZ       LYS  39   4.628  10.524   3.247
  299   2HZ   LYS  39          2HZ       LYS  39   3.250   9.647   3.005
  300   3HZ   LYS  39          3HZ       LYS  39   4.621   9.260   2.184
  301    H    VAL  40           H        VAL  40   1.026   5.258   0.029
  302    HA   VAL  40           HA       VAL  40  -0.883   4.723  -2.152
  303    HB   VAL  40           HB       VAL  40   0.190   2.702  -0.133
  304   1HG1  VAL  40          1HG1      VAL  40  -1.042   1.086  -1.510
  305   2HG1  VAL  40          2HG1      VAL  40  -2.137   2.373  -0.964
  306   3HG1  VAL  40          3HG1      VAL  40  -1.532   2.382  -2.629
  307   1HG2  VAL  40          1HG2      VAL  40   0.820   3.030  -3.090
  308   2HG2  VAL  40          2HG2      VAL  40   1.957   3.240  -1.726
  309   3HG2  VAL  40          3HG2      VAL  40   1.283   1.641  -2.079
  310    H    CYS  41           H        CYS  41  -2.924   5.229  -1.436
  311    HA   CYS  41           HA       CYS  41  -3.418   5.551   1.532
  312   1HB   CYS  41          2HB       CYS  41  -4.663   6.906  -0.888
  313   2HB   CYS  41          3HB       CYS  41  -5.269   7.057   0.772
  314    HG   CYS  41           HG       CYS  41  -3.965   9.215   0.079
  315    H    ILE  42           H        ILE  42  -4.148   3.589   2.150
  316    HA   ILE  42           HA       ILE  42  -5.808   2.148   0.250
  317    HB   ILE  42           HB       ILE  42  -4.725   1.094   2.876
  318   1HG1  ILE  42          2HG1      ILE  42  -3.471   1.015   0.116
  319   2HG1  ILE  42          3HG1      ILE  42  -2.868   1.912   1.530
  320   1HG2  ILE  42          1HG2      ILE  42  -6.564  -0.185   1.967
  321   2HG2  ILE  42          2HG2      ILE  42  -5.883  -0.155   0.342
  322   3HG2  ILE  42          3HG2      ILE  42  -5.105  -1.103   1.595
  323   1HD1  ILE  42          1HD1      ILE  42  -2.939  -1.095   1.366
  324   2HD1  ILE  42          2HD1      ILE  42  -1.561  -0.039   1.097
  325   3HD1  ILE  42          3HD1      ILE  42  -2.286  -0.104   2.689
  326    H    GLU  43           H        GLU  43  -7.923   2.373   0.286
  327    HA   GLU  43           HA       GLU  43  -9.285   3.194   2.796
  328   1HB   GLU  43          2HB       GLU  43  -9.224   4.519   0.461
  329   2HB   GLU  43          3HB       GLU  43 -10.616   3.482   0.125
  330   1HG   GLU  43          2HG       GLU  43 -10.291   5.198   2.648
  331   2HG   GLU  43          3HG       GLU  43 -11.099   5.750   1.173
  332    H    SER  44           H        SER  44  -9.707   1.235   3.781
  333    HA   SER  44           HA       SER  44 -11.720  -0.433   2.593
  334   1HB   SER  44          2HB       SER  44 -10.414  -2.538   2.528
  335   2HB   SER  44          3HB       SER  44  -9.775  -1.338   1.401
  336    HG   SER  44           HG       SER  44  -8.301  -0.776   3.208
  337    H    GLU  45           H        GLU  45 -12.345  -2.201   4.113
  338    HA   GLU  45           HA       GLU  45 -12.191  -1.299   6.878
  339   1HB   GLU  45          2HB       GLU  45 -13.775  -3.159   7.263
  340   2HB   GLU  45          3HB       GLU  45 -14.319  -1.990   6.056
  341   1HG   GLU  45          2HG       GLU  45 -13.721  -3.536   4.228
  342   2HG   GLU  45          3HG       GLU  45 -13.037  -4.676   5.406
  343    H    HIS  46           H        HIS  46 -10.069  -3.142   5.036
  344    HA   HIS  46           HA       HIS  46  -9.487  -5.299   6.868
  345   1HB   HIS  46          2HB       HIS  46  -7.904  -3.927   4.670
  346   2HB   HIS  46          3HB       HIS  46  -7.227  -5.222   5.659
  347    HD1  HIS  46           1HD      HIS  46  -8.272  -7.699   5.335
  348    HD2  HIS  46           2HD      HIS  46  -9.524  -4.687   2.686
  349    HE1  HIS  46           1HE      HIS  46  -9.268  -8.882   3.308
  350    H    SER  47           H        SER  47  -8.108  -5.336   8.619
  351    HA   SER  47           HA       SER  47  -7.662  -2.897  10.007
  352   1HB   SER  47          2HB       SER  47  -7.904  -5.059  11.158
  353   2HB   SER  47          3HB       SER  47  -6.380  -5.630  10.447
  354    HG   SER  47           HG       SER  47  -6.128  -4.774  12.574
  355    H    MET  48           H        MET  48  -5.747  -1.815  10.516
  356    HA   MET  48           HA       MET  48  -3.855  -1.416   8.485
  357   1HB   MET  48          2HB       MET  48  -2.696   0.003   9.923
  358   2HB   MET  48          3HB       MET  48  -4.401   0.137  10.393
  359   1HG   MET  48          2HG       MET  48  -3.899  -1.641  12.131
  360   2HG   MET  48          3HG       MET  48  -2.173  -1.345  11.795
  361   1HE   MET  48          1HE       MET  48  -1.735  -0.880  14.343
  362   2HE   MET  48          2HE       MET  48  -2.664   0.294  15.306
  363   3HE   MET  48          3HE       MET  48  -3.457  -1.177  14.695
  364    H    ASP  49           H        ASP  49  -3.901  -3.707  11.182
  365    HA   ASP  49           HA       ASP  49  -1.286  -4.820  11.101
  366   1HB   ASP  49          2HB       ASP  49  -2.567  -5.730  12.811
  367   2HB   ASP  49          3HB       ASP  49  -4.065  -5.688  11.879
  368    H    THR  50           H        THR  50  -4.210  -5.968   9.430
  369    HA   THR  50           HA       THR  50  -2.905  -7.938   8.008
  370    HB   THR  50           HB       THR  50  -5.477  -6.633   7.072
  371    HG1  THR  50           1HG      THR  50  -4.923  -7.828   9.579
  372   1HG2  THR  50          1HG2      THR  50  -6.191  -8.969   6.805
  373   2HG2  THR  50          2HG2      THR  50  -4.655  -8.714   5.947
  374   3HG2  THR  50          3HG2      THR  50  -4.670  -9.545   7.518
  375    H    LEU  51           H        LEU  51  -3.820  -4.609   7.071
  376    HA   LEU  51           HA       LEU  51  -2.727  -4.689   4.419
  377   1HB   LEU  51          2HB       LEU  51  -3.014  -2.384   6.385
  378   2HB   LEU  51          3HB       LEU  51  -2.428  -2.244   4.727
  379    HG   LEU  51           HG       LEU  51  -5.207  -2.785   5.760
  380   1HD1  LEU  51          1HD1      LEU  51  -5.710  -1.122   3.974
  381   2HD1  LEU  51          2HD1      LEU  51  -4.432  -0.525   5.048
  382   3HD1  LEU  51          3HD1      LEU  51  -3.999  -1.192   3.459
  383   1HD2  LEU  51          1HD2      LEU  51  -5.004  -4.696   4.242
  384   2HD2  LEU  51          2HD2      LEU  51  -5.954  -3.433   3.460
  385   3HD2  LEU  51          3HD2      LEU  51  -4.266  -3.663   2.988
  386    H    LEU  52           H        LEU  52  -1.186  -3.815   7.544
  387    HA   LEU  52           HA       LEU  52   1.305  -3.035   6.551
  388   1HB   LEU  52          2HB       LEU  52   0.318  -4.176   9.150
  389   2HB   LEU  52          3HB       LEU  52   1.958  -4.603   8.742
  390    HG   LEU  52           HG       LEU  52   1.964  -2.854  10.282
  391   1HD1  LEU  52          1HD1      LEU  52   3.318  -1.143   9.187
  392   2HD1  LEU  52          2HD1      LEU  52   3.772  -2.798   8.759
  393   3HD1  LEU  52          3HD1      LEU  52   2.876  -1.791   7.599
  394   1HD2  LEU  52          1HD2      LEU  52   1.078  -0.566   9.778
  395   2HD2  LEU  52          2HD2      LEU  52   0.107  -1.306   8.484
  396   3HD2  LEU  52          3HD2      LEU  52  -0.097  -1.816  10.164
  397    H    ALA  53           H        ALA  53   0.367  -6.294   7.695
  398    HA   ALA  53           HA       ALA  53   2.742  -7.600   6.911
  399   1HB   ALA  53          1HB       ALA  53   1.396  -9.683   7.102
  400   2HB   ALA  53          2HB       ALA  53   1.058  -8.573   8.447
  401   3HB   ALA  53          3HB       ALA  53  -0.101  -8.724   7.110
  402    H    THR  54           H        THR  54  -0.350  -7.205   5.085
  403    HA   THR  54           HA       THR  54   0.366  -8.575   2.753
  404    HB   THR  54           HB       THR  54  -1.357  -6.117   3.231
  405    HG1  THR  54           1HG      THR  54  -2.154  -7.870   4.241
  406   1HG2  THR  54          1HG2      THR  54  -0.755  -6.127   0.879
  407   2HG2  THR  54          2HG2      THR  54  -1.210  -7.849   0.753
  408   3HG2  THR  54          3HG2      THR  54  -2.426  -6.598   1.136
  409    H    LEU  55           H        LEU  55   0.943  -5.104   3.573
  410    HA   LEU  55           HA       LEU  55   1.870  -4.610   0.864
  411   1HB   LEU  55          2HB       LEU  55   1.130  -3.100   3.231
  412   2HB   LEU  55          3HB       LEU  55   2.614  -2.452   2.515
  413    HG   LEU  55           HG       LEU  55  -0.203  -2.546   1.461
  414   1HD1  LEU  55          1HD1      LEU  55   0.305  -0.693   2.834
  415   2HD1  LEU  55          2HD1      LEU  55   1.923  -0.451   2.139
  416   3HD1  LEU  55          3HD1      LEU  55   0.518  -0.041   1.191
  417   1HD2  LEU  55          1HD2      LEU  55   1.007  -3.163  -0.503
  418   2HD2  LEU  55          2HD2      LEU  55   0.657  -1.436  -0.577
  419   3HD2  LEU  55          3HD2      LEU  55   2.305  -1.978  -0.155
  420    H    LYS  56           H        LYS  56   3.363  -5.194   4.045
  421    HA   LYS  56           HA       LYS  56   6.022  -4.572   3.343
  422   1HB   LYS  56          2HB       LYS  56   4.653  -6.173   5.486
  423   2HB   LYS  56          3HB       LYS  56   6.338  -6.537   5.194
  424   1HG   LYS  56          2HG       LYS  56   6.215  -4.890   6.871
  425   2HG   LYS  56          3HG       LYS  56   6.970  -4.173   5.431
  426   1HD   LYS  56          2HD       LYS  56   4.435  -3.375   4.980
  427   2HD   LYS  56          3HD       LYS  56   4.264  -3.642   6.697
  428   1HE   LYS  56          2HE       LYS  56   6.201  -1.774   5.227
  429   2HE   LYS  56          3HE       LYS  56   4.720  -1.301   6.072
  430   1HZ   LYS  56          1HZ       LYS  56   5.817  -2.057   8.131
  431   2HZ   LYS  56          2HZ       LYS  56   7.214  -2.286   7.280
  432   3HZ   LYS  56          3HZ       LYS  56   6.562  -0.781   7.420
  433    H    LYS  57           H        LYS  57   4.112  -7.382   2.401
  434    HA   LYS  57           HA       LYS  57   6.297  -9.065   1.685
  435   1HB   LYS  57          2HB       LYS  57   3.540  -8.844   0.427
  436   2HB   LYS  57          3HB       LYS  57   4.740 -10.069   0.016
  437   1HG   LYS  57          2HG       LYS  57   4.848 -10.808   2.372
  438   2HG   LYS  57          3HG       LYS  57   3.578  -9.677   2.809
  439   1HD   LYS  57          2HD       LYS  57   3.182 -11.753   0.610
  440   2HD   LYS  57          3HD       LYS  57   2.996 -12.181   2.320
  441   1HE   LYS  57          2HE       LYS  57   1.293 -10.522   2.669
  442   2HE   LYS  57          3HE       LYS  57   1.474  -9.876   1.019
  443   1HZ   LYS  57          1HZ       LYS  57   0.660 -11.986   0.199
  444   2HZ   LYS  57          2HZ       LYS  57   0.492 -12.564   1.734
  445   3HZ   LYS  57          3HZ       LYS  57  -0.425 -11.300   1.227
  446    H    THR  58           H        THR  58   5.363  -6.026   0.190
  447    HA   THR  58           HA       THR  58   6.666  -6.501  -2.375
  448    HB   THR  58           HB       THR  58   6.744  -4.100  -2.552
  449    HG1  THR  58           1HG      THR  58   5.677  -3.921   0.071
  450   1HG2  THR  58          1HG2      THR  58   4.613  -5.143  -3.012
  451   2HG2  THR  58          2HG2      THR  58   4.166  -5.042  -1.292
  452   3HG2  THR  58          3HG2      THR  58   4.373  -3.561  -2.227
  453    H    GLY  59           H        GLY  59   7.741  -5.756   0.867
  454   1HA   GLY  59          2HA       GLY  59   9.641  -5.316   1.815
  455   2HA   GLY  59          3HA       GLY  59  10.397  -6.456   0.673
  456    H    LYS  60           H        LYS  60   8.898  -3.260   0.035
  457    HA   LYS  60           HA       LYS  60  11.501  -2.181  -0.955
  458   1HB   LYS  60          2HB       LYS  60   8.821  -0.758  -0.885
  459   2HB   LYS  60          3HB       LYS  60  10.240  -0.369  -1.860
  460   1HG   LYS  60          2HG       LYS  60   8.444  -2.789  -2.159
  461   2HG   LYS  60          3HG       LYS  60   8.354  -1.357  -3.159
  462   1HD   LYS  60          2HD       LYS  60  11.067  -2.657  -3.094
  463   2HD   LYS  60          3HD       LYS  60   9.766  -3.675  -3.692
  464   1HE   LYS  60          2HE       LYS  60  10.799  -2.513  -5.567
  465   2HE   LYS  60          3HE       LYS  60   9.124  -2.007  -5.363
  466   1HZ   LYS  60          1HZ       LYS  60  10.434  -0.171  -5.839
  467   2HZ   LYS  60          2HZ       LYS  60  10.008   0.040  -4.266
  468   3HZ   LYS  60          3HZ       LYS  60  11.532  -0.443  -4.638
  469    H    THR  61           H        THR  61  11.763   0.266  -0.231
  470    HA   THR  61           HA       THR  61  11.647   0.586   2.599
  471    HB   THR  61           HB       THR  61  11.789   2.992   0.947
  472    HG1  THR  61           1HG      THR  61  12.979   2.121  -0.634
  473   1HG2  THR  61          1HG2      THR  61  13.815   1.614   2.740
  474   2HG2  THR  61          2HG2      THR  61  13.918   3.271   2.117
  475   3HG2  THR  61          3HG2      THR  61  12.632   2.840   3.265
  476    H    VAL  62           H        VAL  62   9.432  -0.176   2.781
  477    HA   VAL  62           HA       VAL  62   7.408   1.995   2.433
  478    HB   VAL  62           HB       VAL  62   6.637   0.289   1.051
  479   1HG1  VAL  62          1HG1      VAL  62   7.398  -1.731   3.177
  480   2HG1  VAL  62          2HG1      VAL  62   6.277  -2.085   1.847
  481   3HG1  VAL  62          3HG1      VAL  62   7.937  -1.622   1.485
  482   1HG2  VAL  62          1HG2      VAL  62   4.947   1.139   2.782
  483   2HG2  VAL  62          2HG2      VAL  62   4.561  -0.416   2.009
  484   3HG2  VAL  62          3HG2      VAL  62   5.198  -0.379   3.649
  485    H    SER  63           H        SER  63   6.213   2.687   4.155
  486    HA   SER  63           HA       SER  63   5.526   0.773   6.030
  487   1HB   SER  63          2HB       SER  63   7.902   1.860   6.937
  488   2HB   SER  63          3HB       SER  63   6.703   2.851   7.771
  489    HG   SER  63           HG       SER  63   7.048   1.011   8.981
  490    H    TYR  64           H        TYR  64   4.373   1.798   7.992
  491    HA   TYR  64           HA       TYR  64   2.044   2.965   6.697
  492   1HB   TYR  64          2HB       TYR  64   1.936   0.926   8.070
  493   2HB   TYR  64          3HB       TYR  64   2.602   1.794   9.444
  494    HD1  TYR  64           HD1      TYR  64  -0.223   2.571   7.035
  495    HD2  TYR  64           HD2      TYR  64   1.000   1.952  11.129
  496    HE1  TYR  64           HE1      TYR  64  -2.424   3.333   7.826
  497    HE2  TYR  64           HE2      TYR  64  -1.276   2.553  11.890
  498    HH   TYR  64           HH       TYR  64  -3.795   3.671   9.629
  499    H    LEU  65           H        LEU  65   0.994   4.854   7.289
  500    HA   LEU  65           HA       LEU  65   2.295   6.690   9.237
  501   1HB   LEU  65          2HB       LEU  65   0.969   7.289   6.596
  502   2HB   LEU  65          3HB       LEU  65   1.277   8.488   7.853
  503    HG   LEU  65           HG       LEU  65   3.756   7.453   7.789
  504   1HD1  LEU  65          1HD1      LEU  65   2.714   7.018   4.958
  505   2HD1  LEU  65          2HD1      LEU  65   4.412   6.891   5.524
  506   3HD1  LEU  65          3HD1      LEU  65   3.205   5.737   6.074
  507   1HD2  LEU  65          1HD2      LEU  65   2.593   9.435   5.822
  508   2HD2  LEU  65          2HD2      LEU  65   3.176   9.759   7.474
  509   3HD2  LEU  65          3HD2      LEU  65   4.325   9.258   6.211
  510    H    GLY  66           H        GLY  66   0.347   8.453   9.691
  511   1HA   GLY  66          2HA       GLY  66  -1.383   7.085  11.473
  512   2HA   GLY  66          3HA       GLY  66  -1.532   8.776  10.962
  513    H    LEU  67           H        LEU  67  -3.693   6.893  11.435
  514    HA   LEU  67           HA       LEU  67  -4.843   6.265   8.826
  515   1HB   LEU  67          2HB       LEU  67  -5.265   4.866  10.863
  516   2HB   LEU  67          3HB       LEU  67  -6.003   6.263  11.651
  517    HG   LEU  67           HG       LEU  67  -7.807   6.291   9.963
  518   1HD1  LEU  67          1HD1      LEU  67  -8.003   4.326   8.414
  519   2HD1  LEU  67          2HD1      LEU  67  -6.673   5.379   7.977
  520   3HD1  LEU  67          3HD1      LEU  67  -6.349   3.858   8.839
  521   1HD2  LEU  67          1HD2      LEU  67  -8.049   4.956  12.030
  522   2HD2  LEU  67          2HD2      LEU  67  -8.914   4.216  10.672
  523   3HD2  LEU  67          3HD2      LEU  67  -7.357   3.543  11.202
  524    H    GLU  68           H        GLU  68  -6.683   7.456   7.907
  525    HA   GLU  68           HA       GLU  68  -7.792   9.724   9.181
  526   1HB   GLU  68          2HB       GLU  68  -5.518  10.515   8.276
  527   2HB   GLU  68          3HB       GLU  68  -6.118  10.196   6.660
  528   1HG   GLU  68          2HG       GLU  68  -7.753  12.003   8.477
  529   2HG   GLU  68          3HG       GLU  68  -6.179  12.608   7.939
  Start of MODEL   23
    1   1H    MET   1           H1       MET   1 -15.523   3.361   7.645
    2   2H    MET   1           H2       MET   1 -15.853   1.918   6.920
    3   3H    MET   1           H3       MET   1 -14.567   2.038   7.906
    4    HA   MET   1           HA       MET   1 -13.807   2.013   5.680
    5   1HB   MET   1          2HB       MET   1 -14.533   3.775   4.098
    6   2HB   MET   1          3HB       MET   1 -15.781   2.615   4.547
    7   1HG   MET   1          2HG       MET   1 -16.831   4.226   6.059
    8   2HG   MET   1          3HG       MET   1 -15.556   5.414   5.730
    9   1HE   MET   1          1HE       MET   1 -17.353   7.232   5.255
   10   2HE   MET   1          2HE       MET   1 -18.695   7.015   4.108
   11   3HE   MET   1          3HE       MET   1 -18.638   6.046   5.598
   12    HA   PRO   2           HA       PRO   2 -11.229   5.254   7.831
   13   1HB   PRO   2          2HB       PRO   2  -9.181   3.637   8.556
   14   2HB   PRO   2          3HB       PRO   2 -10.593   3.906   9.627
   15   1HG   PRO   2          2HG       PRO   2 -10.137   1.592   7.691
   16   2HG   PRO   2          3HG       PRO   2 -10.595   1.482   9.419
   17   1HD   PRO   2          2HD       PRO   2 -12.479   1.342   7.512
   18   2HD   PRO   2          3HD       PRO   2 -12.767   2.335   8.969
   19    H    LYS   3           H        LYS   3  -8.942   5.611   7.227
   20    HA   LYS   3           HA       LYS   3  -8.143   4.487   4.572
   21   1HB   LYS   3          2HB       LYS   3  -8.885   6.805   4.316
   22   2HB   LYS   3          3HB       LYS   3  -7.928   7.253   5.729
   23   1HG   LYS   3          2HG       LYS   3  -5.832   6.776   4.464
   24   2HG   LYS   3          3HG       LYS   3  -6.788   6.233   3.073
   25   1HD   LYS   3          2HD       LYS   3  -5.833   8.582   2.932
   26   2HD   LYS   3          3HD       LYS   3  -7.581   8.453   2.637
   27   1HE   LYS   3          2HE       LYS   3  -8.165   9.351   4.744
   28   2HE   LYS   3          3HE       LYS   3  -6.573   8.958   5.438
   29   1HZ   LYS   3          1HZ       LYS   3  -6.695  11.065   3.425
   30   2HZ   LYS   3          2HZ       LYS   3  -7.106  11.290   5.037
   31   3HZ   LYS   3          3HZ       LYS   3  -5.660  10.764   4.744
   32    H    HIS   4           H        HIS   4  -6.028   3.894   4.435
   33    HA   HIS   4           HA       HIS   4  -4.251   4.143   6.815
   34   1HB   HIS   4          2HB       HIS   4  -4.660   1.687   5.050
   35   2HB   HIS   4          3HB       HIS   4  -3.595   1.805   6.443
   36    HD1  HIS   4           1HD      HIS   4  -6.163   3.334   8.120
   37    HD2  HIS   4           2HD      HIS   4  -5.901  -0.420   6.234
   38    HE1  HIS   4           1HE      HIS   4  -7.863   1.785   9.268
   39    H    GLU   5           H        GLU   5  -2.714   5.579   6.002
   40    HA   GLU   5           HA       GLU   5  -2.011   5.377   3.139
   41   1HB   GLU   5          2HB       GLU   5  -2.752   7.549   4.295
   42   2HB   GLU   5          3HB       GLU   5  -1.163   7.590   5.041
   43   1HG   GLU   5          2HG       GLU   5  -1.147   7.154   2.066
   44   2HG   GLU   5          3HG       GLU   5  -1.861   8.682   2.613
   45    H    PHE   6           H        PHE   6   0.013   4.811   2.470
   46    HA   PHE   6           HA       PHE   6   2.137   4.285   4.495
   47   1HB   PHE   6          2HB       PHE   6   1.306   2.522   2.162
   48   2HB   PHE   6          3HB       PHE   6   2.824   2.354   3.030
   49    HD1  PHE   6           1HD      PHE   6   2.955   0.822   4.847
   50    HD2  PHE   6           2HD      PHE   6  -0.909   2.368   3.668
   51    HE1  PHE   6           1HE      PHE   6   1.864  -0.899   6.156
   52    HE2  PHE   6           2HE      PHE   6  -1.992   0.714   5.145
   53    HZ   PHE   6           HZ       PHE   6  -0.633  -0.979   6.340
   54    H    SER   7           H        SER   7   4.019   5.173   3.939
   55    HA   SER   7           HA       SER   7   4.343   6.377   1.222
   56   1HB   SER   7          2HB       SER   7   4.941   7.814   3.124
   57   2HB   SER   7          3HB       SER   7   6.125   6.611   3.674
   58    HG   SER   7           HG       SER   7   6.177   7.724   1.046
   59    H    VAL   8           H        VAL   8   6.000   5.583  -0.122
   60    HA   VAL   8           HA       VAL   8   7.232   2.990   0.571
   61    HB   VAL   8           HB       VAL   8   5.509   3.492  -1.904
   62   1HG1  VAL   8          1HG1      VAL   8   6.871   0.991  -0.837
   63   2HG1  VAL   8          2HG1      VAL   8   5.632   0.958  -2.103
   64   3HG1  VAL   8          3HG1      VAL   8   7.153   1.759  -2.415
   65   1HG2  VAL   8          1HG2      VAL   8   3.964   3.340  -0.059
   66   2HG2  VAL   8          2HG2      VAL   8   3.960   1.772  -0.863
   67   3HG2  VAL   8          3HG2      VAL   8   4.858   1.974   0.644
   68    H    ASP   9           H        ASP   9   8.711   2.436  -1.372
   69    HA   ASP   9           HA       ASP   9   9.680   4.891  -2.753
   70   1HB   ASP   9          2HB       ASP   9  11.411   4.151  -1.199
   71   2HB   ASP   9          3HB       ASP   9  11.400   2.525  -1.936
   72    H    MET  10           H        MET  10   7.594   3.953  -3.785
   73    HA   MET  10           HA       MET  10   8.104   1.691  -5.546
   74   1HB   MET  10          2HB       MET  10   5.833   2.144  -6.445
   75   2HB   MET  10          3HB       MET  10   5.898   1.798  -4.715
   76   1HG   MET  10          2HG       MET  10   5.442   4.043  -4.124
   77   2HG   MET  10          3HG       MET  10   5.843   4.659  -5.724
   78   1HE   MET  10          1HE       MET  10   3.609   1.451  -5.313
   79   2HE   MET  10          2HE       MET  10   3.313   2.348  -3.805
   80   3HE   MET  10          3HE       MET  10   2.023   2.188  -5.031
   81    H    THR  11           H        THR  11  10.078   2.917  -6.262
   82    HA   THR  11           HA       THR  11   9.617   5.424  -7.499
   83    HB   THR  11           HB       THR  11  11.580   4.635  -6.097
   84    HG1  THR  11           1HG      THR  11  11.955   6.105  -8.479
   85   1HG2  THR  11          1HG2      THR  11  12.736   3.781  -8.779
   86   2HG2  THR  11          2HG2      THR  11  13.557   3.852  -7.209
   87   3HG2  THR  11          3HG2      THR  11  12.250   2.684  -7.466
   88    H    CYS  12           HN       CYS  12   8.777   2.706  -9.063
   89    HA   CYS  12           HA       CYS  12   8.804   4.164 -11.511
   90   1HB   CYS  12          2HB       CYS  12   9.867   2.580 -12.951
   91   2HB   CYS  12          3HB       CYS  12  11.013   2.944 -11.668
   92    H    GLY  13           H        GLY  13   7.438   3.031 -13.094
   93   1HA   GLY  13          2HA       GLY  13   4.912   2.253 -12.331
   94   2HA   GLY  13          3HA       GLY  13   5.707   1.733 -13.814
   95    H    GLY  14           H        GLY  14   7.789   0.175 -12.710
   96   1HA   GLY  14          2HA       GLY  14   6.478  -2.306 -12.520
   97   2HA   GLY  14          3HA       GLY  14   8.203  -1.976 -12.186
   98    H    CYS  15           HN       CYS  15   7.816  -0.141  -9.967
   99    HA   CYS  15           HA       CYS  15   7.426  -2.117  -7.853
  100   1HB   CYS  15          2HB       CYS  15   7.640   0.895  -7.722
  101   2HB   CYS  15          3HB       CYS  15   7.627  -0.245  -6.354
  102    H    ALA  16           H        ALA  16   5.566   0.640  -9.234
  103    HA   ALA  16           HA       ALA  16   3.383   0.461  -7.424
  104   1HB   ALA  16          1HB       ALA  16   3.616   2.357  -8.856
  105   2HB   ALA  16          2HB       ALA  16   3.383   1.367 -10.321
  106   3HB   ALA  16          3HB       ALA  16   2.052   1.588  -9.168
  107    H    GLU  17           H        GLU  17   3.870  -1.256 -10.581
  108    HA   GLU  17           HA       GLU  17   1.550  -2.787 -10.571
  109   1HB   GLU  17          2HB       GLU  17   3.108  -2.523 -12.401
  110   2HB   GLU  17          3HB       GLU  17   4.395  -3.345 -11.521
  111   1HG   GLU  17          2HG       GLU  17   1.771  -4.731 -12.197
  112   2HG   GLU  17          3HG       GLU  17   3.186  -4.563 -13.263
  113    H    ALA  18           H        ALA  18   4.807  -3.676  -9.214
  114    HA   ALA  18           HA       ALA  18   4.030  -6.150  -8.159
  115   1HB   ALA  18          1HB       ALA  18   5.977  -5.916  -6.658
  116   2HB   ALA  18          2HB       ALA  18   6.371  -5.348  -8.300
  117   3HB   ALA  18          3HB       ALA  18   6.044  -4.175  -7.001
  118    H    VAL  19           H        VAL  19   3.946  -2.937  -6.531
  119    HA   VAL  19           HA       VAL  19   2.981  -3.810  -4.035
  120    HB   VAL  19           HB       VAL  19   2.755  -1.208  -5.608
  121   1HG1  VAL  19          1HG1      VAL  19   2.198  -0.273  -3.303
  122   2HG1  VAL  19          2HG1      VAL  19   0.909  -1.168  -4.130
  123   3HG1  VAL  19          3HG1      VAL  19   1.856  -1.975  -2.843
  124   1HG2  VAL  19          1HG2      VAL  19   5.065  -2.060  -4.708
  125   2HG2  VAL  19          2HG2      VAL  19   4.558  -0.416  -4.298
  126   3HG2  VAL  19          3HG2      VAL  19   4.409  -1.702  -3.108
  127    H    SER  20           H        SER  20   1.284  -2.699  -6.971
  128    HA   SER  20           HA       SER  20  -1.346  -2.857  -5.961
  129   1HB   SER  20          2HB       SER  20  -0.587  -1.835  -8.161
  130   2HB   SER  20          3HB       SER  20  -0.380  -3.422  -8.836
  131    HG   SER  20           HG       SER  20  -2.382  -2.612  -9.420
  132    H    ARG  21           H        ARG  21   0.528  -5.223  -7.766
  133    HA   ARG  21           HA       ARG  21  -1.267  -7.358  -7.747
  134   1HB   ARG  21          2HB       ARG  21   0.336  -8.235  -8.932
  135   2HB   ARG  21          3HB       ARG  21   1.404  -6.919  -8.557
  136   1HG   ARG  21          2HG       ARG  21   2.467  -8.107  -6.770
  137   2HG   ARG  21          3HG       ARG  21   1.237  -9.366  -6.765
  138   1HD   ARG  21          2HD       ARG  21   3.153 -10.221  -7.822
  139   2HD   ARG  21          3HD       ARG  21   1.920 -10.033  -9.069
  140    HE   ARG  21           HE       ARG  21   3.067  -7.843  -9.719
  141   1HH1  ARG  21          2HH2      ARG  21   4.906 -10.637  -8.498
  142   2HH1  ARG  21          1HH2      ARG  21   6.385 -10.131  -9.248
  143   1HH2  ARG  21          2HH1      ARG  21   5.001  -7.235 -10.732
  144   2HH2  ARG  21          1HH1      ARG  21   6.443  -8.159 -10.527
  145    H    VAL  22           H        VAL  22   1.125  -6.484  -5.160
  146    HA   VAL  22           HA       VAL  22   0.672  -8.779  -3.547
  147    HB   VAL  22           HB       VAL  22   2.007  -6.066  -3.456
  148   1HG1  VAL  22          1HG1      VAL  22   1.066  -5.873  -1.460
  149   2HG1  VAL  22          2HG1      VAL  22   1.279  -7.604  -1.008
  150   3HG1  VAL  22          3HG1      VAL  22   2.683  -6.513  -1.107
  151   1HG2  VAL  22          1HG2      VAL  22   3.050  -8.807  -2.771
  152   2HG2  VAL  22          2HG2      VAL  22   3.154  -8.023  -4.371
  153   3HG2  VAL  22          3HG2      VAL  22   3.960  -7.283  -2.977
  154    H    LEU  23           H        LEU  23  -0.559  -5.411  -3.466
  155    HA   LEU  23           HA       LEU  23  -2.295  -5.886  -1.198
  156   1HB   LEU  23          2HB       LEU  23  -1.744  -3.693  -3.107
  157   2HB   LEU  23          3HB       LEU  23  -3.389  -3.714  -2.584
  158    HG   LEU  23           HG       LEU  23  -0.968  -3.865  -0.701
  159   1HD1  LEU  23          1HD1      LEU  23  -1.435  -1.437  -0.343
  160   2HD1  LEU  23          2HD1      LEU  23  -1.006  -1.751  -2.044
  161   3HD1  LEU  23          3HD1      LEU  23  -2.709  -1.559  -1.572
  162   1HD2  LEU  23          1HD2      LEU  23  -2.667  -3.074   0.964
  163   2HD2  LEU  23          2HD2      LEU  23  -3.900  -3.146  -0.319
  164   3HD2  LEU  23          3HD2      LEU  23  -3.159  -4.636   0.285
  165    H    ASN  24           H        ASN  24  -2.715  -6.275  -4.719
  166    HA   ASN  24           HA       ASN  24  -5.532  -6.665  -4.561
  167   1HB   ASN  24          2HB       ASN  24  -4.529  -6.120  -6.695
  168   2HB   ASN  24          3HB       ASN  24  -3.502  -7.565  -6.641
  169   1HD2  ASN  24          1HD2      ASN  24  -7.011  -7.163  -5.802
  170   2HD2  ASN  24          2HD2      ASN  24  -7.463  -8.503  -6.838
  171    H    LYS  25           H        LYS  25  -2.757  -8.850  -4.261
  172    HA   LYS  25           HA       LYS  25  -4.081 -11.267  -3.981
  173   1HB   LYS  25          2HB       LYS  25  -1.509 -10.465  -3.584
  174   2HB   LYS  25          3HB       LYS  25  -1.977 -10.762  -1.911
  175   1HG   LYS  25          2HG       LYS  25  -2.079 -12.700  -4.267
  176   2HG   LYS  25          3HG       LYS  25  -0.946 -12.729  -2.906
  177   1HD   LYS  25          2HD       LYS  25  -2.918 -13.080  -1.357
  178   2HD   LYS  25          3HD       LYS  25  -3.952 -13.232  -2.796
  179   1HE   LYS  25          2HE       LYS  25  -2.551 -15.131  -3.604
  180   2HE   LYS  25          3HE       LYS  25  -1.613 -15.055  -2.100
  181   1HZ   LYS  25          1HZ       LYS  25  -4.511 -15.576  -2.296
  182   2HZ   LYS  25          2HZ       LYS  25  -3.352 -16.702  -1.995
  183   3HZ   LYS  25          3HZ       LYS  25  -3.651 -15.514  -0.897
  184    H    LEU  26           H        LEU  26  -3.862  -8.660  -1.531
  185    HA   LEU  26           HA       LEU  26  -5.555  -9.984   0.451
  186   1HB   LEU  26          2HB       LEU  26  -3.976  -8.256   1.058
  187   2HB   LEU  26          3HB       LEU  26  -4.738  -7.093   0.001
  188    HG   LEU  26           HG       LEU  26  -5.334  -6.357   1.997
  189   1HD1  LEU  26          1HD1      LEU  26  -7.339  -6.702   0.537
  190   2HD1  LEU  26          2HD1      LEU  26  -7.760  -8.109   1.557
  191   3HD1  LEU  26          3HD1      LEU  26  -7.668  -6.504   2.275
  192   1HD2  LEU  26          1HD2      LEU  26  -4.556  -8.177   3.381
  193   2HD2  LEU  26          2HD2      LEU  26  -6.162  -7.587   3.871
  194   3HD2  LEU  26          3HD2      LEU  26  -6.011  -9.133   2.984
  195    H    GLY  27           H        GLY  27  -6.048  -7.469  -2.075
  196   1HA   GLY  27          2HA       GLY  27  -7.656  -7.464  -3.720
  197   2HA   GLY  27          3HA       GLY  27  -8.451  -8.848  -2.970
  198    H    GLY  28           H        GLY  28  -9.185  -7.975  -0.521
  199   1HA   GLY  28          2HA       GLY  28 -11.461  -6.259  -1.121
  200   2HA   GLY  28          3HA       GLY  28 -10.997  -6.906   0.458
  201    H    VAL  29           H        VAL  29  -9.482  -4.651  -1.904
  202    HA   VAL  29           HA       VAL  29  -9.237  -2.517   0.161
  203    HB   VAL  29           HB       VAL  29  -6.821  -2.282  -0.698
  204   1HG1  VAL  29          1HG1      VAL  29  -7.255  -2.982   1.571
  205   2HG1  VAL  29          2HG1      VAL  29  -7.598  -4.631   1.053
  206   3HG1  VAL  29          3HG1      VAL  29  -5.959  -4.021   0.902
  207   1HG2  VAL  29          1HG2      VAL  29  -5.635  -4.067  -1.587
  208   2HG2  VAL  29          2HG2      VAL  29  -6.891  -5.261  -1.195
  209   3HG2  VAL  29          3HG2      VAL  29  -7.131  -4.158  -2.542
  210    H    LYS  30           H        LYS  30  -9.756  -0.510  -0.705
  211    HA   LYS  30           HA       LYS  30  -9.219  -0.132  -3.624
  212   1HB   LYS  30          2HB       LYS  30 -11.349   0.722  -3.158
  213   2HB   LYS  30          3HB       LYS  30 -10.796   1.549  -1.702
  214   1HG   LYS  30          2HG       LYS  30 -11.254   3.044  -3.590
  215   2HG   LYS  30          3HG       LYS  30  -9.649   3.230  -2.934
  216   1HD   LYS  30          2HD       LYS  30 -10.216   1.704  -5.554
  217   2HD   LYS  30          3HD       LYS  30  -9.879   3.445  -5.449
  218   1HE   LYS  30          2HE       LYS  30  -7.766   2.807  -4.192
  219   2HE   LYS  30          3HE       LYS  30  -8.019   1.180  -4.911
  220   1HZ   LYS  30          1HZ       LYS  30  -7.563   3.683  -6.376
  221   2HZ   LYS  30          2HZ       LYS  30  -6.573   2.387  -6.166
  222   3HZ   LYS  30          3HZ       LYS  30  -7.944   2.235  -7.075
  223    H    TYR  31           H        TYR  31  -7.050  -0.375  -3.378
  224    HA   TYR  31           HA       TYR  31  -5.501   1.577  -1.773
  225   1HB   TYR  31          2HB       TYR  31  -3.583   0.339  -2.421
  226   2HB   TYR  31          3HB       TYR  31  -4.779  -0.694  -1.624
  227    HD1  TYR  31           HD1      TYR  31  -2.829  -0.143  -4.635
  228    HD2  TYR  31           HD2      TYR  31  -6.223  -2.223  -3.053
  229    HE1  TYR  31           HE1      TYR  31  -2.998  -1.480  -6.705
  230    HE2  TYR  31           HE2      TYR  31  -6.221  -3.757  -5.012
  231    HH   TYR  31           HH       TYR  31  -3.805  -3.417  -7.627
  232    H    ASP  32           H        ASP  32  -5.123   3.502  -2.651
  233    HA   ASP  32           HA       ASP  32  -4.804   3.621  -5.611
  234   1HB   ASP  32          2HB       ASP  32  -6.762   5.018  -4.300
  235   2HB   ASP  32          3HB       ASP  32  -5.420   6.170  -4.221
  236    H    ILE  33           H        ILE  33  -3.376   5.469  -6.269
  237    HA   ILE  33           HA       ILE  33  -0.812   4.691  -4.893
  238    HB   ILE  33           HB       ILE  33  -1.996   4.050  -7.611
  239   1HG1  ILE  33          2HG1      ILE  33  -0.605   1.904  -6.135
  240   2HG1  ILE  33          3HG1      ILE  33  -1.945   2.543  -5.212
  241   1HG2  ILE  33          1HG2      ILE  33   0.900   3.774  -6.779
  242   2HG2  ILE  33          2HG2      ILE  33   0.168   2.958  -8.182
  243   3HG2  ILE  33          3HG2      ILE  33   0.230   4.721  -8.130
  244   1HD1  ILE  33          1HD1      ILE  33  -2.572   0.661  -6.767
  245   2HD1  ILE  33          2HD1      ILE  33  -3.574   2.114  -6.943
  246   3HD1  ILE  33          3HD1      ILE  33  -2.290   1.734  -8.127
  247    H    ASP  34           H        ASP  34   0.699   6.270  -4.950
  248    HA   ASP  34           HA       ASP  34   0.705   8.133  -7.297
  249   1HB   ASP  34          2HB       ASP  34  -0.078   9.323  -5.263
  250   2HB   ASP  34          3HB       ASP  34   1.444   8.877  -4.464
  251    H    LEU  35           H        LEU  35   2.489   7.633  -8.460
  252    HA   LEU  35           HA       LEU  35   4.775   6.266  -7.280
  253   1HB   LEU  35          2HB       LEU  35   4.116   7.226 -10.086
  254   2HB   LEU  35          3HB       LEU  35   5.716   6.710  -9.565
  255    HG   LEU  35           HG       LEU  35   4.151   4.633  -8.583
  256   1HD1  LEU  35          1HD1      LEU  35   2.102   5.519  -9.655
  257   2HD1  LEU  35          2HD1      LEU  35   2.913   5.484 -11.238
  258   3HD1  LEU  35          3HD1      LEU  35   2.587   3.972 -10.376
  259   1HD2  LEU  35          1HD2      LEU  35   5.330   4.755 -11.373
  260   2HD2  LEU  35          2HD2      LEU  35   6.245   4.457  -9.876
  261   3HD2  LEU  35          3HD2      LEU  35   5.025   3.297 -10.399
  262    HA   PRO  36           HA       PRO  36   7.235  10.202  -8.355
  263   1HB   PRO  36          2HB       PRO  36   5.895  12.652  -8.358
  264   2HB   PRO  36          3HB       PRO  36   6.349  11.705  -9.803
  265   1HG   PRO  36          2HG       PRO  36   3.694  11.730  -8.359
  266   2HG   PRO  36          3HG       PRO  36   3.986  11.831 -10.118
  267   1HD   PRO  36          2HD       PRO  36   3.290   9.506  -9.011
  268   2HD   PRO  36          3HD       PRO  36   4.596   9.524 -10.226
  269    H    ASN  37           H        ASN  37   4.378  10.475  -6.270
  270    HA   ASN  37           HA       ASN  37   6.054  11.629  -4.056
  271   1HB   ASN  37          2HB       ASN  37   3.052  11.204  -4.092
  272   2HB   ASN  37          3HB       ASN  37   4.005  11.968  -2.839
  273   1HD2  ASN  37          1HD2      ASN  37   2.210  12.619  -5.682
  274   2HD2  ASN  37          2HD2      ASN  37   2.796  14.266  -5.915
  275    H    LYS  38           H        LYS  38   5.492   8.675  -5.303
  276    HA   LYS  38           HA       LYS  38   5.345   6.567  -4.567
  277   1HB   LYS  38          2HB       LYS  38   7.467   6.065  -3.264
  278   2HB   LYS  38          3HB       LYS  38   7.484   6.741  -4.881
  279   1HG   LYS  38          2HG       LYS  38   7.930   9.013  -4.001
  280   2HG   LYS  38          3HG       LYS  38   7.920   8.362  -2.352
  281   1HD   LYS  38          2HD       LYS  38  10.183   8.758  -3.253
  282   2HD   LYS  38          3HD       LYS  38   9.937   7.061  -2.847
  283   1HE   LYS  38          2HE       LYS  38   9.595   6.502  -5.234
  284   2HE   LYS  38          3HE       LYS  38   9.672   8.219  -5.681
  285   1HZ   LYS  38          1HZ       LYS  38  11.714   6.970  -6.097
  286   2HZ   LYS  38          2HZ       LYS  38  12.001   8.157  -4.974
  287   3HZ   LYS  38          3HZ       LYS  38  11.825   6.579  -4.517
  288    H    LYS  39           H        LYS  39   3.280   6.677  -3.663
  289    HA   LYS  39           HA       LYS  39   3.185   6.043  -0.798
  290   1HB   LYS  39          2HB       LYS  39   2.077   8.529  -2.149
  291   2HB   LYS  39          3HB       LYS  39   1.089   7.771  -0.900
  292   1HG   LYS  39          2HG       LYS  39   2.797   7.954   0.738
  293   2HG   LYS  39          3HG       LYS  39   3.970   8.596  -0.438
  294   1HD   LYS  39          2HD       LYS  39   2.615  10.565  -0.828
  295   2HD   LYS  39          3HD       LYS  39   1.315   9.966   0.215
  296   1HE   LYS  39          2HE       LYS  39   4.170  10.476   1.186
  297   2HE   LYS  39          3HE       LYS  39   2.886  11.691   1.293
  298   1HZ   LYS  39          1HZ       LYS  39   1.676  10.340   2.795
  299   2HZ   LYS  39          2HZ       LYS  39   2.476   9.027   2.509
  300   3HZ   LYS  39          3HZ       LYS  39   3.222  10.261   3.337
  301    H    VAL  40           H        VAL  40   1.238   5.058  -0.168
  302    HA   VAL  40           HA       VAL  40  -0.662   4.283  -2.295
  303    HB   VAL  40           HB       VAL  40   0.338   2.519  -0.019
  304   1HG1  VAL  40          1HG1      VAL  40  -0.939   0.770  -1.193
  305   2HG1  VAL  40          2HG1      VAL  40  -1.996   2.123  -0.749
  306   3HG1  VAL  40          3HG1      VAL  40  -1.446   1.947  -2.426
  307   1HG2  VAL  40          1HG2      VAL  40   0.942   2.290  -2.984
  308   2HG2  VAL  40          2HG2      VAL  40   2.110   2.789  -1.737
  309   3HG2  VAL  40          3HG2      VAL  40   1.437   1.156  -1.700
  310    H    CYS  41           H        CYS  41  -2.719   4.809  -1.652
  311    HA   CYS  41           HA       CYS  41  -3.350   5.265   1.263
  312   1HB   CYS  41          2HB       CYS  41  -4.566   6.471  -1.280
  313   2HB   CYS  41          3HB       CYS  41  -5.295   6.570   0.335
  314    HG   CYS  41           HG       CYS  41  -3.155   7.626   1.463
  315    H    ILE  42           H        ILE  42  -4.070   3.312   1.986
  316    HA   ILE  42           HA       ILE  42  -5.942   1.921   0.180
  317    HB   ILE  42           HB       ILE  42  -4.857   0.874   2.779
  318   1HG1  ILE  42          2HG1      ILE  42  -3.693  -0.739   0.900
  319   2HG1  ILE  42          3HG1      ILE  42  -3.617   0.778   0.051
  320   1HG2  ILE  42          1HG2      ILE  42  -6.930  -0.168   2.066
  321   2HG2  ILE  42          2HG2      ILE  42  -6.340  -0.301   0.394
  322   3HG2  ILE  42          3HG2      ILE  42  -5.630  -1.296   1.668
  323   1HD1  ILE  42          1HD1      ILE  42  -2.117   1.677   1.699
  324   2HD1  ILE  42          2HD1      ILE  42  -2.650   0.503   2.917
  325   3HD1  ILE  42          3HD1      ILE  42  -1.636  -0.039   1.604
  326    H    GLU  43           H        GLU  43  -8.062   2.131   0.410
  327    HA   GLU  43           HA       GLU  43  -9.149   2.684   3.141
  328   1HB   GLU  43          2HB       GLU  43 -10.064   3.631   0.411
  329   2HB   GLU  43          3HB       GLU  43 -11.171   3.551   1.796
  330   1HG   GLU  43          2HG       GLU  43  -9.855   5.034   3.113
  331   2HG   GLU  43          3HG       GLU  43  -8.494   4.975   1.978
  332    H    SER  44           H        SER  44 -10.447   1.197   3.959
  333    HA   SER  44           HA       SER  44 -12.042  -0.588   2.446
  334   1HB   SER  44          2HB       SER  44  -9.782  -1.762   2.250
  335   2HB   SER  44          3HB       SER  44  -9.810  -1.898   4.016
  336    HG   SER  44           HG       SER  44 -10.754  -3.667   2.565
  337    H    GLU  45           H        GLU  45 -12.743  -2.372   4.187
  338    HA   GLU  45           HA       GLU  45 -13.159  -1.066   6.857
  339   1HB   GLU  45          2HB       GLU  45 -15.154  -2.925   5.510
  340   2HB   GLU  45          3HB       GLU  45 -15.289  -2.112   7.071
  341   1HG   GLU  45          2HG       GLU  45 -14.819   0.045   5.448
  342   2HG   GLU  45          3HG       GLU  45 -15.642  -1.018   4.307
  343    H    HIS  46           H        HIS  46 -10.915  -2.160   6.910
  344    HA   HIS  46           HA       HIS  46 -11.286  -4.483   8.592
  345   1HB   HIS  46          2HB       HIS  46  -9.544  -5.861   7.500
  346   2HB   HIS  46          3HB       HIS  46 -10.943  -5.632   6.457
  347    HD1  HIS  46           1HD      HIS  46  -7.847  -3.246   6.810
  348    HD2  HIS  46           2HD      HIS  46  -9.992  -5.601   4.032
  349    HE1  HIS  46           1HE      HIS  46  -7.077  -2.563   4.518
  350    H    SER  47           H        SER  47  -8.785  -5.009   9.354
  351    HA   SER  47           HA       SER  47  -7.929  -2.523  10.549
  352   1HB   SER  47          2HB       SER  47  -7.782  -4.701  11.744
  353   2HB   SER  47          3HB       SER  47  -6.576  -5.260  10.563
  354    HG   SER  47           HG       SER  47  -5.664  -4.377  12.517
  355    H    MET  48           H        MET  48  -5.814  -1.773  10.611
  356    HA   MET  48           HA       MET  48  -4.449  -1.477   8.034
  357   1HB   MET  48          2HB       MET  48  -2.978   0.030   9.191
  358   2HB   MET  48          3HB       MET  48  -4.651   0.444   9.542
  359   1HG   MET  48          2HG       MET  48  -3.954  -1.329  11.619
  360   2HG   MET  48          3HG       MET  48  -2.485  -0.401  11.340
  361   1HE   MET  48          1HE       MET  48  -6.336   0.607  11.099
  362   2HE   MET  48          2HE       MET  48  -6.180  -0.449  12.524
  363   3HE   MET  48          3HE       MET  48  -6.561   1.271  12.730
  364    H    ASP  49           H        ASP  49  -4.328  -3.555  10.865
  365    HA   ASP  49           HA       ASP  49  -1.575  -4.258  10.829
  366   1HB   ASP  49          2HB       ASP  49  -3.013  -4.829  12.700
  367   2HB   ASP  49          3HB       ASP  49  -4.035  -5.855  11.667
  368    H    THR  50           H        THR  50  -4.376  -6.040   9.442
  369    HA   THR  50           HA       THR  50  -3.159  -7.959   7.983
  370    HB   THR  50           HB       THR  50  -5.461  -6.420   6.752
  371    HG1  THR  50           1HG      THR  50  -6.774  -7.384   8.447
  372   1HG2  THR  50          1HG2      THR  50  -5.103  -9.357   7.507
  373   2HG2  THR  50          2HG2      THR  50  -6.408  -8.666   6.518
  374   3HG2  THR  50          3HG2      THR  50  -4.741  -8.674   5.907
  375    H    LEU  51           H        LEU  51  -3.766  -4.558   6.997
  376    HA   LEU  51           HA       LEU  51  -2.587  -4.826   4.395
  377   1HB   LEU  51          2HB       LEU  51  -2.821  -2.337   6.166
  378   2HB   LEU  51          3HB       LEU  51  -2.254  -2.387   4.501
  379    HG   LEU  51           HG       LEU  51  -5.041  -2.793   5.586
  380   1HD1  LEU  51          1HD1      LEU  51  -5.454  -1.068   3.903
  381   2HD1  LEU  51          2HD1      LEU  51  -3.977  -0.602   4.757
  382   3HD1  LEU  51          3HD1      LEU  51  -3.853  -1.357   3.155
  383   1HD2  LEU  51          1HD2      LEU  51  -5.627  -3.477   3.144
  384   2HD2  LEU  51          2HD2      LEU  51  -3.929  -3.827   2.907
  385   3HD2  LEU  51          3HD2      LEU  51  -4.873  -4.745   4.110
  386    H    LEU  52           H        LEU  52  -1.203  -3.642   7.483
  387    HA   LEU  52           HA       LEU  52   1.329  -2.976   6.633
  388   1HB   LEU  52          2HB       LEU  52   0.021  -3.581   9.101
  389   2HB   LEU  52          3HB       LEU  52   1.443  -4.618   9.024
  390    HG   LEU  52           HG       LEU  52   1.959  -2.759  10.328
  391   1HD1  LEU  52          1HD1      LEU  52   3.748  -3.352   8.806
  392   2HD1  LEU  52          2HD1      LEU  52   3.183  -2.160   7.610
  393   3HD1  LEU  52          3HD1      LEU  52   3.778  -1.621   9.189
  394   1HD2  LEU  52          1HD2      LEU  52   0.833  -0.925   8.198
  395   2HD2  LEU  52          2HD2      LEU  52   0.102  -1.315   9.755
  396   3HD2  LEU  52          3HD2      LEU  52   1.631  -0.427   9.703
  397    H    ALA  53           H        ALA  53   0.255  -6.192   7.777
  398    HA   ALA  53           HA       ALA  53   2.625  -7.616   7.219
  399   1HB   ALA  53          1HB       ALA  53   1.181  -9.627   7.314
  400   2HB   ALA  53          2HB       ALA  53   0.767  -8.482   8.606
  401   3HB   ALA  53          3HB       ALA  53  -0.267  -8.609   7.169
  402    H    THR  54           H        THR  54  -0.261  -7.120   5.086
  403    HA   THR  54           HA       THR  54   0.718  -8.604   2.889
  404    HB   THR  54           HB       THR  54  -1.125  -6.169   2.946
  405    HG1  THR  54           1HG      THR  54  -1.933  -7.782   4.264
  406   1HG2  THR  54          1HG2      THR  54  -2.053  -7.119   0.909
  407   2HG2  THR  54          2HG2      THR  54  -0.348  -6.722   0.678
  408   3HG2  THR  54          3HG2      THR  54  -0.838  -8.419   0.930
  409    H    LEU  55           H        LEU  55   1.155  -5.092   3.755
  410    HA   LEU  55           HA       LEU  55   2.189  -4.594   1.108
  411   1HB   LEU  55          2HB       LEU  55   1.046  -3.091   3.303
  412   2HB   LEU  55          3HB       LEU  55   2.523  -2.294   2.797
  413    HG   LEU  55           HG       LEU  55  -0.047  -2.720   1.333
  414   1HD1  LEU  55          1HD1      LEU  55   0.277  -0.772   2.733
  415   2HD1  LEU  55          2HD1      LEU  55   1.839  -0.394   1.977
  416   3HD1  LEU  55          3HD1      LEU  55   0.374  -0.232   1.027
  417   1HD2  LEU  55          1HD2      LEU  55   1.065  -1.622  -0.635
  418   2HD2  LEU  55          2HD2      LEU  55   2.639  -2.082   0.063
  419   3HD2  LEU  55          3HD2      LEU  55   1.452  -3.328  -0.432
  420    H    LYS  56           H        LYS  56   3.553  -5.124   4.366
  421    HA   LYS  56           HA       LYS  56   6.278  -4.694   3.819
  422   1HB   LYS  56          2HB       LYS  56   4.631  -6.413   5.605
  423   2HB   LYS  56          3HB       LYS  56   6.175  -7.100   5.190
  424   1HG   LYS  56          2HG       LYS  56   6.335  -5.939   7.191
  425   2HG   LYS  56          3HG       LYS  56   7.384  -5.137   6.027
  426   1HD   LYS  56          2HD       LYS  56   4.571  -4.171   6.712
  427   2HD   LYS  56          3HD       LYS  56   5.909  -3.808   7.782
  428   1HE   LYS  56          2HE       LYS  56   5.671  -2.860   4.889
  429   2HE   LYS  56          3HE       LYS  56   5.340  -1.919   6.333
  430   1HZ   LYS  56          1HZ       LYS  56   7.981  -2.966   5.583
  431   2HZ   LYS  56          2HZ       LYS  56   7.490  -1.397   5.590
  432   3HZ   LYS  56          3HZ       LYS  56   7.641  -2.202   7.006
  433    H    LYS  57           H        LYS  57   4.155  -7.244   2.392
  434    HA   LYS  57           HA       LYS  57   6.373  -8.875   1.568
  435   1HB   LYS  57          2HB       LYS  57   3.664  -8.713   0.221
  436   2HB   LYS  57          3HB       LYS  57   4.833 -10.024   0.138
  437   1HG   LYS  57          2HG       LYS  57   3.218  -9.203   2.583
  438   2HG   LYS  57          3HG       LYS  57   2.987 -10.626   1.576
  439   1HD   LYS  57          2HD       LYS  57   5.263 -11.435   2.274
  440   2HD   LYS  57          3HD       LYS  57   5.397 -10.017   3.345
  441   1HE   LYS  57          2HE       LYS  57   3.306 -10.725   4.527
  442   2HE   LYS  57          3HE       LYS  57   3.227 -12.170   3.508
  443   1HZ   LYS  57          1HZ       LYS  57   5.335 -12.858   4.450
  444   2HZ   LYS  57          2HZ       LYS  57   5.393 -11.507   5.396
  445   3HZ   LYS  57          3HZ       LYS  57   4.213 -12.625   5.629
  446    H    THR  58           H        THR  58   5.258  -5.810   0.332
  447    HA   THR  58           HA       THR  58   6.351  -6.083  -2.374
  448    HB   THR  58           HB       THR  58   6.180  -3.750  -2.506
  449    HG1  THR  58           1HG      THR  58   5.682  -3.586   0.280
  450   1HG2  THR  58          1HG2      THR  58   3.902  -4.701  -0.726
  451   2HG2  THR  58          2HG2      THR  58   3.869  -3.314  -1.791
  452   3HG2  THR  58          3HG2      THR  58   4.052  -4.953  -2.468
  453    H    GLY  59           H        GLY  59   7.626  -5.501   0.837
  454   1HA   GLY  59          2HA       GLY  59   9.645  -5.173   1.648
  455   2HA   GLY  59          3HA       GLY  59  10.260  -6.202   0.332
  456    H    LYS  60           H        LYS  60   8.664  -3.082  -0.169
  457    HA   LYS  60           HA       LYS  60  11.166  -1.833  -1.179
  458   1HB   LYS  60          2HB       LYS  60   8.419  -0.613  -0.829
  459   2HB   LYS  60          3HB       LYS  60   9.715  -0.010  -1.860
  460   1HG   LYS  60          2HG       LYS  60   7.991  -2.485  -2.269
  461   2HG   LYS  60          3HG       LYS  60   7.935  -0.993  -3.194
  462   1HD   LYS  60          2HD       LYS  60  10.102  -3.125  -3.195
  463   2HD   LYS  60          3HD       LYS  60   9.005  -2.672  -4.498
  464   1HE   LYS  60          2HE       LYS  60  10.095  -0.253  -4.266
  465   2HE   LYS  60          3HE       LYS  60  11.379  -1.089  -3.381
  466   1HZ   LYS  60          1HZ       LYS  60  11.536  -2.507  -5.464
  467   2HZ   LYS  60          2HZ       LYS  60  10.595  -1.334  -6.188
  468   3HZ   LYS  60          3HZ       LYS  60  12.042  -0.939  -5.565
  469    H    THR  61           H        THR  61  11.183   0.671  -0.280
  470    HA   THR  61           HA       THR  61  11.419   0.735   2.543
  471    HB   THR  61           HB       THR  61  11.045   3.109   0.805
  472    HG1  THR  61           1HG      THR  61  13.043   2.780  -0.119
  473   1HG2  THR  61          1HG2      THR  61  11.658   3.436   3.196
  474   2HG2  THR  61          2HG2      THR  61  13.112   2.441   2.946
  475   3HG2  THR  61          3HG2      THR  61  12.944   3.997   2.110
  476    H    VAL  62           H        VAL  62   8.945  -0.347   2.300
  477    HA   VAL  62           HA       VAL  62   6.857   1.708   2.231
  478    HB   VAL  62           HB       VAL  62   6.240  -0.185   1.070
  479   1HG1  VAL  62          1HG1      VAL  62   6.080  -2.449   2.216
  480   2HG1  VAL  62          2HG1      VAL  62   7.680  -1.925   1.687
  481   3HG1  VAL  62          3HG1      VAL  62   7.234  -1.824   3.402
  482   1HG2  VAL  62          1HG2      VAL  62   4.241  -0.893   2.124
  483   2HG2  VAL  62          2HG2      VAL  62   4.860  -0.550   3.751
  484   3HG2  VAL  62          3HG2      VAL  62   4.513   0.782   2.626
  485    H    SER  63           H        SER  63   6.041   2.733   3.970
  486    HA   SER  63           HA       SER  63   6.082   1.434   6.609
  487   1HB   SER  63          2HB       SER  63   7.601   3.992   5.974
  488   2HB   SER  63          3HB       SER  63   7.112   3.538   7.618
  489    HG   SER  63           HG       SER  63   8.460   1.655   6.010
  490    H    TYR  64           H        TYR  64   4.585   2.243   8.009
  491    HA   TYR  64           HA       TYR  64   2.262   3.258   6.604
  492   1HB   TYR  64          2HB       TYR  64   2.224   1.195   7.956
  493   2HB   TYR  64          3HB       TYR  64   2.691   2.110   9.390
  494    HD1  TYR  64           HD1      TYR  64   0.856   1.959  10.893
  495    HD2  TYR  64           HD2      TYR  64   0.100   2.768   6.727
  496    HE1  TYR  64           HE1      TYR  64  -1.537   2.332  11.390
  497    HE2  TYR  64           HE2      TYR  64  -2.209   3.363   7.270
  498    HH   TYR  64           HH       TYR  64  -3.633   2.809  10.502
  499    H    LEU  65           H        LEU  65   1.050   5.049   7.165
  500    HA   LEU  65           HA       LEU  65   2.209   7.044   9.063
  501   1HB   LEU  65          2HB       LEU  65   0.558   7.425   6.564
  502   2HB   LEU  65          3HB       LEU  65   0.848   8.661   7.781
  503    HG   LEU  65           HG       LEU  65   3.410   7.998   7.486
  504   1HD1  LEU  65          1HD1      LEU  65   2.146   7.153   4.853
  505   2HD1  LEU  65          2HD1      LEU  65   3.871   7.537   5.077
  506   3HD1  LEU  65          3HD1      LEU  65   3.158   6.166   5.919
  507   1HD2  LEU  65          1HD2      LEU  65   2.469  10.170   7.174
  508   2HD2  LEU  65          2HD2      LEU  65   3.581   9.806   5.839
  509   3HD2  LEU  65          3HD2      LEU  65   1.817   9.723   5.577
  510    H    GLY  66           H        GLY  66   0.142   8.542   9.679
  511   1HA   GLY  66          2HA       GLY  66  -1.132   7.086  11.710
  512   2HA   GLY  66          3HA       GLY  66  -1.589   8.703  11.150
  513    H    LEU  67           H        LEU  67  -3.374   6.798  12.097
  514    HA   LEU  67           HA       LEU  67  -4.929   5.634   9.904
  515   1HB   LEU  67          2HB       LEU  67  -4.823   4.560  12.121
  516   2HB   LEU  67          3HB       LEU  67  -5.339   6.060  12.898
  517    HG   LEU  67           HG       LEU  67  -7.573   5.867  11.782
  518   1HD1  LEU  67          1HD1      LEU  67  -8.168   3.635  10.837
  519   2HD1  LEU  67          2HD1      LEU  67  -7.000   4.506   9.835
  520   3HD1  LEU  67          3HD1      LEU  67  -6.448   3.179  10.881
  521   1HD2  LEU  67          1HD2      LEU  67  -6.662   3.513  13.481
  522   2HD2  LEU  67          2HD2      LEU  67  -7.227   5.088  14.069
  523   3HD2  LEU  67          3HD2      LEU  67  -8.348   4.012  13.221
  524    H    GLU  68           H        GLU  68  -6.883   6.585   9.085
  525    HA   GLU  68           HA       GLU  68  -7.994   8.938  10.413
  526   1HB   GLU  68          2HB       GLU  68  -7.547   8.703   7.423
  527   2HB   GLU  68          3HB       GLU  68  -8.504   9.951   8.218
  528   1HG   GLU  68          2HG       GLU  68  -6.483  10.887   9.271
  529   2HG   GLU  68          3HG       GLU  68  -5.488   9.590   8.583
  Start of MODEL   24
    1   1H    MET   1           H1       MET   1 -13.585   5.832   3.696
    2   2H    MET   1           H2       MET   1 -15.219   5.660   3.847
    3   3H    MET   1           H3       MET   1 -14.369   6.782   4.763
    4    HA   MET   1           HA       MET   1 -14.885   4.892   6.132
    5   1HB   MET   1          2HB       MET   1 -13.539   3.460   3.795
    6   2HB   MET   1          3HB       MET   1 -13.620   2.710   5.373
    7   1HG   MET   1          2HG       MET   1 -15.497   1.929   4.079
    8   2HG   MET   1          3HG       MET   1 -16.077   2.938   5.397
    9   1HE   MET   1          1HE       MET   1 -14.635   3.968   1.788
   10   2HE   MET   1          2HE       MET   1 -15.660   2.534   1.544
   11   3HE   MET   1          3HE       MET   1 -16.179   4.120   0.928
   12    HA   PRO   2           HA       PRO   2 -10.953   5.775   8.098
   13   1HB   PRO   2          2HB       PRO   2 -10.076   3.275   9.008
   14   2HB   PRO   2          3HB       PRO   2 -11.200   4.363   9.882
   15   1HG   PRO   2          2HG       PRO   2 -11.862   2.019   8.081
   16   2HG   PRO   2          3HG       PRO   2 -12.579   2.414   9.673
   17   1HD   PRO   2          2HD       PRO   2 -13.912   3.052   7.462
   18   2HD   PRO   2          3HD       PRO   2 -13.770   4.280   8.736
   19    H    LYS   3           H        LYS   3  -8.929   6.037   7.242
   20    HA   LYS   3           HA       LYS   3  -7.958   4.068   5.241
   21   1HB   LYS   3          2HB       LYS   3  -7.249   6.037   3.835
   22   2HB   LYS   3          3HB       LYS   3  -8.985   5.700   3.891
   23   1HG   LYS   3          2HG       LYS   3  -9.280   7.553   5.501
   24   2HG   LYS   3          3HG       LYS   3  -7.525   7.861   5.426
   25   1HD   LYS   3          2HD       LYS   3  -7.900   8.043   2.839
   26   2HD   LYS   3          3HD       LYS   3  -9.621   8.141   3.214
   27   1HE   LYS   3          2HE       LYS   3  -7.390  10.032   4.127
   28   2HE   LYS   3          3HE       LYS   3  -8.612  10.393   2.910
   29   1HZ   LYS   3          1HZ       LYS   3 -10.273  10.440   4.624
   30   2HZ   LYS   3          2HZ       LYS   3  -9.241   9.847   5.748
   31   3HZ   LYS   3          3HZ       LYS   3  -8.972  11.314   5.169
   32    H    HIS   4           H        HIS   4  -5.721   4.205   4.804
   33    HA   HIS   4           HA       HIS   4  -4.031   5.271   7.014
   34   1HB   HIS   4          2HB       HIS   4  -4.180   2.355   6.034
   35   2HB   HIS   4          3HB       HIS   4  -2.737   3.058   6.711
   36    HD1  HIS   4           1HD      HIS   4  -5.594   4.527   8.539
   37    HD2  HIS   4           2HD      HIS   4  -3.052   1.191   8.637
   38    HE1  HIS   4           1HE      HIS   4  -5.554   3.696  10.964
   39    H    GLU   5           H        GLU   5  -2.524   6.528   6.141
   40    HA   GLU   5           HA       GLU   5  -1.850   6.228   3.277
   41   1HB   GLU   5          2HB       GLU   5  -1.959   8.494   4.206
   42   2HB   GLU   5          3HB       GLU   5  -0.711   8.078   5.391
   43   1HG   GLU   5          2HG       GLU   5   0.906   7.648   3.571
   44   2HG   GLU   5          3HG       GLU   5  -0.367   7.919   2.370
   45    H    PHE   6           H        PHE   6  -0.153   5.081   2.606
   46    HA   PHE   6           HA       PHE   6   1.979   4.321   4.525
   47   1HB   PHE   6          2HB       PHE   6   0.794   2.680   2.279
   48   2HB   PHE   6          3HB       PHE   6   2.423   2.410   2.892
   49    HD1  PHE   6           1HD      PHE   6   2.757   0.847   4.596
   50    HD2  PHE   6           2HD      PHE   6  -1.182   2.552   4.095
   51    HE1  PHE   6           1HE      PHE   6   1.821  -0.823   6.132
   52    HE2  PHE   6           2HE      PHE   6  -2.086   0.918   5.687
   53    HZ   PHE   6           HZ       PHE   6  -0.618  -0.812   6.677
   54    H    SER   7           H        SER   7   4.007   4.952   3.824
   55    HA   SER   7           HA       SER   7   4.139   6.377   1.179
   56   1HB   SER   7          2HB       SER   7   4.547   7.884   3.015
   57   2HB   SER   7          3HB       SER   7   5.881   6.877   3.602
   58    HG   SER   7           HG       SER   7   6.585   8.584   2.229
   59    H    VAL   8           H        VAL   8   5.387   5.449  -0.318
   60    HA   VAL   8           HA       VAL   8   6.623   2.800   0.328
   61    HB   VAL   8           HB       VAL   8   4.311   3.405  -1.558
   62   1HG1  VAL   8          1HG1      VAL   8   4.119   1.088  -2.025
   63   2HG1  VAL   8          2HG1      VAL   8   5.834   1.459  -2.258
   64   3HG1  VAL   8          3HG1      VAL   8   5.285   0.653  -0.779
   65   1HG2  VAL   8          1HG2      VAL   8   3.080   1.765   0.092
   66   2HG2  VAL   8          2HG2      VAL   8   4.375   2.184   1.222
   67   3HG2  VAL   8          3HG2      VAL   8   3.314   3.447   0.568
   68    H    ASP   9           H        ASP   9   8.367   2.510  -0.894
   69    HA   ASP   9           HA       ASP   9   9.542   4.357  -2.511
   70   1HB   ASP   9          2HB       ASP   9  10.044   1.345  -2.471
   71   2HB   ASP   9          3HB       ASP   9  11.231   2.606  -2.889
   72    H    MET  10           H        MET  10   7.219   4.375  -4.001
   73    HA   MET  10           HA       MET  10   7.465   2.508  -6.221
   74   1HB   MET  10          2HB       MET  10   5.370   4.624  -5.704
   75   2HB   MET  10          3HB       MET  10   5.332   3.370  -6.961
   76   1HG   MET  10          2HG       MET  10   5.541   1.634  -5.124
   77   2HG   MET  10          3HG       MET  10   5.256   2.944  -3.969
   78   1HE   MET  10          1HE       MET  10   1.614   4.018  -4.863
   79   2HE   MET  10          2HE       MET  10   3.112   4.421  -3.992
   80   3HE   MET  10          3HE       MET  10   3.020   4.622  -5.763
   81    H    THR  11           H        THR  11   9.568   3.317  -6.818
   82    HA   THR  11           HA       THR  11   9.686   6.067  -7.859
   83    HB   THR  11           HB       THR  11  11.818   3.952  -7.502
   84    HG1  THR  11           1HG      THR  11  11.159   4.705  -5.580
   85   1HG2  THR  11          1HG2      THR  11  12.621   5.409  -9.246
   86   2HG2  THR  11          2HG2      THR  11  12.039   6.859  -8.413
   87   3HG2  THR  11          3HG2      THR  11  13.384   5.913  -7.733
   88    H    CYS  12           HN       CYS  12   9.064   2.947  -9.313
   89    HA   CYS  12           HA       CYS  12   8.621   4.392 -11.778
   90   1HB   CYS  12          2HB       CYS  12   9.775   2.621 -13.146
   91   2HB   CYS  12          3HB       CYS  12  10.846   3.735 -12.302
   92    H    GLY  13           H        GLY  13   7.327   3.060 -13.233
   93   1HA   GLY  13          2HA       GLY  13   4.952   2.289 -12.237
   94   2HA   GLY  13          3HA       GLY  13   5.611   1.597 -13.726
   95    H    GLY  14           H        GLY  14   7.568   0.000 -12.994
   96   1HA   GLY  14          2HA       GLY  14   6.587  -2.414 -12.337
   97   2HA   GLY  14          3HA       GLY  14   8.255  -1.919 -11.983
   98    H    CYS  15           HN       CYS  15   7.650   0.028  -9.910
   99    HA   CYS  15           HA       CYS  15   7.467  -1.802  -7.660
  100   1HB   CYS  15          2HB       CYS  15   7.404   1.200  -7.859
  101   2HB   CYS  15          3HB       CYS  15   7.589   0.266  -6.351
  102    H    ALA  16           H        ALA  16   5.281   0.580  -9.224
  103    HA   ALA  16           HA       ALA  16   3.212   0.398  -7.186
  104   1HB   ALA  16          1HB       ALA  16   3.304   2.351  -8.621
  105   2HB   ALA  16          2HB       ALA  16   3.109   1.350 -10.081
  106   3HB   ALA  16          3HB       ALA  16   1.791   1.475  -8.906
  107    H    GLU  17           H        GLU  17   3.823  -1.114 -10.364
  108    HA   GLU  17           HA       GLU  17   1.620  -2.871 -10.470
  109   1HB   GLU  17          2HB       GLU  17   4.488  -3.225 -11.426
  110   2HB   GLU  17          3HB       GLU  17   3.141  -4.244 -11.927
  111   1HG   GLU  17          2HG       GLU  17   2.099  -2.504 -13.140
  112   2HG   GLU  17          3HG       GLU  17   2.995  -1.224 -12.320
  113    H    ALA  18           H        ALA  18   4.886  -3.386  -9.007
  114    HA   ALA  18           HA       ALA  18   4.381  -5.962  -7.993
  115   1HB   ALA  18          1HB       ALA  18   6.196  -3.817  -6.821
  116   2HB   ALA  18          2HB       ALA  18   6.298  -5.556  -6.510
  117   3HB   ALA  18          3HB       ALA  18   6.643  -4.931  -8.139
  118    H    VAL  19           H        VAL  19   3.876  -2.768  -6.359
  119    HA   VAL  19           HA       VAL  19   3.049  -3.849  -3.888
  120    HB   VAL  19           HB       VAL  19   2.462  -1.249  -5.385
  121   1HG1  VAL  19          1HG1      VAL  19   1.632  -2.246  -2.668
  122   2HG1  VAL  19          2HG1      VAL  19   1.745  -0.489  -3.041
  123   3HG1  VAL  19          3HG1      VAL  19   0.614  -1.502  -3.943
  124   1HG2  VAL  19          1HG2      VAL  19   4.122  -0.256  -4.075
  125   2HG2  VAL  19          2HG2      VAL  19   4.081  -1.525  -2.854
  126   3HG2  VAL  19          3HG2      VAL  19   4.855  -1.828  -4.420
  127    H    SER  20           H        SER  20   1.299  -2.878  -6.818
  128    HA   SER  20           HA       SER  20  -1.323  -3.371  -5.910
  129   1HB   SER  20          2HB       SER  20  -0.546  -2.166  -8.018
  130   2HB   SER  20          3HB       SER  20  -0.213  -3.684  -8.774
  131    HG   SER  20           HG       SER  20  -2.777  -3.056  -7.753
  132    H    ARG  21           H        ARG  21   0.843  -5.481  -7.717
  133    HA   ARG  21           HA       ARG  21  -0.538  -7.881  -7.706
  134   1HB   ARG  21          2HB       ARG  21   1.492  -8.553  -8.435
  135   2HB   ARG  21          3HB       ARG  21   2.234  -7.096  -7.828
  136   1HG   ARG  21          2HG       ARG  21   2.537  -8.238  -5.586
  137   2HG   ARG  21          3HG       ARG  21   1.974  -9.734  -6.340
  138   1HD   ARG  21          2HD       ARG  21   3.927  -9.719  -7.789
  139   2HD   ARG  21          3HD       ARG  21   4.366  -8.085  -7.317
  140    HE   ARG  21           HE       ARG  21   4.964 -10.538  -5.920
  141   1HH1  ARG  21          2HH2      ARG  21   4.346  -7.077  -5.294
  142   2HH1  ARG  21          1HH2      ARG  21   5.428  -7.020  -3.934
  143   1HH2  ARG  21          2HH1      ARG  21   6.267 -10.438  -3.989
  144   2HH2  ARG  21          1HH1      ARG  21   6.308  -8.983  -3.039
  145    H    VAL  22           H        VAL  22   1.107  -6.458  -4.893
  146    HA   VAL  22           HA       VAL  22   0.650  -8.763  -3.211
  147    HB   VAL  22           HB       VAL  22   2.195  -6.243  -3.248
  148   1HG1  VAL  22          1HG1      VAL  22   2.418  -5.942  -0.847
  149   2HG1  VAL  22          2HG1      VAL  22   0.879  -5.370  -1.493
  150   3HG1  VAL  22          3HG1      VAL  22   0.955  -6.914  -0.589
  151   1HG2  VAL  22          1HG2      VAL  22   3.055  -8.519  -3.303
  152   2HG2  VAL  22          2HG2      VAL  22   3.713  -7.512  -1.988
  153   3HG2  VAL  22          3HG2      VAL  22   2.466  -8.767  -1.657
  154    H    LEU  23           H        LEU  23  -0.605  -5.442  -3.209
  155    HA   LEU  23           HA       LEU  23  -2.504  -5.956  -1.094
  156   1HB   LEU  23          2HB       LEU  23  -1.773  -3.735  -2.922
  157   2HB   LEU  23          3HB       LEU  23  -3.433  -3.714  -2.456
  158    HG   LEU  23           HG       LEU  23  -1.079  -4.013  -0.505
  159   1HD1  LEU  23          1HD1      LEU  23  -2.684  -1.552  -1.220
  160   2HD1  LEU  23          2HD1      LEU  23  -1.341  -1.601  -0.084
  161   3HD1  LEU  23          3HD1      LEU  23  -1.034  -1.840  -1.818
  162   1HD2  LEU  23          1HD2      LEU  23  -2.771  -3.232   1.150
  163   2HD2  LEU  23          2HD2      LEU  23  -3.973  -3.154  -0.164
  164   3HD2  LEU  23          3HD2      LEU  23  -3.347  -4.719   0.377
  165    H    ASN  24           H        ASN  24  -2.550  -6.449  -4.612
  166    HA   ASN  24           HA       ASN  24  -5.396  -6.720  -4.864
  167   1HB   ASN  24          2HB       ASN  24  -4.019  -6.456  -6.928
  168   2HB   ASN  24          3HB       ASN  24  -3.121  -7.917  -6.516
  169   1HD2  ASN  24          1HD2      ASN  24  -6.662  -7.217  -6.327
  170   2HD2  ASN  24          2HD2      ASN  24  -7.094  -8.612  -7.290
  171    H    LYS  25           H        LYS  25  -2.701  -9.016  -4.266
  172    HA   LYS  25           HA       LYS  25  -4.318 -11.344  -4.238
  173   1HB   LYS  25          2HB       LYS  25  -1.545 -10.596  -3.554
  174   2HB   LYS  25          3HB       LYS  25  -2.205 -11.787  -2.472
  175   1HG   LYS  25          2HG       LYS  25  -1.198 -12.948  -4.352
  176   2HG   LYS  25          3HG       LYS  25  -2.937 -13.152  -4.494
  177   1HD   LYS  25          2HD       LYS  25  -2.251 -10.732  -5.938
  178   2HD   LYS  25          3HD       LYS  25  -0.999 -11.898  -6.297
  179   1HE   LYS  25          2HE       LYS  25  -2.529 -12.231  -8.011
  180   2HE   LYS  25          3HE       LYS  25  -2.938 -13.538  -6.895
  181   1HZ   LYS  25          1HZ       LYS  25  -4.887 -12.407  -7.691
  182   2HZ   LYS  25          2HZ       LYS  25  -4.752 -12.073  -6.091
  183   3HZ   LYS  25          3HZ       LYS  25  -4.350 -10.940  -7.219
  184    H    LEU  26           H        LEU  26  -3.754  -8.942  -1.733
  185    HA   LEU  26           HA       LEU  26  -5.521 -10.168   0.224
  186   1HB   LEU  26          2HB       LEU  26  -3.912  -8.249   0.557
  187   2HB   LEU  26          3HB       LEU  26  -5.032  -7.207  -0.284
  188    HG   LEU  26           HG       LEU  26  -5.438  -6.705   1.862
  189   1HD1  LEU  26          1HD1      LEU  26  -7.476  -8.908   1.580
  190   2HD1  LEU  26          2HD1      LEU  26  -7.628  -7.342   2.409
  191   3HD1  LEU  26          3HD1      LEU  26  -7.510  -7.390   0.648
  192   1HD2  LEU  26          1HD2      LEU  26  -5.317  -9.622   2.648
  193   2HD2  LEU  26          2HD2      LEU  26  -4.077  -8.364   2.934
  194   3HD2  LEU  26          3HD2      LEU  26  -5.674  -8.221   3.690
  195    H    GLY  27           H        GLY  27  -6.084  -7.515  -2.170
  196   1HA   GLY  27          2HA       GLY  27  -7.701  -7.393  -3.802
  197   2HA   GLY  27          3HA       GLY  27  -8.507  -8.827  -3.166
  198    H    GLY  28           H        GLY  28  -9.130  -8.213  -0.619
  199   1HA   GLY  28          2HA       GLY  28 -11.401  -6.422  -0.890
  200   2HA   GLY  28          3HA       GLY  28 -10.825  -7.204   0.590
  201    H    VAL  29           H        VAL  29  -9.577  -4.736  -1.709
  202    HA   VAL  29           HA       VAL  29  -9.186  -2.774   0.481
  203    HB   VAL  29           HB       VAL  29  -6.832  -2.421  -0.269
  204   1HG1  VAL  29          1HG1      VAL  29  -7.367  -3.970   1.662
  205   2HG1  VAL  29          2HG1      VAL  29  -7.223  -5.326   0.522
  206   3HG1  VAL  29          3HG1      VAL  29  -5.824  -4.331   0.832
  207   1HG2  VAL  29          1HG2      VAL  29  -7.022  -5.114  -1.684
  208   2HG2  VAL  29          2HG2      VAL  29  -7.122  -3.594  -2.570
  209   3HG2  VAL  29          3HG2      VAL  29  -5.658  -3.979  -1.629
  210    H    LYS  30           H        LYS  30  -9.000  -0.547  -0.248
  211    HA   LYS  30           HA       LYS  30  -8.844  -0.192  -3.177
  212   1HB   LYS  30          2HB       LYS  30 -11.084   0.437  -2.774
  213   2HB   LYS  30          3HB       LYS  30 -10.658   1.331  -1.315
  214   1HG   LYS  30          2HG       LYS  30 -11.245   2.767  -3.188
  215   2HG   LYS  30          3HG       LYS  30  -9.662   3.116  -2.546
  216   1HD   LYS  30          2HD       LYS  30 -10.074   1.486  -5.130
  217   2HD   LYS  30          3HD       LYS  30  -9.977   3.258  -5.083
  218   1HE   LYS  30          2HE       LYS  30  -7.749   2.915  -3.827
  219   2HE   LYS  30          3HE       LYS  30  -7.842   1.256  -4.508
  220   1HZ   LYS  30          1HZ       LYS  30  -7.642   3.753  -6.037
  221   2HZ   LYS  30          2HZ       LYS  30  -6.543   2.556  -5.810
  222   3HZ   LYS  30          3HZ       LYS  30  -7.904   2.259  -6.695
  223    H    TYR  31           H        TYR  31  -6.721  -0.017  -3.068
  224    HA   TYR  31           HA       TYR  31  -5.453   2.041  -1.363
  225   1HB   TYR  31          2HB       TYR  31  -3.371   0.912  -1.843
  226   2HB   TYR  31          3HB       TYR  31  -4.525  -0.163  -1.063
  227    HD1  TYR  31           HD1      TYR  31  -5.871  -1.770  -2.543
  228    HD2  TYR  31           HD2      TYR  31  -2.285   0.199  -3.850
  229    HE1  TYR  31           HE1      TYR  31  -5.754  -3.307  -4.490
  230    HE2  TYR  31           HE2      TYR  31  -2.146  -1.332  -5.775
  231    HH   TYR  31           HH       TYR  31  -4.573  -3.918  -6.342
  232    H    ASP  32           H        ASP  32  -4.934   3.925  -2.383
  233    HA   ASP  32           HA       ASP  32  -4.759   3.806  -5.359
  234   1HB   ASP  32          2HB       ASP  32  -6.704   5.232  -4.099
  235   2HB   ASP  32          3HB       ASP  32  -5.416   6.450  -4.192
  236    H    ILE  33           H        ILE  33  -3.382   5.330  -6.374
  237    HA   ILE  33           HA       ILE  33  -0.814   4.566  -5.008
  238    HB   ILE  33           HB       ILE  33  -2.179   3.781  -7.581
  239   1HG1  ILE  33          2HG1      ILE  33  -1.002   1.874  -5.527
  240   2HG1  ILE  33          3HG1      ILE  33  -2.553   2.622  -5.187
  241   1HG2  ILE  33          1HG2      ILE  33   0.664   3.096  -6.782
  242   2HG2  ILE  33          2HG2      ILE  33  -0.262   2.323  -8.088
  243   3HG2  ILE  33          3HG2      ILE  33   0.140   4.037  -8.197
  244   1HD1  ILE  33          1HD1      ILE  33  -3.383   0.785  -6.245
  245   2HD1  ILE  33          2HD1      ILE  33  -3.347   1.908  -7.557
  246   3HD1  ILE  33          3HD1      ILE  33  -2.051   0.683  -7.428
  247    H    ASP  34           H        ASP  34   0.316   6.442  -4.920
  248    HA   ASP  34           HA       ASP  34   0.477   8.108  -7.403
  249   1HB   ASP  34          2HB       ASP  34  -0.353   9.209  -5.312
  250   2HB   ASP  34          3HB       ASP  34   1.257   8.946  -4.614
  251    H    LEU  35           H        LEU  35   2.148   7.582  -8.562
  252    HA   LEU  35           HA       LEU  35   4.498   6.175  -7.583
  253   1HB   LEU  35          2HB       LEU  35   3.487   7.198 -10.226
  254   2HB   LEU  35          3HB       LEU  35   5.208   6.880 -10.051
  255    HG   LEU  35           HG       LEU  35   3.260   4.753  -9.146
  256   1HD1  LEU  35          1HD1      LEU  35   3.117   3.831 -11.430
  257   2HD1  LEU  35          2HD1      LEU  35   2.339   5.420 -11.325
  258   3HD1  LEU  35          3HD1      LEU  35   3.948   5.263 -12.069
  259   1HD2  LEU  35          1HD2      LEU  35   5.039   3.237 -10.012
  260   2HD2  LEU  35          2HD2      LEU  35   5.920   4.631 -10.659
  261   3HD2  LEU  35          3HD2      LEU  35   5.738   4.431  -8.914
  262    HA   PRO  36           HA       PRO  36   6.859  10.192  -8.653
  263   1HB   PRO  36          2HB       PRO  36   5.480  12.618  -8.670
  264   2HB   PRO  36          3HB       PRO  36   5.931  11.653 -10.104
  265   1HG   PRO  36          2HG       PRO  36   3.294  11.678  -8.639
  266   2HG   PRO  36          3HG       PRO  36   3.572  11.728 -10.400
  267   1HD   PRO  36          2HD       PRO  36   2.909   9.449  -9.184
  268   2HD   PRO  36          3HD       PRO  36   4.169   9.426 -10.453
  269    H    ASN  37           H        ASN  37   4.077  10.359  -6.438
  270    HA   ASN  37           HA       ASN  37   5.775  11.683  -4.369
  271   1HB   ASN  37          2HB       ASN  37   2.812  11.040  -4.261
  272   2HB   ASN  37          3HB       ASN  37   3.751  11.938  -3.087
  273   1HD2  ASN  37          1HD2      ASN  37   2.580  12.040  -6.449
  274   2HD2  ASN  37          2HD2      ASN  37   2.676  13.796  -6.601
  275    H    LYS  38           H        LYS  38   5.357   8.524  -5.353
  276    HA   LYS  38           HA       LYS  38   5.738   6.513  -4.348
  277   1HB   LYS  38          2HB       LYS  38   7.446   8.420  -2.664
  278   2HB   LYS  38          3HB       LYS  38   7.538   6.690  -2.504
  279   1HG   LYS  38          2HG       LYS  38   9.207   6.922  -3.983
  280   2HG   LYS  38          3HG       LYS  38   7.872   6.716  -5.132
  281   1HD   LYS  38          2HD       LYS  38   7.670   9.232  -5.213
  282   2HD   LYS  38          3HD       LYS  38   9.124   9.365  -4.238
  283   1HE   LYS  38          2HE       LYS  38   8.831   8.083  -7.011
  284   2HE   LYS  38          3HE       LYS  38   9.523   9.668  -6.659
  285   1HZ   LYS  38          1HZ       LYS  38  11.219   8.473  -5.309
  286   2HZ   LYS  38          2HZ       LYS  38  10.707   7.042  -5.951
  287   3HZ   LYS  38          3HZ       LYS  38  11.296   8.206  -6.924
  288    H    LYS  39           H        LYS  39   3.247   6.719  -3.766
  289    HA   LYS  39           HA       LYS  39   3.004   6.399  -0.839
  290   1HB   LYS  39          2HB       LYS  39   3.019   8.803  -1.142
  291   2HB   LYS  39          3HB       LYS  39   1.841   8.697  -2.456
  292   1HG   LYS  39          2HG       LYS  39   0.089   7.976  -0.960
  293   2HG   LYS  39          3HG       LYS  39   1.220   7.867   0.401
  294   1HD   LYS  39          2HD       LYS  39   0.486  10.425  -1.128
  295   2HD   LYS  39          3HD       LYS  39  -0.202   9.888   0.412
  296   1HE   LYS  39          2HE       LYS  39   2.394   9.756   1.113
  297   2HE   LYS  39          3HE       LYS  39   2.591  10.961  -0.164
  298   1HZ   LYS  39          1HZ       LYS  39   1.609  12.497   1.250
  299   2HZ   LYS  39          2HZ       LYS  39   0.449  11.393   1.757
  300   3HZ   LYS  39          3HZ       LYS  39   1.859  11.301   2.417
  301    H    VAL  40           H        VAL  40   1.309   5.293  -0.201
  302    HA   VAL  40           HA       VAL  40  -0.670   4.318  -2.196
  303    HB   VAL  40           HB       VAL  40   0.655   2.766   0.056
  304   1HG1  VAL  40          1HG1      VAL  40  -1.359   1.941  -2.071
  305   2HG1  VAL  40          2HG1      VAL  40  -0.603   0.852  -0.885
  306   3HG1  VAL  40          3HG1      VAL  40  -1.710   2.122  -0.336
  307   1HG2  VAL  40          1HG2      VAL  40   1.626   1.410  -1.718
  308   2HG2  VAL  40          2HG2      VAL  40   0.902   2.457  -2.963
  309   3HG2  VAL  40          3HG2      VAL  40   2.155   3.088  -1.873
  310    H    CYS  41           H        CYS  41  -2.483   5.399  -1.611
  311    HA   CYS  41           HA       CYS  41  -3.167   5.893   1.267
  312   1HB   CYS  41          2HB       CYS  41  -4.592   6.647  -1.321
  313   2HB   CYS  41          3HB       CYS  41  -5.122   7.070   0.318
  314    HG   CYS  41           HG       CYS  41  -2.313   7.890  -1.175
  315    H    ILE  42           H        ILE  42  -3.569   3.930   2.127
  316    HA   ILE  42           HA       ILE  42  -5.303   2.101   0.720
  317    HB   ILE  42           HB       ILE  42  -3.589   2.176   3.116
  318   1HG1  ILE  42          2HG1      ILE  42  -4.393  -0.206   1.511
  319   2HG1  ILE  42          3HG1      ILE  42  -3.235   0.947   0.892
  320   1HG2  ILE  42          1HG2      ILE  42  -4.561   0.559   4.463
  321   2HG2  ILE  42          2HG2      ILE  42  -5.748   1.796   4.300
  322   3HG2  ILE  42          3HG2      ILE  42  -5.943   0.316   3.341
  323   1HD1  ILE  42          1HD1      ILE  42  -2.753  -0.467   3.543
  324   2HD1  ILE  42          2HD1      ILE  42  -2.126  -1.031   1.994
  325   3HD1  ILE  42          3HD1      ILE  42  -1.642   0.543   2.604
  326    H    GLU  43           H        GLU  43  -7.393   1.938   0.959
  327    HA   GLU  43           HA       GLU  43  -8.694   2.881   3.443
  328   1HB   GLU  43          2HB       GLU  43  -9.198   4.548   1.610
  329   2HB   GLU  43          3HB       GLU  43  -9.920   3.230   0.676
  330   1HG   GLU  43          2HG       GLU  43 -11.549   2.842   2.533
  331   2HG   GLU  43          3HG       GLU  43 -10.814   4.160   3.457
  332    H    SER  44           H        SER  44  -9.679   1.139   4.342
  333    HA   SER  44           HA       SER  44 -11.297  -0.541   2.752
  334   1HB   SER  44          2HB       SER  44  -9.020  -1.681   2.428
  335   2HB   SER  44          3HB       SER  44  -9.054  -2.054   4.149
  336    HG   SER  44           HG       SER  44 -10.060  -3.664   2.583
  337    H    GLU  45           H        GLU  45 -12.945  -1.319   4.069
  338    HA   GLU  45           HA       GLU  45 -12.807  -0.710   6.957
  339   1HB   GLU  45          2HB       GLU  45 -14.799  -0.247   5.415
  340   2HB   GLU  45          3HB       GLU  45 -15.135  -1.985   5.468
  341   1HG   GLU  45          2HG       GLU  45 -15.507  -1.873   7.863
  342   2HG   GLU  45          3HG       GLU  45 -14.808  -0.244   7.963
  343    H    HIS  46           H        HIS  46 -10.862  -2.163   6.855
  344    HA   HIS  46           HA       HIS  46 -11.447  -5.004   7.456
  345   1HB   HIS  46          2HB       HIS  46 -11.125  -4.955   5.010
  346   2HB   HIS  46          3HB       HIS  46  -9.732  -3.883   5.221
  347    HD1  HIS  46           1HD      HIS  46 -10.458  -7.586   6.146
  348    HD2  HIS  46           2HD      HIS  46  -7.572  -4.904   4.693
  349    HE1  HIS  46           1HE      HIS  46  -8.370  -8.966   5.559
  350    H    SER  47           H        SER  47  -9.391  -6.007   8.291
  351    HA   SER  47           HA       SER  47  -8.042  -4.469  10.248
  352   1HB   SER  47          2HB       SER  47  -8.017  -6.907  10.377
  353   2HB   SER  47          3HB       SER  47  -7.279  -6.918   8.752
  354    HG   SER  47           HG       SER  47  -5.952  -5.863  11.028
  355    H    MET  48           H        MET  48  -6.398  -3.276  10.173
  356    HA   MET  48           HA       MET  48  -5.078  -2.437   7.632
  357   1HB   MET  48          2HB       MET  48  -5.013  -1.300  10.463
  358   2HB   MET  48          3HB       MET  48  -4.054  -0.702   9.102
  359   1HG   MET  48          2HG       MET  48  -7.079  -0.894   9.148
  360   2HG   MET  48          3HG       MET  48  -6.204   0.579   9.497
  361   1HE   MET  48          1HE       MET  48  -7.619   1.954   7.763
  362   2HE   MET  48          2HE       MET  48  -7.913   1.420   6.094
  363   3HE   MET  48          3HE       MET  48  -8.571   0.480   7.453
  364    H    ASP  49           H        ASP  49  -4.565  -4.043  10.706
  365    HA   ASP  49           HA       ASP  49  -1.791  -4.420  10.792
  366   1HB   ASP  49          2HB       ASP  49  -3.618  -6.725  11.488
  367   2HB   ASP  49          3HB       ASP  49  -2.272  -6.041  12.384
  368    H    THR  50           H        THR  50  -4.370  -6.362   9.329
  369    HA   THR  50           HA       THR  50  -2.813  -8.276   7.980
  370    HB   THR  50           HB       THR  50  -5.517  -7.144   7.096
  371    HG1  THR  50           1HG      THR  50  -5.463  -7.894   9.299
  372   1HG2  THR  50          1HG2      THR  50  -5.842  -9.365   6.136
  373   2HG2  THR  50          2HG2      THR  50  -4.356  -8.673   5.456
  374   3HG2  THR  50          3HG2      THR  50  -4.257  -9.905   6.728
  375    H    LEU  51           H        LEU  51  -3.775  -4.918   6.920
  376    HA   LEU  51           HA       LEU  51  -2.713  -5.336   4.267
  377   1HB   LEU  51          2HB       LEU  51  -3.276  -2.707   5.781
  378   2HB   LEU  51          3HB       LEU  51  -2.678  -2.895   4.145
  379    HG   LEU  51           HG       LEU  51  -5.415  -3.535   5.266
  380   1HD1  LEU  51          1HD1      LEU  51  -6.061  -2.265   3.228
  381   2HD1  LEU  51          2HD1      LEU  51  -4.835  -1.442   4.216
  382   3HD1  LEU  51          3HD1      LEU  51  -4.351  -2.236   2.702
  383   1HD2  LEU  51          1HD2      LEU  51  -6.004  -4.701   3.171
  384   2HD2  LEU  51          2HD2      LEU  51  -4.294  -4.777   2.721
  385   3HD2  LEU  51          3HD2      LEU  51  -4.915  -5.660   4.150
  386    H    LEU  52           H        LEU  52  -1.402  -3.811   7.250
  387    HA   LEU  52           HA       LEU  52   0.991  -2.971   6.265
  388   1HB   LEU  52          2HB       LEU  52  -0.123  -2.854   8.605
  389   2HB   LEU  52          3HB       LEU  52   0.644  -4.412   8.884
  390    HG   LEU  52           HG       LEU  52   2.665  -2.668   7.793
  391   1HD1  LEU  52          1HD1      LEU  52   1.080  -1.429  10.087
  392   2HD1  LEU  52          2HD1      LEU  52   2.583  -0.796   9.375
  393   3HD1  LEU  52          3HD1      LEU  52   1.080  -0.866   8.410
  394   1HD2  LEU  52          1HD2      LEU  52   3.711  -3.048   9.992
  395   2HD2  LEU  52          2HD2      LEU  52   2.160  -3.672  10.615
  396   3HD2  LEU  52          3HD2      LEU  52   3.012  -4.544   9.320
  397    H    ALA  53           H        ALA  53   0.240  -6.157   7.734
  398    HA   ALA  53           HA       ALA  53   2.725  -7.437   7.353
  399   1HB   ALA  53          1HB       ALA  53   1.435  -9.520   7.685
  400   2HB   ALA  53          2HB       ALA  53   0.936  -8.266   8.838
  401   3HB   ALA  53          3HB       ALA  53  -0.084  -8.633   7.431
  402    H    THR  54           H        THR  54  -0.144  -7.251   5.176
  403    HA   THR  54           HA       THR  54   1.170  -8.866   3.180
  404    HB   THR  54           HB       THR  54  -1.375  -7.263   3.308
  405    HG1  THR  54           1HG      THR  54  -1.643  -9.260   3.980
  406   1HG2  THR  54          1HG2      THR  54  -0.262  -8.443   0.736
  407   2HG2  THR  54          2HG2      THR  54  -1.925  -7.941   1.031
  408   3HG2  THR  54          3HG2      THR  54  -0.655  -6.733   1.074
  409    H    LEU  55           H        LEU  55   1.074  -5.363   3.722
  410    HA   LEU  55           HA       LEU  55   2.022  -4.784   1.076
  411   1HB   LEU  55          2HB       LEU  55   1.102  -3.353   3.393
  412   2HB   LEU  55          3HB       LEU  55   2.639  -2.631   2.836
  413    HG   LEU  55           HG       LEU  55  -0.060  -2.895   1.493
  414   1HD1  LEU  55          1HD1      LEU  55   0.294  -1.035   3.071
  415   2HD1  LEU  55          2HD1      LEU  55   1.761  -0.542   2.198
  416   3HD1  LEU  55          3HD1      LEU  55   0.182  -0.407   1.416
  417   1HD2  LEU  55          1HD2      LEU  55   2.591  -2.132   0.223
  418   2HD2  LEU  55          2HD2      LEU  55   1.379  -3.318  -0.346
  419   3HD2  LEU  55          3HD2      LEU  55   1.011  -1.594  -0.405
  420    H    LYS  56           H        LYS  56   3.538  -5.392   4.270
  421    HA   LYS  56           HA       LYS  56   6.222  -5.010   3.708
  422   1HB   LYS  56          2HB       LYS  56   4.561  -6.736   5.440
  423   2HB   LYS  56          3HB       LYS  56   6.066  -7.496   4.969
  424   1HG   LYS  56          2HG       LYS  56   6.330  -6.462   7.008
  425   2HG   LYS  56          3HG       LYS  56   7.353  -5.591   5.865
  426   1HD   LYS  56          2HD       LYS  56   4.631  -4.658   6.939
  427   2HD   LYS  56          3HD       LYS  56   6.190  -4.259   7.664
  428   1HE   LYS  56          2HE       LYS  56   6.866  -3.236   5.407
  429   2HE   LYS  56          3HE       LYS  56   5.152  -3.373   4.952
  430   1HZ   LYS  56          1HZ       LYS  56   5.699  -1.207   5.817
  431   2HZ   LYS  56          2HZ       LYS  56   4.610  -1.952   6.796
  432   3HZ   LYS  56          3HZ       LYS  56   6.194  -1.842   7.239
  433    H    LYS  57           H        LYS  57   4.141  -7.448   2.108
  434    HA   LYS  57           HA       LYS  57   6.353  -9.029   1.148
  435   1HB   LYS  57          2HB       LYS  57   3.502  -8.848   0.184
  436   2HB   LYS  57          3HB       LYS  57   4.681 -10.057  -0.327
  437   1HG   LYS  57          2HG       LYS  57   4.885 -10.817   2.036
  438   2HG   LYS  57          3HG       LYS  57   3.600  -9.708   2.519
  439   1HD   LYS  57          2HD       LYS  57   3.269 -11.820   0.340
  440   2HD   LYS  57          3HD       LYS  57   2.980 -12.202   2.027
  441   1HE   LYS  57          2HE       LYS  57   1.551  -9.792   0.942
  442   2HE   LYS  57          3HE       LYS  57   1.038 -11.341   0.281
  443   1HZ   LYS  57          1HZ       LYS  57   0.361 -12.084   2.355
  444   2HZ   LYS  57          2HZ       LYS  57   1.182 -10.922   3.176
  445   3HZ   LYS  57          3HZ       LYS  57  -0.161 -10.516   2.344
  446    H    THR  58           H        THR  58   5.471  -5.871   0.252
  447    HA   THR  58           HA       THR  58   6.562  -5.737  -2.471
  448    HB   THR  58           HB       THR  58   7.132  -3.464  -1.796
  449    HG1  THR  58           1HG      THR  58   5.954  -3.912   0.705
  450   1HG2  THR  58          1HG2      THR  58   4.337  -4.423  -1.081
  451   2HG2  THR  58          2HG2      THR  58   4.812  -2.721  -1.156
  452   3HG2  THR  58          3HG2      THR  58   4.936  -3.754  -2.605
  453    H    GLY  59           H        GLY  59   7.820  -5.737   0.834
  454   1HA   GLY  59          2HA       GLY  59   9.825  -6.101   1.724
  455   2HA   GLY  59          3HA       GLY  59  10.396  -6.879   0.227
  456    H    LYS  60           H        LYS  60   9.111  -3.543   0.678
  457    HA   LYS  60           HA       LYS  60  11.816  -2.384   0.225
  458   1HB   LYS  60          2HB       LYS  60   9.219  -1.148  -0.669
  459   2HB   LYS  60          3HB       LYS  60  10.862  -0.744  -1.123
  460   1HG   LYS  60          2HG       LYS  60  11.068  -2.995  -2.297
  461   2HG   LYS  60          3HG       LYS  60   9.363  -3.259  -1.964
  462   1HD   LYS  60          2HD       LYS  60   9.272  -2.460  -4.113
  463   2HD   LYS  60          3HD       LYS  60   8.930  -1.007  -3.157
  464   1HE   LYS  60          2HE       LYS  60  11.534  -0.577  -3.244
  465   2HE   LYS  60          3HE       LYS  60  11.569  -1.815  -4.501
  466   1HZ   LYS  60          1HZ       LYS  60  11.491   0.393  -5.382
  467   2HZ   LYS  60          2HZ       LYS  60  10.121  -0.334  -5.847
  468   3HZ   LYS  60          3HZ       LYS  60  10.102   0.771  -4.638
  469    H    THR  61           H        THR  61  11.155   0.254   0.701
  470    HA   THR  61           HA       THR  61  11.013   0.199   3.534
  471    HB   THR  61           HB       THR  61  11.148   2.640   1.843
  472    HG1  THR  61           1HG      THR  61  12.690   1.813   0.798
  473   1HG2  THR  61          1HG2      THR  61  11.297   2.917   4.286
  474   2HG2  THR  61          2HG2      THR  61  12.700   1.812   4.316
  475   3HG2  THR  61          3HG2      THR  61  12.804   3.371   3.462
  476    H    VAL  62           H        VAL  62   8.497  -0.641   2.699
  477    HA   VAL  62           HA       VAL  62   6.794   1.596   2.192
  478    HB   VAL  62           HB       VAL  62   5.125   0.077   1.794
  479   1HG1  VAL  62          1HG1      VAL  62   7.616  -1.441   1.004
  480   2HG1  VAL  62          2HG1      VAL  62   6.106  -1.253   0.108
  481   3HG1  VAL  62          3HG1      VAL  62   7.205   0.129   0.290
  482   1HG2  VAL  62          1HG2      VAL  62   6.665  -2.026   3.326
  483   2HG2  VAL  62          2HG2      VAL  62   4.989  -1.438   3.599
  484   3HG2  VAL  62          3HG2      VAL  62   5.363  -2.394   2.175
  485    H    SER  63           H        SER  63   6.921   2.979   3.791
  486    HA   SER  63           HA       SER  63   6.657   2.252   6.601
  487   1HB   SER  63          2HB       SER  63   6.903   4.691   6.958
  488   2HB   SER  63          3HB       SER  63   8.167   4.036   5.899
  489    HG   SER  63           HG       SER  63   6.757   4.743   4.108
  490    H    TYR  64           H        TYR  64   4.973   2.903   7.979
  491    HA   TYR  64           HA       TYR  64   2.270   3.127   6.736
  492   1HB   TYR  64          2HB       TYR  64   2.505   1.056   7.849
  493   2HB   TYR  64          3HB       TYR  64   3.444   1.758   9.160
  494    HD1  TYR  64           HD1      TYR  64   0.011   2.586   7.723
  495    HD2  TYR  64           HD2      TYR  64   2.356   1.472  11.185
  496    HE1  TYR  64           HE1      TYR  64  -1.764   3.326   9.226
  497    HE2  TYR  64           HE2      TYR  64   0.368   1.811  12.619
  498    HH   TYR  64           HH       TYR  64  -2.806   2.591  11.273
  499    H    LEU  65           H        LEU  65   1.227   5.035   7.149
  500    HA   LEU  65           HA       LEU  65   2.322   6.855   9.237
  501   1HB   LEU  65          2HB       LEU  65   1.041   7.506   6.593
  502   2HB   LEU  65          3HB       LEU  65   1.316   8.655   7.900
  503    HG   LEU  65           HG       LEU  65   3.815   7.647   7.811
  504   1HD1  LEU  65          1HD1      LEU  65   2.801   7.312   4.969
  505   2HD1  LEU  65          2HD1      LEU  65   4.499   7.232   5.513
  506   3HD1  LEU  65          3HD1      LEU  65   3.343   6.015   6.060
  507   1HD2  LEU  65          1HD2      LEU  65   2.677   9.737   5.928
  508   2HD2  LEU  65          2HD2      LEU  65   3.215   9.981   7.606
  509   3HD2  LEU  65          3HD2      LEU  65   4.395   9.546   6.354
  510    H    GLY  66           H        GLY  66   0.366   8.496   9.799
  511   1HA   GLY  66          2HA       GLY  66  -1.166   6.966  11.550
  512   2HA   GLY  66          3HA       GLY  66  -1.419   8.678  11.190
  513    H    LEU  67           H        LEU  67  -3.543   7.483  11.927
  514    HA   LEU  67           HA       LEU  67  -5.169   6.284   9.828
  515   1HB   LEU  67          2HB       LEU  67  -5.532   5.694  12.192
  516   2HB   LEU  67          3HB       LEU  67  -5.688   7.399  12.612
  517    HG   LEU  67           HG       LEU  67  -7.811   7.546  11.316
  518   1HD1  LEU  67          1HD1      LEU  67  -7.683   4.502  11.174
  519   2HD1  LEU  67          2HD1      LEU  67  -8.980   5.563  10.600
  520   3HD1  LEU  67          3HD1      LEU  67  -7.421   5.568   9.777
  521   1HD2  LEU  67          1HD2      LEU  67  -9.154   6.334  12.970
  522   2HD2  LEU  67          2HD2      LEU  67  -7.718   5.427  13.492
  523   3HD2  LEU  67          3HD2      LEU  67  -7.801   7.185  13.737
  524    H    GLU  68           H        GLU  68  -6.858   7.350   8.678
  525    HA   GLU  68           HA       GLU  68  -7.589  10.063   9.234
  526   1HB   GLU  68          2HB       GLU  68  -5.492   9.609   7.330
  527   2HB   GLU  68          3HB       GLU  68  -6.942   9.860   6.375
  528   1HG   GLU  68          2HG       GLU  68  -6.054  11.764   8.580
  529   2HG   GLU  68          3HG       GLU  68  -5.521  11.903   6.900
  Start of MODEL   25
    1   1H    MET   1           H1       MET   1 -10.998  -0.024  10.507
    2   2H    MET   1           H2       MET   1 -11.482  -1.566  10.228
    3   3H    MET   1           H3       MET   1 -10.579  -0.775   9.109
    4    HA   MET   1           HA       MET   1 -12.929  -1.034   8.602
    5   1HB   MET   1          2HB       MET   1 -13.520  -0.579  11.083
    6   2HB   MET   1          3HB       MET   1 -13.497   1.133  10.634
    7   1HG   MET   1          2HG       MET   1 -15.185   0.590   8.826
    8   2HG   MET   1          3HG       MET   1 -15.225  -1.071   9.446
    9   1HE   MET   1          1HE       MET   1 -17.803  -1.057   9.717
   10   2HE   MET   1          2HE       MET   1 -18.699   0.256  10.516
   11   3HE   MET   1          3HE       MET   1 -17.813   0.573   9.003
   12    HA   PRO   2           HA       PRO   2 -12.404   3.325   7.099
   13   1HB   PRO   2          2HB       PRO   2 -11.030   5.164   8.193
   14   2HB   PRO   2          3HB       PRO   2 -12.346   4.429   9.130
   15   1HG   PRO   2          2HG       PRO   2  -9.376   3.800   9.380
   16   2HG   PRO   2          3HG       PRO   2 -10.537   4.135  10.688
   17   1HD   PRO   2          2HD       PRO   2  -9.850   1.605   9.753
   18   2HD   PRO   2          3HD       PRO   2 -11.411   2.007  10.544
   19    H    LYS   3           H        LYS   3  -9.199   4.680   7.531
   20    HA   LYS   3           HA       LYS   3  -8.199   3.264   5.155
   21   1HB   LYS   3          2HB       LYS   3  -7.965   5.333   3.880
   22   2HB   LYS   3          3HB       LYS   3  -9.665   5.000   4.268
   23   1HG   LYS   3          2HG       LYS   3  -9.656   6.605   6.054
   24   2HG   LYS   3          3HG       LYS   3  -7.942   6.991   5.760
   25   1HD   LYS   3          2HD       LYS   3  -8.677   7.536   3.327
   26   2HD   LYS   3          3HD       LYS   3 -10.337   7.450   3.906
   27   1HE   LYS   3          2HE       LYS   3  -8.137   9.332   4.913
   28   2HE   LYS   3          3HE       LYS   3  -9.481   9.781   3.860
   29   1HZ   LYS   3          1HZ       LYS   3  -9.772  10.362   6.171
   30   2HZ   LYS   3          2HZ       LYS   3 -10.990   9.358   5.664
   31   3HZ   LYS   3          3HZ       LYS   3  -9.796   8.804   6.643
   32    H    HIS   4           H        HIS   4  -6.054   3.759   4.561
   33    HA   HIS   4           HA       HIS   4  -4.308   4.633   6.838
   34   1HB   HIS   4          2HB       HIS   4  -4.183   2.027   5.286
   35   2HB   HIS   4          3HB       HIS   4  -3.072   2.525   6.563
   36    HD1  HIS   4           1HD      HIS   4  -6.061   3.358   8.252
   37    HD2  HIS   4           2HD      HIS   4  -4.602  -0.237   6.660
   38    HE1  HIS   4           1HE      HIS   4  -7.402   1.470   9.337
   39    H    GLU   5           H        GLU   5  -2.720   5.956   6.019
   40    HA   GLU   5           HA       GLU   5  -2.057   5.788   3.125
   41   1HB   GLU   5          2HB       GLU   5  -2.428   8.036   4.020
   42   2HB   GLU   5          3HB       GLU   5  -1.146   7.805   5.211
   43   1HG   GLU   5          2HG       GLU   5   0.506   7.553   3.384
   44   2HG   GLU   5          3HG       GLU   5  -0.791   7.592   2.181
   45    H    PHE   6           H        PHE   6  -0.120   5.015   2.430
   46    HA   PHE   6           HA       PHE   6   2.022   4.428   4.400
   47   1HB   PHE   6          2HB       PHE   6   1.187   2.640   2.087
   48   2HB   PHE   6          3HB       PHE   6   2.672   2.463   3.012
   49    HD1  PHE   6           1HD      PHE   6  -1.085   2.485   3.444
   50    HD2  PHE   6           2HD      PHE   6   2.701   0.990   4.917
   51    HE1  PHE   6           1HE      PHE   6  -2.255   0.870   4.887
   52    HE2  PHE   6           2HE      PHE   6   1.511  -0.706   6.210
   53    HZ   PHE   6           HZ       PHE   6  -0.972  -0.747   6.264
   54    H    SER   7           H        SER   7   3.866   5.377   3.814
   55    HA   SER   7           HA       SER   7   4.059   6.528   1.083
   56   1HB   SER   7          2HB       SER   7   4.656   8.042   2.860
   57   2HB   SER   7          3HB       SER   7   5.963   6.961   3.390
   58    HG   SER   7           HG       SER   7   5.808   7.765   0.668
   59    H    VAL   8           H        VAL   8   5.154   5.402  -0.378
   60    HA   VAL   8           HA       VAL   8   6.484   2.853   0.432
   61    HB   VAL   8           HB       VAL   8   4.504   3.278  -1.830
   62   1HG1  VAL   8          1HG1      VAL   8   4.699   0.853  -2.171
   63   2HG1  VAL   8          2HG1      VAL   8   6.293   1.598  -2.331
   64   3HG1  VAL   8          3HG1      VAL   8   5.878   0.729  -0.852
   65   1HG2  VAL   8          1HG2      VAL   8   3.167   1.544  -0.443
   66   2HG2  VAL   8          2HG2      VAL   8   4.300   1.876   0.869
   67   3HG2  VAL   8          3HG2      VAL   8   3.259   3.170   0.257
   68    H    ASP   9           H        ASP   9   8.492   2.947  -0.223
   69    HA   ASP   9           HA       ASP   9   9.393   4.709  -2.286
   70   1HB   ASP   9          2HB       ASP   9  10.662   4.083  -0.300
   71   2HB   ASP   9          3HB       ASP   9  10.787   2.416  -0.929
   72    H    MET  10           H        MET  10   7.491   3.491  -3.569
   73    HA   MET  10           HA       MET  10   8.423   1.140  -5.065
   74   1HB   MET  10          2HB       MET  10   6.210   1.357  -6.240
   75   2HB   MET  10          3HB       MET  10   6.133   1.037  -4.516
   76   1HG   MET  10          2HG       MET  10   5.582   3.446  -4.129
   77   2HG   MET  10          3HG       MET  10   5.644   3.722  -5.872
   78   1HE   MET  10          1HE       MET  10   3.301   4.816  -5.832
   79   2HE   MET  10          2HE       MET  10   1.916   4.115  -4.964
   80   3HE   MET  10          3HE       MET  10   3.362   4.624  -4.063
   81    H    THR  11           H        THR  11  10.333   2.446  -5.619
   82    HA   THR  11           HA       THR  11   9.900   4.935  -6.827
   83    HB   THR  11           HB       THR  11  11.786   4.159  -5.332
   84    HG1  THR  11           1HG      THR  11  12.313   5.668  -7.665
   85   1HG2  THR  11          1HG2      THR  11  12.587   2.249  -6.687
   86   2HG2  THR  11          2HG2      THR  11  13.146   3.379  -7.939
   87   3HG2  THR  11          3HG2      THR  11  13.850   3.437  -6.316
   88    H    CYS  12           HN       CYS  12   9.024   2.517  -8.610
   89    HA   CYS  12           HA       CYS  12   9.308   4.123 -10.901
   90   1HB   CYS  12          2HB       CYS  12  10.278   2.611 -12.468
   91   2HB   CYS  12          3HB       CYS  12  11.421   2.740 -11.138
   92    H    GLY  13           H        GLY  13   7.848   3.193 -12.606
   93   1HA   GLY  13          2HA       GLY  13   5.305   2.598 -11.755
   94   2HA   GLY  13          3HA       GLY  13   5.943   2.130 -13.338
   95    H    GLY  14           H        GLY  14   7.847   0.253 -12.662
   96   1HA   GLY  14          2HA       GLY  14   6.356  -2.076 -12.501
   97   2HA   GLY  14          3HA       GLY  14   8.109  -1.955 -12.208
   98    H    CYS  15           HN       CYS  15   7.879  -0.226  -9.814
   99    HA   CYS  15           HA       CYS  15   7.401  -2.357  -7.873
  100   1HB   CYS  15          2HB       CYS  15   7.936   0.585  -7.524
  101   2HB   CYS  15          3HB       CYS  15   7.775  -0.617  -6.218
  102    H    ALA  16           H        ALA  16   5.589   0.514  -9.087
  103    HA   ALA  16           HA       ALA  16   3.489   0.296  -7.111
  104   1HB   ALA  16          1HB       ALA  16   2.152   1.656  -8.650
  105   2HB   ALA  16          2HB       ALA  16   3.756   2.346  -8.364
  106   3HB   ALA  16          3HB       ALA  16   3.402   1.509  -9.898
  107    H    GLU  17           H        GLU  17   3.958  -1.083 -10.393
  108    HA   GLU  17           HA       GLU  17   1.543  -2.563 -10.535
  109   1HB   GLU  17          2HB       GLU  17   4.307  -3.217 -11.632
  110   2HB   GLU  17          3HB       GLU  17   2.823  -4.052 -12.085
  111   1HG   GLU  17          2HG       GLU  17   1.886  -2.072 -13.075
  112   2HG   GLU  17          3HG       GLU  17   3.159  -1.036 -12.420
  113    H    ALA  18           H        ALA  18   4.747  -3.524  -9.164
  114    HA   ALA  18           HA       ALA  18   3.987  -6.076  -8.230
  115   1HB   ALA  18          1HB       ALA  18   5.931  -4.150  -6.905
  116   2HB   ALA  18          2HB       ALA  18   5.868  -5.905  -6.698
  117   3HB   ALA  18          3HB       ALA  18   6.321  -5.217  -8.276
  118    H    VAL  19           H        VAL  19   3.820  -2.889  -6.487
  119    HA   VAL  19           HA       VAL  19   2.761  -3.834  -4.090
  120    HB   VAL  19           HB       VAL  19   2.427  -1.206  -5.592
  121   1HG1  VAL  19          1HG1      VAL  19   1.797  -0.383  -3.267
  122   2HG1  VAL  19          2HG1      VAL  19   0.584  -1.349  -4.123
  123   3HG1  VAL  19          3HG1      VAL  19   1.591  -2.124  -2.861
  124   1HG2  VAL  19          1HG2      VAL  19   4.027  -1.481  -3.061
  125   2HG2  VAL  19          2HG2      VAL  19   4.771  -2.059  -4.556
  126   3HG2  VAL  19          3HG2      VAL  19   4.220  -0.380  -4.420
  127    H    SER  20           H        SER  20   1.134  -2.771  -7.073
  128    HA   SER  20           HA       SER  20  -1.524  -3.124  -6.209
  129   1HB   SER  20          2HB       SER  20  -0.570  -2.117  -8.430
  130   2HB   SER  20          3HB       SER  20  -0.547  -3.757  -9.052
  131    HG   SER  20           HG       SER  20  -2.483  -2.680  -9.568
  132    H    ARG  21           H        ARG  21   0.596  -5.435  -7.925
  133    HA   ARG  21           HA       ARG  21  -1.132  -7.616  -7.955
  134   1HB   ARG  21          2HB       ARG  21   0.564  -8.512  -8.998
  135   2HB   ARG  21          3HB       ARG  21   1.521  -7.095  -8.682
  136   1HG   ARG  21          2HG       ARG  21   2.467  -8.094  -6.656
  137   2HG   ARG  21          3HG       ARG  21   1.468  -9.529  -6.848
  138   1HD   ARG  21          2HD       ARG  21   2.653 -10.057  -8.981
  139   2HD   ARG  21          3HD       ARG  21   3.449  -8.493  -8.931
  140    HE   ARG  21           HE       ARG  21   5.019  -9.224  -7.493
  141   1HH1  ARG  21          2HH2      ARG  21   2.383 -11.545  -7.463
  142   2HH1  ARG  21          1HH2      ARG  21   3.229 -12.765  -6.557
  143   1HH2  ARG  21          2HH1      ARG  21   6.184 -10.787  -6.253
  144   2HH2  ARG  21          1HH1      ARG  21   5.452 -12.300  -5.836
  145    H    VAL  22           H        VAL  22   0.999  -6.550  -5.250
  146    HA   VAL  22           HA       VAL  22   0.568  -8.884  -3.643
  147    HB   VAL  22           HB       VAL  22   1.888  -6.169  -3.539
  148   1HG1  VAL  22          1HG1      VAL  22   2.428  -6.544  -1.132
  149   2HG1  VAL  22          2HG1      VAL  22   0.843  -5.899  -1.587
  150   3HG1  VAL  22          3HG1      VAL  22   1.008  -7.617  -1.076
  151   1HG2  VAL  22          1HG2      VAL  22   2.828  -8.909  -2.728
  152   2HG2  VAL  22          2HG2      VAL  22   3.061  -8.141  -4.323
  153   3HG2  VAL  22          3HG2      VAL  22   3.788  -7.402  -2.882
  154    H    LEU  23           H        LEU  23  -0.649  -5.505  -3.526
  155    HA   LEU  23           HA       LEU  23  -2.301  -5.966  -1.275
  156   1HB   LEU  23          2HB       LEU  23  -1.811  -3.801  -3.177
  157   2HB   LEU  23          3HB       LEU  23  -3.482  -3.841  -2.748
  158    HG   LEU  23           HG       LEU  23  -1.172  -3.957  -0.733
  159   1HD1  LEU  23          1HD1      LEU  23  -2.839  -1.622  -1.698
  160   2HD1  LEU  23          2HD1      LEU  23  -1.561  -1.535  -0.467
  161   3HD1  LEU  23          3HD1      LEU  23  -1.142  -1.880  -2.152
  162   1HD2  LEU  23          1HD2      LEU  23  -2.927  -3.298   0.871
  163   2HD2  LEU  23          2HD2      LEU  23  -4.096  -3.157  -0.467
  164   3HD2  LEU  23          3HD2      LEU  23  -3.499  -4.745   0.030
  165    H    ASN  24           H        ASN  24  -2.970  -6.063  -4.800
  166    HA   ASN  24           HA       ASN  24  -5.693  -6.624  -4.759
  167   1HB   ASN  24          2HB       ASN  24  -4.557  -6.346  -6.886
  168   2HB   ASN  24          3HB       ASN  24  -3.485  -7.718  -6.550
  169   1HD2  ASN  24          1HD2      ASN  24  -7.053  -7.365  -6.116
  170   2HD2  ASN  24          2HD2      ASN  24  -7.429  -8.780  -7.075
  171    H    LYS  25           H        LYS  25  -2.949  -8.894  -4.170
  172    HA   LYS  25           HA       LYS  25  -4.586 -11.214  -4.132
  173   1HB   LYS  25          2HB       LYS  25  -1.781 -10.535  -3.654
  174   2HB   LYS  25          3HB       LYS  25  -2.360 -11.672  -2.458
  175   1HG   LYS  25          2HG       LYS  25  -1.438 -12.819  -4.433
  176   2HG   LYS  25          3HG       LYS  25  -3.159 -13.172  -4.292
  177   1HD   LYS  25          2HD       LYS  25  -2.751 -10.755  -5.905
  178   2HD   LYS  25          3HD       LYS  25  -1.728 -12.046  -6.521
  179   1HE   LYS  25          2HE       LYS  25  -3.638 -13.518  -6.852
  180   2HE   LYS  25          3HE       LYS  25  -4.727 -12.405  -6.013
  181   1HZ   LYS  25          1HZ       LYS  25  -4.432 -10.811  -7.751
  182   2HZ   LYS  25          2HZ       LYS  25  -3.378 -11.789  -8.552
  183   3HZ   LYS  25          3HZ       LYS  25  -4.952 -12.231  -8.372
  184    H    LEU  26           H        LEU  26  -3.970  -8.895  -1.556
  185    HA   LEU  26           HA       LEU  26  -5.241 -10.356   0.582
  186   1HB   LEU  26          2HB       LEU  26  -3.948  -8.456   1.043
  187   2HB   LEU  26          3HB       LEU  26  -4.856  -7.423  -0.041
  188    HG   LEU  26           HG       LEU  26  -5.230  -6.676   2.038
  189   1HD1  LEU  26          1HD1      LEU  26  -7.845  -8.141   1.609
  190   2HD1  LEU  26          2HD1      LEU  26  -7.536  -6.536   2.221
  191   3HD1  LEU  26          3HD1      LEU  26  -7.272  -6.875   0.491
  192   1HD2  LEU  26          1HD2      LEU  26  -6.247  -9.403   2.911
  193   2HD2  LEU  26          2HD2      LEU  26  -4.684  -8.678   3.363
  194   3HD2  LEU  26          3HD2      LEU  26  -6.200  -7.897   3.872
  195    H    GLY  27           H        GLY  27  -6.491  -8.411  -2.146
  196   1HA   GLY  27          2HA       GLY  27  -8.459  -8.969  -3.270
  197   2HA   GLY  27          3HA       GLY  27  -9.112  -9.750  -1.837
  198    H    GLY  28           H        GLY  28  -9.607  -8.306   0.046
  199   1HA   GLY  28          2HA       GLY  28 -11.619  -6.497  -0.963
  200   2HA   GLY  28          3HA       GLY  28 -11.309  -6.925   0.723
  201    H    VAL  29           H        VAL  29  -9.263  -5.297  -1.735
  202    HA   VAL  29           HA       VAL  29  -9.039  -2.950   0.105
  203    HB   VAL  29           HB       VAL  29  -6.750  -2.620  -0.841
  204   1HG1  VAL  29          1HG1      VAL  29  -7.592  -4.713   1.069
  205   2HG1  VAL  29          2HG1      VAL  29  -5.917  -4.827   0.511
  206   3HG1  VAL  29          3HG1      VAL  29  -6.514  -3.336   1.283
  207   1HG2  VAL  29          1HG2      VAL  29  -7.058  -4.214  -2.815
  208   2HG2  VAL  29          2HG2      VAL  29  -5.563  -4.372  -1.881
  209   3HG2  VAL  29          3HG2      VAL  29  -6.888  -5.545  -1.659
  210    H    LYS  30           H        LYS  30  -8.966  -0.932  -0.748
  211    HA   LYS  30           HA       LYS  30  -8.795  -0.642  -3.666
  212   1HB   LYS  30          2HB       LYS  30 -11.138   0.071  -2.670
  213   2HB   LYS  30          3HB       LYS  30 -10.264   1.493  -2.120
  214   1HG   LYS  30          2HG       LYS  30 -10.683   0.494  -4.958
  215   2HG   LYS  30          3HG       LYS  30 -11.284   1.967  -4.213
  216   1HD   LYS  30          2HD       LYS  30  -9.597   3.033  -5.277
  217   2HD   LYS  30          3HD       LYS  30  -8.574   2.450  -4.003
  218   1HE   LYS  30          2HE       LYS  30  -7.467   1.960  -6.032
  219   2HE   LYS  30          3HE       LYS  30  -8.076   0.392  -5.493
  220   1HZ   LYS  30          1HZ       LYS  30  -9.906   0.684  -7.050
  221   2HZ   LYS  30          2HZ       LYS  30  -9.297   2.140  -7.528
  222   3HZ   LYS  30          3HZ       LYS  30  -8.450   0.763  -7.811
  223    H    TYR  31           H        TYR  31  -6.781   0.039  -3.883
  224    HA   TYR  31           HA       TYR  31  -5.524   1.891  -1.928
  225   1HB   TYR  31          2HB       TYR  31  -3.424   0.801  -2.675
  226   2HB   TYR  31          3HB       TYR  31  -4.530  -0.214  -1.754
  227    HD1  TYR  31           HD1      TYR  31  -2.850   0.228  -4.941
  228    HD2  TYR  31           HD2      TYR  31  -5.870  -2.018  -2.884
  229    HE1  TYR  31           HE1      TYR  31  -2.998  -1.336  -6.865
  230    HE2  TYR  31           HE2      TYR  31  -5.917  -3.669  -4.749
  231    HH   TYR  31           HH       TYR  31  -3.767  -3.399  -7.570
  232    H    ASP  32           H        ASP  32  -5.485   3.885  -2.753
  233    HA   ASP  32           HA       ASP  32  -5.193   4.274  -5.677
  234   1HB   ASP  32          2HB       ASP  32  -6.797   5.731  -4.446
  235   2HB   ASP  32          3HB       ASP  32  -5.459   6.335  -3.453
  236    H    ILE  33           H        ILE  33  -3.381   5.677  -6.340
  237    HA   ILE  33           HA       ILE  33  -0.831   4.877  -4.959
  238    HB   ILE  33           HB       ILE  33  -2.016   4.059  -7.614
  239   1HG1  ILE  33          2HG1      ILE  33  -0.300   2.251  -5.916
  240   2HG1  ILE  33          3HG1      ILE  33  -1.903   2.655  -5.299
  241   1HG2  ILE  33          1HG2      ILE  33   0.955   4.140  -7.014
  242   2HG2  ILE  33          2HG2      ILE  33   0.221   3.166  -8.300
  243   3HG2  ILE  33          3HG2      ILE  33   0.085   4.920  -8.352
  244   1HD1  ILE  33          1HD1      ILE  33  -1.627   1.726  -8.169
  245   2HD1  ILE  33          2HD1      ILE  33  -1.724   0.588  -6.827
  246   3HD1  ILE  33          3HD1      ILE  33  -3.058   1.740  -7.106
  247    H    ASP  34           H        ASP  34   0.474   6.622  -4.903
  248    HA   ASP  34           HA       ASP  34   0.546   8.417  -7.286
  249   1HB   ASP  34          2HB       ASP  34  -0.334   9.591  -5.277
  250   2HB   ASP  34          3HB       ASP  34   1.196   9.244  -4.449
  251    H    LEU  35           H        LEU  35   2.269   7.881  -8.384
  252    HA   LEU  35           HA       LEU  35   4.518   6.416  -7.251
  253   1HB   LEU  35          2HB       LEU  35   3.531   7.201  -9.948
  254   2HB   LEU  35          3HB       LEU  35   5.284   7.105  -9.756
  255    HG   LEU  35           HG       LEU  35   3.463   4.861  -8.793
  256   1HD1  LEU  35          1HD1      LEU  35   4.517   5.105 -11.640
  257   2HD1  LEU  35          2HD1      LEU  35   3.587   3.756 -10.949
  258   3HD1  LEU  35          3HD1      LEU  35   2.821   5.334 -11.151
  259   1HD2  LEU  35          1HD2      LEU  35   6.323   4.912  -9.891
  260   2HD2  LEU  35          2HD2      LEU  35   5.861   4.754  -8.185
  261   3HD2  LEU  35          3HD2      LEU  35   5.479   3.462  -9.340
  262    HA   PRO  36           HA       PRO  36   6.829  10.696  -8.407
  263   1HB   PRO  36          2HB       PRO  36   4.218  12.199  -7.923
  264   2HB   PRO  36          3HB       PRO  36   5.692  12.808  -8.721
  265   1HG   PRO  36          2HG       PRO  36   3.660  11.838 -10.223
  266   2HG   PRO  36          3HG       PRO  36   5.320  11.273 -10.586
  267   1HD   PRO  36          2HD       PRO  36   3.145   9.857  -9.051
  268   2HD   PRO  36          3HD       PRO  36   4.320   9.222 -10.241
  269    H    ASN  37           H        ASN  37   4.027  10.631  -6.180
  270    HA   ASN  37           HA       ASN  37   5.629  11.936  -4.088
  271   1HB   ASN  37          2HB       ASN  37   2.997  12.162  -4.769
  272   2HB   ASN  37          3HB       ASN  37   2.860  11.015  -3.435
  273   1HD2  ASN  37          1HD2      ASN  37   4.392  14.050  -4.501
  274   2HD2  ASN  37          2HD2      ASN  37   4.330  14.871  -2.958
  275    H    LYS  38           H        LYS  38   5.516   8.775  -5.015
  276    HA   LYS  38           HA       LYS  38   6.065   6.815  -3.980
  277   1HB   LYS  38          2HB       LYS  38   7.269   8.671  -1.894
  278   2HB   LYS  38          3HB       LYS  38   7.789   7.043  -2.272
  279   1HG   LYS  38          2HG       LYS  38   7.945   9.439  -4.198
  280   2HG   LYS  38          3HG       LYS  38   9.239   8.982  -3.116
  281   1HD   LYS  38          2HD       LYS  38   8.098   7.139  -5.250
  282   2HD   LYS  38          3HD       LYS  38   9.478   8.198  -5.526
  283   1HE   LYS  38          2HE       LYS  38   9.793   6.637  -3.048
  284   2HE   LYS  38          3HE       LYS  38   9.537   5.573  -4.444
  285   1HZ   LYS  38          1HZ       LYS  38  11.653   7.621  -4.189
  286   2HZ   LYS  38          2HZ       LYS  38  11.779   6.011  -3.862
  287   3HZ   LYS  38          3HZ       LYS  38  11.529   6.487  -5.406
  288    H    LYS  39           H        LYS  39   3.461   7.176  -3.600
  289    HA   LYS  39           HA       LYS  39   2.953   6.532  -0.754
  290   1HB   LYS  39          2HB       LYS  39   2.065   8.981  -2.290
  291   2HB   LYS  39          3HB       LYS  39   0.918   8.231  -1.186
  292   1HG   LYS  39          2HG       LYS  39   2.577   8.389   0.643
  293   2HG   LYS  39          3HG       LYS  39   3.669   9.299  -0.422
  294   1HD   LYS  39          2HD       LYS  39   1.966  11.062  -0.706
  295   2HD   LYS  39          3HD       LYS  39   0.777  10.059   0.137
  296   1HE   LYS  39          2HE       LYS  39   2.482  10.116   2.133
  297   2HE   LYS  39          3HE       LYS  39   3.152  11.547   1.333
  298   1HZ   LYS  39          1HZ       LYS  39   0.264  11.309   1.764
  299   2HZ   LYS  39          2HZ       LYS  39   1.117  11.457   3.060
  300   3HZ   LYS  39          3HZ       LYS  39   1.194  12.694   1.905
  301    H    VAL  40           H        VAL  40   1.154   5.403  -0.279
  302    HA   VAL  40           HA       VAL  40  -0.708   4.676  -2.443
  303    HB   VAL  40           HB       VAL  40   0.341   2.835  -0.241
  304   1HG1  VAL  40          1HG1      VAL  40  -1.380   2.275  -2.692
  305   2HG1  VAL  40          2HG1      VAL  40  -0.882   1.093  -1.457
  306   3HG1  VAL  40          3HG1      VAL  40  -1.984   2.420  -1.031
  307   1HG2  VAL  40          1HG2      VAL  40   1.464   1.578  -2.024
  308   2HG2  VAL  40          2HG2      VAL  40   0.995   2.812  -3.214
  309   3HG2  VAL  40          3HG2      VAL  40   2.123   3.213  -1.897
  310    H    CYS  41           H        CYS  41  -2.799   5.088  -1.745
  311    HA   CYS  41           HA       CYS  41  -3.312   5.580   1.195
  312   1HB   CYS  41          2HB       CYS  41  -4.471   6.901  -1.278
  313   2HB   CYS  41          3HB       CYS  41  -5.301   6.907   0.286
  314    HG   CYS  41           HG       CYS  41  -2.210   7.910  -0.220
  315    H    ILE  42           H        ILE  42  -4.257   3.810   1.988
  316    HA   ILE  42           HA       ILE  42  -5.902   2.273   0.100
  317    HB   ILE  42           HB       ILE  42  -4.863   1.204   2.731
  318   1HG1  ILE  42          2HG1      ILE  42  -3.490   1.111   0.020
  319   2HG1  ILE  42          3HG1      ILE  42  -2.917   1.985   1.459
  320   1HG2  ILE  42          1HG2      ILE  42  -5.259  -0.971   1.400
  321   2HG2  ILE  42          2HG2      ILE  42  -6.708  -0.006   1.678
  322   3HG2  ILE  42          3HG2      ILE  42  -5.905   0.014   0.102
  323   1HD1  ILE  42          1HD1      ILE  42  -3.032  -1.020   1.239
  324   2HD1  ILE  42          2HD1      ILE  42  -1.617   0.016   1.167
  325   3HD1  ILE  42          3HD1      ILE  42  -2.510  -0.083   2.662
  326    H    GLU  43           H        GLU  43  -8.022   2.549   0.229
  327    HA   GLU  43           HA       GLU  43  -9.246   3.443   2.813
  328   1HB   GLU  43          2HB       GLU  43  -9.299   5.165   1.031
  329   2HB   GLU  43          3HB       GLU  43 -10.127   4.039  -0.052
  330   1HG   GLU  43          2HG       GLU  43 -12.090   4.009   1.346
  331   2HG   GLU  43          3HG       GLU  43 -11.256   4.839   2.667
  332    H    SER  44           H        SER  44  -9.942   1.514   3.718
  333    HA   SER  44           HA       SER  44 -11.570  -0.324   2.133
  334   1HB   SER  44          2HB       SER  44  -8.767  -1.136   3.048
  335   2HB   SER  44          3HB       SER  44  -9.979  -2.194   2.304
  336    HG   SER  44           HG       SER  44  -9.755  -0.116   0.717
  337    H    GLU  45           H        GLU  45 -12.625  -1.859   3.478
  338    HA   GLU  45           HA       GLU  45 -12.729  -1.083   6.233
  339   1HB   GLU  45          2HB       GLU  45 -14.668  -1.924   4.783
  340   2HB   GLU  45          3HB       GLU  45 -14.071  -3.557   5.126
  341   1HG   GLU  45          2HG       GLU  45 -14.254  -3.056   7.576
  342   2HG   GLU  45          3HG       GLU  45 -14.790  -1.404   7.169
  343    H    HIS  46           H        HIS  46 -10.405  -1.347   6.618
  344    HA   HIS  46           HA       HIS  46  -9.769  -4.115   7.585
  345   1HB   HIS  46          2HB       HIS  46  -8.461  -2.646   5.300
  346   2HB   HIS  46          3HB       HIS  46  -7.420  -3.549   6.391
  347    HD1  HIS  46           1HD      HIS  46  -7.848  -6.232   6.597
  348    HD2  HIS  46           2HD      HIS  46  -9.962  -4.153   3.612
  349    HE1  HIS  46           1HE      HIS  46  -8.778  -7.990   4.999
  350    H    SER  47           H        SER  47  -7.503  -4.099   8.573
  351    HA   SER  47           HA       SER  47  -7.205  -1.723  10.343
  352   1HB   SER  47          2HB       SER  47  -7.932  -3.526  11.720
  353   2HB   SER  47          3HB       SER  47  -6.903  -4.691  10.881
  354    HG   SER  47           HG       SER  47  -5.367  -4.208  12.113
  355    H    MET  48           H        MET  48  -5.067  -1.243  10.874
  356    HA   MET  48           HA       MET  48  -3.423  -1.266   8.504
  357   1HB   MET  48          2HB       MET  48  -1.783   0.001   9.807
  358   2HB   MET  48          3HB       MET  48  -3.379   0.749   9.662
  359   1HG   MET  48          2HG       MET  48  -2.795  -0.920  12.072
  360   2HG   MET  48          3HG       MET  48  -2.067   0.691  11.948
  361   1HE   MET  48          1HE       MET  48  -4.940   1.281  14.534
  362   2HE   MET  48          2HE       MET  48  -3.957  -0.192  14.351
  363   3HE   MET  48          3HE       MET  48  -3.193   1.414  14.216
  364    H    ASP  49           H        ASP  49  -3.554  -3.347  11.318
  365    HA   ASP  49           HA       ASP  49  -0.872  -4.379  11.108
  366   1HB   ASP  49          2HB       ASP  49  -1.614  -6.160  12.469
  367   2HB   ASP  49          3HB       ASP  49  -2.490  -4.743  13.054
  368    H    THR  50           H        THR  50  -4.006  -5.382   9.758
  369    HA   THR  50           HA       THR  50  -3.086  -7.619   8.334
  370    HB   THR  50           HB       THR  50  -5.443  -6.390   7.157
  371    HG1  THR  50           1HG      THR  50  -5.388  -6.294  10.001
  372   1HG2  THR  50          1HG2      THR  50  -5.039  -8.831   7.333
  373   2HG2  THR  50          2HG2      THR  50  -5.172  -8.717   9.104
  374   3HG2  THR  50          3HG2      THR  50  -6.582  -8.367   8.081
  375    H    LEU  51           H        LEU  51  -3.778  -4.242   7.320
  376    HA   LEU  51           HA       LEU  51  -2.891  -4.628   4.609
  377   1HB   LEU  51          2HB       LEU  51  -2.913  -2.132   6.345
  378   2HB   LEU  51          3HB       LEU  51  -2.430  -2.187   4.653
  379    HG   LEU  51           HG       LEU  51  -5.119  -2.304   5.915
  380   1HD1  LEU  51          1HD1      LEU  51  -4.151  -0.422   4.457
  381   2HD1  LEU  51          2HD1      LEU  51  -4.112  -1.585   3.133
  382   3HD1  LEU  51          3HD1      LEU  51  -5.676  -1.066   3.819
  383   1HD2  LEU  51          1HD2      LEU  51  -6.228  -3.428   4.008
  384   2HD2  LEU  51          2HD2      LEU  51  -4.659  -3.938   3.376
  385   3HD2  LEU  51          3HD2      LEU  51  -5.250  -4.556   4.941
  386    H    LEU  52           H        LEU  52  -1.045  -3.503   7.515
  387    HA   LEU  52           HA       LEU  52   1.391  -3.135   6.228
  388   1HB   LEU  52          2HB       LEU  52   0.629  -3.837   9.019
  389   2HB   LEU  52          3HB       LEU  52   2.178  -4.451   8.501
  390    HG   LEU  52           HG       LEU  52   2.662  -2.001   7.697
  391   1HD1  LEU  52          1HD1      LEU  52   0.325  -1.156   8.184
  392   2HD1  LEU  52          2HD1      LEU  52   0.580  -1.544   9.897
  393   3HD1  LEU  52          3HD1      LEU  52   1.570  -0.307   9.123
  394   1HD2  LEU  52          1HD2      LEU  52   2.557  -2.881  10.589
  395   2HD2  LEU  52          2HD2      LEU  52   3.862  -3.196   9.419
  396   3HD2  LEU  52          3HD2      LEU  52   3.541  -1.534   9.961
  397    H    ALA  53           H        ALA  53   0.169  -6.187   7.726
  398    HA   ALA  53           HA       ALA  53   2.292  -7.852   7.008
  399   1HB   ALA  53          1HB       ALA  53   0.684  -9.708   7.301
  400   2HB   ALA  53          2HB       ALA  53   0.466  -8.476   8.560
  401   3HB   ALA  53          3HB       ALA  53  -0.673  -8.567   7.200
  402    H    THR  54           H        THR  54  -0.514  -6.878   5.003
  403    HA   THR  54           HA       THR  54   0.135  -8.549   2.766
  404    HB   THR  54           HB       THR  54  -1.401  -5.906   2.871
  405    HG1  THR  54           1HG      THR  54  -2.295  -7.376   4.331
  406   1HG2  THR  54          1HG2      THR  54  -2.525  -6.756   0.935
  407   2HG2  THR  54          2HG2      THR  54  -0.791  -6.661   0.606
  408   3HG2  THR  54          3HG2      THR  54  -1.535  -8.241   0.950
  409    H    LEU  55           H        LEU  55   0.755  -5.072   3.493
  410    HA   LEU  55           HA       LEU  55   1.872  -4.624   0.890
  411   1HB   LEU  55          2HB       LEU  55   1.006  -3.087   3.210
  412   2HB   LEU  55          3HB       LEU  55   2.520  -2.437   2.597
  413    HG   LEU  55           HG       LEU  55  -0.177  -2.577   1.282
  414   1HD1  LEU  55          1HD1      LEU  55   1.820  -0.414   2.122
  415   2HD1  LEU  55          2HD1      LEU  55   0.472  -0.068   1.073
  416   3HD1  LEU  55          3HD1      LEU  55   0.175  -0.689   2.716
  417   1HD2  LEU  55          1HD2      LEU  55   1.262  -3.155  -0.561
  418   2HD2  LEU  55          2HD2      LEU  55   0.881  -1.440  -0.664
  419   3HD2  LEU  55          3HD2      LEU  55   2.480  -1.944  -0.060
  420    H    LYS  56           H        LYS  56   3.260  -5.366   4.055
  421    HA   LYS  56           HA       LYS  56   6.010  -5.019   3.595
  422   1HB   LYS  56          2HB       LYS  56   4.251  -6.768   5.263
  423   2HB   LYS  56          3HB       LYS  56   5.797  -7.459   4.880
  424   1HG   LYS  56          2HG       LYS  56   5.857  -6.380   6.966
  425   2HG   LYS  56          3HG       LYS  56   7.027  -5.651   5.875
  426   1HD   LYS  56          2HD       LYS  56   4.305  -4.408   6.542
  427   2HD   LYS  56          3HD       LYS  56   5.753  -4.184   7.521
  428   1HE   LYS  56          2HE       LYS  56   6.909  -3.344   5.355
  429   2HE   LYS  56          3HE       LYS  56   5.264  -3.186   4.699
  430   1HZ   LYS  56          1HZ       LYS  56   6.270  -1.866   7.135
  431   2HZ   LYS  56          2HZ       LYS  56   6.092  -1.138   5.687
  432   3HZ   LYS  56          3HZ       LYS  56   4.766  -1.680   6.491
  433    H    LYS  57           H        LYS  57   3.813  -7.383   2.030
  434    HA   LYS  57           HA       LYS  57   5.913  -9.170   1.229
  435   1HB   LYS  57          2HB       LYS  57   3.234  -8.665  -0.098
  436   2HB   LYS  57          3HB       LYS  57   4.267 -10.066  -0.352
  437   1HG   LYS  57          2HG       LYS  57   3.003  -9.338   2.329
  438   2HG   LYS  57          3HG       LYS  57   2.303 -10.447   1.153
  439   1HD   LYS  57          2HD       LYS  57   4.276 -11.916   1.310
  440   2HD   LYS  57          3HD       LYS  57   5.026 -10.845   2.499
  441   1HE   LYS  57          2HE       LYS  57   2.324 -12.244   2.861
  442   2HE   LYS  57          3HE       LYS  57   3.862 -12.853   3.487
  443   1HZ   LYS  57          1HZ       LYS  57   2.646 -10.265   4.270
  444   2HZ   LYS  57          2HZ       LYS  57   2.634 -11.646   5.150
  445   3HZ   LYS  57          3HZ       LYS  57   4.053 -10.884   4.834
  446    H    THR  58           H        THR  58   5.116  -5.979   0.081
  447    HA   THR  58           HA       THR  58   6.298  -6.258  -2.586
  448    HB   THR  58           HB       THR  58   6.241  -3.906  -2.649
  449    HG1  THR  58           1HG      THR  58   5.535  -3.811   0.100
  450   1HG2  THR  58          1HG2      THR  58   4.088  -5.035  -2.806
  451   2HG2  THR  58          2HG2      THR  58   3.818  -4.834  -1.068
  452   3HG2  THR  58          3HG2      THR  58   3.920  -3.411  -2.083
  453    H    GLY  59           H        GLY  59   7.466  -5.875   0.686
  454   1HA   GLY  59          2HA       GLY  59   9.420  -5.527   1.608
  455   2HA   GLY  59          3HA       GLY  59  10.137  -6.477   0.283
  456    H    LYS  60           H        LYS  60   8.483  -3.323  -0.039
  457    HA   LYS  60           HA       LYS  60  11.011  -2.043  -0.954
  458   1HB   LYS  60          2HB       LYS  60   8.252  -0.804  -0.689
  459   2HB   LYS  60          3HB       LYS  60   9.619  -0.180  -1.607
  460   1HG   LYS  60          2HG       LYS  60   7.921  -2.618  -2.205
  461   2HG   LYS  60          3HG       LYS  60   7.938  -1.102  -3.096
  462   1HD   LYS  60          2HD       LYS  60  10.103  -3.245  -2.987
  463   2HD   LYS  60          3HD       LYS  60   9.078  -2.798  -4.350
  464   1HE   LYS  60          2HE       LYS  60  10.119  -0.402  -4.128
  465   2HE   LYS  60          3HE       LYS  60  11.334  -1.150  -3.083
  466   1HZ   LYS  60          1HZ       LYS  60  12.176  -1.078  -5.231
  467   2HZ   LYS  60          2HZ       LYS  60  11.756  -2.663  -5.037
  468   3HZ   LYS  60          3HZ       LYS  60  10.806  -1.622  -5.929
  469    H    THR  61           H        THR  61  11.357   0.274   0.013
  470    HA   THR  61           HA       THR  61  11.088   0.419   2.856
  471    HB   THR  61           HB       THR  61  11.366   2.945   1.441
  472    HG1  THR  61           1HG      THR  61  12.853   2.406  -0.064
  473   1HG2  THR  61          1HG2      THR  61  13.342   1.301   3.054
  474   2HG2  THR  61          2HG2      THR  61  13.510   3.013   2.613
  475   3HG2  THR  61          3HG2      THR  61  12.208   2.509   3.711
  476    H    VAL  62           H        VAL  62   8.874  -0.323   2.849
  477    HA   VAL  62           HA       VAL  62   6.796   1.730   2.236
  478    HB   VAL  62           HB       VAL  62   6.122  -0.140   1.211
  479   1HG1  VAL  62          1HG1      VAL  62   7.446  -1.933   1.835
  480   2HG1  VAL  62          2HG1      VAL  62   7.063  -1.763   3.564
  481   3HG1  VAL  62          3HG1      VAL  62   5.850  -2.389   2.418
  482   1HG2  VAL  62          1HG2      VAL  62   4.645  -0.560   3.819
  483   2HG2  VAL  62          2HG2      VAL  62   4.419   0.896   2.839
  484   3HG2  VAL  62          3HG2      VAL  62   4.076  -0.702   2.149
  485    H    SER  63           H        SER  63   6.836   3.168   3.726
  486    HA   SER  63           HA       SER  63   6.788   2.528   6.624
  487   1HB   SER  63          2HB       SER  63   6.847   5.136   6.641
  488   2HB   SER  63          3HB       SER  63   8.307   4.263   6.142
  489    HG   SER  63           HG       SER  63   6.458   4.911   4.136
  490    H    TYR  64           H        TYR  64   4.892   2.574   7.721
  491    HA   TYR  64           HA       TYR  64   2.340   3.289   6.437
  492   1HB   TYR  64          2HB       TYR  64   2.331   1.334   7.750
  493   2HB   TYR  64          3HB       TYR  64   3.240   2.079   9.056
  494    HD1  TYR  64           HD1      TYR  64  -0.119   2.179   7.370
  495    HD2  TYR  64           HD2      TYR  64   2.191   3.120  10.889
  496    HE1  TYR  64           HE1      TYR  64  -2.205   2.614   8.638
  497    HE2  TYR  64           HE2      TYR  64   0.100   3.574  12.136
  498    HH   TYR  64           HH       TYR  64  -3.127   3.155  10.685
  499    H    LEU  65           H        LEU  65   1.191   5.160   6.869
  500    HA   LEU  65           HA       LEU  65   2.233   7.071   8.883
  501   1HB   LEU  65          2HB       LEU  65   0.825   7.600   6.265
  502   2HB   LEU  65          3HB       LEU  65   0.997   8.782   7.562
  503    HG   LEU  65           HG       LEU  65   3.590   8.021   7.438
  504   1HD1  LEU  65          1HD1      LEU  65   3.161   6.390   5.643
  505   2HD1  LEU  65          2HD1      LEU  65   2.528   7.688   4.602
  506   3HD1  LEU  65          3HD1      LEU  65   4.242   7.687   5.116
  507   1HD2  LEU  65          1HD2      LEU  65   3.952   9.982   6.002
  508   2HD2  LEU  65          2HD2      LEU  65   2.213  10.002   5.616
  509   3HD2  LEU  65          3HD2      LEU  65   2.758  10.285   7.286
  510    H    GLY  66           H        GLY  66   0.165   8.550   9.457
  511   1HA   GLY  66          2HA       GLY  66  -1.147   7.096  11.338
  512   2HA   GLY  66          3HA       GLY  66  -1.707   8.663  10.740
  513    H    LEU  67           H        LEU  67  -3.316   6.728  11.811
  514    HA   LEU  67           HA       LEU  67  -4.943   5.357   9.820
  515   1HB   LEU  67          2HB       LEU  67  -4.546   4.564  12.139
  516   2HB   LEU  67          3HB       LEU  67  -5.209   6.052  12.796
  517    HG   LEU  67           HG       LEU  67  -6.616   4.070  13.023
  518   1HD1  LEU  67          1HD1      LEU  67  -8.714   5.061  12.630
  519   2HD1  LEU  67          2HD1      LEU  67  -7.604   6.393  12.996
  520   3HD1  LEU  67          3HD1      LEU  67  -8.120   6.079  11.323
  521   1HD2  LEU  67          1HD2      LEU  67  -6.060   3.018  10.857
  522   2HD2  LEU  67          2HD2      LEU  67  -7.806   3.089  11.173
  523   3HD2  LEU  67          3HD2      LEU  67  -7.069   4.230  10.026
  524    H    GLU  68           H        GLU  68  -6.855   6.294   8.856
  525    HA   GLU  68           HA       GLU  68  -8.138   8.505  10.155
  526   1HB   GLU  68          2HB       GLU  68  -6.276   9.502   8.531
  527   2HB   GLU  68          3HB       GLU  68  -7.383   8.981   7.261
  528   1HG   GLU  68          2HG       GLU  68  -9.185  10.342   8.618
  529   2HG   GLU  68          3HG       GLU  68  -7.808  11.006   9.497
  Start of MODEL   26
    1   1H    MET   1           H1       MET   1 -13.775   5.064   3.628
    2   2H    MET   1           H2       MET   1 -15.220   4.281   3.773
    3   3H    MET   1           H3       MET   1 -14.765   5.498   4.844
    4    HA   MET   1           HA       MET   1 -14.494   3.325   5.864
    5   1HB   MET   1          2HB       MET   1 -12.871   2.960   3.316
    6   2HB   MET   1          3HB       MET   1 -12.438   2.051   4.753
    7   1HG   MET   1          2HG       MET   1 -13.955   0.779   3.287
    8   2HG   MET   1          3HG       MET   1 -14.666   1.064   4.873
    9   1HE   MET   1          1HE       MET   1 -18.080   2.036   3.927
   10   2HE   MET   1          2HE       MET   1 -17.120   0.594   4.323
   11   3HE   MET   1          3HE       MET   1 -16.913   2.087   5.268
   12    HA   PRO   2           HA       PRO   2 -11.067   5.440   7.874
   13   1HB   PRO   2          2HB       PRO   2  -9.558   3.485   9.003
   14   2HB   PRO   2          3HB       PRO   2 -11.154   3.952   9.655
   15   1HG   PRO   2          2HG       PRO   2 -10.536   1.643   7.779
   16   2HG   PRO   2          3HG       PRO   2 -11.491   1.587   9.290
   17   1HD   PRO   2          2HD       PRO   2 -12.714   1.793   6.902
   18   2HD   PRO   2          3HD       PRO   2 -13.303   2.767   8.273
   19    H    LYS   3           H        LYS   3  -8.894   5.974   7.375
   20    HA   LYS   3           HA       LYS   3  -8.020   4.852   4.759
   21   1HB   LYS   3          2HB       LYS   3  -8.887   7.182   4.868
   22   2HB   LYS   3          3HB       LYS   3  -7.515   7.646   5.851
   23   1HG   LYS   3          2HG       LYS   3  -7.085   6.252   3.186
   24   2HG   LYS   3          3HG       LYS   3  -7.623   7.914   3.173
   25   1HD   LYS   3          2HD       LYS   3  -5.145   7.100   4.736
   26   2HD   LYS   3          3HD       LYS   3  -5.090   7.474   3.004
   27   1HE   LYS   3          2HE       LYS   3  -6.055   9.734   3.432
   28   2HE   LYS   3          3HE       LYS   3  -6.120   9.364   5.163
   29   1HZ   LYS   3          1HZ       LYS   3  -4.173  10.507   4.973
   30   2HZ   LYS   3          2HZ       LYS   3  -3.692   9.024   5.029
   31   3HZ   LYS   3          3HZ       LYS   3  -3.663   9.753   3.546
   32    H    HIS   4           H        HIS   4  -5.953   4.149   4.544
   33    HA   HIS   4           HA       HIS   4  -4.102   4.283   6.885
   34   1HB   HIS   4          2HB       HIS   4  -4.523   1.768   5.212
   35   2HB   HIS   4          3HB       HIS   4  -3.540   1.980   6.629
   36    HD1  HIS   4           1HD      HIS   4  -6.084   3.540   8.226
   37    HD2  HIS   4           2HD      HIS   4  -5.925  -0.218   6.330
   38    HE1  HIS   4           1HE      HIS   4  -7.821   2.035   9.378
   39    H    GLU   5           H        GLU   5  -2.695   5.758   5.991
   40    HA   GLU   5           HA       GLU   5  -1.970   5.438   3.139
   41   1HB   GLU   5          2HB       GLU   5  -2.627   7.605   4.085
   42   2HB   GLU   5          3HB       GLU   5  -1.123   7.638   5.027
   43   1HG   GLU   5          2HG       GLU   5   0.212   7.720   3.008
   44   2HG   GLU   5          3HG       GLU   5  -1.155   7.252   1.997
   45    H    PHE   6           H        PHE   6  -0.065   4.749   2.455
   46    HA   PHE   6           HA       PHE   6   2.120   4.251   4.422
   47   1HB   PHE   6          2HB       PHE   6   1.275   2.593   2.021
   48   2HB   PHE   6          3HB       PHE   6   2.751   2.350   2.942
   49    HD1  PHE   6           1HD      PHE   6   2.748   0.756   4.692
   50    HD2  PHE   6           2HD      PHE   6  -1.034   2.457   3.469
   51    HE1  PHE   6           1HE      PHE   6   1.583  -0.998   5.842
   52    HE2  PHE   6           2HE      PHE   6  -2.195   0.862   4.915
   53    HZ   PHE   6           HZ       PHE   6  -0.936  -0.962   6.028
   54    H    SER   7           H        SER   7   3.893   5.341   3.957
   55    HA   SER   7           HA       SER   7   4.275   6.559   1.262
   56   1HB   SER   7          2HB       SER   7   4.587   8.060   3.143
   57   2HB   SER   7          3HB       SER   7   5.730   6.960   3.914
   58    HG   SER   7           HG       SER   7   7.112   7.295   2.101
   59    H    VAL   8           H        VAL   8   5.919   5.710  -0.062
   60    HA   VAL   8           HA       VAL   8   7.199   3.190   0.880
   61    HB   VAL   8           HB       VAL   8   5.631   3.334  -1.700
   62   1HG1  VAL   8          1HG1      VAL   8   6.227   1.006   0.179
   63   2HG1  VAL   8          2HG1      VAL   8   5.427   0.893  -1.397
   64   3HG1  VAL   8          3HG1      VAL   8   7.121   1.318  -1.308
   65   1HG2  VAL   8          1HG2      VAL   8   3.751   2.140  -0.509
   66   2HG2  VAL   8          2HG2      VAL   8   4.473   2.628   1.020
   67   3HG2  VAL   8          3HG2      VAL   8   3.891   3.855  -0.139
   68    H    ASP   9           H        ASP   9   8.607   2.391  -1.019
   69    HA   ASP   9           HA       ASP   9   9.668   4.603  -2.696
   70   1HB   ASP   9          2HB       ASP   9  11.600   3.453  -1.904
   71   2HB   ASP   9          3HB       ASP   9  10.858   1.865  -2.144
   72    H    MET  10           H        MET  10   9.291   4.337  -4.812
   73    HA   MET  10           HA       MET  10   7.911   2.172  -5.993
   74   1HB   MET  10          2HB       MET  10   6.319   4.764  -5.838
   75   2HB   MET  10          3HB       MET  10   5.935   3.382  -6.867
   76   1HG   MET  10          2HG       MET  10   5.445   1.980  -5.007
   77   2HG   MET  10          3HG       MET  10   6.090   3.144  -3.862
   78   1HE   MET  10          1HE       MET  10   2.137   4.171  -5.851
   79   2HE   MET  10          2HE       MET  10   3.683   4.215  -6.729
   80   3HE   MET  10          3HE       MET  10   2.974   2.648  -6.245
   81    H    THR  11           H        THR  11  10.271   2.754  -6.553
   82    HA   THR  11           HA       THR  11  10.795   5.187  -7.833
   83    HB   THR  11           HB       THR  11  12.523   3.948  -6.667
   84    HG1  THR  11           1HG      THR  11  12.775   4.796  -9.270
   85   1HG2  THR  11          1HG2      THR  11  12.345   1.880  -8.910
   86   2HG2  THR  11          2HG2      THR  11  13.600   1.969  -7.656
   87   3HG2  THR  11          3HG2      THR  11  11.929   1.632  -7.198
   88    H    CYS  12           HN       CYS  12   9.418   2.305  -9.264
   89    HA   CYS  12           HA       CYS  12   9.357   3.717 -11.821
   90   1HB   CYS  12          2HB       CYS  12  10.013   1.804 -13.124
   91   2HB   CYS  12          3HB       CYS  12  11.305   2.130 -11.971
   92    H    GLY  13           H        GLY  13   7.624   2.777 -13.150
   93   1HA   GLY  13          2HA       GLY  13   5.133   2.393 -12.016
   94   2HA   GLY  13          3HA       GLY  13   5.631   1.715 -13.573
   95    H    GLY  14           H        GLY  14   7.568  -0.069 -12.843
   96   1HA   GLY  14          2HA       GLY  14   6.267  -2.396 -12.325
   97   2HA   GLY  14          3HA       GLY  14   7.999  -2.124 -12.022
   98    H    CYS  15           HN       CYS  15   7.700  -0.208  -9.834
   99    HA   CYS  15           HA       CYS  15   7.341  -2.099  -7.654
  100   1HB   CYS  15          2HB       CYS  15   7.592   0.909  -7.735
  101   2HB   CYS  15          3HB       CYS  15   7.509  -0.056  -6.244
  102    H    ALA  16           H        ALA  16   5.362   0.522  -9.098
  103    HA   ALA  16           HA       ALA  16   3.267   0.418  -7.112
  104   1HB   ALA  16          1HB       ALA  16   3.586   2.367  -8.573
  105   2HB   ALA  16          2HB       ALA  16   3.182   1.395 -10.003
  106   3HB   ALA  16          3HB       ALA  16   1.963   1.681  -8.759
  107    H    GLU  17           H        GLU  17   3.735  -1.069 -10.332
  108    HA   GLU  17           HA       GLU  17   1.346  -2.560 -10.492
  109   1HB   GLU  17          2HB       GLU  17   4.150  -3.164 -11.513
  110   2HB   GLU  17          3HB       GLU  17   2.702  -4.022 -12.035
  111   1HG   GLU  17          2HG       GLU  17   1.813  -2.130 -13.142
  112   2HG   GLU  17          3HG       GLU  17   2.855  -0.989 -12.291
  113    H    ALA  18           H        ALA  18   4.555  -3.531  -9.150
  114    HA   ALA  18           HA       ALA  18   3.817  -6.105  -8.264
  115   1HB   ALA  18          1HB       ALA  18   5.834  -4.172  -7.037
  116   2HB   ALA  18          2HB       ALA  18   5.756  -5.920  -6.750
  117   3HB   ALA  18          3HB       ALA  18   6.154  -5.306  -8.370
  118    H    VAL  19           H        VAL  19   3.795  -2.973  -6.405
  119    HA   VAL  19           HA       VAL  19   2.797  -3.957  -3.999
  120    HB   VAL  19           HB       VAL  19   2.508  -1.315  -5.492
  121   1HG1  VAL  19          1HG1      VAL  19   0.567  -1.355  -4.162
  122   2HG1  VAL  19          2HG1      VAL  19   1.420  -2.204  -2.836
  123   3HG1  VAL  19          3HG1      VAL  19   1.763  -0.480  -3.200
  124   1HG2  VAL  19          1HG2      VAL  19   4.774  -2.111  -4.411
  125   2HG2  VAL  19          2HG2      VAL  19   4.173  -0.473  -4.095
  126   3HG2  VAL  19          3HG2      VAL  19   3.962  -1.730  -2.877
  127    H    SER  20           H        SER  20   1.066  -2.753  -6.890
  128    HA   SER  20           HA       SER  20  -1.531  -3.022  -5.900
  129   1HB   SER  20          2HB       SER  20  -0.701  -1.926  -8.068
  130   2HB   SER  20          3HB       SER  20  -0.679  -3.511  -8.812
  131    HG   SER  20           HG       SER  20  -3.022  -2.600  -7.521
  132    H    ARG  21           H        ARG  21   0.341  -5.332  -7.849
  133    HA   ARG  21           HA       ARG  21  -1.417  -7.507  -7.793
  134   1HB   ARG  21          2HB       ARG  21   0.215  -8.362  -8.974
  135   2HB   ARG  21          3HB       ARG  21   1.246  -7.014  -8.591
  136   1HG   ARG  21          2HG       ARG  21   2.206  -8.197  -6.670
  137   2HG   ARG  21          3HG       ARG  21   1.143  -9.581  -6.953
  138   1HD   ARG  21          2HD       ARG  21   2.152  -9.934  -9.162
  139   2HD   ARG  21          3HD       ARG  21   3.089  -8.428  -8.999
  140    HE   ARG  21           HE       ARG  21   3.692 -10.147  -6.811
  141   1HH1  ARG  21          2HH2      ARG  21   4.236  -9.854 -10.279
  142   2HH1  ARG  21          1HH2      ARG  21   5.779 -10.648 -10.285
  143   1HH2  ARG  21          2HH1      ARG  21   5.755 -11.221  -6.764
  144   2HH2  ARG  21          1HH1      ARG  21   6.652 -11.457  -8.227
  145    H    VAL  22           H        VAL  22   0.909  -6.506  -5.290
  146    HA   VAL  22           HA       VAL  22   0.592  -8.768  -3.578
  147    HB   VAL  22           HB       VAL  22   2.075  -6.286  -3.697
  148   1HG1  VAL  22          1HG1      VAL  22   0.959  -6.803  -0.944
  149   2HG1  VAL  22          2HG1      VAL  22   2.272  -5.704  -1.354
  150   3HG1  VAL  22          3HG1      VAL  22   0.662  -5.343  -1.936
  151   1HG2  VAL  22          1HG2      VAL  22   2.415  -8.667  -1.893
  152   2HG2  VAL  22          2HG2      VAL  22   3.036  -8.494  -3.560
  153   3HG2  VAL  22          3HG2      VAL  22   3.614  -7.404  -2.279
  154    H    LEU  23           H        LEU  23  -0.905  -5.564  -3.638
  155    HA   LEU  23           HA       LEU  23  -2.679  -6.068  -1.391
  156   1HB   LEU  23          2HB       LEU  23  -2.230  -3.900  -3.415
  157   2HB   LEU  23          3HB       LEU  23  -3.785  -3.910  -2.666
  158    HG   LEU  23           HG       LEU  23  -1.147  -4.003  -1.116
  159   1HD1  LEU  23          1HD1      LEU  23  -2.938  -1.634  -1.768
  160   2HD1  LEU  23          2HD1      LEU  23  -1.465  -1.599  -0.766
  161   3HD1  LEU  23          3HD1      LEU  23  -1.341  -1.924  -2.507
  162   1HD2  LEU  23          1HD2      LEU  23  -3.196  -4.728   0.165
  163   2HD2  LEU  23          2HD2      LEU  23  -2.607  -3.147   0.712
  164   3HD2  LEU  23          3HD2      LEU  23  -4.000  -3.252  -0.394
  165    H    ASN  24           H        ASN  24  -2.943  -6.561  -4.886
  166    HA   ASN  24           HA       ASN  24  -5.762  -7.022  -4.898
  167   1HB   ASN  24          2HB       ASN  24  -4.472  -6.592  -6.945
  168   2HB   ASN  24          3HB       ASN  24  -3.603  -8.119  -6.739
  169   1HD2  ASN  24          1HD2      ASN  24  -6.870  -8.626  -5.731
  170   2HD2  ASN  24          2HD2      ASN  24  -7.409  -9.253  -7.271
  171    H    LYS  25           H        LYS  25  -2.915  -9.159  -4.379
  172    HA   LYS  25           HA       LYS  25  -4.293 -11.561  -4.080
  173   1HB   LYS  25          2HB       LYS  25  -1.749 -11.020  -3.912
  174   2HB   LYS  25          3HB       LYS  25  -2.032 -10.862  -2.178
  175   1HG   LYS  25          2HG       LYS  25  -2.996 -13.130  -2.089
  176   2HG   LYS  25          3HG       LYS  25  -2.812 -13.286  -3.852
  177   1HD   LYS  25          2HD       LYS  25  -0.355 -13.149  -3.644
  178   2HD   LYS  25          3HD       LYS  25  -0.499 -12.841  -1.911
  179   1HE   LYS  25          2HE       LYS  25   0.130 -15.182  -2.318
  180   2HE   LYS  25          3HE       LYS  25  -1.436 -15.067  -1.507
  181   1HZ   LYS  25          1HZ       LYS  25  -2.502 -15.478  -3.609
  182   2HZ   LYS  25          2HZ       LYS  25  -1.057 -15.534  -4.397
  183   3HZ   LYS  25          3HZ       LYS  25  -1.438 -16.681  -3.282
  184    H    LEU  26           H        LEU  26  -3.798  -9.052  -1.630
  185    HA   LEU  26           HA       LEU  26  -5.369 -10.239   0.491
  186   1HB   LEU  26          2HB       LEU  26  -3.805  -8.357   0.747
  187   2HB   LEU  26          3HB       LEU  26  -4.875  -7.316  -0.176
  188    HG   LEU  26           HG       LEU  26  -5.249  -6.587   1.888
  189   1HD1  LEU  26          1HD1      LEU  26  -7.320  -8.786   2.071
  190   2HD1  LEU  26          2HD1      LEU  26  -7.396  -7.099   2.628
  191   3HD1  LEU  26          3HD1      LEU  26  -7.442  -7.452   0.905
  192   1HD2  LEU  26          1HD2      LEU  26  -5.049  -9.392   3.007
  193   2HD2  LEU  26          2HD2      LEU  26  -3.899  -8.040   3.186
  194   3HD2  LEU  26          3HD2      LEU  26  -5.494  -7.937   3.934
  195    H    GLY  27           H        GLY  27  -6.219  -7.877  -2.099
  196   1HA   GLY  27          2HA       GLY  27  -8.007  -7.961  -3.535
  197   2HA   GLY  27          3HA       GLY  27  -8.656  -9.356  -2.671
  198    H    GLY  28           H        GLY  28  -9.130  -8.449  -0.162
  199   1HA   GLY  28          2HA       GLY  28 -11.512  -6.814  -0.477
  200   2HA   GLY  28          3HA       GLY  28 -10.804  -7.393   1.038
  201    H    VAL  29           H        VAL  29  -9.683  -5.166  -1.580
  202    HA   VAL  29           HA       VAL  29  -9.306  -2.999   0.416
  203    HB   VAL  29           HB       VAL  29  -7.023  -2.586  -0.426
  204   1HG1  VAL  29          1HG1      VAL  29  -5.878  -4.427   0.719
  205   2HG1  VAL  29          2HG1      VAL  29  -7.361  -4.022   1.626
  206   3HG1  VAL  29          3HG1      VAL  29  -7.300  -5.433   0.555
  207   1HG2  VAL  29          1HG2      VAL  29  -7.218  -5.327  -1.742
  208   2HG2  VAL  29          2HG2      VAL  29  -7.302  -3.804  -2.649
  209   3HG2  VAL  29          3HG2      VAL  29  -5.831  -4.209  -1.746
  210    H    LYS  30           H        LYS  30  -9.069  -0.889  -0.496
  211    HA   LYS  30           HA       LYS  30  -8.897  -0.698  -3.355
  212   1HB   LYS  30          2HB       LYS  30 -11.354  -0.378  -2.925
  213   2HB   LYS  30          3HB       LYS  30 -10.972   0.890  -1.772
  214   1HG   LYS  30          2HG       LYS  30 -11.711   1.787  -3.941
  215   2HG   LYS  30          3HG       LYS  30 -10.123   2.347  -3.473
  216   1HD   LYS  30          2HD       LYS  30 -10.382   1.823  -5.910
  217   2HD   LYS  30          3HD       LYS  30  -9.009   1.072  -5.144
  218   1HE   LYS  30          2HE       LYS  30 -10.111  -0.429  -6.731
  219   2HE   LYS  30          3HE       LYS  30 -10.081  -1.118  -5.117
  220   1HZ   LYS  30          1HZ       LYS  30 -12.412   0.204  -6.335
  221   2HZ   LYS  30          2HZ       LYS  30 -12.209  -1.415  -6.111
  222   3HZ   LYS  30          3HZ       LYS  30 -12.352  -0.423  -4.811
  223    H    TYR  31           H        TYR  31  -7.518   1.051  -3.870
  224    HA   TYR  31           HA       TYR  31  -6.526   2.698  -1.743
  225   1HB   TYR  31          2HB       TYR  31  -4.214   1.713  -1.958
  226   2HB   TYR  31          3HB       TYR  31  -5.385   0.611  -1.226
  227    HD1  TYR  31           HD1      TYR  31  -2.970   0.953  -3.866
  228    HD2  TYR  31           HD2      TYR  31  -6.412  -1.276  -2.545
  229    HE1  TYR  31           HE1      TYR  31  -2.392  -0.891  -5.413
  230    HE2  TYR  31           HE2      TYR  31  -6.000  -2.957  -4.315
  231    HH   TYR  31           HH       TYR  31  -4.504  -3.722  -5.907
  232    H    ASP  32           H        ASP  32  -5.220   4.372  -2.570
  233    HA   ASP  32           HA       ASP  32  -5.155   4.568  -5.554
  234   1HB   ASP  32          2HB       ASP  32  -6.439   6.394  -4.466
  235   2HB   ASP  32          3HB       ASP  32  -4.995   6.841  -3.540
  236    H    ILE  33           H        ILE  33  -3.177   5.486  -6.410
  237    HA   ILE  33           HA       ILE  33  -0.769   4.335  -5.050
  238    HB   ILE  33           HB       ILE  33  -2.045   3.831  -7.766
  239   1HG1  ILE  33          2HG1      ILE  33  -1.315   1.862  -5.559
  240   2HG1  ILE  33          3HG1      ILE  33  -2.947   2.545  -5.750
  241   1HG2  ILE  33          1HG2      ILE  33   0.575   2.716  -6.719
  242   2HG2  ILE  33          2HG2      ILE  33  -0.199   2.358  -8.284
  243   3HG2  ILE  33          3HG2      ILE  33   0.425   3.975  -7.970
  244   1HD1  ILE  33          1HD1      ILE  33  -2.877   1.734  -8.209
  245   2HD1  ILE  33          2HD1      ILE  33  -1.626   0.609  -7.627
  246   3HD1  ILE  33          3HD1      ILE  33  -3.267   0.603  -6.935
  247    H    ASP  34           H        ASP  34   0.336   6.274  -4.813
  248    HA   ASP  34           HA       ASP  34   0.483   8.126  -7.169
  249   1HB   ASP  34          2HB       ASP  34  -0.136   9.097  -4.971
  250   2HB   ASP  34          3HB       ASP  34   1.439   8.564  -4.344
  251    H    LEU  35           H        LEU  35   2.115   7.635  -8.490
  252    HA   LEU  35           HA       LEU  35   4.508   6.188  -7.638
  253   1HB   LEU  35          2HB       LEU  35   3.400   7.223 -10.220
  254   2HB   LEU  35          3HB       LEU  35   5.148   7.047 -10.083
  255    HG   LEU  35           HG       LEU  35   3.306   4.774  -9.256
  256   1HD1  LEU  35          1HD1      LEU  35   4.269   5.254 -12.104
  257   2HD1  LEU  35          2HD1      LEU  35   3.398   3.826 -11.506
  258   3HD1  LEU  35          3HD1      LEU  35   2.590   5.400 -11.535
  259   1HD2  LEU  35          1HD2      LEU  35   6.109   4.774 -10.498
  260   2HD2  LEU  35          2HD2      LEU  35   5.773   4.626  -8.768
  261   3HD2  LEU  35          3HD2      LEU  35   5.247   3.357  -9.886
  262    HA   PRO  36           HA       PRO  36   6.809  10.230  -8.662
  263   1HB   PRO  36          2HB       PRO  36   5.456  12.667  -8.443
  264   2HB   PRO  36          3HB       PRO  36   5.795  11.780  -9.956
  265   1HG   PRO  36          2HG       PRO  36   3.277  11.710  -8.284
  266   2HG   PRO  36          3HG       PRO  36   3.412  11.886 -10.058
  267   1HD   PRO  36          2HD       PRO  36   2.839   9.522  -8.983
  268   2HD   PRO  36          3HD       PRO  36   4.035   9.586 -10.307
  269    H    ASN  37           H        ASN  37   4.232  10.345  -6.219
  270    HA   ASN  37           HA       ASN  37   6.130  11.531  -4.222
  271   1HB   ASN  37          2HB       ASN  37   3.194  10.823  -3.917
  272   2HB   ASN  37          3HB       ASN  37   4.240  11.438  -2.657
  273   1HD2  ASN  37          1HD2      ASN  37   2.129  12.444  -5.160
  274   2HD2  ASN  37          2HD2      ASN  37   2.619  14.137  -5.160
  275    H    LYS  38           H        LYS  38   5.070   8.427  -5.329
  276    HA   LYS  38           HA       LYS  38   5.276   6.357  -4.685
  277   1HB   LYS  38          2HB       LYS  38   7.391   7.214  -2.756
  278   2HB   LYS  38          3HB       LYS  38   7.114   5.641  -3.454
  279   1HG   LYS  38          2HG       LYS  38   9.009   6.373  -4.585
  280   2HG   LYS  38          3HG       LYS  38   7.677   6.553  -5.719
  281   1HD   LYS  38          2HD       LYS  38   9.106   8.360  -6.038
  282   2HD   LYS  38          3HD       LYS  38   7.701   9.020  -5.276
  283   1HE   LYS  38          2HE       LYS  38  10.454   8.512  -4.055
  284   2HE   LYS  38          3HE       LYS  38   9.676  10.068  -4.383
  285   1HZ   LYS  38          1HZ       LYS  38   7.981   9.367  -2.687
  286   2HZ   LYS  38          2HZ       LYS  38   8.981   8.135  -2.290
  287   3HZ   LYS  38          3HZ       LYS  38   9.488   9.685  -2.099
  288    H    LYS  39           H        LYS  39   3.021   6.602  -3.753
  289    HA   LYS  39           HA       LYS  39   3.064   6.031  -0.877
  290   1HB   LYS  39          2HB       LYS  39   1.463   8.280  -2.218
  291   2HB   LYS  39          3HB       LYS  39   1.002   7.511  -0.721
  292   1HG   LYS  39          2HG       LYS  39   3.186   8.228   0.287
  293   2HG   LYS  39          3HG       LYS  39   3.516   9.160  -1.189
  294   1HD   LYS  39          2HD       LYS  39   1.414  10.432  -0.863
  295   2HD   LYS  39          3HD       LYS  39   0.977   9.393   0.503
  296   1HE   LYS  39          2HE       LYS  39   3.038  10.196   1.719
  297   2HE   LYS  39          3HE       LYS  39   3.269  11.396   0.430
  298   1HZ   LYS  39          1HZ       LYS  39   2.018  12.263   2.332
  299   2HZ   LYS  39          2HZ       LYS  39   1.050  12.242   0.993
  300   3HZ   LYS  39          3HZ       LYS  39   0.879  11.097   2.144
  301    H    VAL  40           H        VAL  40   1.230   4.933  -0.212
  302    HA   VAL  40           HA       VAL  40  -0.700   4.046  -2.284
  303    HB   VAL  40           HB       VAL  40   0.451   2.366  -0.023
  304   1HG1  VAL  40          1HG1      VAL  40  -1.465   1.761  -2.308
  305   2HG1  VAL  40          2HG1      VAL  40  -0.801   0.556  -1.185
  306   3HG1  VAL  40          3HG1      VAL  40  -1.870   1.838  -0.581
  307   1HG2  VAL  40          1HG2      VAL  40   0.910   2.060  -3.011
  308   2HG2  VAL  40          2HG2      VAL  40   2.104   2.741  -1.887
  309   3HG2  VAL  40          3HG2      VAL  40   1.577   1.075  -1.675
  310    H    CYS  41           H        CYS  41  -2.546   5.072  -1.686
  311    HA   CYS  41           HA       CYS  41  -3.142   5.611   1.222
  312   1HB   CYS  41          2HB       CYS  41  -4.332   6.709  -1.357
  313   2HB   CYS  41          3HB       CYS  41  -4.909   7.110   0.263
  314    HG   CYS  41           HG       CYS  41  -2.881   8.427   1.092
  315    H    ILE  42           H        ILE  42  -3.784   3.579   1.923
  316    HA   ILE  42           HA       ILE  42  -5.741   2.196   0.299
  317    HB   ILE  42           HB       ILE  42  -4.369   1.650   2.939
  318   1HG1  ILE  42          2HG1      ILE  42  -4.439  -0.476   0.927
  319   2HG1  ILE  42          3HG1      ILE  42  -3.738   0.988   0.291
  320   1HG2  ILE  42          1HG2      ILE  42  -6.666   0.928   3.346
  321   2HG2  ILE  42          2HG2      ILE  42  -6.636  -0.033   1.844
  322   3HG2  ILE  42          3HG2      ILE  42  -5.568  -0.417   3.216
  323   1HD1  ILE  42          1HD1      ILE  42  -2.073  -0.612   1.326
  324   2HD1  ILE  42          2HD1      ILE  42  -1.999   1.067   1.871
  325   3HD1  ILE  42          3HD1      ILE  42  -2.742  -0.172   2.898
  326    H    GLU  43           H        GLU  43  -7.946   2.024   0.708
  327    HA   GLU  43           HA       GLU  43  -8.988   3.070   3.249
  328   1HB   GLU  43          2HB       GLU  43  -9.361   4.580   0.890
  329   2HB   GLU  43          3HB       GLU  43 -10.810   3.586   0.968
  330   1HG   GLU  43          2HG       GLU  43 -10.968   4.329   3.460
  331   2HG   GLU  43          3HG       GLU  43  -9.783   5.560   3.029
  332    H    SER  44           H        SER  44  -9.943   1.222   4.132
  333    HA   SER  44           HA       SER  44 -11.825  -0.235   2.505
  334   1HB   SER  44          2HB       SER  44  -9.616  -1.312   1.858
  335   2HB   SER  44          3HB       SER  44  -9.463  -1.854   3.540
  336    HG   SER  44           HG       SER  44 -10.538  -3.451   2.249
  337    H    GLU  45           H        GLU  45 -12.886  -1.932   3.767
  338    HA   GLU  45           HA       GLU  45 -13.123  -1.193   6.637
  339   1HB   GLU  45          2HB       GLU  45 -15.119  -1.423   5.028
  340   2HB   GLU  45          3HB       GLU  45 -14.862  -3.171   5.109
  341   1HG   GLU  45          2HG       GLU  45 -15.299  -3.158   7.502
  342   2HG   GLU  45          3HG       GLU  45 -15.236  -1.385   7.564
  343    H    HIS  46           H        HIS  46 -10.729  -2.036   6.309
  344    HA   HIS  46           HA       HIS  46 -10.513  -4.840   7.197
  345   1HB   HIS  46          2HB       HIS  46 -10.271  -4.245   4.554
  346   2HB   HIS  46          3HB       HIS  46  -8.656  -3.772   5.060
  347    HD1  HIS  46           1HD      HIS  46  -7.716  -6.156   6.831
  348    HD2  HIS  46           2HD      HIS  46 -10.264  -6.454   3.502
  349    HE1  HIS  46           1HE      HIS  46  -7.639  -8.590   6.063
  350    H    SER  47           H        SER  47  -8.782  -4.931   8.753
  351    HA   SER  47           HA       SER  47  -7.970  -2.402   9.771
  352   1HB   SER  47          2HB       SER  47  -8.130  -4.418  11.213
  353   2HB   SER  47          3HB       SER  47  -6.743  -5.115  10.339
  354    HG   SER  47           HG       SER  47  -6.724  -2.706  11.861
  355    H    MET  48           H        MET  48  -6.152  -1.288   9.679
  356    HA   MET  48           HA       MET  48  -4.182  -1.358   7.731
  357   1HB   MET  48          2HB       MET  48  -2.781  -0.051   9.144
  358   2HB   MET  48          3HB       MET  48  -4.428   0.573   9.159
  359   1HG   MET  48          2HG       MET  48  -3.386  -1.258  11.300
  360   2HG   MET  48          3HG       MET  48  -3.139   0.490  11.350
  361   1HE   MET  48          1HE       MET  48  -4.161   0.384  13.820
  362   2HE   MET  48          2HE       MET  48  -5.796  -0.224  14.172
  363   3HE   MET  48          3HE       MET  48  -4.526  -1.353  13.639
  364    H    ASP  49           H        ASP  49  -4.387  -3.382  10.658
  365    HA   ASP  49           HA       ASP  49  -1.799  -4.481  10.783
  366   1HB   ASP  49          2HB       ASP  49  -3.239  -5.256  12.457
  367   2HB   ASP  49          3HB       ASP  49  -4.606  -5.447  11.359
  368    H    THR  50           H        THR  50  -4.550  -5.877   8.961
  369    HA   THR  50           HA       THR  50  -2.904  -7.861   7.889
  370    HB   THR  50           HB       THR  50  -5.515  -7.147   6.583
  371    HG1  THR  50           1HG      THR  50  -5.137  -7.783   9.331
  372   1HG2  THR  50          1HG2      THR  50  -5.865  -9.608   6.907
  373   2HG2  THR  50          2HG2      THR  50  -4.356  -9.268   6.033
  374   3HG2  THR  50          3HG2      THR  50  -4.320  -9.708   7.756
  375    H    LEU  51           H        LEU  51  -4.061  -4.746   6.573
  376    HA   LEU  51           HA       LEU  51  -3.055  -4.940   3.928
  377   1HB   LEU  51          2HB       LEU  51  -3.586  -2.729   5.934
  378   2HB   LEU  51          3HB       LEU  51  -2.790  -2.362   4.434
  379    HG   LEU  51           HG       LEU  51  -5.328  -2.146   4.724
  380   1HD1  LEU  51          1HD1      LEU  51  -3.938  -1.961   2.651
  381   2HD1  LEU  51          2HD1      LEU  51  -4.193  -3.683   2.347
  382   3HD1  LEU  51          3HD1      LEU  51  -5.568  -2.547   2.284
  383   1HD2  LEU  51          1HD2      LEU  51  -6.715  -4.020   3.946
  384   2HD2  LEU  51          2HD2      LEU  51  -5.345  -5.121   4.036
  385   3HD2  LEU  51          3HD2      LEU  51  -5.989  -4.371   5.514
  386    H    LEU  52           H        LEU  52  -1.575  -3.555   6.874
  387    HA   LEU  52           HA       LEU  52   1.018  -3.086   6.070
  388   1HB   LEU  52          2HB       LEU  52  -0.211  -3.842   8.626
  389   2HB   LEU  52          3HB       LEU  52   1.474  -4.256   8.463
  390    HG   LEU  52           HG       LEU  52   0.553  -1.488   7.692
  391   1HD1  LEU  52          1HD1      LEU  52   0.901  -0.777  10.020
  392   2HD1  LEU  52          2HD1      LEU  52  -0.558  -1.722   9.687
  393   3HD1  LEU  52          3HD1      LEU  52   0.838  -2.497  10.494
  394   1HD2  LEU  52          1HD2      LEU  52   3.069  -2.551   9.075
  395   2HD2  LEU  52          2HD2      LEU  52   2.953  -2.237   7.332
  396   3HD2  LEU  52          3HD2      LEU  52   2.816  -0.898   8.489
  397    H    ALA  53           H        ALA  53  -0.063  -6.209   7.508
  398    HA   ALA  53           HA       ALA  53   2.358  -7.561   7.077
  399   1HB   ALA  53          1HB       ALA  53  -0.471  -8.732   7.126
  400   2HB   ALA  53          2HB       ALA  53   1.034  -9.627   7.433
  401   3HB   ALA  53          3HB       ALA  53   0.513  -8.353   8.555
  402    H    THR  54           H        THR  54  -0.354  -7.161   4.790
  403    HA   THR  54           HA       THR  54   0.858  -8.781   2.711
  404    HB   THR  54           HB       THR  54  -1.410  -6.794   2.878
  405    HG1  THR  54           1HG      THR  54  -1.324  -9.481   2.004
  406   1HG2  THR  54          1HG2      THR  54  -0.493  -6.351   0.682
  407   2HG2  THR  54          2HG2      THR  54  -0.379  -8.108   0.341
  408   3HG2  THR  54          3HG2      THR  54  -1.950  -7.309   0.531
  409    H    LEU  55           H        LEU  55   0.834  -5.193   3.318
  410    HA   LEU  55           HA       LEU  55   2.023  -4.663   0.812
  411   1HB   LEU  55          2HB       LEU  55   0.778  -3.219   2.951
  412   2HB   LEU  55          3HB       LEU  55   2.360  -2.486   2.725
  413    HG   LEU  55           HG       LEU  55   0.130  -2.778   0.725
  414   1HD1  LEU  55          1HD1      LEU  55   0.219  -0.300   0.824
  415   2HD1  LEU  55          2HD1      LEU  55   0.002  -0.966   2.456
  416   3HD1  LEU  55          3HD1      LEU  55   1.592  -0.376   1.936
  417   1HD2  LEU  55          1HD2      LEU  55   2.103  -3.081  -0.601
  418   2HD2  LEU  55          2HD2      LEU  55   1.720  -1.356  -0.711
  419   3HD2  LEU  55          3HD2      LEU  55   3.023  -1.906   0.370
  420    H    LYS  56           H        LYS  56   3.257  -5.175   4.080
  421    HA   LYS  56           HA       LYS  56   5.877  -4.380   4.007
  422   1HB   LYS  56          2HB       LYS  56   4.544  -5.091   5.885
  423   2HB   LYS  56          3HB       LYS  56   4.366  -6.726   5.251
  424   1HG   LYS  56          2HG       LYS  56   6.503  -7.250   5.528
  425   2HG   LYS  56          3HG       LYS  56   7.106  -5.573   5.795
  426   1HD   LYS  56          2HD       LYS  56   5.586  -5.573   7.898
  427   2HD   LYS  56          3HD       LYS  56   5.470  -7.324   7.716
  428   1HE   LYS  56          2HE       LYS  56   7.987  -5.629   8.168
  429   2HE   LYS  56          3HE       LYS  56   7.214  -6.694   9.348
  430   1HZ   LYS  56          1HZ       LYS  56   9.131  -7.712   8.363
  431   2HZ   LYS  56          2HZ       LYS  56   7.790  -8.563   7.941
  432   3HZ   LYS  56          3HZ       LYS  56   8.516  -7.561   6.849
  433    H    LYS  57           H        LYS  57   4.309  -7.188   2.523
  434    HA   LYS  57           HA       LYS  57   6.704  -8.714   2.107
  435   1HB   LYS  57          2HB       LYS  57   4.178  -8.896   0.435
  436   2HB   LYS  57          3HB       LYS  57   5.462 -10.102   0.617
  437   1HG   LYS  57          2HG       LYS  57   4.923 -10.052   3.151
  438   2HG   LYS  57          3HG       LYS  57   3.453  -9.179   2.676
  439   1HD   LYS  57          2HD       LYS  57   3.083 -11.155   0.999
  440   2HD   LYS  57          3HD       LYS  57   4.271 -12.016   1.979
  441   1HE   LYS  57          2HE       LYS  57   1.490 -11.030   2.720
  442   2HE   LYS  57          3HE       LYS  57   2.146 -12.663   2.841
  443   1HZ   LYS  57          1HZ       LYS  57   1.973 -11.685   4.984
  444   2HZ   LYS  57          2HZ       LYS  57   3.581 -11.794   4.645
  445   3HZ   LYS  57          3HZ       LYS  57   2.792 -10.339   4.540
  446    H    THR  58           H        THR  58   5.575  -5.874   0.402
  447    HA   THR  58           HA       THR  58   7.123  -6.277  -2.065
  448    HB   THR  58           HB       THR  58   6.818  -3.975  -2.418
  449    HG1  THR  58           1HG      THR  58   5.674  -3.707   0.170
  450   1HG2  THR  58          1HG2      THR  58   4.372  -3.749  -2.195
  451   2HG2  THR  58          2HG2      THR  58   4.850  -5.346  -2.804
  452   3HG2  THR  58          3HG2      THR  58   4.350  -5.136  -1.108
  453    H    GLY  59           H        GLY  59   7.810  -5.335   1.237
  454   1HA   GLY  59          2HA       GLY  59   9.583  -4.664   2.296
  455   2HA   GLY  59          3HA       GLY  59  10.541  -5.742   1.243
  456    H    LYS  60           H        LYS  60   8.715  -2.836   0.301
  457    HA   LYS  60           HA       LYS  60  11.112  -1.460  -0.726
  458   1HB   LYS  60          2HB       LYS  60   8.288  -0.463  -0.274
  459   2HB   LYS  60          3HB       LYS  60   9.477   0.299  -1.310
  460   1HG   LYS  60          2HG       LYS  60   8.108  -2.364  -1.786
  461   2HG   LYS  60          3HG       LYS  60   7.814  -0.866  -2.654
  462   1HD   LYS  60          2HD       LYS  60  10.261  -2.673  -2.784
  463   2HD   LYS  60          3HD       LYS  60   9.096  -2.303  -4.057
  464   1HE   LYS  60          2HE       LYS  60   9.776   0.211  -3.675
  465   2HE   LYS  60          3HE       LYS  60  11.185  -0.421  -2.818
  466   1HZ   LYS  60          1HZ       LYS  60  10.514  -0.714  -5.676
  467   2HZ   LYS  60          2HZ       LYS  60  11.653   0.200  -4.940
  468   3HZ   LYS  60          3HZ       LYS  60  11.819  -1.452  -4.934
  469    H    THR  61           H        THR  61  10.961   1.100   0.061
  470    HA   THR  61           HA       THR  61  11.405   1.204   2.884
  471    HB   THR  61           HB       THR  61  10.909   3.488   1.050
  472    HG1  THR  61           1HG      THR  61  13.258   1.917   1.228
  473   1HG2  THR  61          1HG2      THR  61  11.381   4.057   3.424
  474   2HG2  THR  61          2HG2      THR  61  12.887   3.114   3.353
  475   3HG2  THR  61          3HG2      THR  61  12.707   4.583   2.371
  476    H    VAL  62           H        VAL  62   9.112   0.065   3.006
  477    HA   VAL  62           HA       VAL  62   6.837   1.851   2.719
  478    HB   VAL  62           HB       VAL  62   6.597  -0.272   1.949
  479   1HG1  VAL  62          1HG1      VAL  62   6.480  -2.311   3.224
  480   2HG1  VAL  62          2HG1      VAL  62   8.087  -1.619   3.447
  481   3HG1  VAL  62          3HG1      VAL  62   6.868  -1.471   4.733
  482   1HG2  VAL  62          1HG2      VAL  62   4.627   0.875   2.897
  483   2HG2  VAL  62          2HG2      VAL  62   4.466  -0.891   2.933
  484   3HG2  VAL  62          3HG2      VAL  62   4.871  -0.013   4.422
  485    H    SER  63           H        SER  63   6.796   3.420   4.087
  486    HA   SER  63           HA       SER  63   6.886   2.931   7.040
  487   1HB   SER  63          2HB       SER  63   6.978   5.505   7.038
  488   2HB   SER  63          3HB       SER  63   8.423   4.587   6.572
  489    HG   SER  63           HG       SER  63   8.110   6.215   5.076
  490    H    TYR  64           H        TYR  64   4.915   2.490   7.828
  491    HA   TYR  64           HA       TYR  64   2.488   3.381   6.487
  492   1HB   TYR  64          2HB       TYR  64   2.553   1.185   7.498
  493   2HB   TYR  64          3HB       TYR  64   2.994   1.868   9.067
  494    HD1  TYR  64           HD1      TYR  64   0.332   2.737   6.532
  495    HD2  TYR  64           HD2      TYR  64   1.207   1.590  10.592
  496    HE1  TYR  64           HE1      TYR  64  -1.889   3.498   7.240
  497    HE2  TYR  64           HE2      TYR  64  -1.140   2.053  11.216
  498    HH   TYR  64           HH       TYR  64  -2.964   4.206   9.396
  499    H    LEU  65           H        LEU  65   1.245   5.113   7.049
  500    HA   LEU  65           HA       LEU  65   2.231   7.023   9.072
  501   1HB   LEU  65          2HB       LEU  65   0.164   7.295   6.894
  502   2HB   LEU  65          3HB       LEU  65   0.526   8.503   8.123
  503    HG   LEU  65           HG       LEU  65   3.057   8.143   7.385
  504   1HD1  LEU  65          1HD1      LEU  65   3.264   7.815   4.968
  505   2HD1  LEU  65          2HD1      LEU  65   2.666   6.355   5.750
  506   3HD1  LEU  65          3HD1      LEU  65   1.542   7.399   4.855
  507   1HD2  LEU  65          1HD2      LEU  65   2.820  10.004   5.837
  508   2HD2  LEU  65          2HD2      LEU  65   1.050   9.768   5.807
  509   3HD2  LEU  65          3HD2      LEU  65   1.873  10.222   7.327
  510    H    GLY  66           H        GLY  66   0.012   8.154  10.106
  511   1HA   GLY  66          2HA       GLY  66  -0.808   6.282  12.088
  512   2HA   GLY  66          3HA       GLY  66  -1.489   7.890  11.802
  513    H    LEU  67           H        LEU  67  -3.316   6.389  12.643
  514    HA   LEU  67           HA       LEU  67  -4.861   5.039  10.520
  515   1HB   LEU  67          2HB       LEU  67  -5.007   4.163  12.791
  516   2HB   LEU  67          3HB       LEU  67  -5.381   5.769  13.432
  517    HG   LEU  67           HG       LEU  67  -7.551   5.777  12.257
  518   1HD1  LEU  67          1HD1      LEU  67  -7.076   4.386  10.304
  519   2HD1  LEU  67          2HD1      LEU  67  -6.717   2.988  11.349
  520   3HD1  LEU  67          3HD1      LEU  67  -8.369   3.638  11.245
  521   1HD2  LEU  67          1HD2      LEU  67  -7.371   4.882  14.553
  522   2HD2  LEU  67          2HD2      LEU  67  -8.631   4.048  13.628
  523   3HD2  LEU  67          3HD2      LEU  67  -7.063   3.257  13.900
  524    H    GLU  68           H        GLU  68  -6.254   6.243   9.185
  525    HA   GLU  68           HA       GLU  68  -6.977   9.015   9.979
  526   1HB   GLU  68          2HB       GLU  68  -5.890   8.002   7.329
  527   2HB   GLU  68          3HB       GLU  68  -6.517   9.635   7.623
  528   1HG   GLU  68          2HG       GLU  68  -4.636  10.107   9.132
  529   2HG   GLU  68          3HG       GLU  68  -4.054   8.434   8.990
  Start of MODEL   27
    1   1H    MET   1           H1       MET   1  -8.718   2.748  11.318
    2   2H    MET   1           H2       MET   1  -8.127   1.432  12.135
    3   3H    MET   1           H3       MET   1  -7.419   1.916  10.728
    4    HA   MET   1           HA       MET   1  -8.650   0.013  10.323
    5   1HB   MET   1          2HB       MET   1 -10.881   1.516  11.666
    6   2HB   MET   1          3HB       MET   1 -11.234   0.289  10.421
    7   1HG   MET   1          2HG       MET   1 -10.037  -1.404  11.650
    8   2HG   MET   1          3HG       MET   1  -9.536  -0.229  12.883
    9   1HE   MET   1          1HE       MET   1 -10.894  -3.041  13.499
   10   2HE   MET   1          2HE       MET   1 -10.373  -1.884  14.753
   11   3HE   MET   1          3HE       MET   1 -12.016  -2.563  14.794
   12    HA   PRO   2           HA       PRO   2 -10.865   1.565   6.897
   13   1HB   PRO   2          2HB       PRO   2 -12.181   3.779   6.361
   14   2HB   PRO   2          3HB       PRO   2 -12.774   2.526   7.472
   15   1HG   PRO   2          2HG       PRO   2 -11.341   4.999   8.404
   16   2HG   PRO   2          3HG       PRO   2 -12.915   4.368   8.949
   17   1HD   PRO   2          2HD       PRO   2 -10.711   3.683  10.324
   18   2HD   PRO   2          3HD       PRO   2 -11.936   2.452   9.911
   19    H    LYS   3           H        LYS   3  -9.502   5.039   7.165
   20    HA   LYS   3           HA       LYS   3  -8.127   4.329   4.604
   21   1HB   LYS   3          2HB       LYS   3  -8.217   7.058   5.817
   22   2HB   LYS   3          3HB       LYS   3  -7.779   6.543   4.189
   23   1HG   LYS   3          2HG       LYS   3 -10.217   5.702   3.956
   24   2HG   LYS   3          3HG       LYS   3 -10.525   6.550   5.470
   25   1HD   LYS   3          2HD       LYS   3  -9.296   8.584   4.128
   26   2HD   LYS   3          3HD       LYS   3  -9.788   7.626   2.737
   27   1HE   LYS   3          2HE       LYS   3 -11.569   9.143   3.086
   28   2HE   LYS   3          3HE       LYS   3 -12.156   7.608   3.743
   29   1HZ   LYS   3          1HZ       LYS   3 -11.043   9.913   5.227
   30   2HZ   LYS   3          2HZ       LYS   3 -12.587   9.395   5.298
   31   3HZ   LYS   3          3HZ       LYS   3 -11.376   8.506   5.975
   32    H    HIS   4           H        HIS   4  -6.099   3.495   4.907
   33    HA   HIS   4           HA       HIS   4  -4.391   4.814   6.997
   34   1HB   HIS   4          2HB       HIS   4  -4.460   1.877   6.249
   35   2HB   HIS   4          3HB       HIS   4  -3.037   2.668   6.943
   36    HD1  HIS   4           1HD      HIS   4  -3.700   4.208   9.297
   37    HD2  HIS   4           2HD      HIS   4  -6.066   0.935   8.104
   38    HE1  HIS   4           1HE      HIS   4  -5.001   3.473  11.349
   39    H    GLU   5           H        GLU   5  -3.071   6.108   6.100
   40    HA   GLU   5           HA       GLU   5  -2.281   5.905   3.357
   41   1HB   GLU   5          2HB       GLU   5  -0.991   7.561   5.457
   42   2HB   GLU   5          3HB       GLU   5  -1.062   7.946   3.777
   43   1HG   GLU   5          2HG       GLU   5  -2.678   9.383   4.663
   44   2HG   GLU   5          3HG       GLU   5  -3.752   7.979   4.553
   45    H    PHE   6           H        PHE   6  -0.356   4.918   2.509
   46    HA   PHE   6           HA       PHE   6   1.846   4.342   4.450
   47   1HB   PHE   6          2HB       PHE   6   0.954   2.617   2.122
   48   2HB   PHE   6          3HB       PHE   6   2.436   2.401   3.045
   49    HD1  PHE   6           1HD      PHE   6   2.459   1.098   5.054
   50    HD2  PHE   6           2HD      PHE   6  -1.325   2.370   3.392
   51    HE1  PHE   6           1HE      PHE   6   1.304  -0.372   6.555
   52    HE2  PHE   6           2HE      PHE   6  -2.500   0.919   4.986
   53    HZ   PHE   6           HZ       PHE   6  -1.208  -0.496   6.580
   54    H    SER   7           H        SER   7   3.784   5.089   3.867
   55    HA   SER   7           HA       SER   7   4.101   6.332   1.160
   56   1HB   SER   7          2HB       SER   7   4.777   7.719   3.088
   57   2HB   SER   7          3HB       SER   7   5.968   6.492   3.554
   58    HG   SER   7           HG       SER   7   6.854   6.866   1.373
   59    H    VAL   8           H        VAL   8   5.513   5.304  -0.277
   60    HA   VAL   8           HA       VAL   8   6.738   2.719   0.517
   61    HB   VAL   8           HB       VAL   8   4.665   3.071  -1.679
   62   1HG1  VAL   8          1HG1      VAL   8   6.371   1.433  -2.335
   63   2HG1  VAL   8          2HG1      VAL   8   6.241   0.621  -0.758
   64   3HG1  VAL   8          3HG1      VAL   8   4.890   0.579  -1.905
   65   1HG2  VAL   8          1HG2      VAL   8   3.495   2.923   0.482
   66   2HG2  VAL   8          2HG2      VAL   8   3.363   1.346  -0.303
   67   3HG2  VAL   8          3HG2      VAL   8   4.548   1.577   0.982
   68    H    ASP   9           H        ASP   9   8.737   2.800  -0.315
   69    HA   ASP   9           HA       ASP   9   9.787   4.362  -2.382
   70   1HB   ASP   9          2HB       ASP   9  11.438   3.145  -1.408
   71   2HB   ASP   9          3HB       ASP   9  10.434   1.694  -1.260
   72    H    MET  10           H        MET  10   8.699   4.794  -4.132
   73    HA   MET  10           HA       MET  10   8.098   2.628  -6.082
   74   1HB   MET  10          2HB       MET  10   7.015   5.462  -5.960
   75   2HB   MET  10          3HB       MET  10   6.738   4.302  -7.249
   76   1HG   MET  10          2HG       MET  10   5.839   3.927  -4.363
   77   2HG   MET  10          3HG       MET  10   4.840   4.570  -5.663
   78   1HE   MET  10          1HE       MET  10   2.950   3.003  -5.115
   79   2HE   MET  10          2HE       MET  10   3.093   1.236  -4.986
   80   3HE   MET  10          3HE       MET  10   3.893   2.280  -3.788
   81    H    THR  11           H        THR  11  10.534   2.653  -6.306
   82    HA   THR  11           HA       THR  11  11.736   4.990  -7.460
   83    HB   THR  11           HB       THR  11  12.979   3.343  -6.187
   84    HG1  THR  11           1HG      THR  11  14.758   3.330  -7.574
   85   1HG2  THR  11          1HG2      THR  11  12.576   1.484  -8.574
   86   2HG2  THR  11          2HG2      THR  11  13.781   1.254  -7.293
   87   3HG2  THR  11          3HG2      THR  11  12.069   1.219  -6.887
   88    H    CYS  12           HN       CYS  12   9.787   2.393  -8.914
   89    HA   CYS  12           HA       CYS  12   9.767   3.942 -11.366
   90   1HB   CYS  12          2HB       CYS  12  10.419   2.178 -12.862
   91   2HB   CYS  12          3HB       CYS  12  11.697   2.341 -11.664
   92    H    GLY  13           H        GLY  13   8.125   2.930 -12.889
   93   1HA   GLY  13          2HA       GLY  13   5.578   2.661 -11.834
   94   2HA   GLY  13          3HA       GLY  13   6.096   1.994 -13.386
   95    H    GLY  14           H        GLY  14   7.955   0.102 -12.543
   96   1HA   GLY  14          2HA       GLY  14   6.455  -2.179 -12.179
   97   2HA   GLY  14          3HA       GLY  14   8.186  -2.032 -11.811
   98    H    CYS  15           HN       CYS  15   7.776  -0.012  -9.648
   99    HA   CYS  15           HA       CYS  15   7.377  -1.803  -7.435
  100   1HB   CYS  15          2HB       CYS  15   7.319   1.219  -7.632
  101   2HB   CYS  15          3HB       CYS  15   7.410   0.306  -6.126
  102    H    ALA  16           H        ALA  16   5.291   0.617  -9.084
  103    HA   ALA  16           HA       ALA  16   3.090   0.367  -7.211
  104   1HB   ALA  16          1HB       ALA  16   3.180   2.357  -8.522
  105   2HB   ALA  16          2HB       ALA  16   3.226   1.448 -10.055
  106   3HB   ALA  16          3HB       ALA  16   1.771   1.432  -9.058
  107    H    GLU  17           H        GLU  17   3.893  -1.084 -10.394
  108    HA   GLU  17           HA       GLU  17   1.598  -2.701 -10.679
  109   1HB   GLU  17          2HB       GLU  17   4.478  -3.295 -11.475
  110   2HB   GLU  17          3HB       GLU  17   3.062  -4.157 -12.074
  111   1HG   GLU  17          2HG       GLU  17   2.214  -2.201 -13.190
  112   2HG   GLU  17          3HG       GLU  17   3.397  -1.139 -12.421
  113    H    ALA  18           H        ALA  18   4.721  -3.535  -9.101
  114    HA   ALA  18           HA       ALA  18   4.023  -6.116  -8.205
  115   1HB   ALA  18          1HB       ALA  18   5.918  -4.085  -6.948
  116   2HB   ALA  18          2HB       ALA  18   5.889  -5.828  -6.610
  117   3HB   ALA  18          3HB       ALA  18   6.326  -5.244  -8.231
  118    H    VAL  19           H        VAL  19   3.809  -2.952  -6.405
  119    HA   VAL  19           HA       VAL  19   2.735  -4.018  -4.040
  120    HB   VAL  19           HB       VAL  19   2.535  -1.312  -5.426
  121   1HG1  VAL  19          1HG1      VAL  19   1.429  -2.333  -2.820
  122   2HG1  VAL  19          2HG1      VAL  19   1.795  -0.595  -3.063
  123   3HG1  VAL  19          3HG1      VAL  19   0.595  -1.387  -4.096
  124   1HG2  VAL  19          1HG2      VAL  19   4.784  -2.193  -4.403
  125   2HG2  VAL  19          2HG2      VAL  19   4.206  -0.596  -3.910
  126   3HG2  VAL  19          3HG2      VAL  19   3.977  -1.980  -2.836
  127    H    SER  20           H        SER  20   1.117  -2.787  -6.979
  128    HA   SER  20           HA       SER  20  -1.530  -3.067  -6.073
  129   1HB   SER  20          2HB       SER  20  -0.594  -1.989  -8.255
  130   2HB   SER  20          3HB       SER  20  -0.608  -3.596  -8.960
  131    HG   SER  20           HG       SER  20  -2.541  -2.382  -9.362
  132    H    ARG  21           H        ARG  21   0.503  -5.361  -7.882
  133    HA   ARG  21           HA       ARG  21  -1.246  -7.557  -7.874
  134   1HB   ARG  21          2HB       ARG  21   0.457  -8.404  -8.948
  135   2HB   ARG  21          3HB       ARG  21   1.497  -7.089  -8.459
  136   1HG   ARG  21          2HG       ARG  21   2.263  -8.312  -6.492
  137   2HG   ARG  21          3HG       ARG  21   1.158  -9.653  -6.851
  138   1HD   ARG  21          2HD       ARG  21   2.293 -10.035  -9.000
  139   2HD   ARG  21          3HD       ARG  21   3.325  -8.609  -8.727
  140    HE   ARG  21           HE       ARG  21   3.649 -10.366  -6.531
  141   1HH1  ARG  21          2HH2      ARG  21   4.382 -10.199  -9.973
  142   2HH1  ARG  21          1HH2      ARG  21   5.812 -11.180  -9.899
  143   1HH2  ARG  21          2HH1      ARG  21   5.563 -11.682  -6.374
  144   2HH2  ARG  21          1HH1      ARG  21   6.489 -12.046  -7.791
  145    H    VAL  22           H        VAL  22   0.939  -6.522  -5.228
  146    HA   VAL  22           HA       VAL  22   0.443  -8.782  -3.549
  147    HB   VAL  22           HB       VAL  22   2.044  -6.377  -3.569
  148   1HG1  VAL  22          1HG1      VAL  22   2.118  -5.914  -1.117
  149   2HG1  VAL  22          2HG1      VAL  22   0.688  -5.299  -1.921
  150   3HG1  VAL  22          3HG1      VAL  22   0.603  -6.783  -0.924
  151   1HG2  VAL  22          1HG2      VAL  22   2.896  -8.627  -3.372
  152   2HG2  VAL  22          2HG2      VAL  22   3.430  -7.589  -2.038
  153   3HG2  VAL  22          3HG2      VAL  22   2.142  -8.785  -1.759
  154    H    LEU  23           H        LEU  23  -0.863  -5.502  -3.605
  155    HA   LEU  23           HA       LEU  23  -2.618  -5.915  -1.338
  156   1HB   LEU  23          2HB       LEU  23  -2.036  -3.754  -3.327
  157   2HB   LEU  23          3HB       LEU  23  -3.607  -3.671  -2.628
  158    HG   LEU  23           HG       LEU  23  -0.969  -3.861  -1.078
  159   1HD1  LEU  23          1HD1      LEU  23  -1.218  -1.757  -2.435
  160   2HD1  LEU  23          2HD1      LEU  23  -2.780  -1.471  -1.634
  161   3HD1  LEU  23          3HD1      LEU  23  -1.272  -1.453  -0.692
  162   1HD2  LEU  23          1HD2      LEU  23  -2.329  -3.159   0.836
  163   2HD2  LEU  23          2HD2      LEU  23  -3.771  -3.073  -0.223
  164   3HD2  LEU  23          3HD2      LEU  23  -3.037  -4.626   0.190
  165    H    ASN  24           H        ASN  24  -3.013  -6.172  -4.883
  166    HA   ASN  24           HA       ASN  24  -5.837  -6.538  -4.804
  167   1HB   ASN  24          2HB       ASN  24  -4.628  -6.121  -6.904
  168   2HB   ASN  24          3HB       ASN  24  -3.828  -7.696  -6.773
  169   1HD2  ASN  24          1HD2      ASN  24  -7.070  -7.976  -5.566
  170   2HD2  ASN  24          2HD2      ASN  24  -7.733  -8.580  -7.068
  171    H    LYS  25           H        LYS  25  -3.069  -8.823  -4.459
  172    HA   LYS  25           HA       LYS  25  -4.616 -11.119  -4.021
  173   1HB   LYS  25          2HB       LYS  25  -1.915 -10.564  -3.906
  174   2HB   LYS  25          3HB       LYS  25  -2.266 -10.928  -2.215
  175   1HG   LYS  25          2HG       LYS  25  -3.454 -13.013  -2.964
  176   2HG   LYS  25          3HG       LYS  25  -2.952 -12.652  -4.635
  177   1HD   LYS  25          2HD       LYS  25  -0.549 -12.663  -3.839
  178   2HD   LYS  25          3HD       LYS  25  -1.107 -13.251  -2.271
  179   1HE   LYS  25          2HE       LYS  25  -1.412 -14.628  -4.994
  180   2HE   LYS  25          3HE       LYS  25  -0.315 -15.110  -3.695
  181   1HZ   LYS  25          1HZ       LYS  25  -3.261 -15.183  -3.574
  182   2HZ   LYS  25          2HZ       LYS  25  -2.263 -16.475  -3.733
  183   3HZ   LYS  25          3HZ       LYS  25  -2.255 -15.603  -2.340
  184    H    LEU  26           H        LEU  26  -3.943  -8.487  -1.729
  185    HA   LEU  26           HA       LEU  26  -5.307  -9.632   0.543
  186   1HB   LEU  26          2HB       LEU  26  -3.869  -7.428   0.371
  187   2HB   LEU  26          3HB       LEU  26  -5.367  -6.683  -0.158
  188    HG   LEU  26           HG       LEU  26  -5.185  -6.141   2.032
  189   1HD1  LEU  26          1HD1      LEU  26  -7.110  -8.442   2.238
  190   2HD1  LEU  26          2HD1      LEU  26  -7.195  -6.790   2.906
  191   3HD1  LEU  26          3HD1      LEU  26  -7.427  -7.056   1.173
  192   1HD2  LEU  26          1HD2      LEU  26  -3.588  -7.690   2.868
  193   2HD2  LEU  26          2HD2      LEU  26  -5.023  -7.668   3.901
  194   3HD2  LEU  26          3HD2      LEU  26  -4.753  -9.039   2.793
  195    H    GLY  27           H        GLY  27  -6.366  -7.522  -2.154
  196   1HA   GLY  27          2HA       GLY  27  -8.260  -7.720  -3.465
  197   2HA   GLY  27          3HA       GLY  27  -8.842  -9.038  -2.443
  198    H    GLY  28           H        GLY  28  -9.195  -8.030  -0.023
  199   1HA   GLY  28          2HA       GLY  28 -11.521  -6.294  -0.275
  200   2HA   GLY  28          3HA       GLY  28 -10.806  -6.921   1.217
  201    H    VAL  29           H        VAL  29  -9.627  -4.793  -1.420
  202    HA   VAL  29           HA       VAL  29  -9.175  -2.519   0.391
  203    HB   VAL  29           HB       VAL  29  -6.841  -2.289  -0.395
  204   1HG1  VAL  29          1HG1      VAL  29  -7.251  -4.995   0.896
  205   2HG1  VAL  29          2HG1      VAL  29  -5.796  -4.018   0.984
  206   3HG1  VAL  29          3HG1      VAL  29  -7.287  -3.464   1.792
  207   1HG2  VAL  29          1HG2      VAL  29  -5.648  -4.067  -1.482
  208   2HG2  VAL  29          2HG2      VAL  29  -7.054  -5.158  -1.403
  209   3HG2  VAL  29          3HG2      VAL  29  -7.078  -3.757  -2.477
  210    H    LYS  30           H        LYS  30  -9.066  -0.518  -0.772
  211    HA   LYS  30           HA       LYS  30  -8.350  -0.641  -3.553
  212   1HB   LYS  30          2HB       LYS  30 -10.886   0.738  -2.623
  213   2HB   LYS  30          3HB       LYS  30  -9.935   1.389  -3.955
  214   1HG   LYS  30          2HG       LYS  30 -11.185  -1.385  -3.885
  215   2HG   LYS  30          3HG       LYS  30 -11.790   0.032  -4.714
  216   1HD   LYS  30          2HD       LYS  30 -10.765  -0.746  -6.531
  217   2HD   LYS  30          3HD       LYS  30  -9.349   0.050  -5.874
  218   1HE   LYS  30          2HE       LYS  30  -9.014  -2.257  -6.825
  219   2HE   LYS  30          3HE       LYS  30  -8.369  -2.049  -5.204
  220   1HZ   LYS  30          1HZ       LYS  30 -10.125  -3.221  -4.297
  221   2HZ   LYS  30          2HZ       LYS  30 -11.002  -3.269  -5.706
  222   3HZ   LYS  30          3HZ       LYS  30  -9.598  -4.123  -5.548
  223    H    TYR  31           H        TYR  31  -7.196   1.351  -4.110
  224    HA   TYR  31           HA       TYR  31  -6.310   2.890  -1.820
  225   1HB   TYR  31          2HB       TYR  31  -3.937   1.946  -2.149
  226   2HB   TYR  31          3HB       TYR  31  -5.092   0.941  -1.302
  227    HD1  TYR  31           HD1      TYR  31  -6.240  -1.008  -2.413
  228    HD2  TYR  31           HD2      TYR  31  -2.709   0.913  -3.916
  229    HE1  TYR  31           HE1      TYR  31  -5.978  -2.813  -4.094
  230    HE2  TYR  31           HE2      TYR  31  -2.267  -1.055  -5.347
  231    HH   TYR  31           HH       TYR  31  -4.532  -3.830  -5.571
  232    H    ASP  32           H        ASP  32  -4.993   4.586  -2.320
  233    HA   ASP  32           HA       ASP  32  -5.091   5.474  -5.148
  234   1HB   ASP  32          2HB       ASP  32  -6.044   7.008  -3.434
  235   2HB   ASP  32          3HB       ASP  32  -4.514   6.964  -2.552
  236    H    ILE  33           H        ILE  33  -3.226   5.263  -6.284
  237    HA   ILE  33           HA       ILE  33  -0.699   4.537  -4.896
  238    HB   ILE  33           HB       ILE  33  -1.872   3.911  -7.627
  239   1HG1  ILE  33          2HG1      ILE  33  -1.136   1.933  -5.446
  240   2HG1  ILE  33          3HG1      ILE  33  -2.742   2.691  -5.473
  241   1HG2  ILE  33          1HG2      ILE  33   0.777   3.085  -6.381
  242   2HG2  ILE  33          2HG2      ILE  33   0.083   2.388  -7.865
  243   3HG2  ILE  33          3HG2      ILE  33   0.548   4.089  -7.829
  244   1HD1  ILE  33          1HD1      ILE  33  -1.651   0.860  -7.615
  245   2HD1  ILE  33          2HD1      ILE  33  -3.159   0.734  -6.682
  246   3HD1  ILE  33          3HD1      ILE  33  -3.012   1.972  -7.901
  247    H    ASP  34           H        ASP  34   0.157   6.619  -4.646
  248    HA   ASP  34           HA       ASP  34   0.335   8.358  -7.068
  249   1HB   ASP  34          2HB       ASP  34  -0.262   9.400  -4.893
  250   2HB   ASP  34          3HB       ASP  34   1.347   8.951  -4.292
  251    H    LEU  35           H        LEU  35   1.903   7.759  -8.393
  252    HA   LEU  35           HA       LEU  35   4.218   6.222  -7.524
  253   1HB   LEU  35          2HB       LEU  35   3.070   7.157 -10.116
  254   2HB   LEU  35          3HB       LEU  35   4.829   7.004 -10.033
  255    HG   LEU  35           HG       LEU  35   2.806   4.804  -9.355
  256   1HD1  LEU  35          1HD1      LEU  35   4.444   5.210 -11.893
  257   2HD1  LEU  35          2HD1      LEU  35   3.374   3.836 -11.544
  258   3HD1  LEU  35          3HD1      LEU  35   2.689   5.460 -11.732
  259   1HD2  LEU  35          1HD2      LEU  35   4.838   4.233  -8.275
  260   2HD2  LEU  35          2HD2      LEU  35   4.887   3.314  -9.770
  261   3HD2  LEU  35          3HD2      LEU  35   5.847   4.794  -9.636
  262    HA   PRO  36           HA       PRO  36   6.563  10.427  -8.716
  263   1HB   PRO  36          2HB       PRO  36   4.130  12.097  -7.966
  264   2HB   PRO  36          3HB       PRO  36   5.550  12.594  -8.932
  265   1HG   PRO  36          2HG       PRO  36   3.289  11.799 -10.182
  266   2HG   PRO  36          3HG       PRO  36   4.863  11.158 -10.747
  267   1HD   PRO  36          2HD       PRO  36   2.790   9.802  -9.033
  268   2HD   PRO  36          3HD       PRO  36   3.815   9.160 -10.351
  269    H    ASN  37           H        ASN  37   3.986  10.439  -6.256
  270    HA   ASN  37           HA       ASN  37   5.817  11.551  -4.220
  271   1HB   ASN  37          2HB       ASN  37   3.114  11.956  -4.718
  272   2HB   ASN  37          3HB       ASN  37   3.062  10.860  -3.357
  273   1HD2  ASN  37          1HD2      ASN  37   4.627  13.818  -4.618
  274   2HD2  ASN  37          2HD2      ASN  37   4.746  14.651  -3.082
  275    H    LYS  38           H        LYS  38   5.111   8.440  -5.258
  276    HA   LYS  38           HA       LYS  38   5.647   6.423  -4.408
  277   1HB   LYS  38          2HB       LYS  38   7.425   8.008  -2.505
  278   2HB   LYS  38          3HB       LYS  38   7.727   6.412  -3.205
  279   1HG   LYS  38          2HG       LYS  38   7.648   7.533  -5.496
  280   2HG   LYS  38          3HG       LYS  38   7.668   9.074  -4.619
  281   1HD   LYS  38          2HD       LYS  38   9.870   8.565  -3.690
  282   2HD   LYS  38          3HD       LYS  38   9.830   6.952  -4.424
  283   1HE   LYS  38          2HE       LYS  38  11.163   8.500  -5.817
  284   2HE   LYS  38          3HE       LYS  38   9.756   7.872  -6.681
  285   1HZ   LYS  38          1HZ       LYS  38   8.614   9.978  -6.239
  286   2HZ   LYS  38          2HZ       LYS  38   9.925  10.543  -5.440
  287   3HZ   LYS  38          3HZ       LYS  38  10.018  10.210  -7.047
  288    H    LYS  39           H        LYS  39   3.243   6.645  -3.706
  289    HA   LYS  39           HA       LYS  39   3.026   6.122  -0.818
  290   1HB   LYS  39          2HB       LYS  39   2.197   8.621  -2.274
  291   2HB   LYS  39          3HB       LYS  39   1.054   8.015  -1.093
  292   1HG   LYS  39          2HG       LYS  39   2.745   8.137   0.673
  293   2HG   LYS  39          3HG       LYS  39   3.981   8.615  -0.509
  294   1HD   LYS  39          2HD       LYS  39   2.560  10.597  -1.095
  295   2HD   LYS  39          3HD       LYS  39   1.474  10.182   0.243
  296   1HE   LYS  39          2HE       LYS  39   3.295  10.484   1.867
  297   2HE   LYS  39          3HE       LYS  39   4.486  10.647   0.561
  298   1HZ   LYS  39          1HZ       LYS  39   3.889  12.778   1.435
  299   2HZ   LYS  39          2HZ       LYS  39   3.441  12.633  -0.143
  300   3HZ   LYS  39          3HZ       LYS  39   2.300  12.552   1.046
  301    H    VAL  40           H        VAL  40   1.178   5.115  -0.231
  302    HA   VAL  40           HA       VAL  40  -0.699   4.113  -2.282
  303    HB   VAL  40           HB       VAL  40   0.774   2.422  -0.209
  304   1HG1  VAL  40          1HG1      VAL  40  -0.984   1.736  -2.596
  305   2HG1  VAL  40          2HG1      VAL  40  -0.193   0.571  -1.509
  306   3HG1  VAL  40          3HG1      VAL  40  -1.471   1.634  -0.889
  307   1HG2  VAL  40          1HG2      VAL  40   2.394   3.141  -1.805
  308   2HG2  VAL  40          2HG2      VAL  40   1.954   1.470  -2.164
  309   3HG2  VAL  40          3HG2      VAL  40   1.286   2.786  -3.167
  310    H    CYS  41           H        CYS  41  -2.473   5.317  -1.354
  311    HA   CYS  41           HA       CYS  41  -2.776   5.084   1.612
  312   1HB   CYS  41          2HB       CYS  41  -4.052   7.020  -0.313
  313   2HB   CYS  41          3HB       CYS  41  -4.381   6.940   1.407
  314    HG   CYS  41           HG       CYS  41  -1.518   7.485  -0.117
  315    H    ILE  42           H        ILE  42  -4.098   3.578   2.362
  316    HA   ILE  42           HA       ILE  42  -5.765   2.312   0.297
  317    HB   ILE  42           HB       ILE  42  -4.786   1.062   2.896
  318   1HG1  ILE  42          2HG1      ILE  42  -3.388   1.090   0.203
  319   2HG1  ILE  42          3HG1      ILE  42  -2.835   1.778   1.743
  320   1HG2  ILE  42          1HG2      ILE  42  -6.572  -0.178   2.044
  321   2HG2  ILE  42          2HG2      ILE  42  -6.163   0.122   0.360
  322   3HG2  ILE  42          3HG2      ILE  42  -5.201  -1.008   1.276
  323   1HD1  ILE  42          1HD1      ILE  42  -1.597  -0.211   1.226
  324   2HD1  ILE  42          2HD1      ILE  42  -2.462  -0.361   2.737
  325   3HD1  ILE  42          3HD1      ILE  42  -3.067  -1.169   1.272
  326    H    GLU  43           H        GLU  43  -7.919   2.332   0.435
  327    HA   GLU  43           HA       GLU  43  -9.245   3.140   2.980
  328   1HB   GLU  43          2HB       GLU  43 -10.316   3.075   0.131
  329   2HB   GLU  43          3HB       GLU  43 -11.173   3.582   1.593
  330   1HG   GLU  43          2HG       GLU  43  -9.283   5.320   1.900
  331   2HG   GLU  43          3HG       GLU  43  -8.834   4.954   0.229
  332    H    SER  44           H        SER  44  -9.322   1.187   4.113
  333    HA   SER  44           HA       SER  44 -11.652  -0.260   3.394
  334   1HB   SER  44          2HB       SER  44 -10.047  -1.625   2.112
  335   2HB   SER  44          3HB       SER  44  -9.113  -1.941   3.592
  336    HG   SER  44           HG       SER  44 -10.701  -3.563   2.969
  337    H    GLU  45           H        GLU  45 -12.684  -0.767   5.301
  338    HA   GLU  45           HA       GLU  45 -11.720  -0.192   7.904
  339   1HB   GLU  45          2HB       GLU  45 -13.618  -1.559   8.648
  340   2HB   GLU  45          3HB       GLU  45 -14.068  -0.367   7.422
  341   1HG   GLU  45          2HG       GLU  45 -14.052  -2.155   5.678
  342   2HG   GLU  45          3HG       GLU  45 -13.591  -3.334   6.917
  343    H    HIS  46           H        HIS  46 -11.048  -2.786   5.819
  344    HA   HIS  46           HA       HIS  46 -10.539  -5.012   7.389
  345   1HB   HIS  46          2HB       HIS  46 -10.413  -4.721   4.892
  346   2HB   HIS  46          3HB       HIS  46  -8.783  -4.055   5.089
  347    HD1  HIS  46           1HD      HIS  46  -7.528  -6.280   6.982
  348    HD2  HIS  46           2HD      HIS  46 -10.008  -6.861   3.627
  349    HE1  HIS  46           1HE      HIS  46  -7.137  -8.665   6.160
  350    H    SER  47           H        SER  47  -8.978  -5.639   8.837
  351    HA   SER  47           HA       SER  47  -7.857  -3.753  10.402
  352   1HB   SER  47          2HB       SER  47  -8.135  -6.203  10.979
  353   2HB   SER  47          3HB       SER  47  -6.589  -6.485  10.134
  354    HG   SER  47           HG       SER  47  -6.258  -6.133  12.357
  355    H    MET  48           H        MET  48  -6.049  -2.623  10.636
  356    HA   MET  48           HA       MET  48  -4.494  -2.101   8.341
  357   1HB   MET  48          2HB       MET  48  -3.493  -0.355   9.443
  358   2HB   MET  48          3HB       MET  48  -5.119  -0.498  10.146
  359   1HG   MET  48          2HG       MET  48  -4.090  -1.863  11.974
  360   2HG   MET  48          3HG       MET  48  -2.489  -1.389  11.358
  361   1HE   MET  48          1HE       MET  48  -3.327  -0.922  14.367
  362   2HE   MET  48          2HE       MET  48  -1.751  -0.444  13.681
  363   3HE   MET  48          3HE       MET  48  -2.707   0.728  14.617
  364    H    ASP  49           H        ASP  49  -3.954  -4.154  11.114
  365    HA   ASP  49           HA       ASP  49  -1.259  -4.954  10.959
  366   1HB   ASP  49          2HB       ASP  49  -2.515  -6.028  12.633
  367   2HB   ASP  49          3HB       ASP  49  -3.923  -6.261  11.586
  368    H    THR  50           H        THR  50  -4.056  -6.320   9.203
  369    HA   THR  50           HA       THR  50  -2.442  -8.079   7.765
  370    HB   THR  50           HB       THR  50  -5.242  -7.293   6.940
  371    HG1  THR  50           1HG      THR  50  -4.373  -8.384   9.407
  372   1HG2  THR  50          1HG2      THR  50  -3.727  -9.935   7.253
  373   2HG2  THR  50          2HG2      THR  50  -5.437  -9.823   6.837
  374   3HG2  THR  50          3HG2      THR  50  -4.220  -9.158   5.726
  375    H    LEU  51           H        LEU  51  -3.817  -4.890   6.926
  376    HA   LEU  51           HA       LEU  51  -2.959  -4.688   4.209
  377   1HB   LEU  51          2HB       LEU  51  -3.379  -2.731   6.497
  378   2HB   LEU  51          3HB       LEU  51  -2.724  -2.201   4.977
  379    HG   LEU  51           HG       LEU  51  -5.318  -2.126   5.581
  380   1HD1  LEU  51          1HD1      LEU  51  -4.295  -1.120   3.667
  381   2HD1  LEU  51          2HD1      LEU  51  -4.020  -2.696   2.892
  382   3HD1  LEU  51          3HD1      LEU  51  -5.683  -2.086   3.117
  383   1HD2  LEU  51          1HD2      LEU  51  -6.614  -3.827   4.426
  384   2HD2  LEU  51          2HD2      LEU  51  -5.178  -4.797   4.111
  385   3HD2  LEU  51          3HD2      LEU  51  -5.744  -4.545   5.778
  386    H    LEU  52           H        LEU  52  -1.343  -3.488   7.188
  387    HA   LEU  52           HA       LEU  52   1.129  -2.759   6.314
  388   1HB   LEU  52          2HB       LEU  52   0.102  -3.910   8.808
  389   2HB   LEU  52          3HB       LEU  52   1.821  -4.135   8.525
  390    HG   LEU  52           HG       LEU  52   0.514  -1.431   8.181
  391   1HD1  LEU  52          1HD1      LEU  52   1.095  -0.919  10.481
  392   2HD1  LEU  52          2HD1      LEU  52  -0.159  -2.166  10.309
  393   3HD1  LEU  52          3HD1      LEU  52   1.507  -2.642  10.741
  394   1HD2  LEU  52          1HD2      LEU  52   2.839  -0.666   8.719
  395   2HD2  LEU  52          2HD2      LEU  52   3.336  -2.333   9.032
  396   3HD2  LEU  52          3HD2      LEU  52   2.935  -1.828   7.384
  397    H    ALA  53           H        ALA  53   0.448  -6.035   7.593
  398    HA   ALA  53           HA       ALA  53   2.975  -7.070   6.897
  399   1HB   ALA  53          1HB       ALA  53   1.958  -9.272   7.462
  400   2HB   ALA  53          2HB       ALA  53   1.483  -8.033   8.642
  401   3HB   ALA  53          3HB       ALA  53   0.336  -8.549   7.388
  402    H    THR  54           H        THR  54  -0.108  -7.038   4.986
  403    HA   THR  54           HA       THR  54   1.042  -8.722   2.973
  404    HB   THR  54           HB       THR  54  -1.394  -6.929   3.005
  405    HG1  THR  54           1HG      THR  54  -1.703  -8.537   4.362
  406   1HG2  THR  54          1HG2      THR  54  -0.953  -7.235   0.727
  407   2HG2  THR  54          2HG2      THR  54  -0.363  -8.899   0.937
  408   3HG2  THR  54          3HG2      THR  54  -2.084  -8.540   1.129
  409    H    LEU  55           H        LEU  55   0.882  -5.160   3.426
  410    HA   LEU  55           HA       LEU  55   1.806  -4.609   0.787
  411   1HB   LEU  55          2HB       LEU  55   0.914  -3.196   3.089
  412   2HB   LEU  55          3HB       LEU  55   2.535  -2.574   2.738
  413    HG   LEU  55           HG       LEU  55  -0.004  -2.500   1.138
  414   1HD1  LEU  55          1HD1      LEU  55   0.571  -0.021   1.227
  415   2HD1  LEU  55          2HD1      LEU  55   0.332  -0.760   2.826
  416   3HD1  LEU  55          3HD1      LEU  55   1.967  -0.420   2.221
  417   1HD2  LEU  55          1HD2      LEU  55   1.347  -1.259  -0.601
  418   2HD2  LEU  55          2HD2      LEU  55   2.815  -1.937   0.160
  419   3HD2  LEU  55          3HD2      LEU  55   1.582  -3.008  -0.562
  420    H    LYS  56           H        LYS  56   3.322  -5.065   3.937
  421    HA   LYS  56           HA       LYS  56   6.037  -4.753   3.421
  422   1HB   LYS  56          2HB       LYS  56   4.447  -6.574   5.237
  423   2HB   LYS  56          3HB       LYS  56   6.199  -6.641   5.186
  424   1HG   LYS  56          2HG       LYS  56   6.379  -4.345   5.876
  425   2HG   LYS  56          3HG       LYS  56   4.672  -4.040   5.659
  426   1HD   LYS  56          2HD       LYS  56   5.394  -4.232   8.049
  427   2HD   LYS  56          3HD       LYS  56   4.084  -5.297   7.595
  428   1HE   LYS  56          2HE       LYS  56   5.703  -6.452   9.042
  429   2HE   LYS  56          3HE       LYS  56   5.594  -7.232   7.463
  430   1HZ   LYS  56          1HZ       LYS  56   7.861  -6.996   8.186
  431   2HZ   LYS  56          2HZ       LYS  56   7.619  -6.096   6.833
  432   3HZ   LYS  56          3HZ       LYS  56   7.719  -5.363   8.306
  433    H    LYS  57           H        LYS  57   3.958  -7.456   2.321
  434    HA   LYS  57           HA       LYS  57   6.049  -9.332   1.866
  435   1HB   LYS  57          2HB       LYS  57   3.444  -8.978   0.356
  436   2HB   LYS  57          3HB       LYS  57   4.523 -10.356   0.175
  437   1HG   LYS  57          2HG       LYS  57   4.187 -11.123   2.403
  438   2HG   LYS  57          3HG       LYS  57   3.473  -9.592   2.890
  439   1HD   LYS  57          2HD       LYS  57   1.568 -10.035   1.294
  440   2HD   LYS  57          3HD       LYS  57   2.203 -11.660   1.052
  441   1HE   LYS  57          2HE       LYS  57   1.725 -12.358   3.244
  442   2HE   LYS  57          3HE       LYS  57   1.756 -10.730   3.916
  443   1HZ   LYS  57          1HZ       LYS  57  -0.414 -11.675   2.166
  444   2HZ   LYS  57          2HZ       LYS  57  -0.447 -11.718   3.805
  445   3HZ   LYS  57          3HZ       LYS  57  -0.398 -10.281   3.052
  446    H    THR  58           H        THR  58   5.295  -6.368   0.103
  447    HA   THR  58           HA       THR  58   6.747  -7.062  -2.320
  448    HB   THR  58           HB       THR  58   6.851  -4.689  -2.697
  449    HG1  THR  58           1HG      THR  58   5.603  -4.278  -0.168
  450   1HG2  THR  58          1HG2      THR  58   4.180  -5.417  -1.494
  451   2HG2  THR  58          2HG2      THR  58   4.503  -4.124  -2.652
  452   3HG2  THR  58          3HG2      THR  58   4.715  -5.818  -3.148
  453    H    GLY  59           H        GLY  59   7.603  -5.890   0.887
  454   1HA   GLY  59          2HA       GLY  59   9.474  -5.365   1.901
  455   2HA   GLY  59          3HA       GLY  59  10.367  -6.433   0.790
  456    H    LYS  60           H        LYS  60   8.510  -3.514  -0.151
  457    HA   LYS  60           HA       LYS  60  10.992  -2.112  -1.007
  458   1HB   LYS  60          2HB       LYS  60   8.231  -0.897  -0.787
  459   2HB   LYS  60          3HB       LYS  60   9.569  -0.381  -1.810
  460   1HG   LYS  60          2HG       LYS  60   7.874  -2.851  -2.132
  461   2HG   LYS  60          3HG       LYS  60   7.747  -1.424  -3.123
  462   1HD   LYS  60          2HD       LYS  60  10.461  -2.776  -3.037
  463   2HD   LYS  60          3HD       LYS  60   9.152  -3.674  -3.786
  464   1HE   LYS  60          2HE       LYS  60  10.412  -2.327  -5.431
  465   2HE   LYS  60          3HE       LYS  60   8.696  -1.914  -5.370
  466   1HZ   LYS  60          1HZ       LYS  60  10.063  -0.005  -5.514
  467   2HZ   LYS  60          2HZ       LYS  60   9.275   0.084  -4.104
  468   3HZ   LYS  60          3HZ       LYS  60  10.857  -0.307  -4.090
  469    H    THR  61           H        THR  61  11.298   0.171  -0.122
  470    HA   THR  61           HA       THR  61  11.129   0.346   2.722
  471    HB   THR  61           HB       THR  61  11.352   2.635   0.857
  472    HG1  THR  61           1HG      THR  61  13.546   2.111   0.634
  473   1HG2  THR  61          1HG2      THR  61  12.908   3.510   2.572
  474   2HG2  THR  61          2HG2      THR  61  11.333   3.128   3.290
  475   3HG2  THR  61          3HG2      THR  61  12.707   2.021   3.517
  476    H    VAL  62           H        VAL  62   8.910  -0.339   2.874
  477    HA   VAL  62           HA       VAL  62   6.806   1.670   2.422
  478    HB   VAL  62           HB       VAL  62   6.165  -0.616   2.143
  479   1HG1  VAL  62          1HG1      VAL  62   6.866  -1.049   5.078
  480   2HG1  VAL  62          2HG1      VAL  62   6.004  -2.188   4.028
  481   3HG1  VAL  62          3HG1      VAL  62   7.695  -1.789   3.687
  482   1HG2  VAL  62          1HG2      VAL  62   4.519   1.053   3.138
  483   2HG2  VAL  62          2HG2      VAL  62   4.165  -0.652   3.466
  484   3HG2  VAL  62          3HG2      VAL  62   4.882   0.361   4.727
  485    H    SER  63           H        SER  63   5.817   2.901   4.059
  486    HA   SER  63           HA       SER  63   6.629   2.500   6.850
  487   1HB   SER  63          2HB       SER  63   6.990   5.178   5.431
  488   2HB   SER  63          3HB       SER  63   7.150   4.898   7.176
  489    HG   SER  63           HG       SER  63   8.655   3.096   5.881
  490    H    TYR  64           H        TYR  64   4.975   2.985   8.202
  491    HA   TYR  64           HA       TYR  64   2.321   3.228   7.024
  492   1HB   TYR  64          2HB       TYR  64   2.704   1.568   8.690
  493   2HB   TYR  64          3HB       TYR  64   3.457   2.717   9.789
  494    HD1  TYR  64           HD1      TYR  64   0.213   1.534   8.419
  495    HD2  TYR  64           HD2      TYR  64   2.168   4.186  11.204
  496    HE1  TYR  64           HE1      TYR  64  -1.948   1.931   9.568
  497    HE2  TYR  64           HE2      TYR  64  -0.004   4.625  12.306
  498    HH   TYR  64           HH       TYR  64  -2.564   4.548  11.228
  499    H    LEU  65           H        LEU  65   1.151   5.067   6.912
  500    HA   LEU  65           HA       LEU  65   1.737   7.380   8.658
  501   1HB   LEU  65          2HB       LEU  65   0.951   7.230   5.797
  502   2HB   LEU  65          3HB       LEU  65   0.541   8.637   6.827
  503    HG   LEU  65           HG       LEU  65   3.209   8.314   7.389
  504   1HD1  LEU  65          1HD1      LEU  65   2.910   7.425   4.511
  505   2HD1  LEU  65          2HD1      LEU  65   4.428   7.747   5.392
  506   3HD1  LEU  65          3HD1      LEU  65   3.414   6.378   5.859
  507   1HD2  LEU  65          1HD2      LEU  65   1.995   9.678   4.965
  508   2HD2  LEU  65          2HD2      LEU  65   2.128  10.360   6.608
  509   3HD2  LEU  65          3HD2      LEU  65   3.600  10.041   5.654
  510    H    GLY  66           H        GLY  66  -1.018   8.533   8.322
  511   1HA   GLY  66          2HA       GLY  66  -1.271   7.360  10.982
  512   2HA   GLY  66          3HA       GLY  66  -2.011   8.828  10.357
  513    H    LEU  67           H        LEU  67  -4.187   8.774   9.907
  514    HA   LEU  67           HA       LEU  67  -5.546   6.385   9.160
  515   1HB   LEU  67          2HB       LEU  67  -5.498   6.119  11.640
  516   2HB   LEU  67          3HB       LEU  67  -6.126   7.758  11.829
  517    HG   LEU  67           HG       LEU  67  -8.215   7.067  10.601
  518   1HD1  LEU  67          1HD1      LEU  67  -7.193   4.959   9.529
  519   2HD1  LEU  67          2HD1      LEU  67  -7.259   4.252  11.152
  520   3HD1  LEU  67          3HD1      LEU  67  -8.750   4.746  10.315
  521   1HD2  LEU  67          1HD2      LEU  67  -9.258   5.848  12.415
  522   2HD2  LEU  67          2HD2      LEU  67  -7.666   5.538  13.151
  523   3HD2  LEU  67          3HD2      LEU  67  -8.277   7.205  13.014
  524    H    GLU  68           H        GLU  68  -7.542   6.991   8.139
  525    HA   GLU  68           HA       GLU  68  -8.934   9.185   9.203
  526   1HB   GLU  68          2HB       GLU  68  -7.566  10.229   7.183
  527   2HB   GLU  68          3HB       GLU  68  -8.739   9.360   6.191
  528   1HG   GLU  68          2HG       GLU  68 -10.548  10.565   7.639
  529   2HG   GLU  68          3HG       GLU  68  -9.218  11.554   8.250
  Start of MODEL   28
    1   1H    MET   1           H1       MET   1 -15.915   2.684   7.179
    2   2H    MET   1           H2       MET   1 -16.071   1.158   6.528
    3   3H    MET   1           H3       MET   1 -14.892   1.460   7.588
    4    HA   MET   1           HA       MET   1 -14.123   1.300   5.344
    5   1HB   MET   1          2HB       MET   1 -14.654   3.229   3.811
    6   2HB   MET   1          3HB       MET   1 -15.955   2.083   4.121
    7   1HG   MET   1          2HG       MET   1 -17.047   3.649   5.650
    8   2HG   MET   1          3HG       MET   1 -15.709   4.800   5.481
    9   1HE   MET   1          1HE       MET   1 -18.652   6.636   3.755
   10   2HE   MET   1          2HE       MET   1 -18.735   5.584   5.187
   11   3HE   MET   1          3HE       MET   1 -17.379   6.725   4.995
   12    HA   PRO   2           HA       PRO   2 -11.582   4.323   7.829
   13   1HB   PRO   2          2HB       PRO   2  -9.669   2.722   8.813
   14   2HB   PRO   2          3HB       PRO   2 -11.305   2.742   9.548
   15   1HG   PRO   2          2HG       PRO   2 -10.198   0.789   7.510
   16   2HG   PRO   2          3HG       PRO   2 -11.047   0.387   9.026
   17   1HD   PRO   2          2HD       PRO   2 -12.254   0.511   6.549
   18   2HD   PRO   2          3HD       PRO   2 -13.107   0.923   8.076
   19    H    LYS   3           H        LYS   3  -9.639   5.273   7.186
   20    HA   LYS   3           HA       LYS   3  -8.367   4.145   4.745
   21   1HB   LYS   3          2HB       LYS   3  -7.404   6.431   4.448
   22   2HB   LYS   3          3HB       LYS   3  -9.134   6.260   4.123
   23   1HG   LYS   3          2HG       LYS   3  -9.776   7.297   6.145
   24   2HG   LYS   3          3HG       LYS   3  -8.172   7.126   6.846
   25   1HD   LYS   3          2HD       LYS   3  -8.764   8.935   4.459
   26   2HD   LYS   3          3HD       LYS   3  -8.802   9.454   6.149
   27   1HE   LYS   3          2HE       LYS   3  -6.365   8.398   6.269
   28   2HE   LYS   3          3HE       LYS   3  -6.400   8.557   4.510
   29   1HZ   LYS   3          1HZ       LYS   3  -6.814  10.740   6.459
   30   2HZ   LYS   3          2HZ       LYS   3  -5.406  10.415   5.652
   31   3HZ   LYS   3          3HZ       LYS   3  -6.739  10.923   4.828
   32    H    HIS   4           H        HIS   4  -6.182   3.925   4.690
   33    HA   HIS   4           HA       HIS   4  -4.575   4.192   7.180
   34   1HB   HIS   4          2HB       HIS   4  -4.763   1.724   5.403
   35   2HB   HIS   4          3HB       HIS   4  -3.752   1.919   6.848
   36    HD1  HIS   4           1HD      HIS   4  -6.815   0.255   5.911
   37    HD2  HIS   4           2HD      HIS   4  -5.516   2.611   9.140
   38    HE1  HIS   4           1HE      HIS   4  -8.288  -0.352   7.895
   39    H    GLU   5           H        GLU   5  -3.065   5.672   6.450
   40    HA   GLU   5           HA       GLU   5  -2.328   5.597   3.592
   41   1HB   GLU   5          2HB       GLU   5  -1.757   7.690   5.691
   42   2HB   GLU   5          3HB       GLU   5  -1.394   7.802   3.966
   43   1HG   GLU   5          2HG       GLU   5  -3.912   7.377   3.582
   44   2HG   GLU   5          3HG       GLU   5  -4.121   7.575   5.324
   45    H    PHE   6           H        PHE   6  -0.278   5.253   2.751
   46    HA   PHE   6           HA       PHE   6   1.934   4.689   4.639
   47   1HB   PHE   6          2HB       PHE   6   1.089   2.884   2.347
   48   2HB   PHE   6          3HB       PHE   6   2.527   2.681   3.342
   49    HD1  PHE   6           1HD      PHE   6  -1.218   2.609   3.408
   50    HD2  PHE   6           2HD      PHE   6   2.427   1.463   5.423
   51    HE1  PHE   6           1HE      PHE   6  -2.505   1.183   4.946
   52    HE2  PHE   6           2HE      PHE   6   1.147  -0.023   6.884
   53    HZ   PHE   6           HZ       PHE   6  -1.344  -0.153   6.692
   54    H    SER   7           H        SER   7   3.940   5.126   3.822
   55    HA   SER   7           HA       SER   7   4.082   6.113   1.007
   56   1HB   SER   7          2HB       SER   7   4.740   7.847   2.523
   57   2HB   SER   7          3HB       SER   7   5.964   6.808   3.255
   58    HG   SER   7           HG       SER   7   5.892   7.377   0.438
   59    H    VAL   8           H        VAL   8   6.027   5.286  -0.129
   60    HA   VAL   8           HA       VAL   8   6.886   2.568   0.605
   61    HB   VAL   8           HB       VAL   8   4.887   3.251  -1.612
   62   1HG1  VAL   8          1HG1      VAL   8   6.350   1.737  -2.662
   63   2HG1  VAL   8          2HG1      VAL   8   6.425   0.666  -1.229
   64   3HG1  VAL   8          3HG1      VAL   8   4.936   0.840  -2.188
   65   1HG2  VAL   8          1HG2      VAL   8   3.741   2.789   0.488
   66   2HG2  VAL   8          2HG2      VAL   8   3.612   1.328  -0.483
   67   3HG2  VAL   8          3HG2      VAL   8   4.806   1.398   0.808
   68    H    ASP   9           H        ASP   9   8.230   1.830  -1.559
   69    HA   ASP   9           HA       ASP   9   9.118   4.292  -2.978
   70   1HB   ASP   9          2HB       ASP   9  11.172   3.391  -2.177
   71   2HB   ASP   9          3HB       ASP   9  10.756   1.774  -2.789
   72    H    MET  10           H        MET  10   8.160   4.407  -4.898
   73    HA   MET  10           HA       MET  10   8.210   1.976  -6.530
   74   1HB   MET  10          2HB       MET  10   6.077   4.120  -6.898
   75   2HB   MET  10          3HB       MET  10   6.217   2.571  -7.744
   76   1HG   MET  10          2HG       MET  10   4.471   2.295  -6.241
   77   2HG   MET  10          3HG       MET  10   5.799   1.536  -5.362
   78   1HE   MET  10          1HE       MET  10   3.458   1.972  -3.696
   79   2HE   MET  10          2HE       MET  10   3.084   3.620  -3.148
   80   3HE   MET  10          3HE       MET  10   2.734   3.157  -4.822
   81    H    THR  11           H        THR  11  10.456   2.982  -6.746
   82    HA   THR  11           HA       THR  11  10.515   5.521  -8.051
   83    HB   THR  11           HB       THR  11  12.351   4.147  -6.664
   84    HG1  THR  11           1HG      THR  11  12.993   6.070  -8.609
   85   1HG2  THR  11          1HG2      THR  11  13.421   3.914  -9.493
   86   2HG2  THR  11          2HG2      THR  11  14.241   3.536  -7.971
   87   3HG2  THR  11          3HG2      THR  11  12.859   2.555  -8.492
   88    H    CYS  12           HN       CYS  12   9.615   2.564  -9.463
   89    HA   CYS  12           HA       CYS  12   9.464   3.967 -11.974
   90   1HB   CYS  12          2HB       CYS  12  10.315   1.973 -13.264
   91   2HB   CYS  12          3HB       CYS  12  11.540   2.954 -12.465
   92    H    GLY  13           H        GLY  13   7.928   3.042 -13.341
   93   1HA   GLY  13          2HA       GLY  13   5.464   2.725 -12.425
   94   2HA   GLY  13          3HA       GLY  13   5.990   1.943 -13.908
   95    H    GLY  14           H        GLY  14   7.548  -0.099 -13.148
   96   1HA   GLY  14          2HA       GLY  14   5.640  -2.061 -12.710
   97   2HA   GLY  14          3HA       GLY  14   7.402  -2.308 -12.580
   98    H    CYS  15           HN       CYS  15   7.553  -0.324 -10.243
   99    HA   CYS  15           HA       CYS  15   7.107  -2.237  -8.131
  100   1HB   CYS  15          2HB       CYS  15   7.537   0.740  -8.141
  101   2HB   CYS  15          3HB       CYS  15   7.523  -0.276  -6.678
  102    H    ALA  16           H        ALA  16   5.146   0.426  -9.533
  103    HA   ALA  16           HA       ALA  16   3.174   0.416  -7.405
  104   1HB   ALA  16          1HB       ALA  16   2.913   1.334 -10.298
  105   2HB   ALA  16          2HB       ALA  16   1.799   1.680  -8.964
  106   3HB   ALA  16          3HB       ALA  16   3.456   2.316  -8.914
  107    H    GLU  17           H        GLU  17   3.525  -1.217 -10.596
  108    HA   GLU  17           HA       GLU  17   1.144  -2.703 -10.536
  109   1HB   GLU  17          2HB       GLU  17   2.979  -2.579 -12.403
  110   2HB   GLU  17          3HB       GLU  17   3.758  -3.902 -11.521
  111   1HG   GLU  17          2HG       GLU  17   1.348  -5.002 -11.602
  112   2HG   GLU  17          3HG       GLU  17   1.069  -3.799 -12.870
  113    H    ALA  18           H        ALA  18   4.382  -3.527  -9.177
  114    HA   ALA  18           HA       ALA  18   3.696  -6.034  -8.053
  115   1HB   ALA  18          1HB       ALA  18   5.710  -4.011  -6.990
  116   2HB   ALA  18          2HB       ALA  18   5.666  -5.746  -6.646
  117   3HB   ALA  18          3HB       ALA  18   6.027  -5.180  -8.293
  118    H    VAL  19           H        VAL  19   3.660  -2.783  -6.450
  119    HA   VAL  19           HA       VAL  19   2.726  -3.606  -3.959
  120    HB   VAL  19           HB       VAL  19   2.275  -1.094  -5.637
  121   1HG1  VAL  19          1HG1      VAL  19   0.459  -1.163  -4.084
  122   2HG1  VAL  19          2HG1      VAL  19   1.539  -1.764  -2.793
  123   3HG1  VAL  19          3HG1      VAL  19   1.682  -0.080  -3.406
  124   1HG2  VAL  19          1HG2      VAL  19   4.658  -1.796  -4.683
  125   2HG2  VAL  19          2HG2      VAL  19   4.067  -0.138  -4.510
  126   3HG2  VAL  19          3HG2      VAL  19   3.961  -1.256  -3.149
  127    H    SER  20           H        SER  20   0.923  -2.641  -6.886
  128    HA   SER  20           HA       SER  20  -1.643  -2.874  -5.768
  129   1HB   SER  20          2HB       SER  20  -0.899  -1.813  -7.969
  130   2HB   SER  20          3HB       SER  20  -0.849  -3.407  -8.690
  131    HG   SER  20           HG       SER  20  -3.200  -2.551  -7.373
  132    H    ARG  21           H        ARG  21   0.189  -5.200  -7.694
  133    HA   ARG  21           HA       ARG  21  -1.545  -7.394  -7.569
  134   1HB   ARG  21          2HB       ARG  21   0.052  -8.245  -8.775
  135   2HB   ARG  21          3HB       ARG  21   1.075  -6.870  -8.492
  136   1HG   ARG  21          2HG       ARG  21   2.129  -7.976  -6.551
  137   2HG   ARG  21          3HG       ARG  21   1.108  -9.366  -6.771
  138   1HD   ARG  21          2HD       ARG  21   3.537  -8.449  -8.261
  139   2HD   ARG  21          3HD       ARG  21   3.009 -10.068  -7.892
  140    HE   ARG  21           HE       ARG  21   1.667 -10.155  -9.827
  141   1HH1  ARG  21          2HH2      ARG  21   3.373  -6.984  -9.673
  142   2HH1  ARG  21          1HH2      ARG  21   3.098  -6.727 -11.394
  143   1HH2  ARG  21          2HH1      ARG  21   1.384  -9.581 -12.139
  144   2HH2  ARG  21          1HH1      ARG  21   2.064  -8.024 -12.630
  145    H    VAL  22           H        VAL  22   0.853  -6.313  -5.169
  146    HA   VAL  22           HA       VAL  22   0.715  -8.579  -3.447
  147    HB   VAL  22           HB       VAL  22   1.961  -5.899  -3.614
  148   1HG1  VAL  22          1HG1      VAL  22   1.171  -6.848  -0.885
  149   2HG1  VAL  22          2HG1      VAL  22   2.560  -5.784  -1.213
  150   3HG1  VAL  22          3HG1      VAL  22   0.939  -5.270  -1.691
  151   1HG2  VAL  22          1HG2      VAL  22   3.129  -7.891  -4.133
  152   2HG2  VAL  22          2HG2      VAL  22   3.868  -6.974  -2.806
  153   3HG2  VAL  22          3HG2      VAL  22   2.939  -8.471  -2.461
  154    H    LEU  23           H        LEU  23  -0.815  -5.361  -3.390
  155    HA   LEU  23           HA       LEU  23  -2.296  -5.866  -1.004
  156   1HB   LEU  23          2HB       LEU  23  -2.043  -3.713  -2.961
  157   2HB   LEU  23          3HB       LEU  23  -3.671  -3.823  -2.408
  158    HG   LEU  23           HG       LEU  23  -1.213  -3.828  -0.585
  159   1HD1  LEU  23          1HD1      LEU  23  -1.620  -1.437  -0.273
  160   2HD1  LEU  23          2HD1      LEU  23  -1.323  -1.762  -1.981
  161   3HD1  LEU  23          3HD1      LEU  23  -2.983  -1.486  -1.409
  162   1HD2  LEU  23          1HD2      LEU  23  -3.489  -4.686   0.349
  163   2HD2  LEU  23          2HD2      LEU  23  -2.804  -3.279   1.174
  164   3HD2  LEU  23          3HD2      LEU  23  -4.092  -3.068  -0.036
  165    H    ASN  24           H        ASN  24  -3.083  -6.171  -4.524
  166    HA   ASN  24           HA       ASN  24  -5.794  -6.926  -4.178
  167   1HB   ASN  24          2HB       ASN  24  -5.000  -6.342  -6.377
  168   2HB   ASN  24          3HB       ASN  24  -3.799  -7.645  -6.345
  169   1HD2  ASN  24          1HD2      ASN  24  -7.316  -7.840  -5.271
  170   2HD2  ASN  24          2HD2      ASN  24  -7.604  -9.135  -6.403
  171    H    LYS  25           H        LYS  25  -2.793  -8.894  -4.057
  172    HA   LYS  25           HA       LYS  25  -4.020 -11.368  -3.651
  173   1HB   LYS  25          2HB       LYS  25  -1.389 -10.313  -3.390
  174   2HB   LYS  25          3HB       LYS  25  -1.730 -11.140  -1.875
  175   1HG   LYS  25          2HG       LYS  25  -2.474 -13.153  -3.156
  176   2HG   LYS  25          3HG       LYS  25  -2.103 -12.306  -4.673
  177   1HD   LYS  25          2HD       LYS  25   0.279 -12.144  -4.009
  178   2HD   LYS  25          3HD       LYS  25  -0.087 -12.997  -2.490
  179   1HE   LYS  25          2HE       LYS  25  -0.901 -14.970  -3.803
  180   2HE   LYS  25          3HE       LYS  25  -0.520 -14.123  -5.310
  181   1HZ   LYS  25          1HZ       LYS  25   1.188 -15.664  -4.707
  182   2HZ   LYS  25          2HZ       LYS  25   1.795 -14.140  -4.657
  183   3HZ   LYS  25          3HZ       LYS  25   1.436 -14.935  -3.259
  184    H    LEU  26           H        LEU  26  -3.909  -8.714  -1.329
  185    HA   LEU  26           HA       LEU  26  -4.977 -10.274   0.910
  186   1HB   LEU  26          2HB       LEU  26  -3.874  -8.311   1.445
  187   2HB   LEU  26          3HB       LEU  26  -4.742  -7.311   0.310
  188    HG   LEU  26           HG       LEU  26  -5.329  -6.613   2.331
  189   1HD1  LEU  26          1HD1      LEU  26  -7.253  -6.834   0.679
  190   2HD1  LEU  26          2HD1      LEU  26  -7.809  -8.229   1.632
  191   3HD1  LEU  26          3HD1      LEU  26  -7.677  -6.652   2.391
  192   1HD2  LEU  26          1HD2      LEU  26  -6.200  -9.452   3.030
  193   2HD2  LEU  26          2HD2      LEU  26  -4.765  -8.604   3.659
  194   3HD2  LEU  26          3HD2      LEU  26  -6.401  -7.998   4.043
  195    H    GLY  27           H        GLY  27  -6.340  -8.106  -1.618
  196   1HA   GLY  27          2HA       GLY  27  -8.097  -9.709  -2.732
  197   2HA   GLY  27          3HA       GLY  27  -9.024  -9.367  -1.281
  198    H    GLY  28           H        GLY  28  -9.923  -7.379  -0.934
  199   1HA   GLY  28          2HA       GLY  28 -10.648  -6.058  -3.471
  200   2HA   GLY  28          3HA       GLY  28 -11.598  -6.182  -1.991
  201    H    VAL  29           H        VAL  29  -8.837  -5.257  -0.715
  202    HA   VAL  29           HA       VAL  29  -9.034  -2.692   0.044
  203    HB   VAL  29           HB       VAL  29  -6.469  -2.617  -0.409
  204   1HG1  VAL  29          1HG1      VAL  29  -6.966  -3.210   1.773
  205   2HG1  VAL  29          2HG1      VAL  29  -7.875  -4.659   1.309
  206   3HG1  VAL  29          3HG1      VAL  29  -6.104  -4.644   1.241
  207   1HG2  VAL  29          1HG2      VAL  29  -6.902  -5.548  -1.161
  208   2HG2  VAL  29          2HG2      VAL  29  -6.496  -4.283  -2.324
  209   3HG2  VAL  29          3HG2      VAL  29  -5.386  -4.673  -1.017
  210    H    LYS  30           H        LYS  30  -9.027  -0.588  -0.828
  211    HA   LYS  30           HA       LYS  30  -8.292  -0.288  -3.708
  212   1HB   LYS  30          2HB       LYS  30 -10.690   0.823  -2.214
  213   2HB   LYS  30          3HB       LYS  30 -10.022   1.647  -3.625
  214   1HG   LYS  30          2HG       LYS  30 -10.947  -1.253  -3.628
  215   2HG   LYS  30          3HG       LYS  30 -11.933   0.118  -4.124
  216   1HD   LYS  30          2HD       LYS  30 -11.120  -0.012  -6.190
  217   2HD   LYS  30          3HD       LYS  30  -9.513   0.438  -5.603
  218   1HE   LYS  30          2HE       LYS  30  -8.915  -1.914  -5.266
  219   2HE   LYS  30          3HE       LYS  30 -10.566  -2.440  -5.629
  220   1HZ   LYS  30          1HZ       LYS  30 -10.241  -1.638  -7.868
  221   2HZ   LYS  30          2HZ       LYS  30  -8.708  -1.143  -7.512
  222   3HZ   LYS  30          3HZ       LYS  30  -9.090  -2.741  -7.466
  223    H    TYR  31           H        TYR  31  -7.069   1.562  -4.152
  224    HA   TYR  31           HA       TYR  31  -6.205   3.133  -1.880
  225   1HB   TYR  31          2HB       TYR  31  -3.812   2.242  -2.240
  226   2HB   TYR  31          3HB       TYR  31  -4.944   1.267  -1.319
  227    HD1  TYR  31           HD1      TYR  31  -5.963  -0.808  -2.171
  228    HD2  TYR  31           HD2      TYR  31  -2.730   1.211  -4.132
  229    HE1  TYR  31           HE1      TYR  31  -5.757  -2.695  -3.763
  230    HE2  TYR  31           HE2      TYR  31  -2.473  -0.701  -5.689
  231    HH   TYR  31           HH       TYR  31  -4.551  -3.592  -5.526
  232    H    ASP  32           H        ASP  32  -5.095   4.895  -2.332
  233    HA   ASP  32           HA       ASP  32  -5.046   5.829  -5.146
  234   1HB   ASP  32          2HB       ASP  32  -6.089   7.335  -3.524
  235   2HB   ASP  32          3HB       ASP  32  -4.695   7.178  -2.453
  236    H    ILE  33           H        ILE  33  -3.146   5.785  -6.223
  237    HA   ILE  33           HA       ILE  33  -0.708   4.794  -4.826
  238    HB   ILE  33           HB       ILE  33  -1.927   4.364  -7.583
  239   1HG1  ILE  33          2HG1      ILE  33  -1.286   2.216  -5.554
  240   2HG1  ILE  33          3HG1      ILE  33  -2.810   3.116  -5.443
  241   1HG2  ILE  33          1HG2      ILE  33   0.704   3.336  -6.459
  242   2HG2  ILE  33          2HG2      ILE  33  -0.074   2.741  -7.946
  243   3HG2  ILE  33          3HG2      ILE  33   0.476   4.417  -7.855
  244   1HD1  ILE  33          1HD1      ILE  33  -1.978   1.334  -7.737
  245   2HD1  ILE  33          2HD1      ILE  33  -3.430   1.246  -6.716
  246   3HD1  ILE  33          3HD1      ILE  33  -3.279   2.545  -7.878
  247    H    ASP  34           H        ASP  34   0.942   6.297  -4.860
  248    HA   ASP  34           HA       ASP  34   1.053   8.160  -7.237
  249   1HB   ASP  34          2HB       ASP  34   0.632   9.258  -4.969
  250   2HB   ASP  34          3HB       ASP  34   2.325   8.792  -4.599
  251    H    LEU  35           H        LEU  35   2.770   7.999  -8.444
  252    HA   LEU  35           HA       LEU  35   5.003   6.188  -7.807
  253   1HB   LEU  35          2HB       LEU  35   4.034   7.589 -10.300
  254   2HB   LEU  35          3HB       LEU  35   5.728   7.130 -10.169
  255    HG   LEU  35           HG       LEU  35   4.205   5.562 -11.414
  256   1HD1  LEU  35          1HD1      LEU  35   6.336   4.703 -10.740
  257   2HD1  LEU  35          2HD1      LEU  35   5.785   4.459  -9.081
  258   3HD1  LEU  35          3HD1      LEU  35   5.136   3.450 -10.374
  259   1HD2  LEU  35          1HD2      LEU  35   2.733   4.075 -10.271
  260   2HD2  LEU  35          2HD2      LEU  35   3.173   4.739  -8.680
  261   3HD2  LEU  35          3HD2      LEU  35   2.263   5.728  -9.850
  262    HA   PRO  36           HA       PRO  36   7.636  10.095  -8.364
  263   1HB   PRO  36          2HB       PRO  36   6.439  12.613  -8.266
  264   2HB   PRO  36          3HB       PRO  36   6.883  11.722  -9.748
  265   1HG   PRO  36          2HG       PRO  36   4.192  11.804  -8.370
  266   2HG   PRO  36          3HG       PRO  36   4.538  12.014 -10.111
  267   1HD   PRO  36          2HD       PRO  36   3.700   9.652  -9.205
  268   2HD   PRO  36          3HD       PRO  36   5.061   9.695 -10.361
  269    H    ASN  37           H        ASN  37   4.768  10.330  -6.272
  270    HA   ASN  37           HA       ASN  37   6.487  11.375  -4.032
  271   1HB   ASN  37          2HB       ASN  37   3.472  11.054  -4.070
  272   2HB   ASN  37          3HB       ASN  37   4.450  11.760  -2.806
  273   1HD2  ASN  37          1HD2      ASN  37   2.676  12.532  -5.636
  274   2HD2  ASN  37          2HD2      ASN  37   3.314  14.164  -5.827
  275    H    LYS  38           H        LYS  38   5.974   8.452  -5.311
  276    HA   LYS  38           HA       LYS  38   5.684   6.343  -4.604
  277   1HB   LYS  38          2HB       LYS  38   7.839   7.289  -2.678
  278   2HB   LYS  38          3HB       LYS  38   7.405   5.645  -3.166
  279   1HG   LYS  38          2HG       LYS  38   9.197   5.938  -4.428
  280   2HG   LYS  38          3HG       LYS  38   7.920   6.360  -5.589
  281   1HD   LYS  38          2HD       LYS  38   8.481   8.733  -5.238
  282   2HD   LYS  38          3HD       LYS  38   9.663   8.317  -3.992
  283   1HE   LYS  38          2HE       LYS  38   9.746   7.393  -6.911
  284   2HE   LYS  38          3HE       LYS  38  10.678   8.748  -6.273
  285   1HZ   LYS  38          1HZ       LYS  38  11.034   5.946  -5.302
  286   2HZ   LYS  38          2HZ       LYS  38  11.962   6.655  -6.431
  287   3HZ   LYS  38          3HZ       LYS  38  11.914   7.249  -4.898
  288    H    LYS  39           H        LYS  39   3.349   6.577  -3.696
  289    HA   LYS  39           HA       LYS  39   3.377   5.692  -0.934
  290   1HB   LYS  39          2HB       LYS  39   2.010   7.476  -0.209
  291   2HB   LYS  39          3HB       LYS  39   3.429   8.243  -0.884
  292   1HG   LYS  39          2HG       LYS  39   2.140   9.379  -2.365
  293   2HG   LYS  39          3HG       LYS  39   1.402   7.876  -2.935
  294   1HD   LYS  39          2HD       LYS  39  -0.108   7.919  -0.902
  295   2HD   LYS  39          3HD       LYS  39   0.470   9.575  -0.601
  296   1HE   LYS  39          2HE       LYS  39  -0.337  10.175  -2.948
  297   2HE   LYS  39          3HE       LYS  39  -0.944   8.516  -3.110
  298   1HZ   LYS  39          1HZ       LYS  39  -2.319   8.991  -1.113
  299   2HZ   LYS  39          2HZ       LYS  39  -1.934  10.580  -1.274
  300   3HZ   LYS  39          3HZ       LYS  39  -2.731   9.784  -2.480
  301    H    VAL  40           H        VAL  40   1.264   5.145  -0.108
  302    HA   VAL  40           HA       VAL  40  -0.740   4.359  -2.128
  303    HB   VAL  40           HB       VAL  40   0.281   2.580   0.109
  304   1HG1  VAL  40          1HG1      VAL  40  -1.053   0.880  -1.011
  305   2HG1  VAL  40          2HG1      VAL  40  -2.053   2.328  -0.748
  306   3HG1  VAL  40          3HG1      VAL  40  -1.387   1.996  -2.359
  307   1HG2  VAL  40          1HG2      VAL  40   1.329   1.173  -1.560
  308   2HG2  VAL  40          2HG2      VAL  40   1.022   2.420  -2.805
  309   3HG2  VAL  40          3HG2      VAL  40   2.100   2.751  -1.406
  310    H    CYS  41           H        CYS  41  -2.566   5.524  -1.314
  311    HA   CYS  41           HA       CYS  41  -2.951   5.479   1.663
  312   1HB   CYS  41          2HB       CYS  41  -4.214   7.306  -0.359
  313   2HB   CYS  41          3HB       CYS  41  -4.545   7.249   1.353
  314    HG   CYS  41           HG       CYS  41  -3.045   9.091   1.658
  315    H    ILE  42           H        ILE  42  -4.074   3.752   2.266
  316    HA   ILE  42           HA       ILE  42  -5.782   2.538   0.213
  317    HB   ILE  42           HB       ILE  42  -4.943   1.353   2.893
  318   1HG1  ILE  42          2HG1      ILE  42  -3.472   1.048   0.259
  319   2HG1  ILE  42          3HG1      ILE  42  -2.894   1.962   1.668
  320   1HG2  ILE  42          1HG2      ILE  42  -5.971   0.131   0.283
  321   2HG2  ILE  42          2HG2      ILE  42  -5.392  -0.826   1.633
  322   3HG2  ILE  42          3HG2      ILE  42  -6.807   0.196   1.841
  323   1HD1  ILE  42          1HD1      ILE  42  -2.686  -0.096   2.962
  324   2HD1  ILE  42          2HD1      ILE  42  -3.205  -1.035   1.539
  325   3HD1  ILE  42          3HD1      ILE  42  -1.719  -0.098   1.515
  326    H    GLU  43           H        GLU  43  -7.990   2.088   0.583
  327    HA   GLU  43           HA       GLU  43  -9.082   2.760   3.251
  328   1HB   GLU  43          2HB       GLU  43  -9.944   4.343   1.470
  329   2HB   GLU  43          3HB       GLU  43 -10.700   2.940   0.687
  330   1HG   GLU  43          2HG       GLU  43 -11.186   3.788   3.597
  331   2HG   GLU  43          3HG       GLU  43 -12.217   4.252   2.237
  332    H    SER  44           H        SER  44  -9.923   0.965   4.189
  333    HA   SER  44           HA       SER  44 -10.867  -1.274   2.702
  334   1HB   SER  44          2HB       SER  44  -8.457  -1.612   2.264
  335   2HB   SER  44          3HB       SER  44  -8.138  -1.609   4.008
  336    HG   SER  44           HG       SER  44  -9.376  -3.499   4.172
  337    H    GLU  45           H        GLU  45 -12.414  -2.136   4.054
  338    HA   GLU  45           HA       GLU  45 -12.155  -1.994   6.972
  339   1HB   GLU  45          2HB       GLU  45 -14.171  -3.469   5.224
  340   2HB   GLU  45          3HB       GLU  45 -14.226  -3.296   6.983
  341   1HG   GLU  45          2HG       GLU  45 -14.150  -0.796   6.677
  342   2HG   GLU  45          3HG       GLU  45 -14.366  -1.040   4.929
  343    H    HIS  46           H        HIS  46  -9.897  -2.880   6.551
  344    HA   HIS  46           HA       HIS  46  -9.919  -5.576   7.670
  345   1HB   HIS  46          2HB       HIS  46  -8.136  -4.753   5.328
  346   2HB   HIS  46          3HB       HIS  46  -7.723  -6.035   6.454
  347    HD1  HIS  46           1HD      HIS  46  -8.343  -8.360   5.667
  348    HD2  HIS  46           2HD      HIS  46 -10.517  -5.283   3.800
  349    HE1  HIS  46           1HE      HIS  46  -9.532  -9.401   3.674
  350    H    SER  47           H        SER  47  -8.001  -5.651   9.216
  351    HA   SER  47           HA       SER  47  -7.816  -3.109  10.446
  352   1HB   SER  47          2HB       SER  47  -6.255  -4.183  12.009
  353   2HB   SER  47          3HB       SER  47  -7.686  -5.169  11.723
  354    HG   SER  47           HG       SER  47  -5.692  -6.364  11.645
  355    H    MET  48           H        MET  48  -6.011  -1.730  10.839
  356    HA   MET  48           HA       MET  48  -4.314  -1.255   8.649
  357   1HB   MET  48          2HB       MET  48  -3.237   0.392   9.839
  358   2HB   MET  48          3HB       MET  48  -4.903   0.369  10.437
  359   1HG   MET  48          2HG       MET  48  -4.045  -1.142  12.294
  360   2HG   MET  48          3HG       MET  48  -2.405  -0.671  11.788
  361   1HE   MET  48          1HE       MET  48  -1.690   0.284  14.084
  362   2HE   MET  48          2HE       MET  48  -2.698   1.380  15.058
  363   3HE   MET  48          3HE       MET  48  -3.245  -0.285  14.746
  364    H    ASP  49           H        ASP  49  -3.951  -3.397  11.426
  365    HA   ASP  49           HA       ASP  49  -1.228  -4.175  11.088
  366   1HB   ASP  49          2HB       ASP  49  -2.360  -4.806  13.090
  367   2HB   ASP  49          3HB       ASP  49  -3.678  -5.589  12.199
  368    H    THR  50           H        THR  50  -4.263  -5.744   9.849
  369    HA   THR  50           HA       THR  50  -3.022  -7.661   8.229
  370    HB   THR  50           HB       THR  50  -5.628  -6.159   7.698
  371    HG1  THR  50           1HG      THR  50  -5.637  -7.184   9.696
  372   1HG2  THR  50          1HG2      THR  50  -4.917  -7.418   5.726
  373   2HG2  THR  50          2HG2      THR  50  -4.608  -8.861   6.724
  374   3HG2  THR  50          3HG2      THR  50  -6.265  -8.256   6.524
  375    H    LEU  51           H        LEU  51  -3.921  -4.289   7.450
  376    HA   LEU  51           HA       LEU  51  -3.065  -4.238   4.733
  377   1HB   LEU  51          2HB       LEU  51  -3.198  -2.103   6.886
  378   2HB   LEU  51          3HB       LEU  51  -2.676  -1.769   5.255
  379    HG   LEU  51           HG       LEU  51  -5.266  -1.639   6.253
  380   1HD1  LEU  51          1HD1      LEU  51  -4.315  -0.372   4.391
  381   2HD1  LEU  51          2HD1      LEU  51  -4.273  -1.842   3.390
  382   3HD1  LEU  51          3HD1      LEU  51  -5.830  -1.127   3.889
  383   1HD2  LEU  51          1HD2      LEU  51  -6.639  -3.122   4.920
  384   2HD2  LEU  51          2HD2      LEU  51  -5.236  -4.008   4.323
  385   3HD2  LEU  51          3HD2      LEU  51  -5.691  -4.082   6.044
  386    H    LEU  52           H        LEU  52  -1.264  -3.165   7.667
  387    HA   LEU  52           HA       LEU  52   1.225  -2.641   6.571
  388   1HB   LEU  52          2HB       LEU  52   0.236  -3.517   9.236
  389   2HB   LEU  52          3HB       LEU  52   1.855  -4.045   8.846
  390    HG   LEU  52           HG       LEU  52   2.274  -1.523   8.194
  391   1HD1  LEU  52          1HD1      LEU  52   0.019  -1.319  10.259
  392   2HD1  LEU  52          2HD1      LEU  52   0.967   0.020   9.586
  393   3HD1  LEU  52          3HD1      LEU  52  -0.157  -0.889   8.549
  394   1HD2  LEU  52          1HD2      LEU  52   2.971  -1.116  10.521
  395   2HD2  LEU  52          2HD2      LEU  52   2.048  -2.547  11.039
  396   3HD2  LEU  52          3HD2      LEU  52   3.436  -2.726   9.942
  397    H    ALA  53           H        ALA  53   0.032  -5.804   7.774
  398    HA   ALA  53           HA       ALA  53   2.380  -7.304   7.276
  399   1HB   ALA  53          1HB       ALA  53   0.538  -8.049   8.742
  400   2HB   ALA  53          2HB       ALA  53  -0.529  -8.227   7.335
  401   3HB   ALA  53          3HB       ALA  53   0.904  -9.263   7.501
  402    H    THR  54           H        THR  54  -0.543  -6.768   5.254
  403    HA   THR  54           HA       THR  54   0.443  -8.310   3.064
  404    HB   THR  54           HB       THR  54  -1.732  -6.236   3.414
  405    HG1  THR  54           1HG      THR  54  -2.253  -8.169   4.192
  406   1HG2  THR  54          1HG2      THR  54  -0.914  -5.970   1.092
  407   2HG2  THR  54          2HG2      THR  54  -1.130  -7.715   0.820
  408   3HG2  THR  54          3HG2      THR  54  -2.514  -6.664   1.191
  409    H    LEU  55           H        LEU  55   0.695  -4.788   3.778
  410    HA   LEU  55           HA       LEU  55   1.708  -4.310   1.143
  411   1HB   LEU  55          2HB       LEU  55   0.924  -2.804   3.457
  412   2HB   LEU  55          3HB       LEU  55   2.500  -2.212   2.881
  413    HG   LEU  55           HG       LEU  55  -0.220  -2.198   1.574
  414   1HD1  LEU  55          1HD1      LEU  55   0.402   0.266   1.432
  415   2HD1  LEU  55          2HD1      LEU  55   0.339  -0.380   3.088
  416   3HD1  LEU  55          3HD1      LEU  55   1.897  -0.102   2.280
  417   1HD2  LEU  55          1HD2      LEU  55   0.879  -1.102  -0.392
  418   2HD2  LEU  55          2HD2      LEU  55   2.446  -1.720   0.195
  419   3HD2  LEU  55          3HD2      LEU  55   1.138  -2.839  -0.289
  420    H    LYS  56           H        LYS  56   3.308  -5.098   4.301
  421    HA   LYS  56           HA       LYS  56   5.946  -4.831   3.526
  422   1HB   LYS  56          2HB       LYS  56   4.364  -6.380   5.469
  423   2HB   LYS  56          3HB       LYS  56   5.693  -7.330   4.846
  424   1HG   LYS  56          2HG       LYS  56   6.439  -6.192   6.726
  425   2HG   LYS  56          3HG       LYS  56   7.293  -5.529   5.337
  426   1HD   LYS  56          2HD       LYS  56   6.775  -3.495   6.212
  427   2HD   LYS  56          3HD       LYS  56   5.150  -3.761   5.580
  428   1HE   LYS  56          2HE       LYS  56   6.185  -4.285   8.408
  429   2HE   LYS  56          3HE       LYS  56   4.982  -3.095   7.890
  430   1HZ   LYS  56          1HZ       LYS  56   4.671  -6.024   7.900
  431   2HZ   LYS  56          2HZ       LYS  56   3.849  -4.934   8.816
  432   3HZ   LYS  56          3HZ       LYS  56   3.622  -4.995   7.173
  433    H    LYS  57           H        LYS  57   3.616  -7.067   2.072
  434    HA   LYS  57           HA       LYS  57   5.521  -8.953   1.084
  435   1HB   LYS  57          2HB       LYS  57   2.885  -8.118  -0.126
  436   2HB   LYS  57          3HB       LYS  57   3.791  -9.570  -0.534
  437   1HG   LYS  57          2HG       LYS  57   3.345 -10.617   1.541
  438   2HG   LYS  57          3HG       LYS  57   2.830  -9.115   2.312
  439   1HD   LYS  57          2HD       LYS  57   0.879  -8.974   0.796
  440   2HD   LYS  57          3HD       LYS  57   1.336 -10.492   0.032
  441   1HE   LYS  57          2HE       LYS  57   0.750 -11.791   1.886
  442   2HE   LYS  57          3HE       LYS  57   0.953 -10.483   3.044
  443   1HZ   LYS  57          1HZ       LYS  57  -1.131  -9.535   2.379
  444   2HZ   LYS  57          2HZ       LYS  57  -1.261 -10.556   1.090
  445   3HZ   LYS  57          3HZ       LYS  57  -1.362 -11.126   2.623
  446    H    THR  58           H        THR  58   4.978  -5.603   0.155
  447    HA   THR  58           HA       THR  58   6.213  -5.590  -2.476
  448    HB   THR  58           HB       THR  58   6.915  -3.334  -1.873
  449    HG1  THR  58           1HG      THR  58   5.681  -3.649   0.636
  450   1HG2  THR  58          1HG2      THR  58   4.672  -3.569  -2.704
  451   2HG2  THR  58          2HG2      THR  58   4.048  -3.998  -1.102
  452   3HG2  THR  58          3HG2      THR  58   4.681  -2.370  -1.381
  453    H    GLY  59           H        GLY  59   7.421  -5.667   0.842
  454   1HA   GLY  59          2HA       GLY  59   9.407  -5.951   1.765
  455   2HA   GLY  59          3HA       GLY  59   9.937  -6.887   0.343
  456    H    LYS  60           H        LYS  60   8.860  -3.464   0.473
  457    HA   LYS  60           HA       LYS  60  11.637  -2.515  -0.103
  458   1HB   LYS  60          2HB       LYS  60   9.044  -1.267  -1.009
  459   2HB   LYS  60          3HB       LYS  60  10.677  -0.834  -1.477
  460   1HG   LYS  60          2HG       LYS  60  10.972  -3.102  -2.579
  461   2HG   LYS  60          3HG       LYS  60   9.271  -3.417  -2.253
  462   1HD   LYS  60          2HD       LYS  60   9.266  -2.685  -4.463
  463   2HD   LYS  60          3HD       LYS  60   8.705  -1.304  -3.520
  464   1HE   LYS  60          2HE       LYS  60  11.243  -0.541  -3.523
  465   2HE   LYS  60          3HE       LYS  60  11.470  -1.730  -4.804
  466   1HZ   LYS  60          1HZ       LYS  60  10.061  -0.428  -6.204
  467   2HZ   LYS  60          2HZ       LYS  60   9.443   0.395  -4.917
  468   3HZ   LYS  60          3HZ       LYS  60  10.947   0.706  -5.377
  469    H    THR  61           H        THR  61  11.277   0.124   0.190
  470    HA   THR  61           HA       THR  61  11.115   0.465   2.930
  471    HB   THR  61           HB       THR  61  11.099   2.616   0.883
  472    HG1  THR  61           1HG      THR  61  13.312   0.981   1.544
  473   1HG2  THR  61          1HG2      THR  61  12.791   3.682   2.361
  474   2HG2  THR  61          2HG2      THR  61  11.288   3.361   3.243
  475   3HG2  THR  61          3HG2      THR  61  12.695   2.299   3.472
  476    H    VAL  62           H        VAL  62   8.765  -0.427   2.919
  477    HA   VAL  62           HA       VAL  62   6.721   1.643   2.558
  478    HB   VAL  62           HB       VAL  62   6.046  -0.579   2.086
  479   1HG1  VAL  62          1HG1      VAL  62   6.528  -1.282   5.009
  480   2HG1  VAL  62          2HG1      VAL  62   5.777  -2.304   3.769
  481   3HG1  VAL  62          3HG1      VAL  62   7.490  -1.883   3.637
  482   1HG2  VAL  62          1HG2      VAL  62   4.699   0.362   4.662
  483   2HG2  VAL  62          2HG2      VAL  62   4.398   1.051   3.056
  484   3HG2  VAL  62          3HG2      VAL  62   3.997  -0.640   3.387
  485    H    SER  63           H        SER  63   6.049   3.090   4.036
  486    HA   SER  63           HA       SER  63   6.690   2.688   6.911
  487   1HB   SER  63          2HB       SER  63   7.046   5.195   6.984
  488   2HB   SER  63          3HB       SER  63   8.312   4.259   6.159
  489    HG   SER  63           HG       SER  63   7.795   5.992   4.857
  490    H    TYR  64           H        TYR  64   5.036   3.220   8.253
  491    HA   TYR  64           HA       TYR  64   2.360   3.417   7.080
  492   1HB   TYR  64          2HB       TYR  64   2.658   1.817   8.807
  493   2HB   TYR  64          3HB       TYR  64   3.507   2.962   9.840
  494    HD1  TYR  64           HD1      TYR  64   2.367   4.497  11.282
  495    HD2  TYR  64           HD2      TYR  64   0.127   2.079   8.499
  496    HE1  TYR  64           HE1      TYR  64   0.273   5.034  12.491
  497    HE2  TYR  64           HE2      TYR  64  -1.946   2.550   9.763
  498    HH   TYR  64           HH       TYR  64  -2.832   3.531  11.648
  499    H    LEU  65           H        LEU  65   1.190   5.212   6.951
  500    HA   LEU  65           HA       LEU  65   1.776   7.599   8.600
  501   1HB   LEU  65          2HB       LEU  65   0.613   7.454   5.823
  502   2HB   LEU  65          3HB       LEU  65   0.484   8.833   6.915
  503    HG   LEU  65           HG       LEU  65   3.141   8.520   7.142
  504   1HD1  LEU  65          1HD1      LEU  65   3.289   6.518   5.723
  505   2HD1  LEU  65          2HD1      LEU  65   2.543   7.427   4.382
  506   3HD1  LEU  65          3HD1      LEU  65   4.147   7.883   5.006
  507   1HD2  LEU  65          1HD2      LEU  65   3.372  10.150   5.309
  508   2HD2  LEU  65          2HD2      LEU  65   1.704   9.776   4.792
  509   3HD2  LEU  65          3HD2      LEU  65   2.004  10.506   6.395
  510    H    GLY  66           H        GLY  66  -0.609   8.744   8.754
  511   1HA   GLY  66          2HA       GLY  66  -1.719   7.353  10.810
  512   2HA   GLY  66          3HA       GLY  66  -2.550   8.651   9.946
  513    H    LEU  67           H        LEU  67  -3.531   6.236  11.285
  514    HA   LEU  67           HA       LEU  67  -5.335   5.089   9.277
  515   1HB   LEU  67          2HB       LEU  67  -4.765   3.689  11.137
  516   2HB   LEU  67          3HB       LEU  67  -5.074   4.960  12.324
  517    HG   LEU  67           HG       LEU  67  -7.312   4.042  10.538
  518   1HD1  LEU  67          1HD1      LEU  67  -7.873   2.232  12.125
  519   2HD1  LEU  67          2HD1      LEU  67  -6.282   1.948  11.415
  520   3HD1  LEU  67          3HD1      LEU  67  -6.404   2.582  13.064
  521   1HD2  LEU  67          1HD2      LEU  67  -8.687   4.461  12.572
  522   2HD2  LEU  67          2HD2      LEU  67  -7.225   4.859  13.493
  523   3HD2  LEU  67          3HD2      LEU  67  -7.773   5.912  12.186
  524    H    GLU  68           H        GLU  68  -7.508   6.040   9.052
  525    HA   GLU  68           HA       GLU  68  -8.425   7.984  10.967
  526   1HB   GLU  68          2HB       GLU  68  -6.962   9.421   9.584
  527   2HB   GLU  68          3HB       GLU  68  -7.791   8.880   8.133
  528   1HG   GLU  68          2HG       GLU  68  -9.869   9.975   8.914
  529   2HG   GLU  68          3HG       GLU  68  -9.050  10.452  10.410
  Start of MODEL   29
    1   1H    MET   1           H1       MET   1 -12.118   7.740   7.946
    2   2H    MET   1           H2       MET   1 -13.243   8.132   9.134
    3   3H    MET   1           H3       MET   1 -11.767   7.465   9.500
    4    HA   MET   1           HA       MET   1 -13.137   5.646   9.626
    5   1HB   MET   1          2HB       MET   1 -14.361   6.597   6.979
    6   2HB   MET   1          3HB       MET   1 -14.751   5.084   7.806
    7   1HG   MET   1          2HG       MET   1 -16.482   6.594   8.393
    8   2HG   MET   1          3HG       MET   1 -15.447   6.448   9.817
    9   1HE   MET   1          1HE       MET   1 -16.134   8.536  11.108
   10   2HE   MET   1          2HE       MET   1 -16.507  10.096  10.337
   11   3HE   MET   1          3HE       MET   1 -17.478   8.658   9.943
   12    HA   PRO   2           HA       PRO   2  -9.754   3.893   8.729
   13   1HB   PRO   2          2HB       PRO   2 -10.271   1.522   7.132
   14   2HB   PRO   2          3HB       PRO   2  -9.867   1.689   8.861
   15   1HG   PRO   2          2HG       PRO   2 -12.520   1.500   7.525
   16   2HG   PRO   2          3HG       PRO   2 -12.105   1.075   9.209
   17   1HD   PRO   2          2HD       PRO   2 -13.547   3.273   8.628
   18   2HD   PRO   2          3HD       PRO   2 -12.297   3.345   9.909
   19    H    LYS   3           H        LYS   3  -9.011   5.664   7.543
   20    HA   LYS   3           HA       LYS   3  -8.151   4.995   4.759
   21   1HB   LYS   3          2HB       LYS   3  -8.997   7.390   5.611
   22   2HB   LYS   3          3HB       LYS   3  -7.302   7.513   6.150
   23   1HG   LYS   3          2HG       LYS   3  -6.716   6.689   3.755
   24   2HG   LYS   3          3HG       LYS   3  -8.414   7.075   3.378
   25   1HD   LYS   3          2HD       LYS   3  -7.901   9.419   4.399
   26   2HD   LYS   3          3HD       LYS   3  -6.199   8.964   4.314
   27   1HE   LYS   3          2HE       LYS   3  -8.215   9.270   2.052
   28   2HE   LYS   3          3HE       LYS   3  -6.739  10.215   2.311
   29   1HZ   LYS   3          1HZ       LYS   3  -5.454   8.255   1.699
   30   2HZ   LYS   3          2HZ       LYS   3  -6.820   7.326   1.639
   31   3HZ   LYS   3          3HZ       LYS   3  -6.589   8.508   0.556
   32    H    HIS   4           H        HIS   4  -6.291   3.893   4.610
   33    HA   HIS   4           HA       HIS   4  -4.278   4.051   6.811
   34   1HB   HIS   4          2HB       HIS   4  -4.817   1.789   4.853
   35   2HB   HIS   4          3HB       HIS   4  -3.717   1.780   6.239
   36    HD1  HIS   4           1HD      HIS   4  -6.756   0.195   5.452
   37    HD2  HIS   4           2HD      HIS   4  -5.550   2.729   8.583
   38    HE1  HIS   4           1HE      HIS   4  -8.341  -0.246   7.398
   39    H    GLU   5           H        GLU   5  -2.861   5.598   6.033
   40    HA   GLU   5           HA       GLU   5  -2.103   5.510   3.154
   41   1HB   GLU   5          2HB       GLU   5  -2.845   7.696   4.092
   42   2HB   GLU   5          3HB       GLU   5  -1.449   7.656   5.189
   43   1HG   GLU   5          2HG       GLU   5   0.090   7.593   3.264
   44   2HG   GLU   5          3HG       GLU   5  -1.272   7.456   2.145
   45    H    PHE   6           H        PHE   6  -0.034   5.147   2.502
   46    HA   PHE   6           HA       PHE   6   2.056   4.567   4.513
   47   1HB   PHE   6          2HB       PHE   6   1.461   2.867   2.067
   48   2HB   PHE   6          3HB       PHE   6   2.786   2.623   3.200
   49    HD1  PHE   6           1HD      PHE   6   2.484   1.121   5.056
   50    HD2  PHE   6           2HD      PHE   6  -0.977   2.643   2.950
   51    HE1  PHE   6           1HE      PHE   6   1.048  -0.447   6.251
   52    HE2  PHE   6           2HE      PHE   6  -2.426   1.213   4.316
   53    HZ   PHE   6           HZ       PHE   6  -1.437  -0.344   5.993
   54    H    SER   7           H        SER   7   3.969   5.380   4.000
   55    HA   SER   7           HA       SER   7   4.418   6.696   1.364
   56   1HB   SER   7          2HB       SER   7   5.044   8.009   3.256
   57   2HB   SER   7          3HB       SER   7   5.994   6.691   3.967
   58    HG   SER   7           HG       SER   7   7.269   8.237   2.768
   59    H    VAL   8           H        VAL   8   5.634   5.566  -0.122
   60    HA   VAL   8           HA       VAL   8   6.866   2.969   0.635
   61    HB   VAL   8           HB       VAL   8   4.724   3.227  -1.519
   62   1HG1  VAL   8          1HG1      VAL   8   6.166   0.804  -0.352
   63   2HG1  VAL   8          2HG1      VAL   8   4.855   0.745  -1.547
   64   3HG1  VAL   8          3HG1      VAL   8   6.401   1.480  -1.977
   65   1HG2  VAL   8          1HG2      VAL   8   3.511   3.380   0.543
   66   2HG2  VAL   8          2HG2      VAL   8   3.374   1.693   0.033
   67   3HG2  VAL   8          3HG2      VAL   8   4.517   2.136   1.307
   68    H    ASP   9           H        ASP   9   8.791   2.908  -0.422
   69    HA   ASP   9           HA       ASP   9   9.690   4.698  -2.344
   70   1HB   ASP   9          2HB       ASP   9  11.261   3.273  -1.182
   71   2HB   ASP   9          3HB       ASP   9  10.522   1.812  -1.875
   72    H    MET  10           H        MET  10   8.947   5.052  -4.219
   73    HA   MET  10           HA       MET  10   8.144   2.911  -6.129
   74   1HB   MET  10          2HB       MET  10   6.937   5.684  -5.844
   75   2HB   MET  10          3HB       MET  10   6.598   4.568  -7.162
   76   1HG   MET  10          2HG       MET  10   6.007   3.769  -4.301
   77   2HG   MET  10          3HG       MET  10   4.914   4.808  -5.210
   78   1HE   MET  10          1HE       MET  10   2.902   1.568  -5.146
   79   2HE   MET  10          2HE       MET  10   3.971   2.184  -3.859
   80   3HE   MET  10          3HE       MET  10   2.959   3.311  -4.792
   81    H    THR  11           H        THR  11   8.980   3.308  -8.219
   82    HA   THR  11           HA       THR  11  10.342   5.841  -8.769
   83    HB   THR  11           HB       THR  11  12.079   4.649  -7.575
   84    HG1  THR  11           1HG      THR  11  13.639   4.845  -9.200
   85   1HG2  THR  11          1HG2      THR  11  11.469   2.296  -8.061
   86   2HG2  THR  11          2HG2      THR  11  11.985   2.510  -9.752
   87   3HG2  THR  11          3HG2      THR  11  13.157   2.646  -8.433
   88    H    CYS  12           HN       CYS  12   9.609   2.510  -9.958
   89    HA   CYS  12           HA       CYS  12   8.994   3.702 -12.618
   90   1HB   CYS  12          2HB       CYS  12   9.747   1.657 -13.619
   91   2HB   CYS  12          3HB       CYS  12  11.037   2.252 -12.578
   92    H    GLY  13           H        GLY  13   7.284   2.516 -13.716
   93   1HA   GLY  13          2HA       GLY  13   4.863   2.134 -12.445
   94   2HA   GLY  13          3HA       GLY  13   5.352   1.294 -13.929
   95    H    GLY  14           H        GLY  14   7.441  -0.256 -13.013
   96   1HA   GLY  14          2HA       GLY  14   6.476  -2.633 -12.165
   97   2HA   GLY  14          3HA       GLY  14   8.110  -2.048 -11.804
   98    H    CYS  15           HN       CYS  15   7.474   0.059  -9.958
   99    HA   CYS  15           HA       CYS  15   7.217  -1.513  -7.545
  100   1HB   CYS  15          2HB       CYS  15   7.093   1.484  -8.025
  101   2HB   CYS  15          3HB       CYS  15   7.161   0.701  -6.442
  102    H    ALA  16           H        ALA  16   5.031   0.726  -9.290
  103    HA   ALA  16           HA       ALA  16   2.850   0.576  -7.414
  104   1HB   ALA  16          1HB       ALA  16   2.935   1.258 -10.386
  105   2HB   ALA  16          2HB       ALA  16   1.500   1.385  -9.364
  106   3HB   ALA  16          3HB       ALA  16   2.933   2.378  -9.004
  107    H    GLU  17           H        GLU  17   3.563  -1.127 -10.480
  108    HA   GLU  17           HA       GLU  17   1.388  -2.885 -10.593
  109   1HB   GLU  17          2HB       GLU  17   4.303  -3.293 -11.370
  110   2HB   GLU  17          3HB       GLU  17   2.991  -4.360 -11.870
  111   1HG   GLU  17          2HG       GLU  17   1.993  -2.704 -13.240
  112   2HG   GLU  17          3HG       GLU  17   2.889  -1.380 -12.492
  113    H    ALA  18           H        ALA  18   4.584  -3.393  -8.990
  114    HA   ALA  18           HA       ALA  18   4.062  -5.962  -7.951
  115   1HB   ALA  18          1HB       ALA  18   5.842  -3.759  -6.837
  116   2HB   ALA  18          2HB       ALA  18   5.911  -5.475  -6.393
  117   3HB   ALA  18          3HB       ALA  18   6.308  -4.972  -8.049
  118    H    VAL  19           H        VAL  19   3.679  -2.737  -6.307
  119    HA   VAL  19           HA       VAL  19   2.767  -3.809  -3.869
  120    HB   VAL  19           HB       VAL  19   2.281  -1.134  -5.265
  121   1HG1  VAL  19          1HG1      VAL  19   0.594  -1.417  -3.593
  122   2HG1  VAL  19          2HG1      VAL  19   1.761  -2.176  -2.479
  123   3HG1  VAL  19          3HG1      VAL  19   1.863  -0.428  -2.843
  124   1HG2  VAL  19          1HG2      VAL  19   4.736  -1.872  -4.579
  125   2HG2  VAL  19          2HG2      VAL  19   4.133  -0.286  -4.085
  126   3HG2  VAL  19          3HG2      VAL  19   4.154  -1.615  -2.935
  127    H    SER  20           H        SER  20   1.009  -2.626  -6.723
  128    HA   SER  20           HA       SER  20  -1.651  -3.000  -5.837
  129   1HB   SER  20          2HB       SER  20  -0.743  -1.903  -7.997
  130   2HB   SER  20          3HB       SER  20  -0.594  -3.508  -8.684
  131    HG   SER  20           HG       SER  20  -2.581  -2.549  -9.232
  132    H    ARG  21           H        ARG  21   0.461  -5.244  -7.658
  133    HA   ARG  21           HA       ARG  21  -1.228  -7.477  -7.683
  134   1HB   ARG  21          2HB       ARG  21   0.499  -8.247  -8.803
  135   2HB   ARG  21          3HB       ARG  21   1.518  -6.955  -8.228
  136   1HG   ARG  21          2HG       ARG  21   2.369  -8.241  -6.402
  137   2HG   ARG  21          3HG       ARG  21   1.169  -9.516  -6.630
  138   1HD   ARG  21          2HD       ARG  21   3.372 -10.152  -7.536
  139   2HD   ARG  21          3HD       ARG  21   2.116 -10.106  -8.797
  140    HE   ARG  21           HE       ARG  21   3.354  -7.567  -8.689
  141   1HH1  ARG  21          2HH2      ARG  21   4.126 -10.845  -9.690
  142   2HH1  ARG  21          1HH2      ARG  21   5.292 -10.384 -10.893
  143   1HH2  ARG  21          2HH1      ARG  21   4.916  -6.891 -10.244
  144   2HH2  ARG  21          1HH1      ARG  21   5.747  -8.062 -11.209
  145    H    VAL  22           H        VAL  22   0.999  -6.483  -5.039
  146    HA   VAL  22           HA       VAL  22   0.574  -8.806  -3.431
  147    HB   VAL  22           HB       VAL  22   1.992  -6.194  -3.365
  148   1HG1  VAL  22          1HG1      VAL  22   0.972  -7.296  -0.762
  149   2HG1  VAL  22          2HG1      VAL  22   2.358  -6.191  -0.947
  150   3HG1  VAL  22          3HG1      VAL  22   0.758  -5.671  -1.496
  151   1HG2  VAL  22          1HG2      VAL  22   2.664  -8.889  -2.204
  152   2HG2  VAL  22          2HG2      VAL  22   3.089  -8.295  -3.829
  153   3HG2  VAL  22          3HG2      VAL  22   3.743  -7.477  -2.397
  154    H    LEU  23           H        LEU  23  -0.843  -5.537  -3.445
  155    HA   LEU  23           HA       LEU  23  -2.717  -6.113  -1.287
  156   1HB   LEU  23          2HB       LEU  23  -2.200  -3.895  -3.249
  157   2HB   LEU  23          3HB       LEU  23  -3.727  -3.885  -2.459
  158    HG   LEU  23           HG       LEU  23  -1.023  -4.044  -1.033
  159   1HD1  LEU  23          1HD1      LEU  23  -1.429  -1.947  -2.401
  160   2HD1  LEU  23          2HD1      LEU  23  -2.883  -1.665  -1.417
  161   3HD1  LEU  23          3HD1      LEU  23  -1.252  -1.686  -0.668
  162   1HD2  LEU  23          1HD2      LEU  23  -2.872  -4.903   0.384
  163   2HD2  LEU  23          2HD2      LEU  23  -2.474  -3.283   0.933
  164   3HD2  LEU  23          3HD2      LEU  23  -3.879  -3.536  -0.132
  165    H    ASN  24           H        ASN  24  -2.812  -6.599  -4.794
  166    HA   ASN  24           HA       ASN  24  -5.665  -6.950  -4.880
  167   1HB   ASN  24          2HB       ASN  24  -4.382  -6.473  -6.901
  168   2HB   ASN  24          3HB       ASN  24  -3.507  -8.004  -6.741
  169   1HD2  ASN  24          1HD2      ASN  24  -6.807  -8.437  -5.742
  170   2HD2  ASN  24          2HD2      ASN  24  -7.337  -9.083  -7.278
  171    H    LYS  25           H        LYS  25  -2.848  -9.093  -4.363
  172    HA   LYS  25           HA       LYS  25  -4.198 -11.486  -3.950
  173   1HB   LYS  25          2HB       LYS  25  -1.632 -10.755  -3.663
  174   2HB   LYS  25          3HB       LYS  25  -2.055 -10.792  -1.956
  175   1HG   LYS  25          2HG       LYS  25  -2.252 -13.101  -3.956
  176   2HG   LYS  25          3HG       LYS  25  -1.057 -12.867  -2.689
  177   1HD   LYS  25          2HD       LYS  25  -2.355 -14.275  -1.501
  178   2HD   LYS  25          3HD       LYS  25  -3.224 -12.801  -1.109
  179   1HE   LYS  25          2HE       LYS  25  -4.503 -13.601  -3.469
  180   2HE   LYS  25          3HE       LYS  25  -3.978 -15.157  -2.835
  181   1HZ   LYS  25          1HZ       LYS  25  -5.176 -14.566  -0.778
  182   2HZ   LYS  25          2HZ       LYS  25  -5.620 -13.132  -1.474
  183   3HZ   LYS  25          3HZ       LYS  25  -6.175 -14.549  -2.092
  184    H    LEU  26           H        LEU  26  -3.868  -8.727  -1.676
  185    HA   LEU  26           HA       LEU  26  -5.464  -9.812   0.448
  186   1HB   LEU  26          2HB       LEU  26  -4.048  -7.573   0.331
  187   2HB   LEU  26          3HB       LEU  26  -5.527  -6.882  -0.311
  188    HG   LEU  26           HG       LEU  26  -5.552  -6.321   1.871
  189   1HD1  LEU  26          1HD1      LEU  26  -7.582  -7.095   2.605
  190   2HD1  LEU  26          2HD1      LEU  26  -7.679  -7.355   0.867
  191   3HD1  LEU  26          3HD1      LEU  26  -7.358  -8.735   1.938
  192   1HD2  LEU  26          1HD2      LEU  26  -4.951  -9.181   2.667
  193   2HD2  LEU  26          2HD2      LEU  26  -3.944  -7.722   2.872
  194   3HD2  LEU  26          3HD2      LEU  26  -5.461  -7.875   3.765
  195    H    GLY  27           H        GLY  27  -6.332  -7.656  -2.293
  196   1HA   GLY  27          2HA       GLY  27  -8.052  -7.855  -3.808
  197   2HA   GLY  27          3HA       GLY  27  -8.682  -9.257  -2.936
  198    H    GLY  28           H        GLY  28  -9.287  -8.404  -0.484
  199   1HA   GLY  28          2HA       GLY  28 -11.674  -6.779  -0.871
  200   2HA   GLY  28          3HA       GLY  28 -11.035  -7.406   0.658
  201    H    VAL  29           H        VAL  29  -9.805  -5.087  -1.841
  202    HA   VAL  29           HA       VAL  29  -9.675  -2.938   0.202
  203    HB   VAL  29           HB       VAL  29  -7.321  -2.424  -0.412
  204   1HG1  VAL  29          1HG1      VAL  29  -7.763  -3.908   1.598
  205   2HG1  VAL  29          2HG1      VAL  29  -7.491  -5.294   0.515
  206   3HG1  VAL  29          3HG1      VAL  29  -6.179  -4.164   0.825
  207   1HG2  VAL  29          1HG2      VAL  29  -5.931  -4.028  -1.596
  208   2HG2  VAL  29          2HG2      VAL  29  -7.297  -5.154  -1.772
  209   3HG2  VAL  29          3HG2      VAL  29  -7.302  -3.607  -2.645
  210    H    LYS  30           H        LYS  30  -9.315  -0.802  -0.750
  211    HA   LYS  30           HA       LYS  30  -8.859  -0.826  -3.621
  212   1HB   LYS  30          2HB       LYS  30 -11.215  -0.238  -3.571
  213   2HB   LYS  30          3HB       LYS  30 -10.957   0.886  -2.245
  214   1HG   LYS  30          2HG       LYS  30 -11.362   2.048  -4.345
  215   2HG   LYS  30          3HG       LYS  30  -9.838   2.477  -3.607
  216   1HD   LYS  30          2HD       LYS  30  -9.869   2.285  -6.130
  217   2HD   LYS  30          3HD       LYS  30  -8.549   1.516  -5.321
  218   1HE   LYS  30          2HE       LYS  30  -9.380   0.170  -7.173
  219   2HE   LYS  30          3HE       LYS  30  -9.485  -0.712  -5.663
  220   1HZ   LYS  30          1HZ       LYS  30 -11.482  -0.971  -6.923
  221   2HZ   LYS  30          2HZ       LYS  30 -11.821  -0.146  -5.543
  222   3HZ   LYS  30          3HZ       LYS  30 -11.739   0.655  -6.980
  223    H    TYR  31           H        TYR  31  -7.273   0.603  -4.156
  224    HA   TYR  31           HA       TYR  31  -6.223   2.358  -2.070
  225   1HB   TYR  31          2HB       TYR  31  -3.894   1.480  -2.837
  226   2HB   TYR  31          3HB       TYR  31  -4.843   0.442  -1.790
  227    HD1  TYR  31           HD1      TYR  31  -3.867   0.947  -5.348
  228    HD2  TYR  31           HD2      TYR  31  -5.613  -1.717  -2.464
  229    HE1  TYR  31           HE1      TYR  31  -3.730  -0.912  -6.988
  230    HE2  TYR  31           HE2      TYR  31  -5.520  -3.572  -4.135
  231    HH   TYR  31           HH       TYR  31  -3.879  -3.249  -7.238
  232    H    ASP  32           H        ASP  32  -4.880   3.982  -2.863
  233    HA   ASP  32           HA       ASP  32  -4.893   4.492  -5.792
  234   1HB   ASP  32          2HB       ASP  32  -6.391   6.149  -4.820
  235   2HB   ASP  32          3HB       ASP  32  -5.219   6.528  -3.549
  236    H    ILE  33           H        ILE  33  -2.898   5.684  -6.396
  237    HA   ILE  33           HA       ILE  33  -0.540   4.767  -4.801
  238    HB   ILE  33           HB       ILE  33  -1.520   3.834  -7.519
  239   1HG1  ILE  33          2HG1      ILE  33  -0.211   2.105  -5.417
  240   2HG1  ILE  33          3HG1      ILE  33  -1.894   2.575  -5.190
  241   1HG2  ILE  33          1HG2      ILE  33   0.771   2.751  -7.731
  242   2HG2  ILE  33          2HG2      ILE  33   0.702   4.494  -8.002
  243   3HG2  ILE  33          3HG2      ILE  33   1.318   3.858  -6.457
  244   1HD1  ILE  33          1HD1      ILE  33  -2.596   1.594  -7.273
  245   2HD1  ILE  33          2HD1      ILE  33  -0.918   1.203  -7.722
  246   3HD1  ILE  33          3HD1      ILE  33  -1.677   0.394  -6.343
  247    H    ASP  34           H        ASP  34   0.909   6.401  -4.808
  248    HA   ASP  34           HA       ASP  34   1.039   8.221  -7.184
  249   1HB   ASP  34          2HB       ASP  34   0.253   9.379  -5.157
  250   2HB   ASP  34          3HB       ASP  34   1.758   8.885  -4.354
  251    H    LEU  35           H        LEU  35   2.720   7.574  -8.352
  252    HA   LEU  35           HA       LEU  35   5.016   6.207  -7.232
  253   1HB   LEU  35          2HB       LEU  35   4.333   7.212 -10.008
  254   2HB   LEU  35          3HB       LEU  35   5.918   6.599  -9.556
  255    HG   LEU  35           HG       LEU  35   3.963   4.697  -8.590
  256   1HD1  LEU  35          1HD1      LEU  35   2.350   5.698 -10.168
  257   2HD1  LEU  35          2HD1      LEU  35   3.513   5.488 -11.500
  258   3HD1  LEU  35          3HD1      LEU  35   2.824   4.070 -10.694
  259   1HD2  LEU  35          1HD2      LEU  35   5.061   3.162 -10.152
  260   2HD2  LEU  35          2HD2      LEU  35   5.778   4.528 -11.031
  261   3HD2  LEU  35          3HD2      LEU  35   6.277   4.177  -9.367
  262    HA   PRO  36           HA       PRO  36   7.471  10.106  -8.500
  263   1HB   PRO  36          2HB       PRO  36   6.168  12.574  -8.532
  264   2HB   PRO  36          3HB       PRO  36   6.527  11.563  -9.961
  265   1HG   PRO  36          2HG       PRO  36   3.963  11.669  -8.361
  266   2HG   PRO  36          3HG       PRO  36   4.150  11.725 -10.137
  267   1HD   PRO  36          2HD       PRO  36   3.502   9.440  -8.950
  268   2HD   PRO  36          3HD       PRO  36   4.760   9.419 -10.220
  269    H    ASN  37           H        ASN  37   4.767  10.377  -6.227
  270    HA   ASN  37           HA       ASN  37   6.562  11.695  -4.214
  271   1HB   ASN  37          2HB       ASN  37   3.550  11.437  -4.109
  272   2HB   ASN  37          3HB       ASN  37   4.588  12.335  -3.023
  273   1HD2  ASN  37          1HD2      ASN  37   2.644  12.673  -5.773
  274   2HD2  ASN  37          2HD2      ASN  37   3.292  14.223  -6.317
  275    H    LYS  38           H        LYS  38   6.044   8.597  -5.037
  276    HA   LYS  38           HA       LYS  38   6.259   6.629  -3.881
  277   1HB   LYS  38          2HB       LYS  38   7.847   8.548  -2.094
  278   2HB   LYS  38          3HB       LYS  38   7.936   6.801  -2.008
  279   1HG   LYS  38          2HG       LYS  38   9.681   7.065  -3.429
  280   2HG   LYS  38          3HG       LYS  38   8.385   7.015  -4.632
  281   1HD   LYS  38          2HD       LYS  38   8.325   9.586  -4.420
  282   2HD   LYS  38          3HD       LYS  38   9.845   9.435  -3.527
  283   1HE   LYS  38          2HE       LYS  38  10.859   8.263  -5.492
  284   2HE   LYS  38          3HE       LYS  38   9.301   8.321  -6.334
  285   1HZ   LYS  38          1HZ       LYS  38  10.884  10.679  -5.578
  286   2HZ   LYS  38          2HZ       LYS  38  10.685  10.068  -7.099
  287   3HZ   LYS  38          3HZ       LYS  38   9.396  10.699  -6.286
  288    H    LYS  39           H        LYS  39   3.781   7.025  -3.537
  289    HA   LYS  39           HA       LYS  39   3.260   6.533  -0.659
  290   1HB   LYS  39          2HB       LYS  39   2.361   8.884  -2.308
  291   2HB   LYS  39          3HB       LYS  39   1.156   8.129  -1.275
  292   1HG   LYS  39          2HG       LYS  39   2.675   8.468   0.685
  293   2HG   LYS  39          3HG       LYS  39   3.857   9.234  -0.394
  294   1HD   LYS  39          2HD       LYS  39   2.508  10.919   0.771
  295   2HD   LYS  39          3HD       LYS  39   2.234  10.992  -0.987
  296   1HE   LYS  39          2HE       LYS  39   0.040  10.220  -0.838
  297   2HE   LYS  39          3HE       LYS  39   0.379   9.223   0.582
  298   1HZ   LYS  39          1HZ       LYS  39  -1.028  10.927   1.202
  299   2HZ   LYS  39          2HZ       LYS  39   0.328  11.059   1.975
  300   3HZ   LYS  39          3HZ       LYS  39   0.020  12.147   0.726
  301    H    VAL  40           H        VAL  40   1.340   5.483  -0.176
  302    HA   VAL  40           HA       VAL  40  -0.400   4.597  -2.372
  303    HB   VAL  40           HB       VAL  40   0.640   2.817  -0.116
  304   1HG1  VAL  40          1HG1      VAL  40  -1.070   2.237  -2.569
  305   2HG1  VAL  40          2HG1      VAL  40  -0.527   1.038  -1.369
  306   3HG1  VAL  40          3HG1      VAL  40  -1.642   2.332  -0.893
  307   1HG2  VAL  40          1HG2      VAL  40   1.351   2.731  -3.070
  308   2HG2  VAL  40          2HG2      VAL  40   2.446   3.203  -1.748
  309   3HG2  VAL  40          3HG2      VAL  40   1.837   1.555  -1.823
  310    H    CYS  41           H        CYS  41  -2.481   4.938  -1.756
  311    HA   CYS  41           HA       CYS  41  -3.218   5.440   1.127
  312   1HB   CYS  41          2HB       CYS  41  -4.173   6.529  -1.542
  313   2HB   CYS  41          3HB       CYS  41  -5.334   6.350  -0.217
  314    HG   CYS  41           HG       CYS  41  -4.114   8.813  -0.729
  315    H    ILE  42           H        ILE  42  -4.433   3.826   2.019
  316    HA   ILE  42           HA       ILE  42  -5.848   2.109   0.095
  317    HB   ILE  42           HB       ILE  42  -4.607   1.009   2.626
  318   1HG1  ILE  42          2HG1      ILE  42  -3.390   1.039  -0.150
  319   2HG1  ILE  42          3HG1      ILE  42  -2.771   1.849   1.307
  320   1HG2  ILE  42          1HG2      ILE  42  -5.047  -1.174   1.340
  321   2HG2  ILE  42          2HG2      ILE  42  -6.499  -0.248   1.693
  322   3HG2  ILE  42          3HG2      ILE  42  -5.795  -0.211   0.077
  323   1HD1  ILE  42          1HD1      ILE  42  -2.887  -1.142   0.997
  324   2HD1  ILE  42          2HD1      ILE  42  -1.487  -0.092   0.775
  325   3HD1  ILE  42          3HD1      ILE  42  -2.210  -0.242   2.366
  326    H    GLU  43           H        GLU  43  -7.946   1.905   0.476
  327    HA   GLU  43           HA       GLU  43  -9.027   2.581   3.181
  328   1HB   GLU  43          2HB       GLU  43 -10.159   3.079   0.394
  329   2HB   GLU  43          3HB       GLU  43 -11.066   3.232   1.909
  330   1HG   GLU  43          2HG       GLU  43 -10.337   5.430   1.394
  331   2HG   GLU  43          3HG       GLU  43  -9.337   4.858   2.734
  332    H    SER  44           H        SER  44  -9.780   0.815   4.188
  333    HA   SER  44           HA       SER  44 -11.417  -1.104   2.804
  334   1HB   SER  44          2HB       SER  44  -9.153  -2.003   2.237
  335   2HB   SER  44          3HB       SER  44  -8.752  -2.043   3.967
  336    HG   SER  44           HG       SER  44 -10.123  -3.870   2.547
  337    H    GLU  45           H        GLU  45 -12.384  -2.593   4.320
  338    HA   GLU  45           HA       GLU  45 -12.631  -1.734   7.098
  339   1HB   GLU  45          2HB       GLU  45 -13.470  -4.314   5.685
  340   2HB   GLU  45          3HB       GLU  45 -13.945  -3.807   7.313
  341   1HG   GLU  45          2HG       GLU  45 -15.074  -1.808   6.374
  342   2HG   GLU  45          3HG       GLU  45 -14.631  -2.313   4.733
  343    H    HIS  46           H        HIS  46 -10.479  -3.786   5.172
  344    HA   HIS  46           HA       HIS  46  -9.375  -5.357   7.328
  345   1HB   HIS  46          2HB       HIS  46  -8.277  -4.456   4.638
  346   2HB   HIS  46          3HB       HIS  46  -7.336  -5.370   5.801
  347    HD1  HIS  46           1HD      HIS  46  -7.577  -7.912   5.788
  348    HD2  HIS  46           2HD      HIS  46 -10.463  -5.858   3.539
  349    HE1  HIS  46           1HE      HIS  46  -8.747  -9.644   4.341
  350    H    SER  47           H        SER  47  -8.867  -4.243   9.119
  351    HA   SER  47           HA       SER  47  -7.806  -1.734   9.522
  352   1HB   SER  47          2HB       SER  47  -8.510  -3.420  11.267
  353   2HB   SER  47          3HB       SER  47  -6.909  -4.176  11.092
  354    HG   SER  47           HG       SER  47  -6.078  -2.562  12.189
  355    H    MET  48           H        MET  48  -5.848  -0.787   9.679
  356    HA   MET  48           HA       MET  48  -3.938  -1.121   7.778
  357   1HB   MET  48          2HB       MET  48  -2.335   0.058   9.264
  358   2HB   MET  48          3HB       MET  48  -3.880   0.866   9.021
  359   1HG   MET  48          2HG       MET  48  -3.602  -0.928  11.398
  360   2HG   MET  48          3HG       MET  48  -2.756   0.612  11.443
  361   1HE   MET  48          1HE       MET  48  -5.084  -0.600  13.412
  362   2HE   MET  48          2HE       MET  48  -4.159   0.883  13.755
  363   3HE   MET  48          3HE       MET  48  -5.940   0.911  13.793
  364    H    ASP  49           H        ASP  49  -4.054  -2.902  10.862
  365    HA   ASP  49           HA       ASP  49  -1.459  -3.958  10.911
  366   1HB   ASP  49          2HB       ASP  49  -3.955  -5.520  11.716
  367   2HB   ASP  49          3HB       ASP  49  -2.356  -5.539  12.464
  368    H    THR  50           H        THR  50  -4.389  -5.138   9.287
  369    HA   THR  50           HA       THR  50  -3.178  -7.632   8.393
  370    HB   THR  50           HB       THR  50  -5.808  -6.326   7.568
  371    HG1  THR  50           1HG      THR  50  -5.437  -6.769   9.898
  372   1HG2  THR  50          1HG2      THR  50  -6.446  -8.746   7.216
  373   2HG2  THR  50          2HG2      THR  50  -5.171  -8.194   6.099
  374   3HG2  THR  50          3HG2      THR  50  -4.762  -9.196   7.508
  375    H    LEU  51           H        LEU  51  -3.808  -4.378   7.102
  376    HA   LEU  51           HA       LEU  51  -3.032  -4.926   4.371
  377   1HB   LEU  51          2HB       LEU  51  -2.827  -2.346   5.982
  378   2HB   LEU  51          3HB       LEU  51  -2.463  -2.556   4.277
  379    HG   LEU  51           HG       LEU  51  -5.146  -2.623   5.689
  380   1HD1  LEU  51          1HD1      LEU  51  -3.957  -1.267   3.236
  381   2HD1  LEU  51          2HD1      LEU  51  -5.580  -0.930   3.901
  382   3HD1  LEU  51          3HD1      LEU  51  -4.121  -0.519   4.832
  383   1HD2  LEU  51          1HD2      LEU  51  -6.189  -3.264   3.509
  384   2HD2  LEU  51          2HD2      LEU  51  -4.584  -3.692   2.879
  385   3HD2  LEU  51          3HD2      LEU  51  -5.295  -4.599   4.240
  386    H    LEU  52           H        LEU  52  -1.223  -3.319   7.018
  387    HA   LEU  52           HA       LEU  52   1.266  -3.107   6.156
  388   1HB   LEU  52          2HB       LEU  52   0.125  -3.784   8.822
  389   2HB   LEU  52          3HB       LEU  52   1.777  -4.298   8.559
  390    HG   LEU  52           HG       LEU  52   2.176  -1.826   7.731
  391   1HD1  LEU  52          1HD1      LEU  52  -0.195  -1.508   9.642
  392   2HD1  LEU  52          2HD1      LEU  52   0.756  -0.206   8.912
  393   3HD1  LEU  52          3HD1      LEU  52  -0.275  -1.226   7.891
  394   1HD2  LEU  52          1HD2      LEU  52   2.745  -1.208  10.042
  395   2HD2  LEU  52          2HD2      LEU  52   1.823  -2.607  10.642
  396   3HD2  LEU  52          3HD2      LEU  52   3.269  -2.851   9.632
  397    H    ALA  53           H        ALA  53   0.274  -6.209   7.789
  398    HA   ALA  53           HA       ALA  53   2.749  -7.392   7.084
  399   1HB   ALA  53          1HB       ALA  53   1.696  -9.528   7.834
  400   2HB   ALA  53          2HB       ALA  53   1.290  -8.198   8.938
  401   3HB   ALA  53          3HB       ALA  53   0.091  -8.767   7.755
  402    H    THR  54           H        THR  54  -0.191  -7.104   5.113
  403    HA   THR  54           HA       THR  54   0.701  -9.090   3.174
  404    HB   THR  54           HB       THR  54  -1.443  -6.918   3.004
  405    HG1  THR  54           1HG      THR  54  -2.039  -8.212   4.644
  406   1HG2  THR  54          1HG2      THR  54  -2.365  -8.593   1.354
  407   2HG2  THR  54          2HG2      THR  54  -0.919  -7.713   0.829
  408   3HG2  THR  54          3HG2      THR  54  -0.793  -9.405   1.395
  409    H    LEU  55           H        LEU  55   0.688  -5.522   3.558
  410    HA   LEU  55           HA       LEU  55   1.623  -4.897   0.971
  411   1HB   LEU  55          2HB       LEU  55   0.678  -3.561   3.321
  412   2HB   LEU  55          3HB       LEU  55   2.289  -2.910   2.984
  413    HG   LEU  55           HG       LEU  55  -0.204  -2.835   1.312
  414   1HD1  LEU  55          1HD1      LEU  55  -0.171  -1.192   3.047
  415   2HD1  LEU  55          2HD1      LEU  55   1.545  -0.844   2.835
  416   3HD1  LEU  55          3HD1      LEU  55   0.418  -0.304   1.619
  417   1HD2  LEU  55          1HD2      LEU  55   1.556  -3.166  -0.282
  418   2HD2  LEU  55          2HD2      LEU  55   1.146  -1.443  -0.259
  419   3HD2  LEU  55          3HD2      LEU  55   2.623  -2.015   0.564
  420    H    LYS  56           H        LYS  56   3.178  -5.550   4.062
  421    HA   LYS  56           HA       LYS  56   5.860  -4.933   3.637
  422   1HB   LYS  56          2HB       LYS  56   4.424  -7.103   5.205
  423   2HB   LYS  56          3HB       LYS  56   6.178  -7.061   5.090
  424   1HG   LYS  56          2HG       LYS  56   6.135  -4.689   5.942
  425   2HG   LYS  56          3HG       LYS  56   4.428  -4.786   6.142
  426   1HD   LYS  56          2HD       LYS  56   5.462  -5.114   8.287
  427   2HD   LYS  56          3HD       LYS  56   4.714  -6.627   7.807
  428   1HE   LYS  56          2HE       LYS  56   6.907  -6.990   8.850
  429   2HE   LYS  56          3HE       LYS  56   6.884  -7.594   7.195
  430   1HZ   LYS  56          1HZ       LYS  56   8.888  -6.370   7.708
  431   2HZ   LYS  56          2HZ       LYS  56   8.055  -5.613   6.514
  432   3HZ   LYS  56          3HZ       LYS  56   8.032  -5.010   8.048
  433    H    LYS  57           H        LYS  57   3.989  -7.500   2.096
  434    HA   LYS  57           HA       LYS  57   6.232  -9.132   1.352
  435   1HB   LYS  57          2HB       LYS  57   3.556  -8.802  -0.023
  436   2HB   LYS  57          3HB       LYS  57   4.684 -10.135  -0.269
  437   1HG   LYS  57          2HG       LYS  57   3.336  -9.498   2.403
  438   2HG   LYS  57          3HG       LYS  57   2.724 -10.642   1.212
  439   1HD   LYS  57          2HD       LYS  57   4.747 -12.008   1.428
  440   2HD   LYS  57          3HD       LYS  57   5.450 -10.876   2.589
  441   1HE   LYS  57          2HE       LYS  57   2.797 -12.356   2.999
  442   2HE   LYS  57          3HE       LYS  57   4.356 -12.919   3.612
  443   1HZ   LYS  57          1HZ       LYS  57   4.518 -10.934   4.934
  444   2HZ   LYS  57          2HZ       LYS  57   3.080 -10.353   4.409
  445   3HZ   LYS  57          3HZ       LYS  57   3.131 -11.734   5.280
  446    H    THR  58           H        THR  58   5.232  -5.996   0.181
  447    HA   THR  58           HA       THR  58   6.602  -5.901  -2.360
  448    HB   THR  58           HB       THR  58   6.927  -3.535  -1.799
  449    HG1  THR  58           1HG      THR  58   5.628  -3.950   0.649
  450   1HG2  THR  58          1HG2      THR  58   4.497  -2.990  -1.275
  451   2HG2  THR  58          2HG2      THR  58   4.830  -3.980  -2.727
  452   3HG2  THR  58          3HG2      THR  58   4.198  -4.730  -1.258
  453    H    GLY  59           H        GLY  59   7.630  -5.722   1.015
  454   1HA   GLY  59          2HA       GLY  59   9.567  -5.798   2.055
  455   2HA   GLY  59          3HA       GLY  59  10.276  -6.692   0.683
  456    H    LYS  60           H        LYS  60   8.864  -3.417   0.604
  457    HA   LYS  60           HA       LYS  60  11.559  -2.198   0.124
  458   1HB   LYS  60          2HB       LYS  60   8.868  -1.113  -0.699
  459   2HB   LYS  60          3HB       LYS  60  10.465  -0.587  -1.220
  460   1HG   LYS  60          2HG       LYS  60  10.818  -2.879  -2.311
  461   2HG   LYS  60          3HG       LYS  60   9.134  -3.228  -1.958
  462   1HD   LYS  60          2HD       LYS  60   9.020  -2.494  -4.154
  463   2HD   LYS  60          3HD       LYS  60   8.554  -1.063  -3.219
  464   1HE   LYS  60          2HE       LYS  60  11.219  -0.592  -3.293
  465   2HE   LYS  60          3HE       LYS  60  11.162  -1.630  -4.714
  466   1HZ   LYS  60          1HZ       LYS  60  10.944   0.872  -4.869
  467   2HZ   LYS  60          2HZ       LYS  60   9.852   0.048  -5.811
  468   3HZ   LYS  60          3HZ       LYS  60   9.430   0.739  -4.370
  469    H    THR  61           H        THR  61  10.920   0.426   0.556
  470    HA   THR  61           HA       THR  61  10.777   0.539   3.345
  471    HB   THR  61           HB       THR  61  10.582   2.883   1.534
  472    HG1  THR  61           1HG      THR  61  12.913   1.321   1.898
  473   1HG2  THR  61          1HG2      THR  61  12.278   3.851   3.061
  474   2HG2  THR  61          2HG2      THR  61  10.846   3.332   3.965
  475   3HG2  THR  61          3HG2      THR  61  12.319   2.339   3.991
  476    H    VAL  62           H        VAL  62   8.398  -0.571   2.955
  477    HA   VAL  62           HA       VAL  62   6.291   1.387   2.529
  478    HB   VAL  62           HB       VAL  62   5.879  -0.663   1.648
  479   1HG1  VAL  62          1HG1      VAL  62   5.573  -2.760   2.894
  480   2HG1  VAL  62          2HG1      VAL  62   7.252  -2.224   2.958
  481   3HG1  VAL  62          3HG1      VAL  62   6.190  -1.999   4.369
  482   1HG2  VAL  62          1HG2      VAL  62   4.117  -0.588   4.121
  483   2HG2  VAL  62          2HG2      VAL  62   3.941   0.510   2.736
  484   3HG2  VAL  62          3HG2      VAL  62   3.748  -1.232   2.512
  485    H    SER  63           H        SER  63   6.297   2.889   3.928
  486    HA   SER  63           HA       SER  63   6.543   2.386   6.857
  487   1HB   SER  63          2HB       SER  63   6.941   4.949   5.275
  488   2HB   SER  63          3HB       SER  63   7.433   4.620   6.946
  489    HG   SER  63           HG       SER  63   8.410   3.366   4.566
  490    H    TYR  64           H        TYR  64   4.623   2.488   7.940
  491    HA   TYR  64           HA       TYR  64   2.235   3.447   6.624
  492   1HB   TYR  64          2HB       TYR  64   2.274   1.421   7.989
  493   2HB   TYR  64          3HB       TYR  64   2.772   2.348   9.404
  494    HD1  TYR  64           HD1      TYR  64   1.042   2.465  10.994
  495    HD2  TYR  64           HD2      TYR  64   0.043   2.714   6.805
  496    HE1  TYR  64           HE1      TYR  64  -1.329   2.847  11.577
  497    HE2  TYR  64           HE2      TYR  64  -2.295   3.164   7.395
  498    HH   TYR  64           HH       TYR  64  -3.489   3.155  10.759
  499    H    LEU  65           H        LEU  65   0.958   5.210   7.126
  500    HA   LEU  65           HA       LEU  65   2.023   7.283   8.987
  501   1HB   LEU  65          2HB       LEU  65   0.425   7.556   6.440
  502   2HB   LEU  65          3HB       LEU  65   0.607   8.831   7.642
  503    HG   LEU  65           HG       LEU  65   3.218   8.231   7.421
  504   1HD1  LEU  65          1HD1      LEU  65   3.812   7.738   5.131
  505   2HD1  LEU  65          2HD1      LEU  65   2.826   6.425   5.778
  506   3HD1  LEU  65          3HD1      LEU  65   2.098   7.600   4.659
  507   1HD2  LEU  65          1HD2      LEU  65   2.252  10.411   7.122
  508   2HD2  LEU  65          2HD2      LEU  65   3.391  10.063   5.801
  509   3HD2  LEU  65          3HD2      LEU  65   1.635   9.966   5.509
  510    H    GLY  66           H        GLY  66  -0.079   8.730   9.603
  511   1HA   GLY  66          2HA       GLY  66  -1.396   7.248  11.567
  512   2HA   GLY  66          3HA       GLY  66  -1.891   8.844  10.982
  513    H    LEU  67           H        LEU  67  -3.580   6.771  11.893
  514    HA   LEU  67           HA       LEU  67  -5.130   5.685   9.651
  515   1HB   LEU  67          2HB       LEU  67  -4.981   4.429  11.747
  516   2HB   LEU  67          3HB       LEU  67  -5.432   5.859  12.676
  517    HG   LEU  67           HG       LEU  67  -7.728   5.784  11.696
  518   1HD1  LEU  67          1HD1      LEU  67  -8.448   3.686  10.598
  519   2HD1  LEU  67          2HD1      LEU  67  -7.260   4.536   9.598
  520   3HD1  LEU  67          3HD1      LEU  67  -6.771   3.123  10.559
  521   1HD2  LEU  67          1HD2      LEU  67  -7.214   4.789  13.881
  522   2HD2  LEU  67          2HD2      LEU  67  -8.449   3.850  13.027
  523   3HD2  LEU  67          3HD2      LEU  67  -6.777   3.257  13.095
  524    H    GLU  68           H        GLU  68  -7.093   6.666   8.914
  525    HA   GLU  68           HA       GLU  68  -8.161   8.963  10.502
  526   1HB   GLU  68          2HB       GLU  68  -8.598   8.637   7.531
  527   2HB   GLU  68          3HB       GLU  68  -9.037   9.987   8.558
  528   1HG   GLU  68          2HG       GLU  68  -6.678  10.629   8.814
  529   2HG   GLU  68          3HG       GLU  68  -6.161   9.213   7.883
  Start of MODEL   30
    1   1H    MET   1           H1       MET   1  -9.776   2.841  11.328
    2   2H    MET   1           H2       MET   1  -8.136   2.716  11.393
    3   3H    MET   1           H3       MET   1  -8.873   3.497  10.131
    4    HA   MET   1           HA       MET   1  -7.967   1.090   9.902
    5   1HB   MET   1          2HB       MET   1 -10.710   0.734  11.160
    6   2HB   MET   1          3HB       MET   1  -9.965  -0.464  10.092
    7   1HG   MET   1          2HG       MET   1  -7.992  -0.595  11.561
    8   2HG   MET   1          3HG       MET   1  -8.741   0.564  12.677
    9   1HE   MET   1          1HE       MET   1  -8.820  -2.781  14.678
   10   2HE   MET   1          2HE       MET   1  -7.549  -2.226  13.564
   11   3HE   MET   1          3HE       MET   1  -8.322  -1.072  14.682
   12    HA   PRO   2           HA       PRO   2 -11.407   1.402   6.748
   13   1HB   PRO   2          2HB       PRO   2 -13.012   3.553   6.466
   14   2HB   PRO   2          3HB       PRO   2 -13.213   2.204   7.665
   15   1HG   PRO   2          2HG       PRO   2 -12.007   4.795   8.386
   16   2HG   PRO   2          3HG       PRO   2 -13.458   4.020   9.086
   17   1HD   PRO   2          2HD       PRO   2 -11.140   3.569  10.183
   18   2HD   PRO   2          3HD       PRO   2 -12.186   2.159   9.898
   19    H    LYS   3           H        LYS   3  -9.571   4.386   7.542
   20    HA   LYS   3           HA       LYS   3  -8.556   4.335   4.716
   21   1HB   LYS   3          2HB       LYS   3  -8.577   6.730   6.558
   22   2HB   LYS   3          3HB       LYS   3  -8.142   6.674   4.845
   23   1HG   LYS   3          2HG       LYS   3 -10.480   6.116   4.250
   24   2HG   LYS   3          3HG       LYS   3 -10.918   6.085   5.956
   25   1HD   LYS   3          2HD       LYS   3  -9.788   8.605   5.781
   26   2HD   LYS   3          3HD       LYS   3 -10.454   8.411   4.157
   27   1HE   LYS   3          2HE       LYS   3 -12.196   9.413   5.497
   28   2HE   LYS   3          3HE       LYS   3 -12.661   7.718   5.269
   29   1HZ   LYS   3          1HZ       LYS   3 -11.500   7.396   7.539
   30   2HZ   LYS   3          2HZ       LYS   3 -11.530   8.997   7.686
   31   3HZ   LYS   3          3HZ       LYS   3 -12.932   8.208   7.570
   32    H    HIS   4           H        HIS   4  -6.279   4.222   4.550
   33    HA   HIS   4           HA       HIS   4  -4.669   4.920   6.857
   34   1HB   HIS   4          2HB       HIS   4  -3.472   2.517   6.499
   35   2HB   HIS   4          3HB       HIS   4  -4.554   2.964   7.798
   36    HD1  HIS   4           1HD      HIS   4  -6.350   2.134   4.550
   37    HD2  HIS   4           2HD      HIS   4  -5.042   0.355   8.108
   38    HE1  HIS   4           1HE      HIS   4  -7.558  -0.091   4.726
   39    H    GLU   5           H        GLU   5  -3.158   6.170   6.046
   40    HA   GLU   5           HA       GLU   5  -2.306   5.850   3.265
   41   1HB   GLU   5          2HB       GLU   5  -1.329   7.682   5.426
   42   2HB   GLU   5          3HB       GLU   5  -0.693   7.610   3.784
   43   1HG   GLU   5          2HG       GLU   5  -3.183   8.184   3.124
   44   2HG   GLU   5          3HG       GLU   5  -3.294   8.733   4.805
   45    H    PHE   6           H        PHE   6  -0.404   4.885   2.521
   46    HA   PHE   6           HA       PHE   6   1.759   4.407   4.496
   47   1HB   PHE   6          2HB       PHE   6   1.048   2.559   2.216
   48   2HB   PHE   6          3HB       PHE   6   2.397   2.375   3.338
   49    HD1  PHE   6           1HD      PHE   6  -1.316   2.345   3.058
   50    HD2  PHE   6           2HD      PHE   6   2.042   1.453   5.589
   51    HE1  PHE   6           1HE      PHE   6  -2.817   1.133   4.604
   52    HE2  PHE   6           2HE      PHE   6   0.523   0.275   7.167
   53    HZ   PHE   6           HZ       PHE   6  -1.892   0.058   6.651
   54    H    SER   7           H        SER   7   3.727   5.091   3.865
   55    HA   SER   7           HA       SER   7   3.970   6.161   1.079
   56   1HB   SER   7          2HB       SER   7   4.447   7.877   2.788
   57   2HB   SER   7          3HB       SER   7   5.755   6.848   3.413
   58    HG   SER   7           HG       SER   7   5.649   7.523   0.640
   59    H    VAL   8           H        VAL   8   5.793   5.401  -0.110
   60    HA   VAL   8           HA       VAL   8   6.946   2.854   0.850
   61    HB   VAL   8           HB       VAL   8   5.324   3.023  -1.733
   62   1HG1  VAL   8          1HG1      VAL   8   6.851   1.119  -1.766
   63   2HG1  VAL   8          2HG1      VAL   8   6.407   0.693  -0.093
   64   3HG1  VAL   8          3HG1      VAL   8   5.254   0.518  -1.429
   65   1HG2  VAL   8          1HG2      VAL   8   3.696   3.314   0.082
   66   2HG2  VAL   8          2HG2      VAL   8   3.620   1.631  -0.435
   67   3HG2  VAL   8          3HG2      VAL   8   4.488   2.040   1.036
   68    H    ASP   9           H        ASP   9   8.322   2.097  -1.216
   69    HA   ASP   9           HA       ASP   9   9.630   4.447  -2.497
   70   1HB   ASP   9          2HB       ASP   9  11.467   3.344  -1.458
   71   2HB   ASP   9          3HB       ASP   9  10.835   1.736  -1.836
   72    H    MET  10           H        MET  10   9.476   4.404  -4.682
   73    HA   MET  10           HA       MET  10   8.811   1.920  -6.032
   74   1HB   MET  10          2HB       MET  10   7.471   4.583  -6.674
   75   2HB   MET  10          3HB       MET  10   7.409   3.116  -7.663
   76   1HG   MET  10          2HG       MET  10   5.420   3.253  -6.477
   77   2HG   MET  10          3HG       MET  10   6.286   1.926  -5.711
   78   1HE   MET  10          1HE       MET  10   3.578   3.825  -5.073
   79   2HE   MET  10          2HE       MET  10   3.966   2.355  -4.137
   80   3HE   MET  10          3HE       MET  10   3.697   3.913  -3.309
   81    H    THR  11           H        THR  11  10.900   1.647  -6.725
   82    HA   THR  11           HA       THR  11  12.485   3.772  -7.839
   83    HB   THR  11           HB       THR  11  13.728   1.507  -8.617
   84    HG1  THR  11           1HG      THR  11  12.069   0.108  -8.016
   85   1HG2  THR  11          1HG2      THR  11  14.774   1.421  -6.352
   86   2HG2  THR  11          2HG2      THR  11  14.659   3.065  -7.009
   87   3HG2  THR  11          3HG2      THR  11  13.521   2.533  -5.760
   88    H    CYS  12           HN       CYS  12   9.905   1.749  -9.115
   89    HA   CYS  12           HA       CYS  12  10.104   3.123 -11.631
   90   1HB   CYS  12          2HB       CYS  12  10.208   1.124 -13.029
   91   2HB   CYS  12          3HB       CYS  12  11.636   1.183 -12.002
   92    H    GLY  13           H        GLY  13   8.119   2.549 -12.912
   93   1HA   GLY  13          2HA       GLY  13   5.664   2.622 -11.610
   94   2HA   GLY  13          3HA       GLY  13   5.932   1.930 -13.216
   95    H    GLY  14           H        GLY  14   7.598  -0.169 -12.621
   96   1HA   GLY  14          2HA       GLY  14   5.999  -2.300 -12.132
   97   2HA   GLY  14          3HA       GLY  14   7.753  -2.290 -11.880
   98    H    CYS  15           HN       CYS  15   7.667  -0.340  -9.609
   99    HA   CYS  15           HA       CYS  15   7.154  -2.250  -7.478
  100   1HB   CYS  15          2HB       CYS  15   7.723   0.707  -7.501
  101   2HB   CYS  15          3HB       CYS  15   7.580  -0.261  -6.023
  102    H    ALA  16           H        ALA  16   5.382   0.574  -8.820
  103    HA   ALA  16           HA       ALA  16   3.305   0.557  -6.781
  104   1HB   ALA  16          1HB       ALA  16   3.353   1.724  -9.599
  105   2HB   ALA  16          2HB       ALA  16   2.076   1.969  -8.400
  106   3HB   ALA  16          3HB       ALA  16   3.709   2.572  -8.075
  107    H    GLU  17           H        GLU  17   3.678  -0.763 -10.092
  108    HA   GLU  17           HA       GLU  17   1.200  -2.086 -10.330
  109   1HB   GLU  17          2HB       GLU  17   3.951  -2.931 -11.318
  110   2HB   GLU  17          3HB       GLU  17   2.431  -3.620 -11.879
  111   1HG   GLU  17          2HG       GLU  17   1.750  -1.592 -12.922
  112   2HG   GLU  17          3HG       GLU  17   2.971  -0.626 -12.091
  113    H    ALA  18           H        ALA  18   4.300  -3.375  -9.056
  114    HA   ALA  18           HA       ALA  18   3.532  -5.937  -8.219
  115   1HB   ALA  18          1HB       ALA  18   5.541  -4.066  -6.924
  116   2HB   ALA  18          2HB       ALA  18   5.411  -5.811  -6.671
  117   3HB   ALA  18          3HB       ALA  18   5.858  -5.184  -8.271
  118    H    VAL  19           H        VAL  19   3.526  -2.855  -6.288
  119    HA   VAL  19           HA       VAL  19   2.423  -3.897  -3.944
  120    HB   VAL  19           HB       VAL  19   2.286  -1.177  -5.310
  121   1HG1  VAL  19          1HG1      VAL  19   0.943  -2.200  -2.831
  122   2HG1  VAL  19          2HG1      VAL  19   1.335  -0.466  -3.041
  123   3HG1  VAL  19          3HG1      VAL  19   0.233  -1.242  -4.175
  124   1HG2  VAL  19          1HG2      VAL  19   3.544  -1.973  -2.659
  125   2HG2  VAL  19          2HG2      VAL  19   4.448  -1.919  -4.193
  126   3HG2  VAL  19          3HG2      VAL  19   3.723  -0.447  -3.539
  127    H    SER  20           H        SER  20   0.775  -2.599  -6.873
  128    HA   SER  20           HA       SER  20  -1.818  -2.936  -5.841
  129   1HB   SER  20          2HB       SER  20  -0.733  -1.972  -8.236
  130   2HB   SER  20          3HB       SER  20  -1.501  -3.447  -8.797
  131    HG   SER  20           HG       SER  20  -3.352  -2.474  -7.367
  132    H    ARG  21           H        ARG  21   0.159  -5.341  -7.688
  133    HA   ARG  21           HA       ARG  21  -1.647  -7.385  -7.887
  134   1HB   ARG  21          2HB       ARG  21   1.248  -7.850  -7.139
  135   2HB   ARG  21          3HB       ARG  21   0.158  -8.707  -8.198
  136   1HG   ARG  21          2HG       ARG  21   0.135  -6.605  -9.676
  137   2HG   ARG  21          3HG       ARG  21   1.555  -6.269  -8.648
  138   1HD   ARG  21          2HD       ARG  21   1.296  -8.735 -10.393
  139   2HD   ARG  21          3HD       ARG  21   2.095  -7.221 -10.868
  140    HE   ARG  21           HE       ARG  21   3.020  -8.381  -8.334
  141   1HH1  ARG  21          2HH2      ARG  21   3.553  -8.312 -11.828
  142   2HH1  ARG  21          1HH2      ARG  21   5.251  -8.647 -11.740
  143   1HH2  ARG  21          2HH1      ARG  21   5.276  -8.857  -8.183
  144   2HH2  ARG  21          1HH1      ARG  21   6.237  -9.004  -9.616
  145    H    VAL  22           H        VAL  22   0.544  -6.430  -5.323
  146    HA   VAL  22           HA       VAL  22   0.291  -8.669  -3.591
  147    HB   VAL  22           HB       VAL  22   1.807  -6.212  -3.843
  148   1HG1  VAL  22          1HG1      VAL  22   0.579  -5.179  -2.004
  149   2HG1  VAL  22          2HG1      VAL  22   0.755  -6.650  -1.009
  150   3HG1  VAL  22          3HG1      VAL  22   2.162  -5.675  -1.439
  151   1HG2  VAL  22          1HG2      VAL  22   2.174  -8.587  -2.044
  152   2HG2  VAL  22          2HG2      VAL  22   2.720  -8.420  -3.737
  153   3HG2  VAL  22          3HG2      VAL  22   3.391  -7.352  -2.483
  154    H    LEU  23           H        LEU  23  -1.114  -5.435  -3.542
  155    HA   LEU  23           HA       LEU  23  -2.767  -5.929  -1.214
  156   1HB   LEU  23          2HB       LEU  23  -2.377  -3.741  -3.227
  157   2HB   LEU  23          3HB       LEU  23  -3.899  -3.724  -2.427
  158    HG   LEU  23           HG       LEU  23  -1.132  -3.770  -1.100
  159   1HD1  LEU  23          1HD1      LEU  23  -3.151  -1.506  -1.401
  160   2HD1  LEU  23          2HD1      LEU  23  -1.547  -1.408  -0.642
  161   3HD1  LEU  23          3HD1      LEU  23  -1.679  -1.674  -2.388
  162   1HD2  LEU  23          1HD2      LEU  23  -3.917  -3.326   0.004
  163   2HD2  LEU  23          2HD2      LEU  23  -2.886  -4.712   0.412
  164   3HD2  LEU  23          3HD2      LEU  23  -2.415  -3.113   0.945
  165    H    ASN  24           H        ASN  24  -3.331  -6.074  -4.785
  166    HA   ASN  24           HA       ASN  24  -6.092  -6.602  -4.544
  167   1HB   ASN  24          2HB       ASN  24  -5.049  -6.160  -6.711
  168   2HB   ASN  24          3HB       ASN  24  -4.161  -7.690  -6.625
  169   1HD2  ASN  24          1HD2      ASN  24  -7.388  -7.970  -5.254
  170   2HD2  ASN  24          2HD2      ASN  24  -8.076  -8.684  -6.692
  171    H    LYS  25           H        LYS  25  -3.276  -8.819  -4.344
  172    HA   LYS  25           HA       LYS  25  -4.643 -11.204  -3.906
  173   1HB   LYS  25          2HB       LYS  25  -2.013 -10.506  -3.882
  174   2HB   LYS  25          3HB       LYS  25  -2.268 -10.648  -2.153
  175   1HG   LYS  25          2HG       LYS  25  -1.513 -12.766  -2.821
  176   2HG   LYS  25          3HG       LYS  25  -3.252 -12.956  -2.552
  177   1HD   LYS  25          2HD       LYS  25  -3.607 -12.739  -5.047
  178   2HD   LYS  25          3HD       LYS  25  -1.855 -12.571  -5.251
  179   1HE   LYS  25          2HE       LYS  25  -1.521 -14.842  -4.294
  180   2HE   LYS  25          3HE       LYS  25  -3.262 -14.988  -3.999
  181   1HZ   LYS  25          1HZ       LYS  25  -2.007 -14.742  -6.653
  182   2HZ   LYS  25          2HZ       LYS  25  -2.613 -16.119  -5.992
  183   3HZ   LYS  25          3HZ       LYS  25  -3.623 -14.880  -6.365
  184    H    LEU  26           H        LEU  26  -4.091  -8.602  -1.577
  185    HA   LEU  26           HA       LEU  26  -5.140  -9.845   0.775
  186   1HB   LEU  26          2HB       LEU  26  -4.010  -7.532   0.540
  187   2HB   LEU  26          3HB       LEU  26  -5.567  -6.948  -0.023
  188    HG   LEU  26           HG       LEU  26  -5.280  -6.277   2.130
  189   1HD1  LEU  26          1HD1      LEU  26  -7.552  -7.092   1.213
  190   2HD1  LEU  26          2HD1      LEU  26  -7.383  -8.421   2.386
  191   3HD1  LEU  26          3HD1      LEU  26  -7.388  -6.735   2.939
  192   1HD2  LEU  26          1HD2      LEU  26  -5.104  -9.147   3.069
  193   2HD2  LEU  26          2HD2      LEU  26  -3.804  -7.926   3.054
  194   3HD2  LEU  26          3HD2      LEU  26  -5.231  -7.682   4.075
  195    H    GLY  27           H        GLY  27  -6.725  -7.935  -1.810
  196   1HA   GLY  27          2HA       GLY  27  -8.597  -9.237  -2.847
  197   2HA   GLY  27          3HA       GLY  27  -9.327  -9.327  -1.249
  198    H    GLY  28           H        GLY  28 -10.323  -7.583  -0.321
  199   1HA   GLY  28          2HA       GLY  28 -11.899  -6.151  -2.141
  200   2HA   GLY  28          3HA       GLY  28 -11.826  -5.856  -0.396
  201    H    VAL  29           H        VAL  29  -9.296  -5.067  -0.055
  202    HA   VAL  29           HA       VAL  29  -9.121  -2.504   0.150
  203    HB   VAL  29           HB       VAL  29  -6.645  -2.563  -0.325
  204   1HG1  VAL  29          1HG1      VAL  29  -7.743  -4.918   1.243
  205   2HG1  VAL  29          2HG1      VAL  29  -6.089  -4.301   1.342
  206   3HG1  VAL  29          3HG1      VAL  29  -7.439  -3.286   1.874
  207   1HG2  VAL  29          1HG2      VAL  29  -7.163  -5.464  -1.128
  208   2HG2  VAL  29          2HG2      VAL  29  -6.587  -4.198  -2.226
  209   3HG2  VAL  29          3HG2      VAL  29  -5.592  -4.687  -0.868
  210    H    LYS  30           H        LYS  30  -9.277  -0.588  -0.976
  211    HA   LYS  30           HA       LYS  30  -8.289  -0.552  -3.770
  212   1HB   LYS  30          2HB       LYS  30 -10.823   0.762  -2.738
  213   2HB   LYS  30          3HB       LYS  30  -9.981   1.281  -4.200
  214   1HG   LYS  30          2HG       LYS  30 -11.148  -1.497  -3.732
  215   2HG   LYS  30          3HG       LYS  30 -11.881  -0.192  -4.639
  216   1HD   LYS  30          2HD       LYS  30 -10.993  -1.106  -6.461
  217   2HD   LYS  30          3HD       LYS  30  -9.540  -0.232  -6.008
  218   1HE   LYS  30          2HE       LYS  30  -9.336  -2.663  -6.775
  219   2HE   LYS  30          3HE       LYS  30  -8.415  -2.192  -5.360
  220   1HZ   LYS  30          1HZ       LYS  30  -9.930  -3.305  -3.962
  221   2HZ   LYS  30          2HZ       LYS  30 -11.035  -3.558  -5.159
  222   3HZ   LYS  30          3HZ       LYS  30  -9.581  -4.339  -5.158
  223    H    TYR  31           H        TYR  31  -7.234   1.475  -4.240
  224    HA   TYR  31           HA       TYR  31  -6.475   3.035  -1.942
  225   1HB   TYR  31          2HB       TYR  31  -4.008   2.196  -2.294
  226   2HB   TYR  31          3HB       TYR  31  -5.108   1.213  -1.357
  227    HD1  TYR  31           HD1      TYR  31  -2.894   1.140  -4.150
  228    HD2  TYR  31           HD2      TYR  31  -6.137  -0.879  -2.200
  229    HE1  TYR  31           HE1      TYR  31  -2.609  -0.793  -5.667
  230    HE2  TYR  31           HE2      TYR  31  -5.994  -2.723  -3.844
  231    HH   TYR  31           HH       TYR  31  -4.746  -3.653  -5.569
  232    H    ASP  32           H        ASP  32  -4.970   4.689  -2.485
  233    HA   ASP  32           HA       ASP  32  -5.039   5.476  -5.351
  234   1HB   ASP  32          2HB       ASP  32  -5.869   7.191  -3.667
  235   2HB   ASP  32          3HB       ASP  32  -4.266   7.160  -2.929
  236    H    ILE  33           H        ILE  33  -2.977   6.018  -6.253
  237    HA   ILE  33           HA       ILE  33  -0.660   4.546  -5.083
  238    HB   ILE  33           HB       ILE  33  -2.103   4.183  -7.734
  239   1HG1  ILE  33          2HG1      ILE  33  -1.332   2.132  -5.617
  240   2HG1  ILE  33          3HG1      ILE  33  -2.917   2.941  -5.634
  241   1HG2  ILE  33          1HG2      ILE  33  -0.300   2.502  -8.227
  242   2HG2  ILE  33          2HG2      ILE  33   0.253   4.177  -8.211
  243   3HG2  ILE  33          3HG2      ILE  33   0.587   3.133  -6.810
  244   1HD1  ILE  33          1HD1      ILE  33  -1.979   0.940  -7.661
  245   2HD1  ILE  33          2HD1      ILE  33  -3.533   1.068  -6.801
  246   3HD1  ILE  33          3HD1      ILE  33  -3.174   2.185  -8.094
  247    H    ASP  34           H        ASP  34   0.393   6.487  -4.752
  248    HA   ASP  34           HA       ASP  34   0.691   8.339  -7.089
  249   1HB   ASP  34          2HB       ASP  34   0.034   9.316  -4.894
  250   2HB   ASP  34          3HB       ASP  34   1.605   8.783  -4.251
  251    H    LEU  35           H        LEU  35   2.331   7.824  -8.348
  252    HA   LEU  35           HA       LEU  35   4.656   6.304  -7.426
  253   1HB   LEU  35          2HB       LEU  35   3.642   7.328 -10.055
  254   2HB   LEU  35          3HB       LEU  35   5.385   7.138  -9.865
  255    HG   LEU  35           HG       LEU  35   3.462   4.904  -9.096
  256   1HD1  LEU  35          1HD1      LEU  35   2.930   5.483 -11.438
  257   2HD1  LEU  35          2HD1      LEU  35   4.649   5.315 -11.872
  258   3HD1  LEU  35          3HD1      LEU  35   3.724   3.903 -11.318
  259   1HD2  LEU  35          1HD2      LEU  35   5.893   4.752  -8.429
  260   2HD2  LEU  35          2HD2      LEU  35   5.402   3.442  -9.510
  261   3HD2  LEU  35          3HD2      LEU  35   6.340   4.805 -10.140
  262    HA   PRO  36           HA       PRO  36   7.037  10.326  -8.414
  263   1HB   PRO  36          2HB       PRO  36   5.667  12.765  -8.168
  264   2HB   PRO  36          3HB       PRO  36   6.102  11.928  -9.684
  265   1HG   PRO  36          2HG       PRO  36   3.491  11.821  -8.179
  266   2HG   PRO  36          3HG       PRO  36   3.738  11.997  -9.938
  267   1HD   PRO  36          2HD       PRO  36   3.096   9.635  -8.894
  268   2HD   PRO  36          3HD       PRO  36   4.357   9.696 -10.153
  269    H    ASN  37           H        ASN  37   4.396  10.480  -6.053
  270    HA   ASN  37           HA       ASN  37   6.234  11.593  -3.959
  271   1HB   ASN  37          2HB       ASN  37   3.238  11.076  -3.786
  272   2HB   ASN  37          3HB       ASN  37   4.246  11.750  -2.540
  273   1HD2  ASN  37          1HD2      ASN  37   2.288  12.652  -5.187
  274   2HD2  ASN  37          2HD2      ASN  37   2.862  14.315  -5.308
  275    H    LYS  38           H        LYS  38   5.361   8.561  -5.148
  276    HA   LYS  38           HA       LYS  38   5.409   6.503  -4.408
  277   1HB   LYS  38          2HB       LYS  38   7.527   7.546  -2.476
  278   2HB   LYS  38          3HB       LYS  38   7.220   5.876  -2.962
  279   1HG   LYS  38          2HG       LYS  38   8.993   6.353  -4.284
  280   2HG   LYS  38          3HG       LYS  38   7.630   6.631  -5.378
  281   1HD   LYS  38          2HD       LYS  38   7.846   9.106  -4.746
  282   2HD   LYS  38          3HD       LYS  38   9.303   8.684  -3.840
  283   1HE   LYS  38          2HE       LYS  38  10.368   7.888  -5.937
  284   2HE   LYS  38          3HE       LYS  38   8.850   8.133  -6.819
  285   1HZ   LYS  38          1HZ       LYS  38   8.988  10.475  -6.301
  286   2HZ   LYS  38          2HZ       LYS  38  10.453  10.267  -5.584
  287   3HZ   LYS  38          3HZ       LYS  38  10.281   9.971  -7.198
  288    H    LYS  39           H        LYS  39   3.100   6.714  -3.615
  289    HA   LYS  39           HA       LYS  39   2.986   6.054  -0.791
  290   1HB   LYS  39          2HB       LYS  39   1.566   8.443  -2.113
  291   2HB   LYS  39          3HB       LYS  39   0.997   7.700  -0.658
  292   1HG   LYS  39          2HG       LYS  39   3.309   8.245   0.374
  293   2HG   LYS  39          3HG       LYS  39   3.565   9.221  -1.074
  294   1HD   LYS  39          2HD       LYS  39   2.694  10.799   0.409
  295   2HD   LYS  39          3HD       LYS  39   1.251  10.313  -0.496
  296   1HE   LYS  39          2HE       LYS  39   0.754   8.655   1.430
  297   2HE   LYS  39          3HE       LYS  39   2.134   9.361   2.277
  298   1HZ   LYS  39          1HZ       LYS  39   0.284  10.445   3.101
  299   2HZ   LYS  39          2HZ       LYS  39   0.821  11.549   2.002
  300   3HZ   LYS  39          3HZ       LYS  39  -0.498  10.563   1.751
  301    H    VAL  40           H        VAL  40   1.143   4.999  -0.207
  302    HA   VAL  40           HA       VAL  40  -0.675   4.023  -2.303
  303    HB   VAL  40           HB       VAL  40   0.659   2.304  -0.169
  304   1HG1  VAL  40          1HG1      VAL  40  -1.592   1.600  -0.926
  305   2HG1  VAL  40          2HG1      VAL  40  -1.054   1.680  -2.617
  306   3HG1  VAL  40          3HG1      VAL  40  -0.346   0.485  -1.510
  307   1HG2  VAL  40          1HG2      VAL  40   1.928   1.330  -2.012
  308   2HG2  VAL  40          2HG2      VAL  40   1.268   2.584  -3.115
  309   3HG2  VAL  40          3HG2      VAL  40   2.328   3.018  -1.736
  310    H    CYS  41           H        CYS  41  -2.549   5.063  -1.470
  311    HA   CYS  41           HA       CYS  41  -2.849   5.072   1.510
  312   1HB   CYS  41          2HB       CYS  41  -4.051   6.960  -0.523
  313   2HB   CYS  41          3HB       CYS  41  -4.294   7.004   1.205
  314    HG   CYS  41           HG       CYS  41  -1.477   7.194  -0.509
  315    H    ILE  42           H        ILE  42  -4.318   3.703   2.292
  316    HA   ILE  42           HA       ILE  42  -5.934   2.365   0.211
  317    HB   ILE  42           HB       ILE  42  -5.018   1.138   2.835
  318   1HG1  ILE  42          2HG1      ILE  42  -3.515   1.182   0.202
  319   2HG1  ILE  42          3HG1      ILE  42  -3.024   1.837   1.769
  320   1HG2  ILE  42          1HG2      ILE  42  -6.855  -0.011   1.779
  321   2HG2  ILE  42          2HG2      ILE  42  -6.085   0.050   0.191
  322   3HG2  ILE  42          3HG2      ILE  42  -5.416  -0.976   1.440
  323   1HD1  ILE  42          1HD1      ILE  42  -3.239  -1.094   1.154
  324   2HD1  ILE  42          2HD1      ILE  42  -1.753  -0.167   1.312
  325   3HD1  ILE  42          3HD1      ILE  42  -2.757  -0.394   2.716
  326    H    GLU  43           H        GLU  43  -8.025   2.313   0.284
  327    HA   GLU  43           HA       GLU  43  -9.485   3.061   2.755
  328   1HB   GLU  43          2HB       GLU  43 -10.270   3.047  -0.179
  329   2HB   GLU  43          3HB       GLU  43 -11.412   3.255   1.161
  330   1HG   GLU  43          2HG       GLU  43 -10.803   5.447   0.347
  331   2HG   GLU  43          3HG       GLU  43 -10.106   5.231   1.959
  332    H    SER  44           H        SER  44  -9.833   1.225   3.914
  333    HA   SER  44           HA       SER  44 -11.416  -0.871   2.784
  334   1HB   SER  44          2HB       SER  44  -8.916  -1.481   2.206
  335   2HB   SER  44          3HB       SER  44  -8.783  -1.899   3.908
  336    HG   SER  44           HG       SER  44 -10.563  -3.349   3.576
  337    H    GLU  45           H        GLU  45 -12.748  -1.530   4.506
  338    HA   GLU  45           HA       GLU  45 -12.172  -0.707   7.239
  339   1HB   GLU  45          2HB       GLU  45 -14.285  -2.598   6.115
  340   2HB   GLU  45          3HB       GLU  45 -14.249  -1.890   7.735
  341   1HG   GLU  45          2HG       GLU  45 -14.388   0.392   6.723
  342   2HG   GLU  45          3HG       GLU  45 -14.522  -0.334   5.112
  343    H    HIS  46           H        HIS  46  -9.921  -1.812   6.914
  344    HA   HIS  46           HA       HIS  46 -10.057  -4.695   7.717
  345   1HB   HIS  46          2HB       HIS  46  -9.268  -3.883   5.304
  346   2HB   HIS  46          3HB       HIS  46  -7.761  -3.530   6.150
  347    HD1  HIS  46           1HD      HIS  46  -6.747  -5.921   7.486
  348    HD2  HIS  46           2HD      HIS  46  -9.662  -6.249   4.449
  349    HE1  HIS  46           1HE      HIS  46  -6.729  -8.343   6.684
  350    H    SER  47           H        SER  47  -8.139  -5.486   8.875
  351    HA   SER  47           HA       SER  47  -7.069  -3.849  10.933
  352   1HB   SER  47          2HB       SER  47  -5.384  -5.863  10.830
  353   2HB   SER  47          3HB       SER  47  -7.027  -6.027  11.435
  354    HG   SER  47           HG       SER  47  -6.084  -7.503   9.608
  355    H    MET  48           H        MET  48  -5.607  -2.390  10.792
  356    HA   MET  48           HA       MET  48  -4.120  -1.704   8.481
  357   1HB   MET  48          2HB       MET  48  -2.996  -0.054   9.800
  358   2HB   MET  48          3HB       MET  48  -4.709  -0.112  10.255
  359   1HG   MET  48          2HG       MET  48  -4.067  -1.619  12.141
  360   2HG   MET  48          3HG       MET  48  -2.365  -1.224  11.815
  361   1HE   MET  48          1HE       MET  48  -3.095   0.759  15.105
  362   2HE   MET  48          2HE       MET  48  -3.757  -0.830  14.651
  363   3HE   MET  48          3HE       MET  48  -2.050  -0.442  14.311
  364    H    ASP  49           H        ASP  49  -3.318  -3.649  11.295
  365    HA   ASP  49           HA       ASP  49  -0.630  -4.347  10.919
  366   1HB   ASP  49          2HB       ASP  49  -1.634  -5.311  12.815
  367   2HB   ASP  49          3HB       ASP  49  -3.128  -5.723  11.965
  368    H    THR  50           H        THR  50  -3.442  -6.176   9.696
  369    HA   THR  50           HA       THR  50  -1.900  -7.854   8.163
  370    HB   THR  50           HB       THR  50  -4.807  -7.242   7.626
  371    HG1  THR  50           1HG      THR  50  -3.565  -8.206   9.971
  372   1HG2  THR  50          1HG2      THR  50  -3.806  -9.031   6.258
  373   2HG2  THR  50          2HG2      THR  50  -3.204  -9.838   7.725
  374   3HG2  THR  50          3HG2      THR  50  -4.948  -9.720   7.431
  375    H    LEU  51           H        LEU  51  -3.610  -4.842   7.193
  376    HA   LEU  51           HA       LEU  51  -2.940  -4.884   4.413
  377   1HB   LEU  51          2HB       LEU  51  -3.224  -2.596   6.428
  378   2HB   LEU  51          3HB       LEU  51  -2.699  -2.336   4.786
  379    HG   LEU  51           HG       LEU  51  -5.350  -2.548   5.797
  380   1HD1  LEU  51          1HD1      LEU  51  -5.862  -1.735   3.511
  381   2HD1  LEU  51          2HD1      LEU  51  -4.436  -0.891   4.148
  382   3HD1  LEU  51          3HD1      LEU  51  -4.226  -2.207   2.977
  383   1HD2  LEU  51          1HD2      LEU  51  -4.899  -4.531   3.542
  384   2HD2  LEU  51          2HD2      LEU  51  -5.351  -4.966   5.210
  385   3HD2  LEU  51          3HD2      LEU  51  -6.445  -4.010   4.204
  386    H    LEU  52           H        LEU  52  -1.071  -3.224   7.043
  387    HA   LEU  52           HA       LEU  52   1.142  -2.551   5.638
  388   1HB   LEU  52          2HB       LEU  52   0.520  -2.041   7.972
  389   2HB   LEU  52          3HB       LEU  52   0.980  -3.692   8.396
  390    HG   LEU  52           HG       LEU  52   3.279  -3.291   8.122
  391   1HD1  LEU  52          1HD1      LEU  52   2.532  -0.748   6.620
  392   2HD1  LEU  52          2HD1      LEU  52   4.183  -1.155   7.131
  393   3HD1  LEU  52          3HD1      LEU  52   3.349  -2.163   5.941
  394   1HD2  LEU  52          1HD2      LEU  52   2.172  -2.194  10.052
  395   2HD2  LEU  52          2HD2      LEU  52   3.616  -1.282   9.535
  396   3HD2  LEU  52          3HD2      LEU  52   1.984  -0.720   9.083
  397    H    ALA  53           H        ALA  53   0.639  -5.675   7.391
  398    HA   ALA  53           HA       ALA  53   3.172  -6.770   6.732
  399   1HB   ALA  53          1HB       ALA  53   2.183  -8.901   7.538
  400   2HB   ALA  53          2HB       ALA  53   1.745  -7.558   8.615
  401   3HB   ALA  53          3HB       ALA  53   0.560  -8.188   7.453
  402    H    THR  54           H        THR  54   0.038  -6.906   4.952
  403    HA   THR  54           HA       THR  54   1.052  -8.737   2.970
  404    HB   THR  54           HB       THR  54  -1.278  -6.769   2.925
  405    HG1  THR  54           1HG      THR  54  -1.541  -8.249   4.531
  406   1HG2  THR  54          1HG2      THR  54  -0.464  -9.098   1.150
  407   2HG2  THR  54          2HG2      THR  54  -2.113  -8.456   1.227
  408   3HG2  THR  54          3HG2      THR  54  -0.793  -7.408   0.674
  409    H    LEU  55           H        LEU  55   0.867  -5.159   3.319
  410    HA   LEU  55           HA       LEU  55   1.683  -4.570   0.663
  411   1HB   LEU  55          2HB       LEU  55   0.913  -3.184   3.052
  412   2HB   LEU  55          3HB       LEU  55   2.456  -2.499   2.554
  413    HG   LEU  55           HG       LEU  55  -0.201  -2.449   1.195
  414   1HD1  LEU  55          1HD1      LEU  55   1.875  -0.384   2.101
  415   2HD1  LEU  55          2HD1      LEU  55   0.394   0.022   1.250
  416   3HD1  LEU  55          3HD1      LEU  55   0.307  -0.726   2.860
  417   1HD2  LEU  55          1HD2      LEU  55   0.949  -1.215  -0.645
  418   2HD2  LEU  55          2HD2      LEU  55   2.505  -1.852  -0.050
  419   3HD2  LEU  55          3HD2      LEU  55   1.231  -2.956  -0.645
  420    H    LYS  56           H        LYS  56   3.394  -5.006   3.679
  421    HA   LYS  56           HA       LYS  56   6.071  -4.550   3.076
  422   1HB   LYS  56          2HB       LYS  56   4.591  -6.403   4.948
  423   2HB   LYS  56          3HB       LYS  56   6.341  -6.525   4.782
  424   1HG   LYS  56          2HG       LYS  56   6.651  -4.261   5.475
  425   2HG   LYS  56          3HG       LYS  56   4.939  -3.891   5.384
  426   1HD   LYS  56          2HD       LYS  56   5.802  -4.028   7.663
  427   2HD   LYS  56          3HD       LYS  56   4.497  -5.167   7.407
  428   1HE   LYS  56          2HE       LYS  56   7.452  -5.947   7.197
  429   2HE   LYS  56          3HE       LYS  56   6.592  -5.931   8.741
  430   1HZ   LYS  56          1HZ       LYS  56   5.076  -7.544   7.925
  431   2HZ   LYS  56          2HZ       LYS  56   5.768  -7.552   6.433
  432   3HZ   LYS  56          3HZ       LYS  56   6.610  -8.103   7.735
  433    H    LYS  57           H        LYS  57   4.102  -7.219   1.861
  434    HA   LYS  57           HA       LYS  57   6.202  -9.082   1.386
  435   1HB   LYS  57          2HB       LYS  57   3.707  -8.526  -0.241
  436   2HB   LYS  57          3HB       LYS  57   4.716  -9.959  -0.428
  437   1HG   LYS  57          2HG       LYS  57   3.368  -9.237   2.217
  438   2HG   LYS  57          3HG       LYS  57   2.589 -10.198   0.959
  439   1HD   LYS  57          2HD       LYS  57   4.409 -11.871   1.093
  440   2HD   LYS  57          3HD       LYS  57   5.205 -10.909   2.359
  441   1HE   LYS  57          2HE       LYS  57   3.204 -11.129   3.815
  442   2HE   LYS  57          3HE       LYS  57   2.375 -12.061   2.559
  443   1HZ   LYS  57          1HZ       LYS  57   4.053 -13.760   2.786
  444   2HZ   LYS  57          2HZ       LYS  57   4.833 -12.898   3.953
  445   3HZ   LYS  57          3HZ       LYS  57   3.318 -13.475   4.227
  446    H    THR  58           H        THR  58   5.427  -6.074  -0.286
  447    HA   THR  58           HA       THR  58   7.142  -6.465  -2.639
  448    HB   THR  58           HB       THR  58   6.910  -4.133  -2.911
  449    HG1  THR  58           1HG      THR  58   5.501  -3.979  -0.431
  450   1HG2  THR  58          1HG2      THR  58   4.301  -5.192  -1.815
  451   2HG2  THR  58          2HG2      THR  58   4.543  -3.955  -3.059
  452   3HG2  THR  58          3HG2      THR  58   4.983  -5.638  -3.400
  453    H    GLY  59           H        GLY  59   7.656  -5.616   0.707
  454   1HA   GLY  59          2HA       GLY  59   9.378  -5.092   1.896
  455   2HA   GLY  59          3HA       GLY  59  10.393  -6.083   0.810
  456    H    LYS  60           H        LYS  60   8.594  -3.132  -0.007
  457    HA   LYS  60           HA       LYS  60  11.040  -1.678  -0.788
  458   1HB   LYS  60          2HB       LYS  60   8.183  -0.730  -0.511
  459   2HB   LYS  60          3HB       LYS  60   9.431   0.084  -1.422
  460   1HG   LYS  60          2HG       LYS  60   8.114  -2.553  -2.120
  461   2HG   LYS  60          3HG       LYS  60   7.910  -1.022  -2.957
  462   1HD   LYS  60          2HD       LYS  60  10.331  -2.868  -2.948
  463   2HD   LYS  60          3HD       LYS  60   9.305  -2.394  -4.302
  464   1HE   LYS  60          2HE       LYS  60   9.991   0.076  -3.652
  465   2HE   LYS  60          3HE       LYS  60  11.337  -0.650  -2.781
  466   1HZ   LYS  60          1HZ       LYS  60  12.115  -1.445  -4.931
  467   2HZ   LYS  60          2HZ       LYS  60  10.793  -0.763  -5.684
  468   3HZ   LYS  60          3HZ       LYS  60  11.857   0.189  -4.854
  469    H    THR  61           H        THR  61  10.921   0.773   0.073
  470    HA   THR  61           HA       THR  61  11.131   0.767   2.904
  471    HB   THR  61           HB       THR  61  10.915   3.125   1.111
  472    HG1  THR  61           1HG      THR  61  13.156   1.424   1.450
  473   1HG2  THR  61          1HG2      THR  61  12.660   4.089   2.599
  474   2HG2  THR  61          2HG2      THR  61  11.221   3.626   3.524
  475   3HG2  THR  61          3HG2      THR  61  12.669   2.595   3.559
  476    H    VAL  62           H        VAL  62   8.832  -0.203   2.966
  477    HA   VAL  62           HA       VAL  62   6.628   1.664   2.687
  478    HB   VAL  62           HB       VAL  62   6.304  -0.682   2.237
  479   1HG1  VAL  62          1HG1      VAL  62   7.769  -1.679   4.009
  480   2HG1  VAL  62          2HG1      VAL  62   6.571  -1.183   5.230
  481   3HG1  VAL  62          3HG1      VAL  62   6.129  -2.344   3.970
  482   1HG2  VAL  62          1HG2      VAL  62   4.174  -0.954   3.394
  483   2HG2  VAL  62          2HG2      VAL  62   4.628   0.250   4.611
  484   3HG2  VAL  62          3HG2      VAL  62   4.384   0.740   2.925
  485    H    SER  63           H        SER  63   5.759   2.974   4.180
  486    HA   SER  63           HA       SER  63   6.454   2.715   7.049
  487   1HB   SER  63          2HB       SER  63   7.993   4.378   5.910
  488   2HB   SER  63          3HB       SER  63   6.555   5.298   5.427
  489    HG   SER  63           HG       SER  63   7.495   4.758   8.055
  490    H    TYR  64           H        TYR  64   4.730   3.270   8.328
  491    HA   TYR  64           HA       TYR  64   2.065   3.417   7.062
  492   1HB   TYR  64          2HB       TYR  64   2.187   1.741   8.679
  493   2HB   TYR  64          3HB       TYR  64   3.214   2.683   9.746
  494    HD1  TYR  64           HD1      TYR  64  -0.316   2.141   8.711
  495    HD2  TYR  64           HD2      TYR  64   2.366   4.280  11.326
  496    HE1  TYR  64           HE1      TYR  64  -2.172   2.537  10.307
  497    HE2  TYR  64           HE2      TYR  64   0.504   4.736  12.872
  498    HH   TYR  64           HH       TYR  64  -1.662   4.237  13.423
  499    H    LEU  65           H        LEU  65   0.938   5.270   6.936
  500    HA   LEU  65           HA       LEU  65   1.627   7.586   8.654
  501   1HB   LEU  65          2HB       LEU  65   0.885   7.445   5.727
  502   2HB   LEU  65          3HB       LEU  65   0.668   8.897   6.701
  503    HG   LEU  65           HG       LEU  65   3.247   8.353   7.381
  504   1HD1  LEU  65          1HD1      LEU  65   3.368   6.364   5.968
  505   2HD1  LEU  65          2HD1      LEU  65   2.923   7.346   4.550
  506   3HD1  LEU  65          3HD1      LEU  65   4.469   7.629   5.400
  507   1HD2  LEU  65          1HD2      LEU  65   2.363  10.441   6.533
  508   2HD2  LEU  65          2HD2      LEU  65   3.830  10.005   5.624
  509   3HD2  LEU  65          3HD2      LEU  65   2.216   9.750   4.897
  510    H    GLY  66           H        GLY  66  -0.396   9.087   8.463
  511   1HA   GLY  66          2HA       GLY  66  -2.425   8.929   9.927
  512   2HA   GLY  66          3HA       GLY  66  -2.716   9.370   8.250
  513    H    LEU  67           H        LEU  67  -3.313   7.097  10.719
  514    HA   LEU  67           HA       LEU  67  -4.991   5.282   9.121
  515   1HB   LEU  67          2HB       LEU  67  -3.683   4.499  11.022
  516   2HB   LEU  67          3HB       LEU  67  -4.424   5.684  12.092
  517    HG   LEU  67           HG       LEU  67  -5.197   3.503  12.498
  518   1HD1  LEU  67          1HD1      LEU  67  -7.501   3.865  12.770
  519   2HD1  LEU  67          2HD1      LEU  67  -6.824   5.487  12.698
  520   3HD1  LEU  67          3HD1      LEU  67  -7.660   4.808  11.289
  521   1HD2  LEU  67          1HD2      LEU  67  -4.888   2.648  10.129
  522   2HD2  LEU  67          2HD2      LEU  67  -6.284   2.037  11.005
  523   3HD2  LEU  67          3HD2      LEU  67  -6.503   3.291   9.759
  524    H    GLU  68           H        GLU  68  -7.174   5.729   8.861
  525    HA   GLU  68           HA       GLU  68  -8.666   7.157  10.796
  526   1HB   GLU  68          2HB       GLU  68  -7.504   8.886   8.994
  527   2HB   GLU  68          3HB       GLU  68  -8.993   8.528   8.137
  528   1HG   GLU  68          2HG       GLU  68  -8.862   9.453  11.055
  529   2HG   GLU  68          3HG       GLU  68  -8.972  10.556   9.681