*HEADER    BLOOD CLOTTING                          14-DEC-01   1KMA              
*TITLE     NMR STRUCTURE OF THE DOMAIN-I OF THE KAZAL-TYPE THROMBIN              
*TITLE    2 INHIBITOR DIPETALIN                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DIPETALIN;                                                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN-I;                                       
*COMPND   5 SYNONYM: DIPETALOGASTIN;                                             
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DIPETALOGASTER MAXIMUS;                         
*SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   4 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: TG1;                                       
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PMEX6                                     
*KEYWDS    DISULPHIDE-RICH SMALL ALPHA+BETA FOLD, KAZAL-TYPE                     
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    B.SCHLOTT, J.WOHNERT, C.ICKE, M.HARTMANN, R.RAMACHANDRAN,             
*AUTHOR   2 K.-H.GUHRS, E.GLUSA, J.FLEMMING, M.GORLACH, F.GROSSE,                
*AUTHOR   3 O.OHLENSCHLAGER                                                      
*REVDAT   1   15-MAY-02 1KMA    0                                                
#upl
  1 PHE  HA      2 GLN  HN      3.60                
  1 PHE  HA      2 GLN  HA      5.50                
  1 PHE  HA      2 GLN  QG      6.50                
  1 PHE  HA      3 GLY  HN      5.50                
  1 PHE  HA      5 PRO  QG      6.50                
  1 PHE  HA     35 GLU  HA      3.60                
  1 PHE  HA     35 GLU  HB2     5.50                
  1 PHE  HA     35 GLU  HB3     5.50                
  1 PHE  HA     35 GLU  HG2     5.50                
  1 PHE  HA     35 GLU  HG3     5.50                
  1 PHE  QB      2 GLN  HA      5.10                
  1 PHE  QB      2 GLN  QB      5.98                
  1 PHE  QB      2 GLN  QG      6.60                
  1 PHE  QB      4 ASN  QB      7.38                
  1 PHE  QB      5 PRO  QG      6.60                
  1 PHE  QB     35 GLU  HN      5.10                
  1 PHE  QB     35 GLU  HB2     5.10                
  1 PHE  QB     35 GLU  HB3     5.10                
  2 GLN  HN      3 GLY  HN      5.50                
  2 GLN  HN      4 ASN  QB      6.38                
  2 GLN  HN      5 PRO  QB      6.38                
  2 GLN  HA      3 GLY  HN      3.60                
  2 GLN  HA      3 GLY  QA      6.50                
  2 GLN  QB      5 PRO  QG      5.98                
  2 GLN  QB     35 GLU  QB      7.25                
  2 GLN  QB     35 GLU  QG      5.35                
  2 GLN  QG     35 GLU  QG      5.98                
  3 GLY  HN      4 ASN  QB      6.38                
  3 GLY  HN     35 GLU  HG2     5.50                
  3 GLY  HN     35 GLU  HG3     5.50                
  3 GLY  QA      5 PRO  QD      7.38                
  4 ASN  HB2     5 PRO  HB2     7.25                
  4 ASN  HB2     5 PRO  HB3     7.25                
  4 ASN  HB2     5 PRO  HD2     5.50                
  4 ASN  HB2     5 PRO  HD3     5.50                
  4 ASN  HB3     5 PRO  HB2     7.25                
  4 ASN  HB3     5 PRO  HB3     7.25                
  4 ASN  HB3     5 PRO  HD2     5.50                
  4 ASN  HB3     5 PRO  HD3     5.50                
  4 ASN  QB      5 PRO  QB      6.32                
  5 PRO  HA     31 CYS  HN      5.50                
  5 PRO  HA     31 CYS  HA      5.50                
  5 PRO  HA     34 HIS  QB      6.38                
  5 PRO  HA     35 GLU  QG      6.38                
  5 PRO  HB2    31 CYS  HN      5.50                
  5 PRO  HB2    35 GLU  HB2     5.35                
  5 PRO  HB2    35 GLU  HB3     5.35                
  5 PRO  HB2    35 GLU  HG2     5.35                
  5 PRO  HB2    35 GLU  HG3     5.35                
  5 PRO  HB3    31 CYS  HN      5.50                
  5 PRO  HB3    35 GLU  HB2     5.35                
  5 PRO  HB3    35 GLU  HB3     5.35                
  5 PRO  HB3    35 GLU  HG2     5.35                
  5 PRO  HB3    35 GLU  HG3     5.35                
  5 PRO  QB     31 CYS  HA      6.38                
  5 PRO  QB     31 CYS  QB      7.25                
  5 PRO  QB     32 ALA  HA      6.38                
  5 PRO  QB     35 GLU  HA      6.38                
  5 PRO  QB     35 GLU  QB      3.92                
  5 PRO  QB     35 GLU  QG      4.39                
  5 PRO  QG     31 CYS  HA      6.50                
  5 PRO  QG     32 ALA  QB      7.50                
  5 PRO  QG     34 HIS  HB2     6.50                
  5 PRO  QG     34 HIS  HB3     6.50                
  5 PRO  QG     35 GLU  HA      6.50                
  5 PRO  QG     35 GLU  QB      5.98                
  6 CYS  CB     31 CYS  SG      3.10                
  6 CYS  SG     31 CYS  CB      3.10                
  6 CYS  SG     31 CYS  SG      2.10                
  8 CYS  CB     27 CYS  SG      3.10                
  8 CYS  SG     27 CYS  CB      3.10                
  8 CYS  SG     27 CYS  SG      2.10                
  9 PRO  HA     10 ARG  HN      2.70                
  9 PRO  HA     10 ARG  HA      5.50                
  9 PRO  HA     10 ARG  QB      6.38                
  9 PRO  HA     11 ALA  HN      5.50                
  9 PRO  HB2    11 ALA  HN      5.50                
  9 PRO  HB2    11 ALA  QB      5.80                
  9 PRO  HB2    25 ASN  HD21    7.25                
  9 PRO  HB2    25 ASN  HD22    7.25                
  9 PRO  HB3    11 ALA  HN      5.50                
  9 PRO  HB3    11 ALA  QB      5.80                
  9 PRO  HB3    25 ASN  HD21    7.25                
  9 PRO  HB3    25 ASN  HD22    7.25                
  9 PRO  QB     25 ASN  QD2     6.32                
  9 PRO  QG     11 ALA  HN      6.50                
  9 PRO  QG     11 ALA  QB      7.50                
  9 PRO  QG     27 CYS  HB2     6.50                
  9 PRO  QG     27 CYS  HB3     6.50                
  9 PRO  HD2    11 ALA  QB      5.80                
  9 PRO  HD2    27 CYS  HB2     5.50                
  9 PRO  HD2    27 CYS  HB3     5.50                
  9 PRO  HD3    11 ALA  QB      5.80                
  9 PRO  HD3    27 CYS  HB2     5.50                
  9 PRO  HD3    27 CYS  HB3     5.50                
 10 ARG  HN     10 ARG  QB      3.81                
 10 ARG  HN     10 ARG  QG      6.50                
 10 ARG  HN     11 ALA  HN      3.60                
 10 ARG  HN     11 ALA  HA      5.50                
 10 ARG  HN     11 ALA  QB      5.80                
 10 ARG  HA     10 ARG  QD      6.50                
 10 ARG  HA     11 ALA  HN      2.70                
 10 ARG  HA     11 ALA  HA      5.50                
 10 ARG  HA     11 ALA  QB      5.80                
 10 ARG  HA     12 LEU  QQD     7.37                
 10 ARG  HB2    11 ALA  HA      5.50                
 10 ARG  HB3    11 ALA  HA      5.50                
 10 ARG  QB     11 ALA  HN      4.48                
 10 ARG  QB     11 ALA  QB      6.68                
 10 ARG  QG     11 ALA  HN      6.50                
 11 ALA  HN     11 ALA  HA      2.70                
 11 ALA  HN     11 ALA  QB      3.00                
 11 ALA  HN     12 LEU  HN      5.50                
 11 ALA  HA     12 LEU  HN      2.70                
 11 ALA  HA     12 LEU  HA      5.50                
 11 ALA  HA     12 LEU  HB2     5.50                
 11 ALA  HA     12 LEU  HB3     5.50                
 11 ALA  HA     12 LEU  HG      5.50                
 11 ALA  HA     12 LEU  QQD     7.37                
 11 ALA  HA     25 ASN  QD2     6.37                
 11 ALA  QB     12 LEU  HN      3.90                
 11 ALA  QB     12 LEU  QB      6.68                
 11 ALA  QB     25 ASN  HD21    5.80                
 11 ALA  QB     25 ASN  HD22    5.80                
 12 LEU  HN     12 LEU  HB2     3.60                
 12 LEU  HN     12 LEU  HB3     3.60                
 12 LEU  HN     12 LEU  QB      3.06                
 12 LEU  HN     12 LEU  HG      3.60                
 12 LEU  HN     12 LEU  QD1     5.80                
 12 LEU  HN     12 LEU  QD2     5.80                
 12 LEU  HN     13 HIS  HN      5.50                
 12 LEU  HA     12 LEU  QD1     5.80                
 12 LEU  HA     12 LEU  QD2     5.80                
 12 LEU  HA     13 HIS  HN      2.70                
 12 LEU  HA     13 HIS  HA      5.50                
 12 LEU  HA     13 HIS  QB      6.38                
 12 LEU  HA     14 ARG  HN      5.50                
 12 LEU  HA     14 ARG  QG      6.38                
 12 LEU  HA     24 SER  QB      6.50                
 12 LEU  HA     25 ASN  QB      6.38                
 12 LEU  HA     25 ASN  QD2     6.37                
 12 LEU  HB2    13 HIS  HN      5.50                
 12 LEU  HB3    13 HIS  HN      5.50                
 12 LEU  QB     14 ARG  HN      6.38                
 12 LEU  QB     14 ARG  QG      7.25                
 12 LEU  QB     14 ARG  QD      5.98                
 12 LEU  QD1    13 HIS  HN      5.80                
 12 LEU  QD1    14 ARG  HG2     7.55                
 12 LEU  QD1    14 ARG  HG3     7.55                
 12 LEU  QD1    14 ARG  QD      7.50                
 12 LEU  QD1    24 SER  QB      7.50                
 12 LEU  QD2    13 HIS  HN      5.80                
 12 LEU  QD2    14 ARG  HG2     7.55                
 12 LEU  QD2    14 ARG  HG3     7.55                
 12 LEU  QD2    14 ARG  QD      7.50                
 12 LEU  QD2    24 SER  QB      7.50                
 12 LEU  QQD    14 ARG  HN      7.37                
 12 LEU  QQD    14 ARG  HA      7.37                
 12 LEU  QQD    14 ARG  QG      6.02                
 12 LEU  QQD    24 SER  HA      7.37                
 12 LEU  QQD    24 SER  QB      6.47                
 13 HIS  HN     13 HIS  QB      3.81                
 13 HIS  HN     14 ARG  HN      5.50                
 13 HIS  HN     14 ARG  HA      5.50                
 13 HIS  HN     14 ARG  QG      6.38                
 13 HIS  HN     24 SER  QB      6.50                
 13 HIS  HN     25 ASN  HN      5.50                
 13 HIS  HN     25 ASN  HA      5.50                
 13 HIS  HN     25 ASN  HB2     5.50                
 13 HIS  HN     25 ASN  HB3     5.50                
 13 HIS  HN     25 ASN  HD21    5.50                
 13 HIS  HN     25 ASN  HD22    5.50                
 13 HIS  HA     14 ARG  HN      2.70                
 13 HIS  HA     14 ARG  HA      5.50                
 13 HIS  HA     15 VAL  QQG     7.36                
 13 HIS  HB2    25 ASN  HB2     5.35                
 13 HIS  HB2    25 ASN  HB3     5.35                
 13 HIS  HB2    26 PRO  HD2     7.25                
 13 HIS  HB2    26 PRO  HD3     7.25                
 13 HIS  HB3    25 ASN  HB2     5.35                
 13 HIS  HB3    25 ASN  HB3     5.35                
 13 HIS  HB3    26 PRO  HD2     7.25                
 13 HIS  HB3    26 PRO  HD3     7.25                
 13 HIS  QB     14 ARG  HN      6.38                
 13 HIS  QB     15 VAL  QQG     8.24                
 13 HIS  QB     25 ASN  HA      6.38                
 13 HIS  QB     25 ASN  QB      3.92                
 13 HIS  QB     26 PRO  QD      6.32                
 14 ARG  HN     14 ARG  HB2     3.60                
 14 ARG  HN     14 ARG  HB3     3.60                
 14 ARG  HN     14 ARG  HG2     3.60                
 14 ARG  HN     14 ARG  HG3     3.60                
 14 ARG  HN     14 ARG  QG      3.06                
 14 ARG  HN     14 ARG  QD      5.10                
 14 ARG  HN     15 VAL  HN      5.50                
 14 ARG  HN     15 VAL  QQG     7.36                
 14 ARG  HN     24 SER  HA      5.50                
 14 ARG  HA     14 ARG  QD      6.50                
 14 ARG  HA     14 ARG  HE      5.50                
 14 ARG  HA     15 VAL  HN      2.70                
 14 ARG  HA     15 VAL  HA      5.50                
 14 ARG  HA     15 VAL  QG1     5.80                
 14 ARG  HA     15 VAL  QG2     5.80                
 14 ARG  HA     15 VAL  QQG     4.69                
 14 ARG  HA     22 THR  QG2     5.80                
 14 ARG  HA     23 TYR  HN      5.50                
 14 ARG  HA     23 TYR  HA      5.50                
 14 ARG  HA     24 SER  HN      5.50                
 14 ARG  HA     24 SER  HA      5.50                
 14 ARG  HA     24 SER  QB      6.50                
 14 ARG  HA     25 ASN  HN      5.50                
 14 ARG  HA     25 ASN  HA      5.50                
 14 ARG  HA     25 ASN  QB      6.38                
 14 ARG  HB2    22 THR  QG2     5.80                
 14 ARG  HB2    47 PRO  HD2     5.50                
 14 ARG  HB2    47 PRO  HD3     5.50                
 14 ARG  HB3    22 THR  QG2     5.80                
 14 ARG  HB3    47 PRO  HD2     5.50                
 14 ARG  HB3    47 PRO  HD3     5.50                
 14 ARG  QB     15 VAL  HN      4.48                
 14 ARG  HG2    22 THR  QG2     5.80                
 14 ARG  HG3    22 THR  QG2     5.80                
 14 ARG  QG     24 SER  HN      6.38                
 14 ARG  QG     24 SER  HA      4.48                
 14 ARG  QG     24 SER  QB      7.38                
 14 ARG  QD     15 VAL  HN      6.50                
 14 ARG  QD     22 THR  QG2     5.70                
 14 ARG  QD     24 SER  HA      6.50                
 14 ARG  HE     15 VAL  QQG     7.36                
 15 VAL  N      23 TYR  O       3.00                
 15 VAL  HN     15 VAL  QG1     3.90                
 15 VAL  HN     15 VAL  QG2     3.90                
 15 VAL  HN     15 VAL  QQG     3.11                
 15 VAL  HN     16 CYS  HN      5.50                
 15 VAL  HN     22 THR  HA      5.50                
 15 VAL  HN     22 THR  QG2     3.90                
 15 VAL  HN     23 TYR  HN      3.60                
 15 VAL  HN     23 TYR  HA      5.50                
 15 VAL  HN     23 TYR  HB2     5.50                
 15 VAL  HN     23 TYR  HB3     5.50                
 15 VAL  HN     23 TYR  O       2.00                
 15 VAL  HN     24 SER  HN      5.50                
 15 VAL  HN     24 SER  HA      5.50                
 15 VAL  HN     25 ASN  HN      5.50                
 15 VAL  HN     25 ASN  HA      5.50                
 15 VAL  HA     16 CYS  HN      2.70                
 15 VAL  HA     46 GLY  HN      3.60                
 15 VAL  HA     47 PRO  QG      6.38                
 15 VAL  HB     16 CYS  HN      2.70                
 15 VAL  HB     16 CYS  QB      6.38                
 15 VAL  HB     23 TYR  HN      5.50                
 15 VAL  HB     26 PRO  QB      4.48                
 15 VAL  HB     26 PRO  QG      6.38                
 15 VAL  HB     26 PRO  QD      6.38                
 15 VAL  HB     45 GLU  HA      5.50                
 15 VAL  HB     46 GLY  HN      5.50                
 15 VAL  HB     47 PRO  HA      5.50                
 15 VAL  HB     47 PRO  QB      6.50                
 15 VAL  HB     47 PRO  QD      6.38                
 15 VAL  QG1    16 CYS  HN      5.80                
 15 VAL  QG1    17 GLY  HA1     8.92                
 15 VAL  QG1    17 GLY  HA2     8.92                
 15 VAL  QG1    22 THR  QG2     6.80                
 15 VAL  QG1    23 TYR  HN      5.80                
 15 VAL  QG1    23 TYR  HB2     7.02                
 15 VAL  QG1    23 TYR  HB3     7.02                
 15 VAL  QG1    25 ASN  HN      5.80                
 15 VAL  QG1    25 ASN  HA      5.80                
 15 VAL  QG1    25 ASN  HB2     8.92                
 15 VAL  QG1    25 ASN  HB3     8.92                
 15 VAL  QG1    26 PRO  HA      5.80                
 15 VAL  QG1    26 PRO  HB2     7.55                
 15 VAL  QG1    26 PRO  HB3     7.55                
 15 VAL  QG1    26 PRO  HG2     5.80                
 15 VAL  QG1    26 PRO  HG3     5.80                
 15 VAL  QG1    26 PRO  HD2     7.55                
 15 VAL  QG1    26 PRO  HD3     7.55                
 15 VAL  QG1    29 LEU  HB2     7.02                
 15 VAL  QG1    29 LEU  HB3     7.02                
 15 VAL  QG1    46 GLY  HN      5.80                
 15 VAL  QG2    16 CYS  HN      5.80                
 15 VAL  QG2    17 GLY  HA1     8.92                
 15 VAL  QG2    17 GLY  HA2     8.92                
 15 VAL  QG2    22 THR  QG2     6.80                
 15 VAL  QG2    23 TYR  HN      5.80                
 15 VAL  QG2    23 TYR  HB2     7.02                
 15 VAL  QG2    23 TYR  HB3     7.02                
 15 VAL  QG2    25 ASN  HN      5.80                
 15 VAL  QG2    25 ASN  HA      5.80                
 15 VAL  QG2    25 ASN  HB2     8.92                
 15 VAL  QG2    25 ASN  HB3     8.92                
 15 VAL  QG2    26 PRO  HA      5.80                
 15 VAL  QG2    26 PRO  HB2     7.55                
 15 VAL  QG2    26 PRO  HB3     7.55                
 15 VAL  QG2    26 PRO  HG2     5.80                
 15 VAL  QG2    26 PRO  HG3     5.80                
 15 VAL  QG2    26 PRO  HD2     7.55                
 15 VAL  QG2    26 PRO  HD3     7.55                
 15 VAL  QG2    29 LEU  HB2     7.02                
 15 VAL  QG2    29 LEU  HB3     7.02                
 15 VAL  QG2    46 GLY  HN      5.80                
 15 VAL  QQG    16 CYS  HN      4.69                
 15 VAL  QQG    17 GLY  HN      7.36                
 15 VAL  QQG    17 GLY  QA      7.31                
 15 VAL  QQG    23 TYR  QB      5.01                
 15 VAL  QQG    24 SER  HN      7.36                
 15 VAL  QQG    24 SER  HA      7.36                
 15 VAL  QQG    24 SER  QB      9.06                
 15 VAL  QQG    25 ASN  QB      7.31                
 15 VAL  QQG    26 PRO  HA      4.69                
 15 VAL  QQG    26 PRO  QB      6.02                
 15 VAL  QQG    26 PRO  QG      4.61                
 15 VAL  QQG    26 PRO  QD      6.02                
 15 VAL  QQG    29 LEU  HN      7.36                
 15 VAL  QQG    29 LEU  QB      5.39                
 15 VAL  QQG    29 LEU  QQD     8.03                
 15 VAL  QQG    44 HIS  HN      7.36                
 15 VAL  QQG    45 GLU  QB      8.24                
 15 VAL  QQG    45 GLU  QG      8.24                
 15 VAL  QQG    46 GLY  HN      4.69                
 15 VAL  QQG    46 GLY  QA      6.34                
 15 VAL  QQG    47 PRO  HA      7.36                
 15 VAL  QQG    47 PRO  QB      9.06                
 15 VAL  QQG    47 PRO  QG      8.24                
 15 VAL  O      23 TYR  N       3.00                
 15 VAL  O      23 TYR  HN      2.00                
 16 CYS  HN     16 CYS  HB2     3.60                
 16 CYS  HN     16 CYS  HB3     3.60                
 16 CYS  HN     17 GLY  HN      5.50                
 16 CYS  HN     22 THR  HA      5.50                
 16 CYS  HN     22 THR  QG2     5.80                
 16 CYS  HN     23 TYR  HN      5.50                
 16 CYS  HN     43 VAL  QQG     7.36                
 16 CYS  HN     44 HIS  HN      5.50                
 16 CYS  HN     45 GLU  HN      5.50                
 16 CYS  HN     45 GLU  HA      5.50                
 16 CYS  HN     46 GLY  HN      5.50                
 16 CYS  HN     46 GLY  QA      6.38                
 16 CYS  HN     47 PRO  HA      3.60                
 16 CYS  HN     47 PRO  QB      6.50                
 16 CYS  HA     17 GLY  HN      2.70                
 16 CYS  HA     17 GLY  QA      6.38                
 16 CYS  HA     22 THR  HN      5.50                
 16 CYS  HA     22 THR  QG2     5.80                
 16 CYS  HA     23 TYR  HN      3.60                
 16 CYS  HA     48 CYS  HN      5.50                
 16 CYS  CB     48 CYS  SG      3.10                
 16 CYS  HB2    17 GLY  HN      5.50                
 16 CYS  HB2    48 CYS  HN      3.60                
 16 CYS  HB2    48 CYS  HA      5.50                
 16 CYS  HB2    48 CYS  HB2     5.35                
 16 CYS  HB2    48 CYS  HB3     5.35                
 16 CYS  HB3    17 GLY  HN      5.50                
 16 CYS  HB3    48 CYS  HN      3.60                
 16 CYS  HB3    48 CYS  HA      5.50                
 16 CYS  HB3    48 CYS  HB2     5.35                
 16 CYS  HB3    48 CYS  HB3     5.35                
 16 CYS  QB     22 THR  QG2     6.68                
 16 CYS  QB     43 VAL  QQG     8.24                
 16 CYS  QB     44 HIS  HN      6.38                
 16 CYS  QB     47 PRO  HA      4.48                
 16 CYS  QB     47 PRO  QG      7.25                
 16 CYS  QB     48 CYS  QB      4.39                
 16 CYS  QB     49 ASP  QB      7.38                
 16 CYS  SG     48 CYS  CB      3.10                
 16 CYS  SG     48 CYS  SG      2.10                
 17 GLY  N      21 ASN  O       3.00                
 17 GLY  HN     19 ASP  HN      5.50                
 17 GLY  HN     20 GLY  HN      5.50                
 17 GLY  HN     21 ASN  HN      5.50                
 17 GLY  HN     21 ASN  HA      5.50                
 17 GLY  HN     21 ASN  O       2.00                
 17 GLY  HN     22 THR  HA      3.60                
 17 GLY  HN     23 TYR  HN      5.50                
 17 GLY  HN     40 LEU  QQD     7.37                
 17 GLY  HA1    18 SER  HN      2.70                
 17 GLY  HA1    19 ASP  HN      5.50                
 17 GLY  HA1    21 ASN  HN      5.50                
 17 GLY  HA1    29 LEU  QD1     8.94                
 17 GLY  HA1    29 LEU  QD2     8.94                
 17 GLY  HA1    43 VAL  HN      5.50                
 17 GLY  HA2    18 SER  HN      2.70                
 17 GLY  HA2    19 ASP  HN      5.50                
 17 GLY  HA2    21 ASN  HN      5.50                
 17 GLY  HA2    29 LEU  QD1     8.94                
 17 GLY  HA2    29 LEU  QD2     8.94                
 17 GLY  HA2    43 VAL  HN      5.50                
 17 GLY  QA     18 SER  HA      4.48                
 17 GLY  QA     21 ASN  QB      7.25                
 17 GLY  QA     22 THR  HA      6.38                
 17 GLY  QA     23 TYR  HN      6.38                
 17 GLY  QA     29 LEU  QQD     7.32                
 17 GLY  QA     40 LEU  HG      6.38                
 17 GLY  QA     43 VAL  HB      6.38                
 17 GLY  QA     43 VAL  QQG     6.34                
 18 SER  HN     18 SER  HA      2.70                
 18 SER  HN     18 SER  QB      3.42                
 18 SER  HN     19 ASP  HN      5.50                
 18 SER  HN     20 GLY  HN      5.50                
 18 SER  HN     23 TYR  QE      7.63                
 18 SER  HN     29 LEU  QQD     7.37                
 18 SER  HN     40 LEU  HA      5.50                
 18 SER  HN     41 VAL  HN      5.50                
 18 SER  HN     41 VAL  QQG     7.36                
 18 SER  HN     42 GLN  HA      5.50                
 18 SER  HN     43 VAL  QG1     3.90                
 18 SER  HN     43 VAL  QG2     3.90                
 18 SER  HN     43 VAL  QQG     3.11                
 18 SER  HN     44 HIS  HN      5.50                
 18 SER  HA     19 ASP  HN      3.60                
 18 SER  HA     20 GLY  HN      5.50                
 18 SER  HA     20 GLY  QA      6.38                
 18 SER  HA     43 VAL  HB      5.50                
 18 SER  HA     43 VAL  QG1     3.90                
 18 SER  HA     43 VAL  QG2     3.90                
 18 SER  HB2    19 ASP  HN      5.50                
 18 SER  HB2    41 VAL  HN      5.50                
 18 SER  HB2    43 VAL  HA      5.50                
 18 SER  HB2    43 VAL  QG1     5.80                
 18 SER  HB2    43 VAL  QG2     5.80                
 18 SER  HB3    19 ASP  HN      5.50                
 18 SER  HB3    41 VAL  HN      5.50                
 18 SER  HB3    43 VAL  HA      5.50                
 18 SER  HB3    43 VAL  QG1     5.80                
 18 SER  HB3    43 VAL  QG2     5.80                
 18 SER  QB     43 VAL  QQG     5.04                
 19 ASP  HN     19 ASP  HB2     3.60                
 19 ASP  HN     19 ASP  HB3     3.60                
 19 ASP  HN     20 GLY  HN      3.60                
 19 ASP  HN     20 GLY  QA      6.38                
 19 ASP  HN     21 ASN  QB      6.38                
 19 ASP  HN     23 TYR  QE      7.63                
 19 ASP  HN     40 LEU  HA      5.50                
 19 ASP  HN     41 VAL  HN      5.50                
 19 ASP  HN     41 VAL  QQG     7.36                
 19 ASP  HN     43 VAL  QG1     5.80                
 19 ASP  HN     43 VAL  QG2     5.80                
 19 ASP  HA     21 ASN  HN      5.50                
 19 ASP  HA     43 VAL  QQG     7.36                
 19 ASP  HB2    20 GLY  HN      5.50                
 19 ASP  HB2    21 ASN  HN      5.50                
 19 ASP  HB2    21 ASN  HD21    5.50                
 19 ASP  HB2    21 ASN  HD22    5.50                
 19 ASP  HB3    20 GLY  HN      5.50                
 19 ASP  HB3    21 ASN  HN      5.50                
 19 ASP  HB3    21 ASN  HD21    5.50                
 19 ASP  HB3    21 ASN  HD22    5.50                
 19 ASP  QB     21 ASN  QB      7.25                
 19 ASP  QB     40 LEU  QQD     8.25                
 19 ASP  QB     43 VAL  QQG     8.24                
 20 GLY  HN     21 ASN  HN      3.60                
 20 GLY  HN     21 ASN  HB2     5.50                
 20 GLY  HN     21 ASN  HB3     5.50                
 20 GLY  HN     43 VAL  QG1     5.80                
 20 GLY  HN     43 VAL  QG2     5.80                
 20 GLY  HN     48 CYS  HB2     5.50                
 20 GLY  HN     48 CYS  HB3     5.50                
 20 GLY  HA1    21 ASN  HN      3.60                
 20 GLY  HA2    21 ASN  HN      3.60                
 20 GLY  QA     48 CYS  QB      7.25                
 20 GLY  QA     49 ASP  HN      6.38                
 21 ASN  HN     21 ASN  HA      2.70                
 21 ASN  HN     21 ASN  HB2     3.60                
 21 ASN  HN     21 ASN  HB3     3.60                
 21 ASN  HN     21 ASN  QB      3.06                
 21 ASN  HN     21 ASN  QD2     6.37                
 21 ASN  HN     22 THR  HN      5.50                
 21 ASN  HN     43 VAL  QQG     7.36                
 21 ASN  HN     48 CYS  QB      6.38                
 21 ASN  HA     22 THR  HN      2.70                
 21 ASN  HA     22 THR  HB      5.50                
 21 ASN  QB     22 THR  HN      4.48                
 22 THR  HN     22 THR  HA      2.70                
 22 THR  HN     22 THR  HB      2.70                
 22 THR  HN     23 TYR  HN      5.50                
 22 THR  HA     23 TYR  HN      2.70                
 22 THR  HA     48 CYS  HN      3.60                
 22 THR  HA     49 ASP  HN      5.50                
 22 THR  HB     23 TYR  HN      5.50                
 22 THR  HB     48 CYS  HN      5.50                
 22 THR  QG2    23 TYR  HN      3.00                
 22 THR  QG2    23 TYR  HA      5.80                
 22 THR  QG2    24 SER  HN      5.80                
 22 THR  QG2    24 SER  HA      5.80                
 22 THR  QG2    47 PRO  QB      7.50                
 22 THR  QG2    48 CYS  HN      3.90                
 23 TYR  HN     23 TYR  HB2     3.60                
 23 TYR  HN     23 TYR  HB3     3.60                
 23 TYR  HN     24 SER  HN      5.50                
 23 TYR  HN     29 LEU  QQD     7.37                
 23 TYR  HN     47 PRO  QB      6.50                
 23 TYR  HA     24 SER  HN      2.70                
 23 TYR  HA     24 SER  HA      5.50                
 23 TYR  HA     24 SER  QB      6.50                
 23 TYR  HA     25 ASN  HN      5.50                
 23 TYR  HB2    29 LEU  HB2     7.25                
 23 TYR  HB2    29 LEU  HB3     7.25                
 23 TYR  HB2    29 LEU  QD1     8.94                
 23 TYR  HB2    29 LEU  QD2     8.94                
 23 TYR  HB3    29 LEU  HB2     7.25                
 23 TYR  HB3    29 LEU  HB3     7.25                
 23 TYR  HB3    29 LEU  QD1     8.94                
 23 TYR  HB3    29 LEU  QD2     8.94                
 23 TYR  QB     24 SER  HN      4.48                
 23 TYR  QB     25 ASN  HN      4.48                
 23 TYR  QB     28 MET  QG      7.38                
 23 TYR  QB     29 LEU  HN      6.38                
 23 TYR  QB     29 LEU  HA      6.38                
 23 TYR  QB     29 LEU  QB      6.32                
 23 TYR  QB     29 LEU  QQD     7.32                
 23 TYR  QE     40 LEU  HA      7.63                
 23 TYR  QE     40 LEU  HG      7.63                
 23 TYR  QE     41 VAL  HN      7.63                
 23 TYR  QE     41 VAL  QQG    10.52                
 24 SER  HN     24 SER  HA      2.70                
 24 SER  HN     25 ASN  HN      3.60                
 24 SER  HN     28 MET  QG      6.50                
 24 SER  HA     25 ASN  HN      3.60                
 24 SER  HA     25 ASN  HA      5.50                
 24 SER  HA     25 ASN  QB      6.38                
 24 SER  QB     25 ASN  HA      6.50                
 24 SER  QB     25 ASN  HB2     6.50                
 24 SER  QB     25 ASN  HB3     6.50                
 24 SER  QB     25 ASN  HD21    6.50                
 24 SER  QB     25 ASN  HD22    6.50                
 24 SER  QB     28 MET  HB2     6.50                
 24 SER  QB     28 MET  HB3     6.50                
 24 SER  QB     28 MET  QG      7.50                
 24 SER  QB     28 MET  QE      7.50                
 25 ASN  HN     26 PRO  HD2     5.50                
 25 ASN  HN     26 PRO  HD3     5.50                
 25 ASN  HN     28 MET  HN      5.50                
 25 ASN  HN     28 MET  HB2     5.50                
 25 ASN  HN     28 MET  HB3     5.50                
 25 ASN  HN     28 MET  QG      5.10                
 25 ASN  HN     29 LEU  QB      6.38                
 25 ASN  HA     26 PRO  HG2     5.50                
 25 ASN  HA     26 PRO  HG3     5.50                
 25 ASN  HA     26 PRO  HD2     3.60                
 25 ASN  HA     26 PRO  HD3     3.60                
 25 ASN  HA     27 CYS  HN      5.50                
 25 ASN  HB2    26 PRO  HG2     7.25                
 25 ASN  HB2    26 PRO  HG3     7.25                
 25 ASN  HB2    26 PRO  HD2     5.35                
 25 ASN  HB2    26 PRO  HD3     5.35                
 25 ASN  HB2    27 CYS  HN      5.50                
 25 ASN  HB2    27 CYS  HB2     5.35                
 25 ASN  HB2    27 CYS  HB3     5.35                
 25 ASN  HB3    26 PRO  HG2     7.25                
 25 ASN  HB3    26 PRO  HG3     7.25                
 25 ASN  HB3    26 PRO  HD2     5.35                
 25 ASN  HB3    26 PRO  HD3     5.35                
 25 ASN  HB3    27 CYS  HN      5.50                
 25 ASN  HB3    27 CYS  HB2     5.35                
 25 ASN  HB3    27 CYS  HB3     5.35                
 25 ASN  QB     26 PRO  QG      6.32                
 25 ASN  QB     26 PRO  QD      4.39                
 25 ASN  QB     27 CYS  QB      4.39                
 25 ASN  QB     28 MET  HN      6.38                
 25 ASN  QD2    28 MET  QB      7.24                
 26 PRO  HA     27 CYS  HA      5.50                
 26 PRO  HA     28 MET  HN      5.50                
 26 PRO  HA     29 LEU  HN      5.50                
 26 PRO  HA     29 LEU  HB2     5.50                
 26 PRO  HA     29 LEU  HB3     5.50                
 26 PRO  HA     29 LEU  QD1     5.80                
 26 PRO  HA     29 LEU  QD2     5.80                
 26 PRO  HA     29 LEU  QQD     4.69                
 26 PRO  HA     30 THR  HN      5.50                
 26 PRO  HA     45 GLU  HA      5.50                
 26 PRO  HB2    29 LEU  HB2     7.25                
 26 PRO  HB2    29 LEU  HB3     7.25                
 26 PRO  HB2    29 LEU  QD1     7.55                
 26 PRO  HB2    29 LEU  QD2     7.55                
 26 PRO  HB3    29 LEU  HB2     7.25                
 26 PRO  HB3    29 LEU  HB3     7.25                
 26 PRO  HB3    29 LEU  QD1     7.55                
 26 PRO  HB3    29 LEU  QD2     7.55                
 26 PRO  QB     29 LEU  QB      6.32                
 26 PRO  QB     29 LEU  QQD     6.49                
 26 PRO  QB     30 THR  QG2     6.68                
 26 PRO  HG2    27 CYS  HN      5.50                
 26 PRO  HG3    27 CYS  HN      5.50                
 26 PRO  QD     27 CYS  HN      4.48                
 26 PRO  QD     27 CYS  QB      5.35                
 27 CYS  HN     27 CYS  HB2     3.60                
 27 CYS  HN     27 CYS  HB3     3.60                
 27 CYS  HN     28 MET  HN      3.60                
 27 CYS  HN     28 MET  QB      6.38                
 27 CYS  HN     28 MET  QG      6.50                
 27 CYS  HN     29 LEU  HN      5.50                
 27 CYS  HA     28 MET  HN      3.60                
 27 CYS  HA     28 MET  HA      5.50                
 27 CYS  HA     29 LEU  HN      5.50                
 27 CYS  HA     30 THR  HN      5.50                
 27 CYS  HA     30 THR  HB      5.50                
 27 CYS  HA     30 THR  QG2     3.90                
 27 CYS  HA     31 CYS  HN      5.50                
 27 CYS  HB2    28 MET  HN      3.60                
 27 CYS  HB3    28 MET  HN      3.60                
 28 MET  HN     28 MET  HB2     3.60                
 28 MET  HN     28 MET  HB3     3.60                
 28 MET  HN     28 MET  QG      4.10                
 28 MET  HN     28 MET  QE      5.80                
 28 MET  HN     29 LEU  HN      3.60                
 28 MET  HN     29 LEU  HB2     5.50                
 28 MET  HN     29 LEU  HB3     5.50                
 28 MET  HN     31 CYS  HN      5.50                
 28 MET  HA     29 LEU  HN      3.60                
 28 MET  HA     30 THR  HN      5.50                
 28 MET  HA     31 CYS  HN      5.50                
 28 MET  HA     31 CYS  HB2     3.60                
 28 MET  HA     31 CYS  HB3     3.60                
 28 MET  HA     32 ALA  HN      5.50                
 28 MET  HB2    28 MET  QE      3.90                
 28 MET  HB2    29 LEU  HN      3.60                
 28 MET  HB2    29 LEU  HA      5.50                
 28 MET  HB2    29 LEU  HB2     7.25                
 28 MET  HB2    29 LEU  HB3     7.25                
 28 MET  HB3    28 MET  QE      3.90                
 28 MET  HB3    29 LEU  HN      3.60                
 28 MET  HB3    29 LEU  HA      5.50                
 28 MET  HB3    29 LEU  HB2     7.25                
 28 MET  HB3    29 LEU  HB3     7.25                
 28 MET  QB     29 LEU  QB      6.32                
 28 MET  QB     31 CYS  QB      7.25                
 28 MET  QG     29 LEU  HN      5.10                
 28 MET  O      32 ALA  N       3.00                
 28 MET  O      32 ALA  HN      2.00                
 29 LEU  HN     29 LEU  HB2     2.70                
 29 LEU  HN     29 LEU  HB3     2.70                
 29 LEU  HN     29 LEU  QD1     5.80                
 29 LEU  HN     29 LEU  QD2     5.80                
 29 LEU  HN     30 THR  HN      3.60                
 29 LEU  HN     31 CYS  HN      5.50                
 29 LEU  HA     29 LEU  HG      3.60                
 29 LEU  HA     29 LEU  QD1     5.80                
 29 LEU  HA     29 LEU  QD2     5.80                
 29 LEU  HA     31 CYS  HN      5.50                
 29 LEU  HA     32 ALA  HN      5.50                
 29 LEU  HA     32 ALA  QB      5.80                
 29 LEU  HA     33 LYS  HN      5.50                
 29 LEU  HA     40 LEU  QQD     7.37                
 29 LEU  HB2    30 THR  HN      3.60                
 29 LEU  HB2    40 LEU  QD1     5.65                
 29 LEU  HB2    40 LEU  QD2     5.65                
 29 LEU  HB3    30 THR  HN      3.60                
 29 LEU  HB3    40 LEU  QD1     5.65                
 29 LEU  HB3    40 LEU  QD2     5.65                
 29 LEU  QB     40 LEU  QQD     4.51                
 29 LEU  HG     30 THR  HN      5.50                
 29 LEU  HG     32 ALA  QB      5.80                
 29 LEU  HG     40 LEU  QB      6.38                
 29 LEU  HG     40 LEU  HG      3.60                
 29 LEU  HG     40 LEU  QD1     5.80                
 29 LEU  HG     40 LEU  QD2     5.80                
 29 LEU  QD1    30 THR  HN      5.80                
 29 LEU  QD1    33 LYS  HB2     8.94                
 29 LEU  QD1    33 LYS  HB3     8.94                
 29 LEU  QD1    40 LEU  HB2     8.94                
 29 LEU  QD1    40 LEU  HB3     8.94                
 29 LEU  QD1    40 LEU  HG      5.80                
 29 LEU  QD1    40 LEU  QD1     6.80                
 29 LEU  QD1    40 LEU  QD2     6.80                
 29 LEU  QD1    42 GLN  HN      5.80                
 29 LEU  QD1    42 GLN  HA      3.90                
 29 LEU  QD1    42 GLN  HB2     7.55                
 29 LEU  QD1    42 GLN  HB3     7.55                
 29 LEU  QD1    42 GLN  HE21    8.94                
 29 LEU  QD1    42 GLN  HE22    8.94                
 29 LEU  QD2    30 THR  HN      5.80                
 29 LEU  QD2    33 LYS  HB2     8.94                
 29 LEU  QD2    33 LYS  HB3     8.94                
 29 LEU  QD2    40 LEU  HB2     8.94                
 29 LEU  QD2    40 LEU  HB3     8.94                
 29 LEU  QD2    40 LEU  HG      5.80                
 29 LEU  QD2    40 LEU  QD1     6.80                
 29 LEU  QD2    40 LEU  QD2     6.80                
 29 LEU  QD2    42 GLN  HN      5.80                
 29 LEU  QD2    42 GLN  HA      3.90                
 29 LEU  QD2    42 GLN  HB2     7.55                
 29 LEU  QD2    42 GLN  HB3     7.55                
 29 LEU  QD2    42 GLN  HE21    8.94                
 29 LEU  QD2    42 GLN  HE22    8.94                
 29 LEU  QQD    30 THR  HN      4.69                
 29 LEU  QQD    30 THR  HA      7.37                
 29 LEU  QQD    30 THR  HB      7.37                
 29 LEU  QQD    30 THR  QG2     8.37                
 29 LEU  QQD    32 ALA  HN      7.37                
 29 LEU  QQD    32 ALA  QB      8.37                
 29 LEU  QQD    33 LYS  HN      7.37                
 29 LEU  QQD    33 LYS  QB      7.32                
 29 LEU  QQD    33 LYS  QG      8.25                
 29 LEU  QQD    33 LYS  QD      6.35                
 29 LEU  QQD    40 LEU  HA      7.37                
 29 LEU  QQD    40 LEU  QB      7.32                
 29 LEU  QQD    40 LEU  QQD     4.96                
 29 LEU  QQD    41 VAL  HN      7.37                
 29 LEU  QQD    41 VAL  HA      7.37                
 29 LEU  QQD    41 VAL  HB      7.37                
 29 LEU  QQD    42 GLN  HN      4.69                
 29 LEU  QQD    42 GLN  QB      5.59                
 29 LEU  QQD    42 GLN  QE2     7.32                
 29 LEU  QQD    43 VAL  HN      7.37                
 29 LEU  O      33 LYS  N       3.00                
 29 LEU  O      33 LYS  HN      2.00                
 30 THR  HN     30 THR  HB      3.60                
 30 THR  HN     30 THR  QG2     3.90                
 30 THR  HN     31 CYS  HN      3.60                
 30 THR  HN     31 CYS  QB      6.38                
 30 THR  HN     33 LYS  HN      5.50                
 30 THR  HN     40 LEU  HG      5.50                
 30 THR  HA     32 ALA  HN      5.50                
 30 THR  HA     33 LYS  HN      3.60                
 30 THR  HA     33 LYS  HB2     5.50                
 30 THR  HA     33 LYS  HB3     5.50                
 30 THR  HA     33 LYS  QG      6.38                
 30 THR  HA     33 LYS  QD      6.38                
 30 THR  HA     34 HIS  HN      5.50                
 30 THR  HB     31 CYS  HN      5.50                
 30 THR  HB     31 CYS  HA      5.50                
 30 THR  HB     33 LYS  QB      6.38                
 30 THR  QG2    31 CYS  HN      5.80                
 30 THR  QG2    31 CYS  HA      5.80                
 30 THR  QG2    32 ALA  HN      5.80                
 30 THR  QG2    33 LYS  HN      5.80                
 30 THR  QG2    33 LYS  QB      6.68                
 30 THR  QG2    34 HIS  HN      5.80                
 30 THR  QG2    40 LEU  QQD     8.37                
 30 THR  O      34 HIS  N       3.00                
 30 THR  O      34 HIS  HN      2.00                
 31 CYS  HN     31 CYS  HB2     3.60                
 31 CYS  HN     31 CYS  HB3     3.60                
 31 CYS  HN     32 ALA  HN      3.60                
 31 CYS  HN     32 ALA  QB      5.80                
 31 CYS  HN     33 LYS  HN      5.50                
 31 CYS  HA     32 ALA  HA      5.50                
 31 CYS  HA     33 LYS  HN      5.50                
 31 CYS  HA     34 HIS  HN      5.50                
 31 CYS  HA     34 HIS  HB2     5.50                
 31 CYS  HA     34 HIS  HB3     5.50                
 31 CYS  HA     35 GLU  HN      5.50                
 31 CYS  HA     35 GLU  QB      6.38                
 31 CYS  QB     32 ALA  HN      4.48                
 31 CYS  QB     32 ALA  QB      6.68                
 31 CYS  O      35 GLU  N       3.00                
 31 CYS  O      35 GLU  HN      2.00                
 32 ALA  HN     32 ALA  QB      3.00                
 32 ALA  HN     33 LYS  HN      3.60                
 32 ALA  HN     33 LYS  QB      6.38                
 32 ALA  HN     40 LEU  QQD     7.37                
 32 ALA  HA     33 LYS  HA      5.50                
 32 ALA  HA     34 HIS  HN      5.50                
 32 ALA  HA     35 GLU  HN      5.50                
 32 ALA  HA     35 GLU  QB      4.48                
 32 ALA  HA     35 GLU  HG2     5.50                
 32 ALA  HA     35 GLU  HG3     5.50                
 32 ALA  HA     37 ASN  QD2     6.37                
 32 ALA  QB     33 LYS  HN      3.00                
 32 ALA  QB     33 LYS  HA      5.80                
 32 ALA  QB     34 HIS  HN      5.80                
 32 ALA  QB     35 GLU  HN      5.80                
 32 ALA  QB     37 ASN  HD21    5.80                
 32 ALA  QB     37 ASN  HD22    5.80                
 32 ALA  QB     40 LEU  QB      6.68                
 32 ALA  QB     40 LEU  QD1     6.80                
 32 ALA  QB     40 LEU  QD2     6.80                
 32 ALA  QB     40 LEU  QQD     5.71                
 32 ALA  O      36 GLY  N       3.00                
 32 ALA  O      36 GLY  HN      2.00                
 33 LYS  HN     33 LYS  HB2     3.60                
 33 LYS  HN     33 LYS  HB3     3.60                
 33 LYS  HN     33 LYS  QB      3.06                
 33 LYS  HN     33 LYS  QG      4.48                
 33 LYS  HN     33 LYS  HD2     5.50                
 33 LYS  HN     33 LYS  HD3     5.50                
 33 LYS  HN     34 HIS  HN      3.60                
 33 LYS  HN     35 GLU  HN      3.60                
 33 LYS  HN     37 ASN  QB      6.38                
 33 LYS  HN     40 LEU  HG      5.50                
 33 LYS  HN     40 LEU  QD1     5.80                
 33 LYS  HN     40 LEU  QD2     5.80                
 33 LYS  HN     40 LEU  QQD     4.69                
 33 LYS  HA     33 LYS  HD2     5.50                
 33 LYS  HA     33 LYS  HD3     5.50                
 33 LYS  HA     34 HIS  HA      5.50                
 33 LYS  HA     35 GLU  HN      5.50                
 33 LYS  HA     37 ASN  HN      3.60                
 33 LYS  HA     37 ASN  HB2     3.60                
 33 LYS  HA     37 ASN  HB3     3.60                
 33 LYS  HA     37 ASN  HD21    5.50                
 33 LYS  HA     37 ASN  HD22    5.50                
 33 LYS  HA     39 ASP  HN      5.50                
 33 LYS  HA     40 LEU  HN      5.50                
 33 LYS  HA     40 LEU  HB2     5.50                
 33 LYS  HA     40 LEU  HB3     5.50                
 33 LYS  HA     40 LEU  HG      5.50                
 33 LYS  HA     40 LEU  QQD     7.37                
 33 LYS  HB2    33 LYS  HD2     3.60                
 33 LYS  HB2    33 LYS  HD3     3.60                
 33 LYS  HB2    33 LYS  HE2     5.35                
 33 LYS  HB2    33 LYS  HE3     5.35                
 33 LYS  HB2    34 HIS  HN      3.60                
 33 LYS  HB3    33 LYS  HD2     3.60                
 33 LYS  HB3    33 LYS  HD3     3.60                
 33 LYS  HB3    33 LYS  HE2     5.35                
 33 LYS  HB3    33 LYS  HE3     5.35                
 33 LYS  HB3    34 HIS  HN      3.60                
 33 LYS  QB     33 LYS  QE      4.39                
 33 LYS  QB     34 HIS  HA      6.38                
 33 LYS  QB     35 GLU  HN      6.38                
 33 LYS  QB     37 ASN  QB      7.25                
 33 LYS  QB     38 PRO  HA      6.38                
 33 LYS  QB     40 LEU  HN      6.38                
 33 LYS  QB     40 LEU  HG      4.48                
 33 LYS  QB     40 LEU  QQD     6.35                
 33 LYS  QB     41 VAL  HA      6.38                
 33 LYS  HG2    33 LYS  HE2     3.60                
 33 LYS  HG2    33 LYS  HE3     3.60                
 33 LYS  HG2    38 PRO  HA      5.50                
 33 LYS  HG2    40 LEU  QD1     7.04                
 33 LYS  HG2    40 LEU  QD2     7.04                
 33 LYS  HG3    33 LYS  HE2     3.60                
 33 LYS  HG3    33 LYS  HE3     3.60                
 33 LYS  HG3    38 PRO  HA      5.50                
 33 LYS  HG3    40 LEU  QD1     7.04                
 33 LYS  HG3    40 LEU  QD2     7.04                
 33 LYS  QG     34 HIS  HA      6.38                
 33 LYS  QG     37 ASN  HN      6.38                
 33 LYS  QG     37 ASN  QB      7.25                
 33 LYS  QG     40 LEU  QB      5.35                
 33 LYS  QG     40 LEU  HG      6.38                
 33 LYS  QG     40 LEU  QQD     5.02                
 33 LYS  HD2    34 HIS  HN      5.50                
 33 LYS  HD2    38 PRO  HA      5.50                
 33 LYS  HD2    40 LEU  HN      5.50                
 33 LYS  HD2    40 LEU  HB2     7.25                
 33 LYS  HD2    40 LEU  HB3     7.25                
 33 LYS  HD2    40 LEU  HG      3.60                
 33 LYS  HD2    40 LEU  QD1     5.65                
 33 LYS  HD2    40 LEU  QD2     5.65                
 33 LYS  HD2    41 VAL  HN      5.50                
 33 LYS  HD3    34 HIS  HN      5.50                
 33 LYS  HD3    38 PRO  HA      5.50                
 33 LYS  HD3    40 LEU  HN      5.50                
 33 LYS  HD3    40 LEU  HB2     7.25                
 33 LYS  HD3    40 LEU  HB3     7.25                
 33 LYS  HD3    40 LEU  HG      3.60                
 33 LYS  HD3    40 LEU  QD1     5.65                
 33 LYS  HD3    40 LEU  QD2     5.65                
 33 LYS  HD3    41 VAL  HN      5.50                
 33 LYS  QD     40 LEU  HA      6.38                
 33 LYS  QD     40 LEU  QB      5.86                
 33 LYS  QD     40 LEU  QQD     4.51                
 33 LYS  HE2    38 PRO  HA      5.50                
 33 LYS  HE2    40 LEU  HG      5.50                
 33 LYS  HE3    38 PRO  HA      5.50                
 33 LYS  HE3    40 LEU  HG      5.50                
 33 LYS  QE     40 LEU  QB      5.35                
 33 LYS  O      37 ASN  N       3.00                
 33 LYS  O      37 ASN  HN      2.00                
 34 HIS  HN     34 HIS  HB2     3.60                
 34 HIS  HN     34 HIS  HB3     3.60                
 34 HIS  HN     35 GLU  HN      3.60                
 34 HIS  HN     36 GLY  HN      5.50                
 34 HIS  HN     40 LEU  QQD     7.37                
 34 HIS  HA     35 GLU  HN      3.60                
 34 HIS  HA     35 GLU  HA      5.50                
 34 HIS  HA     38 PRO  HA      5.50                
 34 HIS  HA     38 PRO  QB      6.38                
 34 HIS  HB2    35 GLU  HN      3.60                
 34 HIS  HB2    35 GLU  HA      5.50                
 34 HIS  HB3    35 GLU  HN      3.60                
 34 HIS  HB3    35 GLU  HA      5.50                
 35 GLU  HN     35 GLU  HB2     3.60                
 35 GLU  HN     35 GLU  HB3     3.60                
 35 GLU  HN     35 GLU  QB      3.06                
 35 GLU  HN     35 GLU  HG2     5.50                
 35 GLU  HN     35 GLU  HG3     5.50                
 35 GLU  HN     36 GLY  HN      5.50                
 35 GLU  HN     37 ASN  HN      5.50                
 35 GLU  HN     37 ASN  QB      6.38                
 35 GLU  HA     36 GLY  HN      3.60                
 35 GLU  HA     36 GLY  HA1     5.50                
 35 GLU  HA     36 GLY  HA2     5.50                
 35 GLU  HA     37 ASN  HN      5.50                
 36 GLY  HN     37 ASN  HN      3.60                
 36 GLY  HN     37 ASN  HA      5.50                
 36 GLY  HN     37 ASN  QB      6.38                
 36 GLY  HA1    37 ASN  HN      3.60                
 36 GLY  HA1    37 ASN  HB2     7.25                
 36 GLY  HA1    37 ASN  HB3     7.25                
 36 GLY  HA1    38 PRO  HD2     7.25                
 36 GLY  HA1    38 PRO  HD3     7.25                
 36 GLY  HA2    37 ASN  HN      3.60                
 36 GLY  HA2    37 ASN  HB2     7.25                
 36 GLY  HA2    37 ASN  HB3     7.25                
 36 GLY  HA2    38 PRO  HD2     7.25                
 36 GLY  HA2    38 PRO  HD3     7.25                
 36 GLY  QA     37 ASN  HA      6.38                
 36 GLY  QA     37 ASN  QB      6.32                
 36 GLY  QA     38 PRO  QD      5.86                
 37 ASN  HN     37 ASN  HB2     3.60                
 37 ASN  HN     37 ASN  HB3     3.60                
 37 ASN  HN     38 PRO  HA      5.50                
 37 ASN  HN     38 PRO  QG      6.38                
 37 ASN  HN     38 PRO  QD      4.48                
 37 ASN  HA     38 PRO  QB      6.01                
 37 ASN  HA     38 PRO  HG2     5.50                
 37 ASN  HA     38 PRO  HG3     5.50                
 37 ASN  HA     38 PRO  HD2     3.60                
 37 ASN  HA     38 PRO  HD3     3.60                
 37 ASN  HA     39 ASP  HN      5.50                
 37 ASN  HA     39 ASP  QB      4.48                
 37 ASN  HA     40 LEU  QB      6.38                
 37 ASN  HB2    38 PRO  HD2     5.50                
 37 ASN  HB2    38 PRO  HD3     5.50                
 37 ASN  HB2    40 LEU  HN      5.50                
 37 ASN  HB2    40 LEU  HB2     5.50                
 37 ASN  HB2    40 LEU  HB3     5.50                
 37 ASN  HB2    40 LEU  HG      5.50                
 37 ASN  HB2    40 LEU  QD1     8.94                
 37 ASN  HB2    40 LEU  QD2     8.94                
 37 ASN  HB3    38 PRO  HD2     5.50                
 37 ASN  HB3    38 PRO  HD3     5.50                
 37 ASN  HB3    40 LEU  HN      5.50                
 37 ASN  HB3    40 LEU  HB2     5.50                
 37 ASN  HB3    40 LEU  HB3     5.50                
 37 ASN  HB3    40 LEU  HG      5.50                
 37 ASN  HB3    40 LEU  QD1     8.94                
 37 ASN  HB3    40 LEU  QD2     8.94                
 37 ASN  QB     40 LEU  HA      6.38                
 37 ASN  QB     40 LEU  QQD     7.32                
 37 ASN  HD21   40 LEU  HA      5.50                
 37 ASN  HD21   40 LEU  HB2     7.25                
 37 ASN  HD21   40 LEU  HB3     7.25                
 37 ASN  HD21   40 LEU  HG      5.50                
 37 ASN  HD21   40 LEU  QD1     8.94                
 37 ASN  HD21   40 LEU  QD2     8.94                
 37 ASN  HD22   40 LEU  HA      5.50                
 37 ASN  HD22   40 LEU  HB2     7.25                
 37 ASN  HD22   40 LEU  HB3     7.25                
 37 ASN  HD22   40 LEU  HG      5.50                
 37 ASN  HD22   40 LEU  QD1     8.94                
 37 ASN  HD22   40 LEU  QD2     8.94                
 37 ASN  QD2    40 LEU  QB      6.32                
 37 ASN  QD2    40 LEU  QQD     7.32                
 38 PRO  HA     39 ASP  HA      5.50                
 38 PRO  HA     40 LEU  HN      5.50                
 38 PRO  QB     39 ASP  HN      4.12                
 38 PRO  QB     39 ASP  QB      7.25                
 38 PRO  HG2    39 ASP  HN      5.50                
 38 PRO  HG3    39 ASP  HN      5.50                
 38 PRO  QG     39 ASP  HA      6.38                
 38 PRO  QG     39 ASP  QB      7.25                
 38 PRO  HD2    39 ASP  HN      5.50                
 38 PRO  HD3    39 ASP  HN      5.50                
 38 PRO  QD     39 ASP  QB      7.25                
 38 PRO  QD     40 LEU  HN      6.38                
 39 ASP  HN     39 ASP  HB2     3.60                
 39 ASP  HN     39 ASP  HB3     3.60                
 39 ASP  HN     39 ASP  QB      3.06                
 39 ASP  HN     40 LEU  HN      2.70                
 39 ASP  HN     40 LEU  HA      5.50                
 39 ASP  HN     40 LEU  HB2     5.50                
 39 ASP  HN     40 LEU  HB3     5.50                
 39 ASP  HA     40 LEU  HN      3.60                
 39 ASP  HA     40 LEU  QB      6.38                
 39 ASP  HA     41 VAL  QQG     7.36                
 39 ASP  HB2    40 LEU  HN      3.60                
 39 ASP  HB2    40 LEU  HA      5.50                
 39 ASP  HB2    41 VAL  QG1     8.92                
 39 ASP  HB2    41 VAL  QG2     8.92                
 39 ASP  HB3    40 LEU  HN      3.60                
 39 ASP  HB3    40 LEU  HA      5.50                
 39 ASP  HB3    41 VAL  QG1     8.92                
 39 ASP  HB3    41 VAL  QG2     8.92                
 39 ASP  QB     40 LEU  QB      7.25                
 39 ASP  QB     41 VAL  QQG     7.31                
 40 LEU  HN     40 LEU  HB2     3.60                
 40 LEU  HN     40 LEU  HB3     3.60                
 40 LEU  HN     40 LEU  HG      5.50                
 40 LEU  HN     40 LEU  QD1     5.80                
 40 LEU  HN     40 LEU  QD2     5.80                
 40 LEU  HN     40 LEU  QQD     4.69                
 40 LEU  HN     41 VAL  HN      5.50                
 40 LEU  HA     40 LEU  HG      3.60                
 40 LEU  HA     40 LEU  QD1     5.80                
 40 LEU  HA     40 LEU  QD2     5.80                
 40 LEU  HA     41 VAL  HN      2.70                
 40 LEU  HA     41 VAL  HB      5.50                
 40 LEU  HA     41 VAL  QQG     5.46                
 40 LEU  HB2    41 VAL  HN      5.50                
 40 LEU  HB3    41 VAL  HN      5.50                
 40 LEU  QB     41 VAL  QQG     6.34                
 40 LEU  HG     41 VAL  HN      3.60                
 40 LEU  HG     41 VAL  HA      5.50                
 40 LEU  HG     41 VAL  QQG     5.46                
 40 LEU  QD1    41 VAL  HN      5.80                
 40 LEU  QD2    41 VAL  HN      5.80                
 40 LEU  QQD    41 VAL  QQG     8.03                
 40 LEU  QQD    43 VAL  QQG     8.03                
 41 VAL  HN     41 VAL  QG1     3.90                
 41 VAL  HN     41 VAL  QG2     3.90                
 41 VAL  HN     41 VAL  QQG     3.11                
 41 VAL  HN     42 GLN  HN      5.50                
 41 VAL  HN     42 GLN  HA      5.50                
 41 VAL  HN     43 VAL  QQG     7.36                
 41 VAL  HA     42 GLN  HN      2.70                
 41 VAL  HA     42 GLN  QB      6.38                
 41 VAL  HB     42 GLN  HN      3.60                
 41 VAL  HB     42 GLN  HA      5.50                
 41 VAL  QG1    42 GLN  HN      5.80                
 41 VAL  QG1    43 VAL  QG1     8.02                
 41 VAL  QG1    43 VAL  QG2     8.02                
 41 VAL  QG2    42 GLN  HN      5.80                
 41 VAL  QG2    43 VAL  QG1     8.02                
 41 VAL  QG2    43 VAL  QG2     8.02                
 41 VAL  QQG    42 GLN  HA      7.36                
 41 VAL  QQG    43 VAL  HA      7.36                
 41 VAL  QQG    43 VAL  QQG     6.27                
 42 GLN  HN     42 GLN  QB      3.81                
 42 GLN  HN     43 VAL  HN      5.50                
 42 GLN  HA     42 GLN  QE2     6.37                
 42 GLN  HA     43 VAL  HN      3.60                
 42 GLN  HA     43 VAL  HA      5.50                
 42 GLN  HA     43 VAL  QG1     5.80                
 42 GLN  HA     43 VAL  QG2     5.80                
 42 GLN  HA     44 HIS  HN      5.50                
 42 GLN  HB2    42 GLN  HE21    7.25                
 42 GLN  HB2    42 GLN  HE22    7.25                
 42 GLN  HB3    42 GLN  HE21    7.25                
 42 GLN  HB3    42 GLN  HE22    7.25                
 42 GLN  QB     43 VAL  HN      4.48                
 42 GLN  QG     44 HIS  QB      5.98                
 42 GLN  HE21   43 VAL  QG1     8.92                
 42 GLN  HE21   43 VAL  QG2     8.92                
 42 GLN  HE21   45 GLU  HG2     5.50                
 42 GLN  HE21   45 GLU  HG3     5.50                
 42 GLN  HE22   43 VAL  QG1     8.92                
 42 GLN  HE22   43 VAL  QG2     8.92                
 42 GLN  HE22   45 GLU  HG2     5.50                
 42 GLN  HE22   45 GLU  HG3     5.50                
 42 GLN  QE2    43 VAL  QQG     7.31                
 42 GLN  QE2    45 GLU  HA      6.37                
 43 VAL  HN     43 VAL  HA      2.70                
 43 VAL  HN     43 VAL  HB      3.60                
 43 VAL  HN     43 VAL  QQG     3.76                
 43 VAL  HN     44 HIS  HN      2.70                
 43 VAL  HN     44 HIS  HA      5.50                
 43 VAL  HB     44 HIS  HN      3.60                
 43 VAL  QG1    44 HIS  HN      5.80                
 43 VAL  QG1    44 HIS  HB2     7.55                
 43 VAL  QG1    44 HIS  HB3     7.55                
 43 VAL  QG2    44 HIS  HN      5.80                
 43 VAL  QG2    44 HIS  HB2     7.55                
 43 VAL  QG2    44 HIS  HB3     7.55                
 43 VAL  QQG    44 HIS  HN      4.69                
 43 VAL  QQG    44 HIS  QB      6.49                
 44 HIS  HN     45 GLU  HA      5.50                
 44 HIS  HN     45 GLU  QB      6.38                
 44 HIS  HA     45 GLU  HN      2.70                
 44 HIS  QB     45 GLU  HN      4.48                
 44 HIS  QB     45 GLU  HA      6.38                
 45 GLU  HN     45 GLU  QB      3.81                
 45 GLU  HN     45 GLU  HG2     5.50                
 45 GLU  HN     45 GLU  HG3     5.50                
 45 GLU  HN     46 GLY  HN      5.50                
 45 GLU  HA     46 GLY  HN      3.60                
 45 GLU  HA     46 GLY  HA1     5.50                
 45 GLU  HA     46 GLY  HA2     5.50                
 45 GLU  HB2    46 GLY  HN      5.50                
 45 GLU  HB3    46 GLY  HN      5.50                
 45 GLU  QB     46 GLY  QA      7.25                
 45 GLU  QG     46 GLY  HN      4.48                
 46 GLY  HN     47 PRO  HD2     5.50                
 46 GLY  HN     47 PRO  HD3     5.50                
 47 PRO  HA     48 CYS  HN      2.70                
 47 PRO  HA     49 ASP  HN      5.50                
 47 PRO  QB     49 ASP  HN      6.50                
 47 PRO  QB     49 ASP  QB      7.50                
 48 CYS  HN     48 CYS  HB2     3.60                
 48 CYS  HN     48 CYS  HB3     3.60                
 48 CYS  HN     49 ASP  HN      5.50                
 48 CYS  HA     49 ASP  HN      3.60                
 48 CYS  HA     49 ASP  HA      5.50                
 48 CYS  HB2    49 ASP  HN      3.60                
 48 CYS  HB2    49 ASP  QB      6.50                
 48 CYS  HB3    49 ASP  HN      3.60                
 48 CYS  HB3    49 ASP  QB      6.50                
 48 CYS  QB     49 ASP  HA      4.48                
 48 CYS  QB     49 ASP  QB      5.78                
 49 ASP  HN     49 ASP  HA      2.70                
 49 ASP  HN     49 ASP  QB      3.70                
 49 ASP  HN     50 GLU  HN      5.50                
 49 ASP  HA     50 GLU  HN      3.60                
 49 ASP  QB     50 GLU  HN      4.10                
 49 ASP  QB     50 GLU  HA      6.50                
 50 GLU  HN     50 GLU  QB      3.81                
 50 GLU  HA     52 ASP  HN      5.50                
 50 GLU  QG     51 HIS  HN      6.38                
 50 GLU  QG     52 ASP  HN      6.38                
 51 HIS  HN     52 ASP  HN      5.50                
 52 ASP  HN     52 ASP  HA      2.70                
 52 ASP  HN     52 ASP  QB      3.70                
 52 ASP  HN     53 HIS  HN      5.50                
 52 ASP  HA     53 HIS  HN      3.60                
 52 ASP  HA     53 HIS  HA      5.50                
 52 ASP  QB     54 ASP  HA      6.50                
 52 ASP  QB     54 ASP  QB      5.98                
 53 HIS  HN     53 HIS  QB      3.81                
 53 HIS  HN     54 ASP  HN      3.60                
 53 HIS  HA     54 ASP  HN      3.60                
 53 HIS  HA     54 ASP  HA      5.50                
 53 HIS  HB2    54 ASP  HN      5.50                
 53 HIS  HB3    54 ASP  HN      5.50                
 54 ASP  HN     54 ASP  QB      3.81                
 54 ASP  HN     55 PHE  HN      5.50                
 54 ASP  HA     55 PHE  HN      3.60                
 54 ASP  HA     55 PHE  HA      5.50                
 54 ASP  QB     55 PHE  HN      3.58                
 55 PHE  HN     55 PHE  QB      3.80                
#lol
 15 VAL  N      23 TYR  O       2.70                
 15 VAL  HN     23 TYR  O       1.80                
 15 VAL  O      23 TYR  N       2.70                
 15 VAL  O      23 TYR  HN      1.80                
 17 GLY  N      21 ASN  O       2.70                
 17 GLY  HN     21 ASN  O       1.80                
 28 MET  O      32 ALA  N       2.70                
 28 MET  O      32 ALA  HN      1.80                
 29 LEU  O      33 LYS  N       2.70                
 29 LEU  O      33 LYS  HN      1.80                
 30 THR  O      34 HIS  N       2.70                
 30 THR  O      34 HIS  HN      1.80                
 31 CYS  O      35 GLU  N       2.70                
 31 CYS  O      35 GLU  HN      1.80                
 32 ALA  O      36 GLY  N       2.70                
 32 ALA  O      36 GLY  HN      1.80                
 33 LYS  O      37 ASN  N       2.70                
 33 LYS  O      37 ASN  HN      1.80                
  6 CYS  CB     31 CYS  SG      3.00                
  6 CYS  SG     31 CYS  CB      3.00                
  6 CYS  SG     31 CYS  SG      2.00                
  8 CYS  CB     27 CYS  SG      3.00                
  8 CYS  SG     27 CYS  CB      3.00                
  8 CYS  SG     27 CYS  SG      2.00                
 16 CYS  CB     48 CYS  SG      3.00                
 16 CYS  SG     48 CYS  CB      3.00                
 16 CYS  SG     48 CYS  SG      2.00                

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    PHE   1          1H        PHE   1 -15.202   6.532   5.177
    2   2H    PHE   1          2H        PHE   1 -15.851   5.682   3.924
    3   3H    PHE   1          3H        PHE   1 -15.750   4.983   5.407
    4    HA   PHE   1           HA       PHE   1 -13.286   5.027   5.267
    5   1HB   PHE   1          2HB       PHE   1 -13.790   3.605   2.815
    6   2HB   PHE   1          1HB       PHE   1 -13.316   3.101   4.418
    7    HD1  PHE   1           HD1      PHE   1 -15.088   2.613   6.203
    8    HD2  PHE   1           HD2      PHE   1 -15.986   3.134   2.011
    9    HE1  PHE   1           HE1      PHE   1 -17.369   1.709   6.577
   10    HE2  PHE   1           HE2      PHE   1 -18.256   2.201   2.387
   11    HZ   PHE   1           HZ       PHE   1 -18.956   1.510   4.673
   12    H    GLN   2           H        GLN   2 -12.784   7.220   5.108
   13    HA   GLN   2           HA       GLN   2 -11.149   7.744   2.943
   14   1HB   GLN   2          1HB       GLN   2 -12.304   9.836   2.175
   15   2HB   GLN   2          2HB       GLN   2 -12.981   8.331   1.576
   16   1HG   GLN   2          1HG       GLN   2 -14.939   8.501   2.878
   17   2HG   GLN   2          2HG       GLN   2 -14.229   9.647   4.012
   18   1HE2  GLN   2          1HE2      GLN   2 -14.283  11.896   3.552
   19   2HE2  GLN   2          2HE2      GLN   2 -15.119  12.490   2.123
   20    H    GLY   3           H        GLY   3  -9.660   9.037   3.872
   21   1HA   GLY   3          1HA       GLY   3  -8.660  10.726   5.103
   22   2HA   GLY   3          2HA       GLY   3 -10.264  11.281   5.578
   23    H    ASN   4           H        ASN   4 -11.047   8.792   6.885
   24    HA   ASN   4           HA       ASN   4  -9.643   8.887   9.440
   25   1HB   ASN   4          1HB       ASN   4 -11.907   7.289   8.286
   26   2HB   ASN   4          2HB       ASN   4 -10.941   6.484   9.518
   27   1HD2  ASN   4          1HD2      ASN   4 -12.942   9.425   8.913
   28   2HD2  ASN   4          2HD2      ASN   4 -13.218   9.684  10.631
   29    HA   PRO   5           HA       PRO   5  -7.428   4.860   8.081
   30   1HB   PRO   5          1HB       PRO   5  -7.581   4.068   5.465
   31   2HB   PRO   5          2HB       PRO   5  -8.628   3.469   6.764
   32   1HG   PRO   5          1HG       PRO   5  -9.161   5.519   4.625
   33   2HG   PRO   5          2HG       PRO   5 -10.285   4.302   5.321
   34   1HD   PRO   5          1HD       PRO   5 -10.296   6.929   6.022
   35   2HD   PRO   5          2HD       PRO   5 -10.770   5.621   7.140
   36    H    CYS   6           H        CYS   6  -7.530   7.175   5.304
   37    HA   CYS   6           HA       CYS   6  -4.562   7.050   5.161
   38   1HB   CYS   6          1HB       CYS   6  -6.703   7.970   3.242
   39   2HB   CYS   6          2HB       CYS   6  -5.078   8.631   3.140
   40    H    GLU   7           H        GLU   7  -3.432   8.557   5.948
   41    HA   GLU   7           HA       GLU   7  -4.098  11.374   5.939
   42   1HB   GLU   7          1HB       GLU   7  -4.445   9.854   8.451
   43   2HB   GLU   7          2HB       GLU   7  -3.172  11.054   8.609
   44   1HG   GLU   7          1HG       GLU   7  -4.885  12.703   7.495
   45   2HG   GLU   7          2HG       GLU   7  -6.090  11.507   7.972
   46    H    CYS   8           H        CYS   8  -1.915   8.722   6.655
   47    HA   CYS   8           HA       CYS   8   0.418   9.812   7.302
   48   1HB   CYS   8          1HB       CYS   8  -0.496   7.452   5.772
   49   2HB   CYS   8          2HB       CYS   8   1.155   7.889   5.413
   50    HA   PRO   9           HA       PRO   9   2.049  12.344   4.286
   51   1HB   PRO   9          1HB       PRO   9   4.772  12.069   4.486
   52   2HB   PRO   9          2HB       PRO   9   3.758  12.699   5.804
   53   1HG   PRO   9          1HG       PRO   9   4.898   9.931   5.529
   54   2HG   PRO   9          2HG       PRO   9   4.749  10.951   6.994
   55   1HD   PRO   9          1HD       PRO   9   2.986   8.913   6.176
   56   2HD   PRO   9          2HD       PRO   9   2.593  10.173   7.356
   57    H    ARG  10           H        ARG  10   3.468  12.541   2.356
   58    HA   ARG  10           HA       ARG  10   3.125  10.253   0.538
   59   1HB   ARG  10          1HB       ARG  10   4.141  13.103   0.174
   60   2HB   ARG  10          2HB       ARG  10   4.024  11.935  -1.145
   61   1HG   ARG  10          1HG       ARG  10   1.714  11.954  -1.215
   62   2HG   ARG  10          2HG       ARG  10   1.540  12.281   0.500
   63   1HD   ARG  10          1HD       ARG  10   0.812  14.252  -0.375
   64   2HD   ARG  10          2HD       ARG  10   2.497  14.633   0.004
   65    HE   ARG  10           HE       ARG  10   2.238  13.663  -2.684
   66   1HH1  ARG  10          2HH2      ARG  10   1.651  16.527  -0.713
   67   2HH1  ARG  10          1HH2      ARG  10   1.569  17.640  -2.034
   68   1HH2  ARG  10          2HH1      ARG  10   2.097  15.112  -4.490
   69   2HH2  ARG  10          1HH1      ARG  10   1.836  16.798  -4.240
   70    H    ALA  11           H        ALA  11   4.821   9.545   2.596
   71    HA   ALA  11           HA       ALA  11   7.524   9.727   1.896
   72   1HB   ALA  11          1HB       ALA  11   6.025   7.758   3.669
   73   2HB   ALA  11          2HB       ALA  11   7.795   7.921   3.582
   74   3HB   ALA  11          3HB       ALA  11   6.810   9.268   4.186
   75    H    LEU  12           H        LEU  12   8.493   8.710   0.219
   76    HA   LEU  12           HA       LEU  12   7.210   6.751  -1.463
   77   1HB   LEU  12          1HB       LEU  12   9.811   8.297  -1.298
   78   2HB   LEU  12          2HB       LEU  12   9.761   6.929  -2.365
   79    HG   LEU  12           HG       LEU  12   9.288   9.181  -3.341
   80   1HD1  LEU  12          1HD1      LEU  12   7.692   8.277  -4.983
   81   2HD1  LEU  12          2HD1      LEU  12   8.862   7.031  -4.526
   82   3HD1  LEU  12          3HD1      LEU  12   7.216   6.994  -3.853
   83   1HD2  LEU  12          1HD2      LEU  12   7.045  10.075  -3.357
   84   2HD2  LEU  12          2HD2      LEU  12   6.477   8.812  -2.250
   85   3HD2  LEU  12          3HD2      LEU  12   7.662  10.026  -1.705
   86    H    HIS  13           H        HIS  13   7.195   5.615   1.006
   87    HA   HIS  13           HA       HIS  13   9.567   3.858   1.316
   88   1HB   HIS  13          1HB       HIS  13   8.473   5.012   3.276
   89   2HB   HIS  13          2HB       HIS  13   7.029   4.043   3.002
   90    HD1  HIS  13           HD1      HIS  13   7.115   2.379   5.050
   91    HD2  HIS  13           HD2      HIS  13  10.778   2.840   3.023
   92    HE1  HIS  13           HE1      HIS  13   8.755   0.716   6.091
   93    H    ARG  14           H        ARG  14   8.842   3.145  -0.994
   94    HA   ARG  14           HA       ARG  14   6.437   1.873  -1.506
   95   1HB   ARG  14          1HB       ARG  14   9.159   1.257  -2.730
   96   2HB   ARG  14          2HB       ARG  14   7.619   0.668  -3.361
   97   1HG   ARG  14          1HG       ARG  14   6.862   3.096  -3.568
   98   2HG   ARG  14          2HG       ARG  14   8.508   3.574  -3.128
   99   1HD   ARG  14          1HD       ARG  14   8.300   3.647  -5.527
  100   2HD   ARG  14          2HD       ARG  14   9.387   2.320  -5.087
  101    HE   ARG  14           HE       ARG  14   6.848   1.199  -5.257
  102   1HH1  ARG  14          2HH2      ARG  14   9.081   2.833  -7.465
  103   2HH1  ARG  14          1HH2      ARG  14   8.655   1.966  -8.879
  104   1HH2  ARG  14          2HH1      ARG  14   6.099   0.085  -7.153
  105   2HH2  ARG  14          1HH1      ARG  14   6.856   0.254  -8.675
  106    H    VAL  15           H        VAL  15   5.498  -0.107  -1.251
  107    HA   VAL  15           HA       VAL  15   7.058  -2.348  -0.099
  108    HB   VAL  15           HB       VAL  15   5.423  -2.813   1.557
  109   1HG1  VAL  15          1HG1      VAL  15   6.077   0.056   1.831
  110   2HG1  VAL  15          2HG1      VAL  15   6.043  -1.177   3.108
  111   3HG1  VAL  15          3HG1      VAL  15   7.345  -1.163   1.888
  112   1HG2  VAL  15          1HG2      VAL  15   3.929  -0.318   0.610
  113   2HG2  VAL  15          2HG2      VAL  15   3.338  -2.004   0.611
  114   3HG2  VAL  15          3HG2      VAL  15   3.614  -1.187   2.129
  115    H    CYS  16           H        CYS  16   5.314  -4.322   0.173
  116    HA   CYS  16           HA       CYS  16   3.758  -4.455  -2.353
  117   1HB   CYS  16          1HB       CYS  16   5.877  -5.606  -2.438
  118   2HB   CYS  16          2HB       CYS  16   5.575  -6.439  -0.943
  119    H    GLY  17           H        GLY  17   1.723  -5.217  -2.224
  120   1HA   GLY  17          1HA       GLY  17   0.692  -6.233   0.385
  121   2HA   GLY  17          2HA       GLY  17  -0.283  -5.689  -0.974
  122    H    SER  18           H        SER  18  -0.647  -8.154   0.227
  123    HA   SER  18           HA       SER  18   0.551 -10.320  -0.606
  124   1HB   SER  18          1HB       SER  18  -1.313 -11.613  -0.039
  125   2HB   SER  18          2HB       SER  18  -1.533 -10.119   0.863
  126    HG   SER  18           HG       SER  18  -3.041  -9.465  -0.793
  127    H    ASP  19           H        ASP  19  -1.551  -8.651  -2.851
  128    HA   ASP  19           HA       ASP  19  -1.607 -10.660  -4.870
  129   1HB   ASP  19          1HB       ASP  19  -2.004  -7.664  -4.762
  130   2HB   ASP  19          2HB       ASP  19  -2.200  -8.565  -6.270
  131    H    GLY  20           H        GLY  20   1.196  -9.165  -3.691
  132   1HA   GLY  20          1HA       GLY  20   3.290  -8.909  -4.630
  133   2HA   GLY  20          2HA       GLY  20   2.681  -9.331  -6.224
  134    H    ASN  21           H        ASN  21   0.498  -7.170  -4.970
  135    HA   ASN  21           HA       ASN  21   1.182  -5.241  -6.862
  136   1HB   ASN  21          1HB       ASN  21  -1.137  -6.050  -5.886
  137   2HB   ASN  21          2HB       ASN  21  -0.924  -4.694  -4.768
  138   1HD2  ASN  21          1HD2      ASN  21  -2.659  -5.385  -7.356
  139   2HD2  ASN  21          2HD2      ASN  21  -2.454  -3.920  -8.305
  140    H    THR  22           H        THR  22   2.873  -3.767  -6.522
  141    HA   THR  22           HA       THR  22   3.740  -3.107  -3.976
  142    HB   THR  22           HB       THR  22   4.247  -1.466  -6.469
  143    HG1  THR  22           HG1      THR  22   5.656  -2.969  -7.071
  144   1HG2  THR  22          1HG2      THR  22   6.096  -2.072  -4.114
  145   2HG2  THR  22          2HG2      THR  22   6.407  -0.936  -5.408
  146   3HG2  THR  22          3HG2      THR  22   5.159  -0.584  -4.202
  147    H    TYR  23           H        TYR  23   3.507  -1.243  -2.704
  148    HA   TYR  23           HA       TYR  23   1.335   0.704  -3.333
  149   1HB   TYR  23          1HB       TYR  23   1.996  -0.887  -0.860
  150   2HB   TYR  23          2HB       TYR  23   1.514   0.776  -0.633
  151    HD1  TYR  23           HD1      TYR  23   0.384  -2.463  -2.162
  152    HD2  TYR  23           HD2      TYR  23  -0.719   1.443  -0.711
  153    HE1  TYR  23           HE1      TYR  23  -2.014  -3.088  -2.312
  154    HE2  TYR  23           HE2      TYR  23  -3.106   0.844  -0.856
  155    HH   TYR  23           HH       TYR  23  -4.610  -0.716  -1.607
  156    H    SER  24           H        SER  24   1.922   2.836  -3.012
  157    HA   SER  24           HA       SER  24   4.548   3.713  -3.032
  158   1HB   SER  24          1HB       SER  24   2.537   5.094  -3.632
  159   2HB   SER  24          2HB       SER  24   2.198   5.268  -1.898
  160    HG   SER  24           HG       SER  24   4.439   6.101  -1.778
  161    H    ASN  25           H        ASN  25   2.608   2.863  -0.164
  162    HA   ASN  25           HA       ASN  25   4.858   2.696   1.435
  163   1HB   ASN  25          1HB       ASN  25   4.274   4.368   3.226
  164   2HB   ASN  25          2HB       ASN  25   4.938   5.004   1.767
  165   1HD2  ASN  25          1HD2      ASN  25   4.075   6.956   1.305
  166   2HD2  ASN  25          2HD2      ASN  25   2.492   7.470   1.831
  167    HA   PRO  26           HA       PRO  26   2.163  -0.168   3.307
  168   1HB   PRO  26          1HB       PRO  26   3.056  -0.491   5.851
  169   2HB   PRO  26          2HB       PRO  26   3.971  -1.017   4.413
  170   1HG   PRO  26          1HG       PRO  26   4.349   1.504   6.037
  171   2HG   PRO  26          2HG       PRO  26   5.600   0.383   5.405
  172   1HD   PRO  26          1HD       PRO  26   4.898   2.724   4.195
  173   2HD   PRO  26          2HD       PRO  26   5.495   1.341   3.283
  174    H    CYS  27           H        CYS  27   2.341   3.078   4.560
  175    HA   CYS  27           HA       CYS  27   0.171   2.864   6.431
  176   1HB   CYS  27          1HB       CYS  27   2.045   4.774   6.081
  177   2HB   CYS  27          2HB       CYS  27   0.768   5.460   5.079
  178    H    MET  28           H        MET  28   0.403   3.877   2.948
  179    HA   MET  28           HA       MET  28  -2.424   4.216   2.676
  180   1HB   MET  28          1HB       MET  28  -0.229   3.687   0.670
  181   2HB   MET  28          2HB       MET  28  -1.937   3.642   0.216
  182   1HG   MET  28          1HG       MET  28  -1.905   5.982   1.617
  183   2HG   MET  28          2HG       MET  28  -0.269   5.983   0.971
  184   1HE   MET  28          1HE       MET  28  -1.140   5.654  -2.931
  185   2HE   MET  28          2HE       MET  28   0.093   5.378  -1.674
  186   3HE   MET  28          3HE       MET  28  -1.239   4.215  -1.897
  187    H    LEU  29           H        LEU  29  -0.437   1.258   2.540
  188    HA   LEU  29           HA       LEU  29  -2.461  -0.496   1.546
  189   1HB   LEU  29          1HB       LEU  29  -0.279  -1.167   1.589
  190   2HB   LEU  29          2HB       LEU  29  -0.100  -0.985   3.358
  191    HG   LEU  29           HG       LEU  29  -1.745  -2.963   2.086
  192   1HD1  LEU  29          1HD1      LEU  29   1.203  -3.178   2.613
  193   2HD1  LEU  29          2HD1      LEU  29   0.168  -4.587   2.305
  194   3HD1  LEU  29          3HD1      LEU  29   0.339  -3.339   1.068
  195   1HD2  LEU  29          1HD2      LEU  29  -1.115  -4.300   4.224
  196   2HD2  LEU  29          2HD2      LEU  29  -0.561  -2.758   4.868
  197   3HD2  LEU  29          3HD2      LEU  29  -2.276  -2.995   4.409
  198    H    THR  30           H        THR  30  -1.456  -0.248   4.961
  199    HA   THR  30           HA       THR  30  -3.771  -1.449   5.997
  200    HB   THR  30           HB       THR  30  -1.756  -0.721   7.296
  201    HG1  THR  30           HG1      THR  30  -3.008  -0.447   9.233
  202   1HG2  THR  30          1HG2      THR  30  -1.727   1.370   8.400
  203   2HG2  THR  30          2HG2      THR  30  -1.856   1.601   6.648
  204   3HG2  THR  30          3HG2      THR  30  -3.293   1.839   7.683
  205    H    CYS  31           H        CYS  31  -3.440   2.124   5.289
  206    HA   CYS  31           HA       CYS  31  -5.850   2.879   6.043
  207   1HB   CYS  31          1HB       CYS  31  -4.551   4.650   5.165
  208   2HB   CYS  31          2HB       CYS  31  -4.049   3.700   3.793
  209    H    ALA  32           H        ALA  32  -5.089   1.935   2.659
  210    HA   ALA  32           HA       ALA  32  -7.535   1.648   1.482
  211   1HB   ALA  32          1HB       ALA  32  -5.154  -0.232   1.213
  212   2HB   ALA  32          2HB       ALA  32  -6.509  -0.086   0.087
  213   3HB   ALA  32          3HB       ALA  32  -5.398   1.292   0.339
  214    H    LYS  33           H        LYS  33  -5.848  -0.700   3.462
  215    HA   LYS  33           HA       LYS  33  -7.661  -2.890   3.206
  216   1HB   LYS  33          1HB       LYS  33  -5.317  -2.909   4.210
  217   2HB   LYS  33          2HB       LYS  33  -6.052  -2.338   5.712
  218   1HG   LYS  33          1HG       LYS  33  -7.563  -4.261   5.757
  219   2HG   LYS  33          2HG       LYS  33  -6.910  -4.829   4.206
  220   1HD   LYS  33          1HD       LYS  33  -4.831  -5.354   5.036
  221   2HD   LYS  33          2HD       LYS  33  -5.025  -4.443   6.464
  222   1HE   LYS  33          1HE       LYS  33  -6.869  -6.737   5.745
  223   2HE   LYS  33          2HE       LYS  33  -5.340  -7.035   6.563
  224   1HZ   LYS  33          1HZ       LYS  33  -7.588  -5.427   7.613
  225   2HZ   LYS  33          2HZ       LYS  33  -7.135  -6.918   8.138
  226   3HZ   LYS  33          3HZ       LYS  33  -6.144  -5.623   8.391
  227    H    HIS  34           H        HIS  34  -7.457  -0.584   5.910
  228    HA   HIS  34           HA       HIS  34 -10.006  -1.333   7.052
  229   1HB   HIS  34          1HB       HIS  34  -7.761   0.464   7.673
  230   2HB   HIS  34          2HB       HIS  34  -9.291   1.274   7.917
  231    HD1  HIS  34           HD1      HIS  34 -10.176   0.948  10.304
  232    HD2  HIS  34           HD2      HIS  34  -7.935  -2.297   8.839
  233    HE1  HIS  34           HE1      HIS  34 -10.099  -0.796  12.176
  234    H    GLU  35           H        GLU  35  -9.125   0.756   4.369
  235    HA   GLU  35           HA       GLU  35 -11.476   2.375   4.607
  236   1HB   GLU  35          1HB       GLU  35  -9.278   3.003   3.509
  237   2HB   GLU  35          2HB       GLU  35  -9.765   2.037   2.129
  238   1HG   GLU  35          1HG       GLU  35 -11.586   4.170   3.090
  239   2HG   GLU  35          2HG       GLU  35 -10.095   4.655   2.331
  240    H    GLY  36           H        GLY  36 -10.505  -0.054   2.158
  241   1HA   GLY  36          1HA       GLY  36 -13.212  -1.231   2.065
  242   2HA   GLY  36          2HA       GLY  36 -12.712  -0.282   0.657
  243    H    ASN  37           H        ASN  37 -10.256  -2.176   2.484
  244    HA   ASN  37           HA       ASN  37 -10.324  -4.191   0.262
  245   1HB   ASN  37          1HB       ASN  37  -8.461  -2.206   0.153
  246   2HB   ASN  37          2HB       ASN  37  -7.645  -3.223   1.247
  247   1HD2  ASN  37          1HD2      ASN  37  -6.349  -2.851  -1.058
  248   2HD2  ASN  37          2HD2      ASN  37  -6.499  -4.293  -2.043
  249    HA   PRO  38           HA       PRO  38 -10.089  -5.825   4.656
  250   1HB   PRO  38          1HB       PRO  38 -12.104  -7.715   4.540
  251   2HB   PRO  38          2HB       PRO  38 -12.362  -5.996   4.977
  252   1HG   PRO  38          1HG       PRO  38 -12.724  -7.301   2.261
  253   2HG   PRO  38          2HG       PRO  38 -13.854  -6.209   3.126
  254   1HD   PRO  38          1HD       PRO  38 -12.187  -5.265   1.204
  255   2HD   PRO  38          2HD       PRO  38 -12.499  -4.312   2.689
  256    H    ASP  39           H        ASP  39  -9.978  -7.212   1.491
  257    HA   ASP  39           HA       ASP  39  -8.882  -9.812   2.121
  258   1HB   ASP  39          1HB       ASP  39  -9.980  -8.402  -0.094
  259   2HB   ASP  39          2HB       ASP  39  -8.319  -8.706  -0.538
  260    H    LEU  40           H        LEU  40  -7.520  -6.579   1.934
  261    HA   LEU  40           HA       LEU  40  -4.875  -7.402   0.909
  262   1HB   LEU  40          1HB       LEU  40  -5.452  -5.196   0.281
  263   2HB   LEU  40          2HB       LEU  40  -6.274  -4.885   1.817
  264    HG   LEU  40           HG       LEU  40  -4.291  -4.620   2.987
  265   1HD1  LEU  40          1HD1      LEU  40  -2.230  -5.037   2.312
  266   2HD1  LEU  40          2HD1      LEU  40  -2.955  -5.970   1.003
  267   3HD1  LEU  40          3HD1      LEU  40  -2.480  -4.312   0.672
  268   1HD2  LEU  40          1HD2      LEU  40  -4.225  -2.885   0.473
  269   2HD2  LEU  40          2HD2      LEU  40  -5.396  -2.691   1.778
  270   3HD2  LEU  40          3HD2      LEU  40  -3.697  -2.450   2.098
  271    H    VAL  41           H        VAL  41  -3.036  -7.385   2.329
  272    HA   VAL  41           HA       VAL  41  -3.485  -7.272   5.182
  273    HB   VAL  41           HB       VAL  41  -2.558  -9.483   5.542
  274   1HG1  VAL  41          1HG1      VAL  41  -4.945  -9.842   3.690
  275   2HG1  VAL  41          2HG1      VAL  41  -4.422 -10.904   4.983
  276   3HG1  VAL  41          3HG1      VAL  41  -5.064  -9.305   5.394
  277   1HG2  VAL  41          1HG2      VAL  41  -2.822 -10.016   2.559
  278   2HG2  VAL  41          2HG2      VAL  41  -1.281  -9.793   3.450
  279   3HG2  VAL  41          3HG2      VAL  41  -2.317 -11.165   3.807
  280    H    GLN  42           H        GLN  42  -1.421  -6.871   6.215
  281    HA   GLN  42           HA       GLN  42   0.764  -5.966   4.495
  282   1HB   GLN  42          1HB       GLN  42   0.282  -4.813   6.637
  283   2HB   GLN  42          2HB       GLN  42   0.576  -6.310   7.517
  284   1HG   GLN  42          1HG       GLN  42   2.545  -4.939   7.705
  285   2HG   GLN  42          2HG       GLN  42   2.956  -6.312   6.696
  286   1HE2  GLN  42          1HE2      GLN  42   4.844  -4.912   6.007
  287   2HE2  GLN  42          2HE2      GLN  42   4.505  -3.763   4.730
  288    H    VAL  43           H        VAL  43   1.029  -7.940   3.297
  289    HA   VAL  43           HA       VAL  43   1.747 -10.396   4.387
  290    HB   VAL  43           HB       VAL  43   3.181 -10.546   2.169
  291   1HG1  VAL  43          1HG1      VAL  43   1.281 -11.310   1.011
  292   2HG1  VAL  43          2HG1      VAL  43   0.918 -11.606   2.704
  293   3HG1  VAL  43          3HG1      VAL  43   0.208 -10.187   1.900
  294   1HG2  VAL  43          1HG2      VAL  43   2.436  -9.071   0.376
  295   2HG2  VAL  43          2HG2      VAL  43   1.356  -8.188   1.467
  296   3HG2  VAL  43          3HG2      VAL  43   3.124  -8.071   1.656
  297    H    HIS  44           H        HIS  44   3.756  -7.593   3.536
  298    HA   HIS  44           HA       HIS  44   5.594  -7.508   5.567
  299   1HB   HIS  44          1HB       HIS  44   6.589  -9.530   5.249
  300   2HB   HIS  44          2HB       HIS  44   6.173  -9.624   3.542
  301    HD1  HIS  44           HD1      HIS  44   7.884  -8.607   1.795
  302    HD2  HIS  44           HD2      HIS  44   9.018  -8.318   5.833
  303    HE1  HIS  44           HE1      HIS  44  10.374  -8.143   1.810
  304    H    GLU  45           H        GLU  45   7.155  -5.878   5.101
  305    HA   GLU  45           HA       GLU  45   6.332  -3.876   3.222
  306   1HB   GLU  45          1HB       GLU  45   8.181  -2.617   4.163
  307   2HB   GLU  45          2HB       GLU  45   7.236  -3.337   5.439
  308   1HG   GLU  45          1HG       GLU  45   9.799  -4.647   4.405
  309   2HG   GLU  45          2HG       GLU  45   9.834  -3.351   5.584
  310    H    GLY  46           H        GLY  46   8.599  -2.768   2.181
  311   1HA   GLY  46          1HA       GLY  46  10.195  -2.905   0.547
  312   2HA   GLY  46          2HA       GLY  46  10.282  -4.661   0.791
  313    HA   PRO  47           HA       PRO  47   7.323  -3.478  -2.758
  314   1HB   PRO  47          1HB       PRO  47   8.683  -2.609  -4.908
  315   2HB   PRO  47          2HB       PRO  47   8.332  -1.541  -3.509
  316   1HG   PRO  47          1HG       PRO  47  10.922  -3.029  -4.059
  317   2HG   PRO  47          2HG       PRO  47  10.705  -1.292  -3.662
  318   1HD   PRO  47          1HD       PRO  47  11.267  -3.203  -1.754
  319   2HD   PRO  47          2HD       PRO  47  10.279  -1.756  -1.409
  320    H    CYS  48           H        CYS  48   6.632  -5.082  -4.194
  321    HA   CYS  48           HA       CYS  48   8.374  -7.455  -4.462
  322   1HB   CYS  48          1HB       CYS  48   5.495  -6.878  -5.199
  323   2HB   CYS  48          2HB       CYS  48   6.299  -8.326  -5.753
  324    H    ASP  49           H        ASP  49   6.802  -5.044  -6.677
  325    HA   ASP  49           HA       ASP  49   7.970  -6.056  -9.000
  326   1HB   ASP  49          1HB       ASP  49   5.974  -4.460  -8.695
  327   2HB   ASP  49          2HB       ASP  49   7.167  -3.168  -8.559
  328    H    GLU  50           H        GLU  50   9.607  -4.741 -10.265
  329    HA   GLU  50           HA       GLU  50  12.137  -4.813  -8.893
  330   1HB   GLU  50          1HB       GLU  50  11.263  -3.769 -11.614
  331   2HB   GLU  50          2HB       GLU  50  12.939  -3.691 -11.082
  332   1HG   GLU  50          1HG       GLU  50  11.497  -6.356 -10.987
  333   2HG   GLU  50          2HG       GLU  50  12.064  -5.727 -12.529
  334    H    HIS  51           H        HIS  51  10.539  -1.980 -10.448
  335    HA   HIS  51           HA       HIS  51  10.871  -0.279  -8.178
  336   1HB   HIS  51          1HB       HIS  51  12.565   1.317  -9.295
  337   2HB   HIS  51          2HB       HIS  51  13.122  -0.103  -8.462
  338    HD1  HIS  51           HD1      HIS  51  15.276  -0.644  -9.691
  339    HD2  HIS  51           HD2      HIS  51  11.989   0.018 -12.245
  340    HE1  HIS  51           HE1      HIS  51  16.062  -1.202 -12.060
  341    H    ASP  52           H        ASP  52   8.617  -0.876 -10.031
  342    HA   ASP  52           HA       ASP  52   7.721   1.625 -10.875
  343   1HB   ASP  52          1HB       ASP  52   9.219  -0.158 -12.800
  344   2HB   ASP  52          2HB       ASP  52   7.755   0.585 -13.392
  345    H    HIS  53           H        HIS  53   5.843   0.489 -12.885
  346    HA   HIS  53           HA       HIS  53   4.497  -1.659 -11.432
  347   1HB   HIS  53          1HB       HIS  53   4.007   0.421 -10.080
  348   2HB   HIS  53          2HB       HIS  53   3.240   1.122 -11.502
  349    HD1  HIS  53           HD1      HIS  53   2.865  -2.238  -9.555
  350    HD2  HIS  53           HD2      HIS  53   0.664   0.735 -11.553
  351    HE1  HIS  53           HE1      HIS  53   0.392  -2.861  -9.306
  352    H    ASP  54           H        ASP  54   5.483  -1.763 -13.984
  353    HA   ASP  54           HA       ASP  54   3.272  -1.894 -15.804
  354   1HB   ASP  54          1HB       ASP  54   4.224  -0.115 -17.327
  355   2HB   ASP  54          2HB       ASP  54   3.381   0.468 -15.911
  356    H    PHE  55           H        PHE  55   4.095  -2.558 -17.963
  357    HA   PHE  55           HA       PHE  55   6.300  -4.486 -17.674
  358   1HB   PHE  55          2HB       PHE  55   4.050  -4.017 -19.666
  359   2HB   PHE  55          1HB       PHE  55   5.449  -4.949 -20.136
  360    HD1  PHE  55           HD1      PHE  55   6.191  -6.820 -18.311
  361    HD2  PHE  55           HD2      PHE  55   2.201  -5.344 -18.998
  362    HE1  PHE  55           HE1      PHE  55   5.254  -8.970 -17.489
  363    HE2  PHE  55           HE2      PHE  55   1.265  -7.496 -18.185
  364    HZ   PHE  55           HZ       PHE  55   2.790  -9.314 -17.438
  Start of MODEL    2
    1   1H    PHE   1          1H        PHE   1 -14.554   6.495   5.871
    2   2H    PHE   1          2H        PHE   1 -15.482   5.783   4.710
    3   3H    PHE   1          3H        PHE   1 -15.004   4.908   6.025
    4    HA   PHE   1           HA       PHE   1 -12.712   5.016   5.304
    5   1HB   PHE   1          2HB       PHE   1 -13.162   3.909   2.974
    6   2HB   PHE   1          1HB       PHE   1 -13.492   3.101   4.497
    7    HD1  PHE   1           HD1      PHE   1 -14.995   4.627   1.477
    8    HD2  PHE   1           HD2      PHE   1 -15.777   2.557   5.188
    9    HE1  PHE   1           HE1      PHE   1 -17.334   4.215   0.767
   10    HE2  PHE   1           HE2      PHE   1 -18.111   2.159   4.469
   11    HZ   PHE   1           HZ       PHE   1 -18.894   2.978   2.258
   12    H    GLN   2           H        GLN   2 -11.537   6.795   4.889
   13    HA   GLN   2           HA       GLN   2 -10.892   7.090   2.367
   14   1HB   GLN   2          1HB       GLN   2 -13.063   8.858   2.575
   15   2HB   GLN   2          2HB       GLN   2 -11.702   9.922   2.744
   16   1HG   GLN   2          1HG       GLN   2 -12.124   7.954   0.464
   17   2HG   GLN   2          2HG       GLN   2 -12.280   9.716   0.409
   18   1HE2  GLN   2          1HE2      GLN   2 -10.118   7.012   0.185
   19   2HE2  GLN   2          2HE2      GLN   2  -8.603   7.932   0.124
   20    H    GLY   3           H        GLY   3 -10.820  10.047   4.319
   21   1HA   GLY   3          1HA       GLY   3  -7.933   9.937   4.579
   22   2HA   GLY   3          2HA       GLY   3  -8.998  11.195   5.206
   23    H    ASN   4           H        ASN   4 -10.553   8.833   6.577
   24    HA   ASN   4           HA       ASN   4  -9.135   8.914   9.043
   25   1HB   ASN   4          1HB       ASN   4 -11.714   8.336   8.506
   26   2HB   ASN   4          2HB       ASN   4 -11.120   6.691   8.766
   27   1HD2  ASN   4          1HD2      ASN   4  -9.010   7.433  10.729
   28   2HD2  ASN   4          2HD2      ASN   4  -9.916   7.878  12.175
   29    HA   PRO   5           HA       PRO   5  -7.062   4.798   7.848
   30   1HB   PRO   5          1HB       PRO   5  -7.292   4.244   5.088
   31   2HB   PRO   5          2HB       PRO   5  -8.016   3.323   6.434
   32   1HG   PRO   5          1HG       PRO   5  -9.163   5.252   4.527
   33   2HG   PRO   5          2HG       PRO   5  -9.958   3.902   5.375
   34   1HD   PRO   5          1HD       PRO   5 -10.272   6.567   6.108
   35   2HD   PRO   5          2HD       PRO   5 -10.406   5.200   7.250
   36    H    CYS   6           H        CYS   6  -7.320   7.180   5.043
   37    HA   CYS   6           HA       CYS   6  -4.383   7.165   4.930
   38   1HB   CYS   6          1HB       CYS   6  -6.574   8.097   3.130
   39   2HB   CYS   6          2HB       CYS   6  -5.006   8.863   2.988
   40    H    GLU   7           H        GLU   7  -4.392   8.141   7.229
   41    HA   GLU   7           HA       GLU   7  -4.405  11.091   7.178
   42   1HB   GLU   7          1HB       GLU   7  -3.592  10.956   9.436
   43   2HB   GLU   7          2HB       GLU   7  -4.928   9.823   9.236
   44   1HG   GLU   7          1HG       GLU   7  -3.339   7.930   9.103
   45   2HG   GLU   7          2HG       GLU   7  -1.970   9.041   9.170
   46    H    CYS   8           H        CYS   8  -2.293   8.689   6.142
   47    HA   CYS   8           HA       CYS   8   0.113   9.645   7.239
   48   1HB   CYS   8          1HB       CYS   8  -0.827   7.411   5.535
   49   2HB   CYS   8          2HB       CYS   8   0.876   7.778   5.351
   50    HA   PRO   9           HA       PRO   9   2.065  12.217   4.361
   51   1HB   PRO   9          1HB       PRO   9   4.716  11.735   4.646
   52   2HB   PRO   9          2HB       PRO   9   3.723  12.297   6.026
   53   1HG   PRO   9          1HG       PRO   9   4.535   9.448   5.359
   54   2HG   PRO   9          2HG       PRO   9   4.673  10.293   6.932
   55   1HD   PRO   9          1HD       PRO   9   2.589   8.654   6.241
   56   2HD   PRO   9          2HD       PRO   9   2.392  10.003   7.369
   57    H    ARG  10           H        ARG  10   3.453  12.345   2.403
   58    HA   ARG  10           HA       ARG  10   3.067  10.016   0.619
   59   1HB   ARG  10          1HB       ARG  10   3.882  12.931   0.220
   60   2HB   ARG  10          2HB       ARG  10   3.987  11.737  -1.061
   61   1HG   ARG  10          1HG       ARG  10   2.011  12.965  -1.360
   62   2HG   ARG  10          2HG       ARG  10   1.603  11.303  -1.000
   63   1HD   ARG  10          1HD       ARG  10   1.540  13.445   1.165
   64   2HD   ARG  10          2HD       ARG  10   0.231  13.335   0.000
   65    HE   ARG  10           HE       ARG  10   0.512  11.753   2.318
   66   1HH1  ARG  10          2HH2      ARG  10  -0.520  11.330  -1.040
   67   2HH1  ARG  10          1HH2      ARG  10  -1.580  10.006  -0.676
   68   1HH2  ARG  10          2HH1      ARG  10  -0.876  10.142   2.811
   69   2HH2  ARG  10          1HH1      ARG  10  -1.778   9.281   1.583
   70    H    ALA  11           H        ALA  11   4.808   9.442   2.686
   71    HA   ALA  11           HA       ALA  11   7.502   9.712   1.994
   72   1HB   ALA  11          1HB       ALA  11   7.807   7.974   3.755
   73   2HB   ALA  11          2HB       ALA  11   6.800   9.323   4.306
   74   3HB   ALA  11          3HB       ALA  11   6.042   7.778   3.843
   75    H    LEU  12           H        LEU  12   8.542   8.670   0.383
   76    HA   LEU  12           HA       LEU  12   7.375   6.587  -1.210
   77   1HB   LEU  12          1HB       LEU  12   9.960   8.180  -1.054
   78   2HB   LEU  12          2HB       LEU  12   9.874   6.818  -2.130
   79    HG   LEU  12           HG       LEU  12   9.475   9.004  -3.158
   80   1HD1  LEU  12          1HD1      LEU  12   7.732   8.200  -4.692
   81   2HD1  LEU  12          2HD1      LEU  12   8.795   6.866  -4.238
   82   3HD1  LEU  12          3HD1      LEU  12   7.185   7.010  -3.496
   83   1HD2  LEU  12          1HD2      LEU  12   6.724   8.962  -1.892
   84   2HD2  LEU  12          2HD2      LEU  12   8.044  10.095  -1.508
   85   3HD2  LEU  12          3HD2      LEU  12   7.319  10.092  -3.119
   86    H    HIS  13           H        HIS  13   7.406   5.540   1.327
   87    HA   HIS  13           HA       HIS  13   9.790   3.743   1.569
   88   1HB   HIS  13          1HB       HIS  13   7.484   4.229   3.487
   89   2HB   HIS  13          2HB       HIS  13   8.877   3.184   3.772
   90    HD1  HIS  13           HD1      HIS  13   8.333   5.536   5.760
   91    HD2  HIS  13           HD2      HIS  13  10.856   5.708   2.390
   92    HE1  HIS  13           HE1      HIS  13   9.998   7.438   6.172
   93    H    ARG  14           H        ARG  14   8.605   3.158  -0.628
   94    HA   ARG  14           HA       ARG  14   6.291   1.803  -0.895
   95   1HB   ARG  14          1HB       ARG  14   8.896   1.135  -2.303
   96   2HB   ARG  14          2HB       ARG  14   7.315   0.639  -2.870
   97   1HG   ARG  14          1HG       ARG  14   6.819   2.628  -3.793
   98   2HG   ARG  14          2HG       ARG  14   7.448   3.572  -2.451
   99   1HD   ARG  14          1HD       ARG  14   9.224   2.191  -4.513
  100   2HD   ARG  14          2HD       ARG  14   8.717   3.897  -4.591
  101    HE   ARG  14           HE       ARG  14   9.757   3.301  -2.015
  102   1HH1  ARG  14          2HH2      ARG  14  11.082   3.525  -5.285
  103   2HH1  ARG  14          1HH2      ARG  14  12.509   4.390  -4.831
  104   1HH2  ARG  14          2HH1      ARG  14  11.386   4.738  -1.456
  105   2HH2  ARG  14          1HH1      ARG  14  12.781   4.994  -2.488
  106    H    VAL  15           H        VAL  15   5.501  -0.296  -0.969
  107    HA   VAL  15           HA       VAL  15   7.092  -2.458   0.297
  108    HB   VAL  15           HB       VAL  15   5.198  -2.832   1.883
  109   1HG1  VAL  15          1HG1      VAL  15   5.881  -1.205   3.459
  110   2HG1  VAL  15          2HG1      VAL  15   7.300  -1.581   2.443
  111   3HG1  VAL  15          3HG1      VAL  15   6.399  -0.097   2.176
  112   1HG2  VAL  15          1HG2      VAL  15   4.258  -0.037   1.047
  113   2HG2  VAL  15          2HG2      VAL  15   3.404  -1.557   0.696
  114   3HG2  VAL  15          3HG2      VAL  15   3.642  -1.081   2.350
  115    H    CYS  16           H        CYS  16   6.217  -4.549   0.001
  116    HA   CYS  16           HA       CYS  16   4.361  -4.827  -2.262
  117   1HB   CYS  16          1HB       CYS  16   6.404  -6.112  -2.034
  118   2HB   CYS  16          2HB       CYS  16   5.944  -6.754  -0.521
  119    H    GLY  17           H        GLY  17   2.168  -5.274  -2.089
  120   1HA   GLY  17          1HA       GLY  17   1.088  -6.333   0.468
  121   2HA   GLY  17          2HA       GLY  17   0.145  -5.707  -0.883
  122    H    SER  18           H        SER  18  -0.207  -8.216   0.248
  123    HA   SER  18           HA       SER  18   1.003 -10.375  -0.580
  124   1HB   SER  18          1HB       SER  18  -1.027 -11.603  -0.026
  125   2HB   SER  18          2HB       SER  18  -0.923 -10.174   0.964
  126    HG   SER  18           HG       SER  18  -2.664 -10.515  -1.202
  127    H    ASP  19           H        ASP  19  -0.928  -8.670  -2.858
  128    HA   ASP  19           HA       ASP  19  -1.096 -10.826  -4.816
  129   1HB   ASP  19          1HB       ASP  19  -1.937  -8.009  -4.549
  130   2HB   ASP  19          2HB       ASP  19  -1.395  -8.350  -6.170
  131    H    GLY  20           H        GLY  20   1.662  -9.308  -3.647
  132   1HA   GLY  20          1HA       GLY  20   3.795  -9.050  -4.585
  133   2HA   GLY  20          2HA       GLY  20   3.151  -9.340  -6.206
  134    H    ASN  21           H        ASN  21   0.908  -7.495  -4.957
  135    HA   ASN  21           HA       ASN  21   1.258  -5.288  -6.593
  136   1HB   ASN  21          1HB       ASN  21  -0.873  -6.253  -6.131
  137   2HB   ASN  21          2HB       ASN  21  -0.641  -6.117  -4.371
  138   1HD2  ASN  21          1HD2      ASN  21  -0.474  -3.644  -7.123
  139   2HD2  ASN  21          2HD2      ASN  21  -1.830  -2.788  -6.410
  140    H    THR  22           H        THR  22   3.033  -3.986  -6.095
  141    HA   THR  22           HA       THR  22   3.702  -3.255  -3.500
  142    HB   THR  22           HB       THR  22   4.526  -1.973  -6.111
  143    HG1  THR  22           HG1      THR  22   5.244  -4.017  -6.150
  144   1HG2  THR  22          1HG2      THR  22   6.553  -1.282  -4.868
  145   2HG2  THR  22          2HG2      THR  22   5.119  -0.503  -4.171
  146   3HG2  THR  22          3HG2      THR  22   5.867  -1.900  -3.365
  147    H    TYR  23           H        TYR  23   3.408  -1.297  -2.282
  148    HA   TYR  23           HA       TYR  23   1.484   0.748  -3.300
  149   1HB   TYR  23          1HB       TYR  23   1.643  -0.614  -0.586
  150   2HB   TYR  23          2HB       TYR  23   1.057   1.020  -0.724
  151    HD1  TYR  23           HD1      TYR  23   0.321  -2.504  -1.747
  152    HD2  TYR  23           HD2      TYR  23  -1.159   1.541  -1.412
  153    HE1  TYR  23           HE1      TYR  23  -1.991  -3.314  -2.096
  154    HE2  TYR  23           HE2      TYR  23  -3.451   0.743  -1.804
  155    HH   TYR  23           HH       TYR  23  -4.668  -1.101  -2.702
  156    H    SER  24           H        SER  24   2.080   2.923  -2.624
  157    HA   SER  24           HA       SER  24   4.787   3.422  -2.616
  158   1HB   SER  24          1HB       SER  24   2.685   5.346  -1.627
  159   2HB   SER  24          2HB       SER  24   4.164   5.708  -2.532
  160    HG   SER  24           HG       SER  24   3.251   4.763  -4.349
  161    H    ASN  25           H        ASN  25   2.788   2.798   0.240
  162    HA   ASN  25           HA       ASN  25   5.047   2.486   1.815
  163   1HB   ASN  25          1HB       ASN  25   4.367   4.128   3.691
  164   2HB   ASN  25          2HB       ASN  25   5.206   4.791   2.316
  165   1HD2  ASN  25          1HD2      ASN  25   4.353   6.666   1.599
  166   2HD2  ASN  25          2HD2      ASN  25   2.759   7.273   2.071
  167    HA   PRO  26           HA       PRO  26   2.272  -0.358   3.592
  168   1HB   PRO  26          1HB       PRO  26   2.860  -0.564   6.227
  169   2HB   PRO  26          2HB       PRO  26   3.881  -1.189   4.898
  170   1HG   PRO  26          1HG       PRO  26   4.204   1.368   6.441
  171   2HG   PRO  26          2HG       PRO  26   5.461   0.177   5.957
  172   1HD   PRO  26          1HD       PRO  26   5.020   2.479   4.614
  173   2HD   PRO  26          2HD       PRO  26   5.529   1.012   3.777
  174    H    CYS  27           H        CYS  27   2.315   2.889   4.873
  175    HA   CYS  27           HA       CYS  27  -0.128   2.705   6.377
  176   1HB   CYS  27          1HB       CYS  27   1.785   4.547   6.428
  177   2HB   CYS  27          2HB       CYS  27   0.841   5.265   5.132
  178    H    MET  28           H        MET  28   0.656   3.849   3.014
  179    HA   MET  28           HA       MET  28  -2.060   4.348   2.300
  180   1HB   MET  28          1HB       MET  28   0.358   3.682   0.591
  181   2HB   MET  28          2HB       MET  28  -1.236   4.054  -0.069
  182   1HG   MET  28          1HG       MET  28  -0.653   6.065   1.894
  183   2HG   MET  28          2HG       MET  28   0.789   5.879   0.913
  184   1HE   MET  28          1HE       MET  28   0.071   5.368  -1.934
  185   2HE   MET  28          2HE       MET  28  -0.314   6.955  -2.633
  186   3HE   MET  28          3HE       MET  28   1.062   6.791  -1.526
  187    H    LEU  29           H        LEU  29  -0.175   1.332   2.138
  188    HA   LEU  29           HA       LEU  29  -2.205  -0.386   1.070
  189   1HB   LEU  29          1HB       LEU  29  -0.114  -1.196   1.201
  190   2HB   LEU  29          2HB       LEU  29   0.132  -0.799   2.917
  191    HG   LEU  29           HG       LEU  29  -1.281  -3.045   1.722
  192   1HD1  LEU  29          1HD1      LEU  29   0.579  -4.420   2.512
  193   2HD1  LEU  29          2HD1      LEU  29   1.141  -3.133   1.445
  194   3HD1  LEU  29          3HD1      LEU  29   1.343  -2.969   3.202
  195   1HD2  LEU  29          1HD2      LEU  29  -2.358  -2.817   3.893
  196   2HD2  LEU  29          2HD2      LEU  29  -1.161  -4.085   4.082
  197   3HD2  LEU  29          3HD2      LEU  29  -0.787  -2.464   4.676
  198    H    THR  30           H        THR  30  -1.325  -0.077   4.502
  199    HA   THR  30           HA       THR  30  -3.653  -1.403   5.358
  200    HB   THR  30           HB       THR  30  -1.475  -0.536   6.623
  201    HG1  THR  30           HG1      THR  30  -2.350  -1.478   8.377
  202   1HG2  THR  30          1HG2      THR  30  -3.660   1.220   7.759
  203   2HG2  THR  30          2HG2      THR  30  -1.993   1.038   8.363
  204   3HG2  THR  30          3HG2      THR  30  -2.288   1.777   6.777
  205    H    CYS  31           H        CYS  31  -3.278   2.102   4.766
  206    HA   CYS  31           HA       CYS  31  -5.702   2.959   5.586
  207   1HB   CYS  31          1HB       CYS  31  -4.333   4.705   4.798
  208   2HB   CYS  31          2HB       CYS  31  -3.859   3.800   3.367
  209    H    ALA  32           H        ALA  32  -4.854   2.007   2.235
  210    HA   ALA  32           HA       ALA  32  -7.302   1.742   0.996
  211   1HB   ALA  32          1HB       ALA  32  -5.142   1.437  -0.081
  212   2HB   ALA  32          2HB       ALA  32  -4.937  -0.127   0.740
  213   3HB   ALA  32          3HB       ALA  32  -6.265   0.074  -0.404
  214    H    LYS  33           H        LYS  33  -5.669  -0.630   2.970
  215    HA   LYS  33           HA       LYS  33  -7.436  -2.819   2.732
  216   1HB   LYS  33          1HB       LYS  33  -5.137  -2.801   3.813
  217   2HB   LYS  33          2HB       LYS  33  -5.914  -2.167   5.268
  218   1HG   LYS  33          1HG       LYS  33  -7.410  -4.076   5.368
  219   2HG   LYS  33          2HG       LYS  33  -6.728  -4.720   3.865
  220   1HD   LYS  33          1HD       LYS  33  -4.667  -5.206   4.755
  221   2HD   LYS  33          2HD       LYS  33  -4.887  -4.235   6.146
  222   1HE   LYS  33          1HE       LYS  33  -6.661  -6.599   5.432
  223   2HE   LYS  33          2HE       LYS  33  -5.217  -6.788   6.426
  224   1HZ   LYS  33          1HZ       LYS  33  -7.253  -6.615   7.731
  225   2HZ   LYS  33          2HZ       LYS  33  -6.269  -5.331   8.070
  226   3HZ   LYS  33          3HZ       LYS  33  -7.585  -5.141   7.090
  227    H    HIS  34           H        HIS  34  -7.390  -0.418   5.382
  228    HA   HIS  34           HA       HIS  34 -10.022  -1.177   6.345
  229   1HB   HIS  34          1HB       HIS  34  -7.971   0.944   6.942
  230   2HB   HIS  34          2HB       HIS  34  -9.628   1.286   7.381
  231    HD1  HIS  34           HD1      HIS  34  -6.685  -0.453   8.764
  232    HD2  HIS  34           HD2      HIS  34 -10.881  -0.817   8.903
  233    HE1  HIS  34           HE1      HIS  34  -7.246  -1.893  10.822
  234    H    GLU  35           H        GLU  35  -8.922   0.939   3.795
  235    HA   GLU  35           HA       GLU  35 -11.346   2.574   3.902
  236   1HB   GLU  35          1HB       GLU  35  -8.984   3.145   3.000
  237   2HB   GLU  35          2HB       GLU  35  -9.546   2.495   1.475
  238   1HG   GLU  35          1HG       GLU  35 -11.078   4.655   2.982
  239   2HG   GLU  35          2HG       GLU  35  -9.605   5.061   2.163
  240    H    GLY  36           H        GLY  36 -10.257  -0.064   1.736
  241   1HA   GLY  36          1HA       GLY  36 -12.960  -1.112   1.475
  242   2HA   GLY  36          2HA       GLY  36 -12.434  -0.231   0.042
  243    H    ASN  37           H        ASN  37 -10.057  -2.150   1.962
  244    HA   ASN  37           HA       ASN  37 -10.132  -4.281  -0.152
  245   1HB   ASN  37          1HB       ASN  37  -8.239  -2.347  -0.408
  246   2HB   ASN  37          2HB       ASN  37  -7.454  -3.245   0.798
  247   1HD2  ASN  37          1HD2      ASN  37  -6.261  -3.030  -1.706
  248   2HD2  ASN  37          2HD2      ASN  37  -6.335  -4.625  -2.415
  249    HA   PRO  38           HA       PRO  38  -9.943  -5.629   4.345
  250   1HB   PRO  38          1HB       PRO  38 -11.904  -7.566   4.323
  251   2HB   PRO  38          2HB       PRO  38 -12.222  -5.827   4.608
  252   1HG   PRO  38          1HG       PRO  38 -12.445  -7.354   1.993
  253   2HG   PRO  38          2HG       PRO  38 -13.654  -6.254   2.735
  254   1HD   PRO  38          1HD       PRO  38 -11.959  -5.382   0.801
  255   2HD   PRO  38          2HD       PRO  38 -12.355  -4.333   2.199
  256    H    ASP  39           H        ASP  39  -9.835  -7.212   1.285
  257    HA   ASP  39           HA       ASP  39  -8.682  -9.745   2.021
  258   1HB   ASP  39          1HB       ASP  39  -9.744  -8.301  -0.313
  259   2HB   ASP  39          2HB       ASP  39  -8.221  -9.061  -0.714
  260    H    LEU  40           H        LEU  40  -7.317  -6.520   1.658
  261    HA   LEU  40           HA       LEU  40  -4.680  -7.395   0.686
  262   1HB   LEU  40          1HB       LEU  40  -5.252  -5.217  -0.002
  263   2HB   LEU  40          2HB       LEU  40  -6.065  -4.851   1.523
  264    HG   LEU  40           HG       LEU  40  -4.111  -4.531   2.670
  265   1HD1  LEU  40          1HD1      LEU  40  -2.026  -4.991   2.077
  266   2HD1  LEU  40          2HD1      LEU  40  -2.728  -5.990   0.797
  267   3HD1  LEU  40          3HD1      LEU  40  -2.235  -4.355   0.397
  268   1HD2  LEU  40          1HD2      LEU  40  -5.069  -2.590   1.468
  269   2HD2  LEU  40          2HD2      LEU  40  -3.309  -2.436   1.515
  270   3HD2  LEU  40          3HD2      LEU  40  -4.112  -2.980   0.045
  271    H    VAL  41           H        VAL  41  -2.847  -7.382   2.104
  272    HA   VAL  41           HA       VAL  41  -3.309  -7.187   4.973
  273    HB   VAL  41           HB       VAL  41  -2.233  -9.399   5.284
  274   1HG1  VAL  41          1HG1      VAL  41  -4.791  -9.726   3.677
  275   2HG1  VAL  41          2HG1      VAL  41  -4.157 -10.782   4.939
  276   3HG1  VAL  41          3HG1      VAL  41  -4.735  -9.158   5.367
  277   1HG2  VAL  41          1HG2      VAL  41  -2.171 -11.047   3.472
  278   2HG2  VAL  41          2HG2      VAL  41  -2.762  -9.848   2.315
  279   3HG2  VAL  41          3HG2      VAL  41  -1.162  -9.657   3.083
  280    H    GLN  42           H        GLN  42  -1.336  -6.776   6.085
  281    HA   GLN  42           HA       GLN  42   0.969  -5.917   4.545
  282   1HB   GLN  42          1HB       GLN  42   0.199  -4.951   6.799
  283   2HB   GLN  42          2HB       GLN  42   0.768  -6.434   7.543
  284   1HG   GLN  42          1HG       GLN  42   2.608  -4.986   7.761
  285   2HG   GLN  42          2HG       GLN  42   3.060  -5.940   6.354
  286   1HE2  GLN  42          1HE2      GLN  42   3.921  -4.571   4.600
  287   2HE2  GLN  42          2HE2      GLN  42   3.329  -2.944   4.433
  288    H    VAL  43           H        VAL  43   1.309  -7.909   3.312
  289    HA   VAL  43           HA       VAL  43   2.094 -10.337   4.427
  290    HB   VAL  43           HB       VAL  43   3.663 -10.409   2.329
  291   1HG1  VAL  43          1HG1      VAL  43   1.851 -11.220   1.023
  292   2HG1  VAL  43          2HG1      VAL  43   1.669 -11.743   2.684
  293   3HG1  VAL  43          3HG1      VAL  43   0.678 -10.392   2.110
  294   1HG2  VAL  43          1HG2      VAL  43   3.350  -7.928   1.802
  295   2HG2  VAL  43          2HG2      VAL  43   2.890  -9.003   0.483
  296   3HG2  VAL  43          3HG2      VAL  43   1.640  -8.259   1.509
  297    H    HIS  44           H        HIS  44   4.011  -7.395   3.607
  298    HA   HIS  44           HA       HIS  44   5.758  -7.563   5.804
  299   1HB   HIS  44          1HB       HIS  44   7.833  -8.116   4.728
  300   2HB   HIS  44          2HB       HIS  44   6.750  -9.462   4.638
  301    HD1  HIS  44           HD1      HIS  44   9.194  -7.901   2.552
  302    HD2  HIS  44           HD2      HIS  44   5.273  -9.201   1.940
  303    HE1  HIS  44           HE1      HIS  44   9.015  -8.580   0.087
  304    H    GLU  45           H        GLU  45   7.777  -6.042   5.139
  305    HA   GLU  45           HA       GLU  45   6.859  -3.539   3.877
  306   1HB   GLU  45          1HB       GLU  45   8.029  -3.940   6.333
  307   2HB   GLU  45          2HB       GLU  45   9.482  -3.791   5.381
  308   1HG   GLU  45          1HG       GLU  45   7.304  -1.686   5.155
  309   2HG   GLU  45          2HG       GLU  45   8.262  -1.766   6.611
  310    H    GLY  46           H        GLY  46   9.021  -2.576   2.695
  311   1HA   GLY  46          1HA       GLY  46  10.468  -2.664   1.022
  312   2HA   GLY  46          2HA       GLY  46  10.704  -4.406   1.247
  313    HA   PRO  47           HA       PRO  47   7.498  -3.397  -2.219
  314   1HB   PRO  47          1HB       PRO  47   8.779  -2.403  -4.380
  315   2HB   PRO  47          2HB       PRO  47   8.299  -1.378  -2.996
  316   1HG   PRO  47          1HG       PRO  47  11.031  -2.566  -3.548
  317   2HG   PRO  47          2HG       PRO  47  10.623  -0.877  -3.105
  318   1HD   PRO  47          1HD       PRO  47  11.412  -2.774  -1.273
  319   2HD   PRO  47          2HD       PRO  47  10.307  -1.441  -0.864
  320    H    CYS  48           H        CYS  48   6.920  -5.016  -3.619
  321    HA   CYS  48           HA       CYS  48   8.867  -7.186  -4.191
  322   1HB   CYS  48          1HB       CYS  48   5.903  -6.799  -4.677
  323   2HB   CYS  48          2HB       CYS  48   6.773  -8.074  -5.491
  324    H    ASP  49           H        ASP  49   6.403  -5.614  -6.283
  325    HA   ASP  49           HA       ASP  49   8.072  -4.736  -8.327
  326   1HB   ASP  49          1HB       ASP  49   8.385  -7.206  -8.580
  327   2HB   ASP  49          2HB       ASP  49   6.640  -7.425  -8.544
  328    H    GLU  50           H        GLU  50   6.510  -4.302 -10.217
  329    HA   GLU  50           HA       GLU  50   4.252  -4.828 -10.842
  330   1HB   GLU  50          1HB       GLU  50   3.032  -4.581  -8.800
  331   2HB   GLU  50          2HB       GLU  50   3.352  -2.835  -8.747
  332   1HG   GLU  50          1HG       GLU  50   2.080  -2.592 -10.879
  333   2HG   GLU  50          2HG       GLU  50   1.864  -4.336 -10.949
  334    H    HIS  51           H        HIS  51   4.895  -1.512  -9.856
  335    HA   HIS  51           HA       HIS  51   5.507  -0.709 -12.601
  336   1HB   HIS  51          1HB       HIS  51   3.879   1.016 -12.724
  337   2HB   HIS  51          2HB       HIS  51   3.049  -0.504 -12.456
  338    HD1  HIS  51           HD1      HIS  51   3.110   2.957 -11.253
  339    HD2  HIS  51           HD2      HIS  51   2.234  -0.820  -9.620
  340    HE1  HIS  51           HE1      HIS  51   1.709   3.359  -9.142
  341    H    ASP  52           H        ASP  52   7.647  -0.503 -11.716
  342    HA   ASP  52           HA       ASP  52   8.293   1.044  -9.496
  343   1HB   ASP  52          1HB       ASP  52  10.544   1.254 -10.604
  344   2HB   ASP  52          2HB       ASP  52   9.957  -0.379 -10.318
  345    H    HIS  53           H        HIS  53   9.084   3.161  -9.302
  346    HA   HIS  53           HA       HIS  53   8.876   5.137 -11.379
  347   1HB   HIS  53          1HB       HIS  53   7.037   6.430 -10.281
  348   2HB   HIS  53          2HB       HIS  53   6.524   4.948 -11.057
  349    HD1  HIS  53           HD1      HIS  53   5.719   2.894  -9.383
  350    HD2  HIS  53           HD2      HIS  53   6.528   6.663  -7.658
  351    HE1  HIS  53           HE1      HIS  53   4.623   2.895  -7.101
  352    H    ASP  54           H        ASP  54  11.165   4.605 -10.131
  353    HA   ASP  54           HA       ASP  54  11.475   6.326  -7.801
  354   1HB   ASP  54          1HB       ASP  54  13.803   5.542  -7.863
  355   2HB   ASP  54          2HB       ASP  54  12.640   4.241  -7.700
  356    H    PHE  55           H        PHE  55  13.667   7.708  -8.122
  357    HA   PHE  55           HA       PHE  55  13.470   9.327 -10.588
  358   1HB   PHE  55          2HB       PHE  55  14.564  10.049  -7.833
  359   2HB   PHE  55          1HB       PHE  55  14.762  11.018  -9.279
  360    HD1  PHE  55           HD1      PHE  55  12.506  10.148  -6.554
  361    HD2  PHE  55           HD2      PHE  55  12.772  12.085 -10.391
  362    HE1  PHE  55           HE1      PHE  55  10.391  11.365  -6.086
  363    HE2  PHE  55           HE2      PHE  55  10.660  13.306  -9.922
  364    HZ   PHE  55           HZ       PHE  55   9.467  12.949  -7.768
  Start of MODEL    3
    1   1H    PHE   1          1H        PHE   1 -15.620   5.882   4.384
    2   2H    PHE   1          2H        PHE   1 -15.184   4.887   5.630
    3   3H    PHE   1          3H        PHE   1 -14.730   6.484   5.630
    4    HA   PHE   1           HA       PHE   1 -12.845   5.123   4.978
    5   1HB   PHE   1          2HB       PHE   1 -13.156   3.968   2.726
    6   2HB   PHE   1          1HB       PHE   1 -13.718   3.204   4.188
    7    HD1  PHE   1           HD1      PHE   1 -16.002   2.537   4.454
    8    HD2  PHE   1           HD2      PHE   1 -14.847   5.043   1.130
    9    HE1  PHE   1           HE1      PHE   1 -18.240   2.239   3.448
   10    HE2  PHE   1           HE2      PHE   1 -17.094   4.735   0.132
   11    HZ   PHE   1           HZ       PHE   1 -18.796   3.336   1.288
   12    H    GLN   2           H        GLN   2 -11.592   6.717   4.449
   13    HA   GLN   2           HA       GLN   2 -10.861   6.809   2.082
   14   1HB   GLN   2          1HB       GLN   2 -12.689   8.299   1.275
   15   2HB   GLN   2          2HB       GLN   2 -12.038   9.608   2.274
   16   1HG   GLN   2          1HG       GLN   2  -9.835   9.288   1.033
   17   2HG   GLN   2          2HG       GLN   2 -10.619   8.032   0.066
   18   1HE2  GLN   2          1HE2      GLN   2 -11.886   8.680  -1.724
   19   2HE2  GLN   2          2HE2      GLN   2 -12.158  10.380  -2.101
   20    H    GLY   3           H        GLY   3 -10.794   9.955   3.677
   21   1HA   GLY   3          1HA       GLY   3  -7.956   9.844   4.106
   22   2HA   GLY   3          2HA       GLY   3  -9.052  11.137   4.595
   23    H    ASN   4           H        ASN   4 -10.602   8.834   6.149
   24    HA   ASN   4           HA       ASN   4  -9.172   9.188   8.632
   25   1HB   ASN   4          1HB       ASN   4 -11.789   8.578   8.107
   26   2HB   ASN   4          2HB       ASN   4 -11.181   6.986   8.550
   27   1HD2  ASN   4          1HD2      ASN   4 -10.376  10.345   9.862
   28   2HD2  ASN   4          2HD2      ASN   4 -10.843   9.868  11.481
   29    HA   PRO   5           HA       PRO   5  -7.232   4.892   7.740
   30   1HB   PRO   5          1HB       PRO   5  -7.458   4.247   5.002
   31   2HB   PRO   5          2HB       PRO   5  -8.137   3.364   6.394
   32   1HG   PRO   5          1HG       PRO   5  -9.378   5.131   4.407
   33   2HG   PRO   5          2HG       PRO   5 -10.137   3.876   5.403
   34   1HD   PRO   5          1HD       PRO   5 -10.386   6.628   5.887
   35   2HD   PRO   5          2HD       PRO   5 -10.584   5.365   7.129
   36    H    CYS   6           H        CYS   6  -7.422   7.121   4.826
   37    HA   CYS   6           HA       CYS   6  -4.472   7.154   4.798
   38   1HB   CYS   6          1HB       CYS   6  -6.615   8.052   2.904
   39   2HB   CYS   6          2HB       CYS   6  -5.007   8.738   2.786
   40    H    GLU   7           H        GLU   7  -4.511   8.177   7.016
   41    HA   GLU   7           HA       GLU   7  -4.085  11.105   6.562
   42   1HB   GLU   7          1HB       GLU   7  -5.827  10.746   8.258
   43   2HB   GLU   7          2HB       GLU   7  -4.718   9.753   9.215
   44   1HG   GLU   7          1HG       GLU   7  -3.214  11.692   9.510
   45   2HG   GLU   7          2HG       GLU   7  -4.198  12.658   8.413
   46    H    CYS   8           H        CYS   8  -2.034  10.640   5.585
   47    HA   CYS   8           HA       CYS   8   0.102   9.908   7.407
   48   1HB   CYS   8          1HB       CYS   8  -1.189   7.930   5.678
   49   2HB   CYS   8          2HB       CYS   8   0.495   8.131   5.220
   50    HA   PRO   9           HA       PRO   9   2.339  12.404   4.588
   51   1HB   PRO   9          1HB       PRO   9   4.920  11.586   4.814
   52   2HB   PRO   9          2HB       PRO   9   4.011  12.214   6.225
   53   1HG   PRO   9          1HG       PRO   9   4.487   9.316   5.440
   54   2HG   PRO   9          2HG       PRO   9   4.714  10.076   7.051
   55   1HD   PRO   9          1HD       PRO   9   2.458   8.703   6.273
   56   2HD   PRO   9          2HD       PRO   9   2.420  10.024   7.476
   57    H    ARG  10           H        ARG  10   3.651  12.516   2.591
   58    HA   ARG  10           HA       ARG  10   3.126  10.338   0.693
   59   1HB   ARG  10          1HB       ARG  10   4.674  12.954   0.365
   60   2HB   ARG  10          2HB       ARG  10   4.176  11.874  -0.941
   61   1HG   ARG  10          1HG       ARG  10   1.794  12.341  -0.449
   62   2HG   ARG  10          2HG       ARG  10   2.281  13.432   0.871
   63   1HD   ARG  10          1HD       ARG  10   3.606  14.768  -0.784
   64   2HD   ARG  10          2HD       ARG  10   2.951  13.753  -2.086
   65    HE   ARG  10           HE       ARG  10   0.757  14.675  -0.646
   66   1HH1  ARG  10          2HH2      ARG  10   3.343  16.120  -2.555
   67   2HH1  ARG  10          1HH2      ARG  10   2.479  17.563  -2.961
   68   1HH2  ARG  10          2HH1      ARG  10  -0.435  16.592  -1.151
   69   2HH2  ARG  10          1HH1      ARG  10   0.261  17.820  -2.141
   70    H    ALA  11           H        ALA  11   4.695   9.359   2.756
   71    HA   ALA  11           HA       ALA  11   7.439   9.458   2.237
   72   1HB   ALA  11          1HB       ALA  11   5.798   7.414   3.782
   73   2HB   ALA  11          2HB       ALA  11   7.570   7.533   3.810
   74   3HB   ALA  11          3HB       ALA  11   6.597   8.866   4.443
   75    H    LEU  12           H        LEU  12   8.642   8.437   0.677
   76    HA   LEU  12           HA       LEU  12   7.506   6.431  -1.081
   77   1HB   LEU  12          1HB       LEU  12  10.078   8.046  -0.736
   78   2HB   LEU  12          2HB       LEU  12  10.032   6.729  -1.868
   79    HG   LEU  12           HG       LEU  12   9.684   8.948  -2.819
   80   1HD1  LEU  12          1HD1      LEU  12   9.067   6.869  -4.029
   81   2HD1  LEU  12          2HD1      LEU  12   7.428   6.953  -3.337
   82   3HD1  LEU  12          3HD1      LEU  12   7.989   8.206  -4.462
   83   1HD2  LEU  12          1HD2      LEU  12   7.536  10.042  -2.853
   84   2HD2  LEU  12          2HD2      LEU  12   6.866   8.853  -1.725
   85   3HD2  LEU  12          3HD2      LEU  12   8.161   9.961  -1.202
   86    H    HIS  13           H        HIS  13   7.444   5.327   1.448
   87    HA   HIS  13           HA       HIS  13   9.870   3.618   1.842
   88   1HB   HIS  13          1HB       HIS  13   7.291   3.985   3.430
   89   2HB   HIS  13          2HB       HIS  13   8.408   2.660   3.717
   90    HD1  HIS  13           HD1      HIS  13   9.066   3.326   6.092
   91    HD2  HIS  13           HD2      HIS  13   9.766   6.273   3.160
   92    HE1  HIS  13           HE1      HIS  13  10.428   5.183   7.215
   93    H    ARG  14           H        ARG  14   9.228   2.916  -0.563
   94    HA   ARG  14           HA       ARG  14   6.754   1.785  -1.071
   95   1HB   ARG  14          1HB       ARG  14   9.401   1.030  -2.381
   96   2HB   ARG  14          2HB       ARG  14   7.806   0.546  -2.963
   97   1HG   ARG  14          1HG       ARG  14   7.170   3.017  -3.059
   98   2HG   ARG  14          2HG       ARG  14   8.859   3.396  -2.707
   99   1HD   ARG  14          1HD       ARG  14   8.524   3.564  -5.076
  100   2HD   ARG  14          2HD       ARG  14   9.536   2.142  -4.759
  101    HE   ARG  14           HE       ARG  14   6.794   1.373  -4.832
  102   1HH1  ARG  14          2HH2      ARG  14   9.350   2.411  -7.037
  103   2HH1  ARG  14          1HH2      ARG  14   8.736   1.567  -8.417
  104   1HH2  ARG  14          2HH1      ARG  14   5.924   0.259  -6.685
  105   2HH2  ARG  14          1HH1      ARG  14   6.747   0.305  -8.193
  106    H    VAL  15           H        VAL  15   5.695  -0.133  -0.888
  107    HA   VAL  15           HA       VAL  15   7.083  -2.429   0.350
  108    HB   VAL  15           HB       VAL  15   5.390  -2.828   1.916
  109   1HG1  VAL  15          1HG1      VAL  15   5.939   0.084   2.224
  110   2HG1  VAL  15          2HG1      VAL  15   5.881  -1.149   3.498
  111   3HG1  VAL  15          3HG1      VAL  15   7.254  -1.088   2.358
  112   1HG2  VAL  15          1HG2      VAL  15   3.948  -0.291   1.010
  113   2HG2  VAL  15          2HG2      VAL  15   3.365  -1.951   0.778
  114   3HG2  VAL  15          3HG2      VAL  15   3.524  -1.327   2.399
  115    H    CYS  16           H        CYS  16   5.542  -4.467   0.258
  116    HA   CYS  16           HA       CYS  16   3.680  -4.172  -2.060
  117   1HB   CYS  16          1HB       CYS  16   5.325  -5.209  -3.139
  118   2HB   CYS  16          2HB       CYS  16   6.015  -5.967  -1.708
  119    H    GLY  17           H        GLY  17   1.801  -5.204  -2.052
  120   1HA   GLY  17          1HA       GLY  17   0.872  -6.379   0.521
  121   2HA   GLY  17          2HA       GLY  17  -0.130  -5.832  -0.825
  122    H    SER  18           H        SER  18  -0.350  -8.326   0.342
  123    HA   SER  18           HA       SER  18   0.632 -10.591  -0.424
  124   1HB   SER  18          1HB       SER  18  -1.348 -11.494   0.194
  125   2HB   SER  18          2HB       SER  18  -1.718  -9.843   0.615
  126    HG   SER  18           HG       SER  18  -2.802  -9.650  -1.586
  127    H    ASP  19           H        ASP  19  -1.246  -8.834  -2.612
  128    HA   ASP  19           HA       ASP  19  -1.516 -10.435  -4.803
  129   1HB   ASP  19          1HB       ASP  19  -1.498  -7.410  -4.409
  130   2HB   ASP  19          2HB       ASP  19  -2.340  -8.223  -5.713
  131    H    GLY  20           H        GLY  20   1.475  -9.246  -3.769
  132   1HA   GLY  20          1HA       GLY  20   3.503  -8.947  -4.862
  133   2HA   GLY  20          2HA       GLY  20   2.735  -9.210  -6.426
  134    H    ASN  21           H        ASN  21   0.752  -7.100  -4.965
  135    HA   ASN  21           HA       ASN  21   1.329  -5.016  -6.718
  136   1HB   ASN  21          1HB       ASN  21  -0.913  -5.887  -5.970
  137   2HB   ASN  21          2HB       ASN  21  -0.656  -5.101  -4.411
  138   1HD2  ASN  21          1HD2      ASN  21  -1.718  -4.702  -7.690
  139   2HD2  ASN  21          2HD2      ASN  21  -2.022  -2.979  -7.546
  140    H    THR  22           H        THR  22   3.235  -3.777  -6.255
  141    HA   THR  22           HA       THR  22   3.916  -3.023  -3.666
  142    HB   THR  22           HB       THR  22   4.782  -1.682  -6.230
  143    HG1  THR  22           HG1      THR  22   5.564  -3.672  -6.497
  144   1HG2  THR  22          1HG2      THR  22   6.226  -1.894  -3.536
  145   2HG2  THR  22          2HG2      THR  22   6.799  -1.045  -4.951
  146   3HG2  THR  22          3HG2      THR  22   5.393  -0.433  -4.054
  147    H    TYR  23           H        TYR  23   3.650  -1.100  -2.488
  148    HA   TYR  23           HA       TYR  23   1.774   1.012  -3.400
  149   1HB   TYR  23          1HB       TYR  23   2.049  -0.387  -0.700
  150   2HB   TYR  23          2HB       TYR  23   1.350   1.204  -0.846
  151    HD1  TYR  23           HD1      TYR  23   0.875  -2.357  -1.923
  152    HD2  TYR  23           HD2      TYR  23  -0.921   1.532  -1.394
  153    HE1  TYR  23           HE1      TYR  23  -1.366  -3.337  -2.295
  154    HE2  TYR  23           HE2      TYR  23  -3.154   0.564  -1.743
  155    HH   TYR  23           HH       TYR  23  -4.297  -1.331  -2.506
  156    H    SER  24           H        SER  24   2.394   3.114  -2.599
  157    HA   SER  24           HA       SER  24   5.110   3.655  -2.506
  158   1HB   SER  24          1HB       SER  24   3.357   5.297  -3.147
  159   2HB   SER  24          2HB       SER  24   2.920   5.457  -1.434
  160    HG   SER  24           HG       SER  24   5.168   6.086  -1.086
  161    H    ASN  25           H        ASN  25   2.972   2.917   0.263
  162    HA   ASN  25           HA       ASN  25   5.164   2.481   1.989
  163   1HB   ASN  25          1HB       ASN  25   4.461   4.155   3.763
  164   2HB   ASN  25          2HB       ASN  25   5.232   4.861   2.368
  165   1HD2  ASN  25          1HD2      ASN  25   4.228   6.684   1.614
  166   2HD2  ASN  25          2HD2      ASN  25   2.571   7.121   2.035
  167    HA   PRO  26           HA       PRO  26   2.063  -0.190   3.391
  168   1HB   PRO  26          1HB       PRO  26   2.516  -0.738   6.014
  169   2HB   PRO  26          2HB       PRO  26   3.624  -1.242   4.705
  170   1HG   PRO  26          1HG       PRO  26   3.869   1.146   6.534
  171   2HG   PRO  26          2HG       PRO  26   5.130  -0.011   6.013
  172   1HD   PRO  26          1HD       PRO  26   4.726   2.469   4.903
  173   2HD   PRO  26          2HD       PRO  26   5.463   1.131   4.009
  174    H    CYS  27           H        CYS  27   2.211   2.966   4.801
  175    HA   CYS  27           HA       CYS  27  -0.220   2.843   6.316
  176   1HB   CYS  27          1HB       CYS  27   1.660   4.640   6.336
  177   2HB   CYS  27          2HB       CYS  27   0.812   5.351   4.973
  178    H    MET  28           H        MET  28   0.551   3.803   2.943
  179    HA   MET  28           HA       MET  28  -2.087   4.384   2.074
  180   1HB   MET  28          1HB       MET  28   0.258   3.195   0.527
  181   2HB   MET  28          2HB       MET  28  -1.221   3.794  -0.210
  182   1HG   MET  28          1HG       MET  28  -0.068   5.775   1.619
  183   2HG   MET  28          2HG       MET  28   1.097   5.272   0.399
  184   1HE   MET  28          1HE       MET  28  -0.617   6.325  -2.957
  185   2HE   MET  28          2HE       MET  28   0.919   5.877  -2.195
  186   3HE   MET  28          3HE       MET  28  -0.438   4.726  -2.206
  187    H    LEU  29           H        LEU  29  -0.331   1.275   2.031
  188    HA   LEU  29           HA       LEU  29  -2.374  -0.415   1.041
  189   1HB   LEU  29          1HB       LEU  29  -0.407  -1.303   1.071
  190   2HB   LEU  29          2HB       LEU  29   0.151  -0.680   2.587
  191    HG   LEU  29           HG       LEU  29  -1.785  -2.933   2.619
  192   1HD1  LEU  29          1HD1      LEU  29   0.144  -4.518   2.328
  193   2HD1  LEU  29          2HD1      LEU  29  -0.041  -3.519   0.885
  194   3HD1  LEU  29          3HD1      LEU  29   1.231  -3.146   2.058
  195   1HD2  LEU  29          1HD2      LEU  29   0.637  -2.267   4.338
  196   2HD2  LEU  29          2HD2      LEU  29  -1.061  -2.137   4.826
  197   3HD2  LEU  29          3HD2      LEU  29  -0.396  -3.708   4.484
  198    H    THR  30           H        THR  30  -1.428  -0.004   4.381
  199    HA   THR  30           HA       THR  30  -3.692  -1.395   5.374
  200    HB   THR  30           HB       THR  30  -1.512  -0.395   6.591
  201    HG1  THR  30           HG1      THR  30  -2.516  -1.176   8.497
  202   1HG2  THR  30          1HG2      THR  30  -3.794   1.196   7.780
  203   2HG2  THR  30          2HG2      THR  30  -2.081   1.156   8.306
  204   3HG2  THR  30          3HG2      THR  30  -2.508   1.868   6.745
  205    H    CYS  31           H        CYS  31  -3.412   2.137   4.753
  206    HA   CYS  31           HA       CYS  31  -5.850   2.959   5.553
  207   1HB   CYS  31          1HB       CYS  31  -4.536   4.712   4.727
  208   2HB   CYS  31          2HB       CYS  31  -3.995   3.790   3.342
  209    H    ALA  32           H        ALA  32  -5.038   1.964   2.222
  210    HA   ALA  32           HA       ALA  32  -7.469   1.596   1.000
  211   1HB   ALA  32          1HB       ALA  32  -5.106  -0.267   0.777
  212   2HB   ALA  32          2HB       ALA  32  -6.399  -0.008  -0.397
  213   3HB   ALA  32          3HB       ALA  32  -5.256   1.319  -0.015
  214    H    LYS  33           H        LYS  33  -5.825  -0.691   3.021
  215    HA   LYS  33           HA       LYS  33  -7.537  -2.953   2.824
  216   1HB   LYS  33          1HB       LYS  33  -5.239  -2.866   3.854
  217   2HB   LYS  33          2HB       LYS  33  -5.987  -2.197   5.304
  218   1HG   LYS  33          1HG       LYS  33  -7.438  -4.139   5.516
  219   2HG   LYS  33          2HG       LYS  33  -6.762  -4.829   4.022
  220   1HD   LYS  33          1HD       LYS  33  -4.666  -5.187   4.879
  221   2HD   LYS  33          2HD       LYS  33  -4.895  -4.157   6.232
  222   1HE   LYS  33          1HE       LYS  33  -6.606  -6.611   5.708
  223   2HE   LYS  33          2HE       LYS  33  -5.110  -6.711   6.634
  224   1HZ   LYS  33          1HZ       LYS  33  -6.107  -5.128   8.227
  225   2HZ   LYS  33          2HZ       LYS  33  -7.490  -5.092   7.341
  226   3HZ   LYS  33          3HZ       LYS  33  -7.041  -6.484   8.079
  227    H    HIS  34           H        HIS  34  -7.533  -0.457   5.341
  228    HA   HIS  34           HA       HIS  34 -10.124  -1.258   6.408
  229   1HB   HIS  34          1HB       HIS  34  -8.186   1.045   6.805
  230   2HB   HIS  34          2HB       HIS  34  -9.790   1.074   7.501
  231    HD1  HIS  34           HD1      HIS  34  -9.498   0.353  10.017
  232    HD2  HIS  34           HD2      HIS  34  -7.148  -1.857   7.312
  233    HE1  HIS  34           HE1      HIS  34  -8.335  -1.481  11.368
  234    H    GLU  35           H        GLU  35  -9.045   0.909   3.899
  235    HA   GLU  35           HA       GLU  35 -11.465   2.500   3.833
  236   1HB   GLU  35          1HB       GLU  35  -9.068   3.015   2.958
  237   2HB   GLU  35          2HB       GLU  35  -9.591   2.254   1.474
  238   1HG   GLU  35          1HG       GLU  35 -11.034   4.563   2.824
  239   2HG   GLU  35          2HG       GLU  35  -9.647   4.838   1.806
  240    H    GLY  36           H        GLY  36 -10.403  -0.336   1.949
  241   1HA   GLY  36          1HA       GLY  36 -13.104  -1.269   1.552
  242   2HA   GLY  36          2HA       GLY  36 -12.500  -0.459   0.112
  243    H    ASN  37           H        ASN  37 -10.115  -2.298   2.057
  244    HA   ASN  37           HA       ASN  37 -10.230  -4.521   0.040
  245   1HB   ASN  37          1HB       ASN  37  -8.378  -2.574  -0.312
  246   2HB   ASN  37          2HB       ASN  37  -7.562  -3.404   0.922
  247   1HD2  ASN  37          1HD2      ASN  37  -6.513  -3.210  -1.659
  248   2HD2  ASN  37          2HD2      ASN  37  -6.452  -4.856  -2.266
  249    HA   PRO  38           HA       PRO  38  -9.993  -5.647   4.619
  250   1HB   PRO  38          1HB       PRO  38 -11.873  -7.706   4.612
  251   2HB   PRO  38          2HB       PRO  38 -12.229  -5.984   4.951
  252   1HG   PRO  38          1HG       PRO  38 -12.522  -7.481   2.331
  253   2HG   PRO  38          2HG       PRO  38 -13.685  -6.359   3.106
  254   1HD   PRO  38          1HD       PRO  38 -12.051  -5.532   1.109
  255   2HD   PRO  38          2HD       PRO  38 -12.388  -4.464   2.507
  256    H    ASP  39           H        ASP  39  -9.985  -7.496   1.704
  257    HA   ASP  39           HA       ASP  39  -8.729  -9.926   2.302
  258   1HB   ASP  39          1HB       ASP  39  -9.134  -8.064  -0.069
  259   2HB   ASP  39          2HB       ASP  39  -8.212  -9.540  -0.251
  260    H    LEU  40           H        LEU  40  -7.352  -6.681   1.890
  261    HA   LEU  40           HA       LEU  40  -4.709  -7.575   0.955
  262   1HB   LEU  40          1HB       LEU  40  -5.314  -5.473   0.170
  263   2HB   LEU  40          2HB       LEU  40  -6.112  -5.030   1.681
  264    HG   LEU  40           HG       LEU  40  -4.147  -4.552   2.763
  265   1HD1  LEU  40          1HD1      LEU  40  -2.095  -5.069   2.184
  266   2HD1  LEU  40          2HD1      LEU  40  -2.709  -5.916   0.743
  267   3HD1  LEU  40          3HD1      LEU  40  -2.232  -4.223   0.627
  268   1HD2  LEU  40          1HD2      LEU  40  -5.269  -2.755   1.515
  269   2HD2  LEU  40          2HD2      LEU  40  -3.522  -2.489   1.380
  270   3HD2  LEU  40          3HD2      LEU  40  -4.407  -3.201   0.041
  271    H    VAL  41           H        VAL  41  -2.782  -7.333   2.187
  272    HA   VAL  41           HA       VAL  41  -2.918  -7.026   5.065
  273    HB   VAL  41           HB       VAL  41  -1.673  -9.156   5.360
  274   1HG1  VAL  41          1HG1      VAL  41  -4.166  -9.002   5.722
  275   2HG1  VAL  41          2HG1      VAL  41  -4.379  -9.720   4.103
  276   3HG1  VAL  41          3HG1      VAL  41  -3.549 -10.632   5.360
  277   1HG2  VAL  41          1HG2      VAL  41  -0.920  -9.474   2.997
  278   2HG2  VAL  41          2HG2      VAL  41  -1.694 -10.905   3.672
  279   3HG2  VAL  41          3HG2      VAL  41  -2.599  -9.878   2.554
  280    H    GLN  42           H        GLN  42  -0.853  -6.483   5.932
  281    HA   GLN  42           HA       GLN  42   1.275  -5.697   4.072
  282   1HB   GLN  42          1HB       GLN  42   0.795  -4.397   6.183
  283   2HB   GLN  42          2HB       GLN  42   1.232  -5.804   7.124
  284   1HG   GLN  42          1HG       GLN  42   3.375  -5.309   5.233
  285   2HG   GLN  42          2HG       GLN  42   2.928  -3.767   5.935
  286   1HE2  GLN  42          1HE2      GLN  42   3.398  -7.179   7.051
  287   2HE2  GLN  42          2HE2      GLN  42   4.376  -6.721   8.458
  288    H    VAL  43           H        VAL  43   1.525  -7.801   3.048
  289    HA   VAL  43           HA       VAL  43   2.159 -10.186   4.327
  290    HB   VAL  43           HB       VAL  43   3.625 -10.575   2.187
  291   1HG1  VAL  43          1HG1      VAL  43   1.789 -11.384   1.032
  292   2HG1  VAL  43          2HG1      VAL  43   1.321 -11.529   2.720
  293   3HG1  VAL  43          3HG1      VAL  43   0.664 -10.199   1.742
  294   1HG2  VAL  43          1HG2      VAL  43   3.734  -8.239   1.410
  295   2HG2  VAL  43          2HG2      VAL  43   2.870  -9.246   0.243
  296   3HG2  VAL  43          3HG2      VAL  43   1.963  -8.167   1.315
  297    H    HIS  44           H        HIS  44   4.257  -7.425   3.325
  298    HA   HIS  44           HA       HIS  44   5.623  -7.528   5.717
  299   1HB   HIS  44          1HB       HIS  44   6.925  -9.346   4.429
  300   2HB   HIS  44          2HB       HIS  44   7.419  -8.073   3.313
  301    HD1  HIS  44           HD1      HIS  44   7.357  -8.079   7.229
  302    HD2  HIS  44           HD2      HIS  44   9.916  -7.582   3.918
  303    HE1  HIS  44           HE1      HIS  44   9.618  -7.328   8.154
  304    H    GLU  45           H        GLU  45   7.553  -5.770   5.292
  305    HA   GLU  45           HA       GLU  45   6.486  -3.548   3.660
  306   1HB   GLU  45          1HB       GLU  45   8.764  -3.658   5.674
  307   2HB   GLU  45          2HB       GLU  45   8.319  -2.264   4.668
  308   1HG   GLU  45          1HG       GLU  45   5.979  -2.415   5.762
  309   2HG   GLU  45          2HG       GLU  45   6.737  -3.479   6.945
  310    H    GLY  46           H        GLY  46   8.612  -2.461   2.556
  311   1HA   GLY  46          1HA       GLY  46  10.296  -2.662   1.022
  312   2HA   GLY  46          2HA       GLY  46  10.498  -4.381   1.418
  313    HA   PRO  47           HA       PRO  47   7.471  -3.563  -2.187
  314   1HB   PRO  47          1HB       PRO  47   8.824  -2.903  -4.409
  315   2HB   PRO  47          2HB       PRO  47   8.538  -1.709  -3.101
  316   1HG   PRO  47          1HG       PRO  47  11.044  -3.378  -3.535
  317   2HG   PRO  47          2HG       PRO  47  10.926  -1.596  -3.324
  318   1HD   PRO  47          1HD       PRO  47  11.428  -3.290  -1.227
  319   2HD   PRO  47          2HD       PRO  47  10.468  -1.795  -1.038
  320    H    CYS  48           H        CYS  48   6.974  -4.922  -3.975
  321    HA   CYS  48           HA       CYS  48   8.557  -7.418  -4.295
  322   1HB   CYS  48          1HB       CYS  48   5.740  -6.608  -5.103
  323   2HB   CYS  48          2HB       CYS  48   6.539  -8.035  -5.746
  324    H    ASP  49           H        ASP  49   6.519  -5.805  -6.712
  325    HA   ASP  49           HA       ASP  49   8.355  -4.053  -7.715
  326   1HB   ASP  49          1HB       ASP  49   9.487  -5.030  -9.392
  327   2HB   ASP  49          2HB       ASP  49   9.402  -6.424  -8.342
  328    H    GLU  50           H        GLU  50   7.329  -4.580 -10.578
  329    HA   GLU  50           HA       GLU  50   4.518  -3.734 -10.274
  330   1HB   GLU  50          1HB       GLU  50   6.341  -2.342 -11.647
  331   2HB   GLU  50          2HB       GLU  50   6.028  -3.528 -12.893
  332   1HG   GLU  50          1HG       GLU  50   4.052  -1.654 -11.526
  333   2HG   GLU  50          2HG       GLU  50   4.609  -1.574 -13.195
  334    H    HIS  51           H        HIS  51   6.129  -5.351 -12.975
  335    HA   HIS  51           HA       HIS  51   5.418  -8.039 -12.255
  336   1HB   HIS  51          1HB       HIS  51   3.835  -6.570 -14.366
  337   2HB   HIS  51          2HB       HIS  51   4.426  -8.168 -14.790
  338    HD1  HIS  51           HD1      HIS  51   3.123  -7.391 -11.277
  339    HD2  HIS  51           HD2      HIS  51   2.083  -9.374 -14.839
  340    HE1  HIS  51           HE1      HIS  51   1.036  -8.837 -10.749
  341    H    ASP  52           H        ASP  52   6.301  -5.915 -15.078
  342    HA   ASP  52           HA       ASP  52   9.007  -6.491 -15.016
  343   1HB   ASP  52          1HB       ASP  52   9.399  -7.733 -17.008
  344   2HB   ASP  52          2HB       ASP  52   8.333  -8.720 -16.035
  345    H    HIS  53           H        HIS  53  10.047  -5.358 -16.903
  346    HA   HIS  53           HA       HIS  53   8.353  -3.268 -18.100
  347   1HB   HIS  53          1HB       HIS  53  10.004  -2.488 -16.298
  348   2HB   HIS  53          2HB       HIS  53  11.279  -2.844 -17.455
  349    HD1  HIS  53           HD1      HIS  53   8.747  -0.254 -16.567
  350    HD2  HIS  53           HD2      HIS  53  11.040  -1.377 -19.914
  351    HE1  HIS  53           HE1      HIS  53   8.786   1.768 -18.144
  352    H    ASP  54           H        ASP  54   7.940  -4.815 -19.864
  353    HA   ASP  54           HA       ASP  54  10.150  -5.492 -21.601
  354   1HB   ASP  54          1HB       ASP  54   8.543  -6.315 -23.109
  355   2HB   ASP  54          2HB       ASP  54   8.043  -6.789 -21.496
  356    H    PHE  55           H        PHE  55   9.808  -4.668 -24.075
  357    HA   PHE  55           HA       PHE  55  10.275  -1.753 -23.876
  358   1HB   PHE  55          2HB       PHE  55  11.645  -1.989 -25.872
  359   2HB   PHE  55          1HB       PHE  55  12.253  -2.945 -24.534
  360    HD1  PHE  55           HD1      PHE  55  12.477  -5.345 -24.707
  361    HD2  PHE  55           HD2      PHE  55  10.475  -3.127 -27.807
  362    HE1  PHE  55           HE1      PHE  55  12.561  -7.336 -26.185
  363    HE2  PHE  55           HE2      PHE  55  10.571  -5.112 -29.292
  364    HZ   PHE  55           HZ       PHE  55  11.612  -7.224 -28.484
  Start of MODEL    4
    1   1H    PHE   1          1H        PHE   1 -14.510   6.284   6.247
    2   2H    PHE   1          2H        PHE   1 -15.513   5.495   5.209
    3   3H    PHE   1          3H        PHE   1 -14.758   4.651   6.414
    4    HA   PHE   1           HA       PHE   1 -12.610   5.080   5.369
    5   1HB   PHE   1          2HB       PHE   1 -13.057   3.769   3.295
    6   2HB   PHE   1          1HB       PHE   1 -13.456   3.036   4.827
    7    HD1  PHE   1           HD1      PHE   1 -14.868   4.527   1.716
    8    HD2  PHE   1           HD2      PHE   1 -15.753   2.359   5.346
    9    HE1  PHE   1           HE1      PHE   1 -17.157   4.081   0.898
   10    HE2  PHE   1           HE2      PHE   1 -18.043   1.921   4.518
   11    HZ   PHE   1           HZ       PHE   1 -18.756   2.781   2.296
   12    H    GLN   2           H        GLN   2 -11.601   6.715   4.481
   13    HA   GLN   2           HA       GLN   2 -11.401   6.671   1.985
   14   1HB   GLN   2          1HB       GLN   2 -13.453   7.996   1.507
   15   2HB   GLN   2          2HB       GLN   2 -12.741   9.375   2.361
   16   1HG   GLN   2          1HG       GLN   2 -10.765   9.117   0.686
   17   2HG   GLN   2          2HG       GLN   2 -11.771   7.928  -0.144
   18   1HE2  GLN   2          1HE2      GLN   2 -12.356   9.011  -2.068
   19   2HE2  GLN   2          2HE2      GLN   2 -13.051  10.628  -2.071
   20    H    GLY   3           H        GLY   3 -11.313   9.828   3.549
   21   1HA   GLY   3          1HA       GLY   3  -8.528  10.157   3.071
   22   2HA   GLY   3          2HA       GLY   3  -9.556  11.241   4.020
   23    H    ASN   4           H        ASN   4 -10.324   9.390   6.103
   24    HA   ASN   4           HA       ASN   4  -8.119   9.861   7.735
   25   1HB   ASN   4          1HB       ASN   4 -10.711   9.323   8.330
   26   2HB   ASN   4          2HB       ASN   4  -9.973   7.799   8.833
   27   1HD2  ASN   4          1HD2      ASN   4  -7.380   8.742   9.662
   28   2HD2  ASN   4          2HD2      ASN   4  -7.463  10.032  10.812
   29    HA   PRO   5           HA       PRO   5  -6.774   5.199   7.623
   30   1HB   PRO   5          1HB       PRO   5  -7.162   4.086   5.111
   31   2HB   PRO   5          2HB       PRO   5  -8.080   3.691   6.590
   32   1HG   PRO   5          1HG       PRO   5  -8.715   5.470   4.269
   33   2HG   PRO   5          2HG       PRO   5  -9.809   4.373   5.156
   34   1HD   PRO   5          1HD       PRO   5  -9.827   7.034   5.639
   35   2HD   PRO   5          2HD       PRO   5 -10.011   5.882   6.985
   36    H    CYS   6           H        CYS   6  -6.742   7.630   5.017
   37    HA   CYS   6           HA       CYS   6  -3.865   7.092   4.515
   38   1HB   CYS   6          1HB       CYS   6  -6.129   8.127   2.833
   39   2HB   CYS   6          2HB       CYS   6  -4.497   8.673   2.493
   40    H    GLU   7           H        GLU   7  -5.007   8.600   6.869
   41    HA   GLU   7           HA       GLU   7  -4.458  11.351   6.691
   42   1HB   GLU   7          1HB       GLU   7  -5.481  10.004   8.555
   43   2HB   GLU   7          2HB       GLU   7  -3.863   9.456   9.004
   44   1HG   GLU   7          1HG       GLU   7  -3.255  11.827   9.491
   45   2HG   GLU   7          2HG       GLU   7  -4.886  12.330   9.018
   46    H    CYS   8           H        CYS   8  -2.321   8.644   6.731
   47    HA   CYS   8           HA       CYS   8   0.174   9.669   7.439
   48   1HB   CYS   8          1HB       CYS   8  -0.942   7.352   5.923
   49   2HB   CYS   8          2HB       CYS   8   0.738   7.698   5.591
   50    HA   PRO   9           HA       PRO   9   1.658  12.044   4.121
   51   1HB   PRO   9          1HB       PRO   9   4.342  11.684   4.105
   52   2HB   PRO   9          2HB       PRO   9   3.496  12.328   5.546
   53   1HG   PRO   9          1HG       PRO   9   4.384   9.474   5.029
   54   2HG   PRO   9          2HG       PRO   9   4.627  10.456   6.509
   55   1HD   PRO   9          1HD       PRO   9   2.576   8.644   6.146
   56   2HD   PRO   9          2HD       PRO   9   2.440  10.044   7.219
   57    H    ARG  10           H        ARG  10   2.635  12.082   1.947
   58    HA   ARG  10           HA       ARG  10   2.318   9.525   0.491
   59   1HB   ARG  10          1HB       ARG  10   2.973  12.329  -0.543
   60   2HB   ARG  10          2HB       ARG  10   2.579  10.911  -1.501
   61   1HG   ARG  10          1HG       ARG  10   0.609  12.016  -1.563
   62   2HG   ARG  10          2HG       ARG  10   0.287  10.894  -0.252
   63   1HD   ARG  10          1HD       ARG  10   1.364  13.625   0.473
   64   2HD   ARG  10          2HD       ARG  10  -0.249  13.558  -0.234
   65    HE   ARG  10           HE       ARG  10  -0.114  11.648   1.870
   66   1HH1  ARG  10          2HH2      ARG  10  -0.400  15.141   1.332
   67   2HH1  ARG  10          1HH2      ARG  10  -1.242  15.441   2.810
   68   1HH2  ARG  10          2HH1      ARG  10  -1.139  12.051   3.900
   69   2HH2  ARG  10          1HH1      ARG  10  -1.725  13.624   4.274
   70    H    ALA  11           H        ALA  11   4.390   9.411   2.317
   71    HA   ALA  11           HA       ALA  11   6.928   9.833   1.223
   72   1HB   ALA  11          1HB       ALA  11   7.636   8.403   3.134
   73   2HB   ALA  11          2HB       ALA  11   6.512   9.670   3.654
   74   3HB   ALA  11          3HB       ALA  11   5.935   7.999   3.451
   75    H    LEU  12           H        LEU  12   7.991   8.619  -0.309
   76    HA   LEU  12           HA       LEU  12   6.800   6.273  -1.460
   77   1HB   LEU  12          1HB       LEU  12   9.229   8.052  -1.840
   78   2HB   LEU  12          2HB       LEU  12   9.159   6.548  -2.694
   79    HG   LEU  12           HG       LEU  12   8.427   8.514  -3.960
   80   1HD1  LEU  12          1HD1      LEU  12   6.338   6.299  -3.714
   81   2HD1  LEU  12          2HD1      LEU  12   6.589   7.355  -5.120
   82   3HD1  LEU  12          3HD1      LEU  12   7.848   6.206  -4.648
   83   1HD2  LEU  12          1HD2      LEU  12   7.089   9.714  -2.291
   84   2HD2  LEU  12          2HD2      LEU  12   6.203   9.431  -3.793
   85   3HD2  LEU  12          3HD2      LEU  12   5.849   8.439  -2.368
   86    H    HIS  13           H        HIS  13   7.200   5.566   1.155
   87    HA   HIS  13           HA       HIS  13   9.710   3.977   1.396
   88   1HB   HIS  13          1HB       HIS  13   7.378   4.326   3.320
   89   2HB   HIS  13          2HB       HIS  13   8.869   3.447   3.649
   90    HD1  HIS  13           HD1      HIS  13  10.647   5.976   2.215
   91    HD2  HIS  13           HD2      HIS  13   7.939   5.944   5.440
   92    HE1  HIS  13           HE1      HIS  13  11.210   8.003   3.670
   93    H    ARG  14           H        ARG  14   8.631   3.093  -0.734
   94    HA   ARG  14           HA       ARG  14   6.232   1.836  -0.896
   95   1HB   ARG  14          1HB       ARG  14   8.826   1.261  -2.345
   96   2HB   ARG  14          2HB       ARG  14   7.308   0.448  -2.757
   97   1HG   ARG  14          1HG       ARG  14   6.230   2.451  -3.402
   98   2HG   ARG  14          2HG       ARG  14   7.537   3.474  -2.779
   99   1HD   ARG  14          1HD       ARG  14   7.433   3.028  -5.338
  100   2HD   ARG  14          2HD       ARG  14   8.995   2.911  -4.520
  101    HE   ARG  14           HE       ARG  14   8.452   0.418  -4.328
  102   1HH1  ARG  14          2HH2      ARG  14   7.185   2.196  -7.227
  103   2HH1  ARG  14          1HH2      ARG  14   7.349   0.705  -8.177
  104   1HH2  ARG  14          2HH1      ARG  14   8.930  -1.348  -6.013
  105   2HH2  ARG  14          1HH1      ARG  14   8.246  -0.963  -7.548
  106    H    VAL  15           H        VAL  15   5.271  -0.170  -0.805
  107    HA   VAL  15           HA       VAL  15   6.840  -2.452   0.205
  108    HB   VAL  15           HB       VAL  15   5.452  -2.878   2.069
  109   1HG1  VAL  15          1HG1      VAL  15   5.864  -1.010   3.483
  110   2HG1  VAL  15          2HG1      VAL  15   7.216  -1.106   2.331
  111   3HG1  VAL  15          3HG1      VAL  15   5.926   0.093   2.101
  112   1HG2  VAL  15          1HG2      VAL  15   3.230  -2.195   1.149
  113   2HG2  VAL  15          2HG2      VAL  15   3.578  -1.584   2.735
  114   3HG2  VAL  15          3HG2      VAL  15   3.707  -0.492   1.326
  115    H    CYS  16           H        CYS  16   5.642  -4.521   0.096
  116    HA   CYS  16           HA       CYS  16   3.557  -4.491  -2.000
  117   1HB   CYS  16          1HB       CYS  16   5.641  -5.822  -2.158
  118   2HB   CYS  16          2HB       CYS  16   5.115  -6.790  -0.837
  119    H    GLY  17           H        GLY  17   1.452  -4.918  -1.613
  120   1HA   GLY  17          1HA       GLY  17   0.731  -6.370   0.883
  121   2HA   GLY  17          2HA       GLY  17  -0.396  -5.509  -0.172
  122    H    SER  18           H        SER  18  -0.513  -8.194   0.521
  123    HA   SER  18           HA       SER  18   0.502 -10.105  -0.504
  124   1HB   SER  18          1HB       SER  18  -1.489 -11.474  -0.404
  125   2HB   SER  18          2HB       SER  18  -1.480 -10.252   0.807
  126    HG   SER  18           HG       SER  18  -3.163 -10.146  -1.562
  127    H    ASP  19           H        ASP  19  -1.869  -8.932  -2.794
  128    HA   ASP  19           HA       ASP  19  -1.166 -10.943  -4.654
  129   1HB   ASP  19          1HB       ASP  19  -3.016  -8.532  -4.744
  130   2HB   ASP  19          2HB       ASP  19  -2.971  -9.778  -5.992
  131    H    GLY  20           H        GLY  20   1.163  -9.564  -4.188
  132   1HA   GLY  20          1HA       GLY  20   2.980  -8.568  -5.308
  133   2HA   GLY  20          2HA       GLY  20   2.048  -8.563  -6.808
  134    H    ASN  21           H        ASN  21   0.340  -7.193  -4.266
  135    HA   ASN  21           HA       ASN  21  -0.192  -4.951  -5.828
  136   1HB   ASN  21          1HB       ASN  21  -1.653  -6.582  -4.327
  137   2HB   ASN  21          2HB       ASN  21  -1.282  -5.464  -3.034
  138   1HD2  ASN  21          1HD2      ASN  21  -2.407  -5.452  -6.486
  139   2HD2  ASN  21          2HD2      ASN  21  -3.665  -4.264  -6.199
  140    H    THR  22           H        THR  22   2.020  -3.960  -5.696
  141    HA   THR  22           HA       THR  22   3.043  -3.088  -3.258
  142    HB   THR  22           HB       THR  22   3.723  -2.015  -5.986
  143    HG1  THR  22           HG1      THR  22   3.928  -4.329  -5.617
  144   1HG2  THR  22          1HG2      THR  22   5.377  -2.035  -3.403
  145   2HG2  THR  22          2HG2      THR  22   5.882  -1.388  -4.963
  146   3HG2  THR  22          3HG2      THR  22   4.601  -0.592  -4.051
  147    H    TYR  23           H        TYR  23   3.002  -1.063  -2.150
  148    HA   TYR  23           HA       TYR  23   1.203   1.083  -3.104
  149   1HB   TYR  23          1HB       TYR  23   1.467  -0.153  -0.323
  150   2HB   TYR  23          2HB       TYR  23   0.741   1.403  -0.628
  151    HD1  TYR  23           HD1      TYR  23  -1.526   1.622  -1.571
  152    HD2  TYR  23           HD2      TYR  23   0.359  -2.231  -1.109
  153    HE1  TYR  23           HE1      TYR  23  -3.675   0.504  -2.105
  154    HE2  TYR  23           HE2      TYR  23  -1.767  -3.344  -1.657
  155    HH   TYR  23           HH       TYR  23  -3.755  -2.885  -2.895
  156    H    SER  24           H        SER  24   1.926   3.169  -2.450
  157    HA   SER  24           HA       SER  24   4.574   3.710  -2.542
  158   1HB   SER  24          1HB       SER  24   2.568   5.520  -1.174
  159   2HB   SER  24          2HB       SER  24   3.971   5.968  -2.162
  160    HG   SER  24           HG       SER  24   2.175   6.129  -3.459
  161    H    ASN  25           H        ASN  25   2.824   2.869   0.421
  162    HA   ASN  25           HA       ASN  25   5.188   2.592   1.916
  163   1HB   ASN  25          1HB       ASN  25   4.499   4.201   3.801
  164   2HB   ASN  25          2HB       ASN  25   5.193   4.933   2.387
  165   1HD2  ASN  25          1HD2      ASN  25   4.112   6.683   1.634
  166   2HD2  ASN  25          2HD2      ASN  25   2.566   7.224   2.313
  167    HA   PRO  26           HA       PRO  26   2.439  -0.315   3.689
  168   1HB   PRO  26          1HB       PRO  26   3.040  -0.549   6.339
  169   2HB   PRO  26          2HB       PRO  26   4.062  -1.166   5.011
  170   1HG   PRO  26          1HG       PRO  26   4.419   1.347   6.609
  171   2HG   PRO  26          2HG       PRO  26   5.661   0.195   6.016
  172   1HD   PRO  26          1HD       PRO  26   5.056   2.585   4.834
  173   2HD   PRO  26          2HD       PRO  26   5.729   1.222   3.938
  174    H    CYS  27           H        CYS  27   2.429   2.889   5.049
  175    HA   CYS  27           HA       CYS  27  -0.058   2.653   6.448
  176   1HB   CYS  27          1HB       CYS  27   1.885   4.554   6.438
  177   2HB   CYS  27          2HB       CYS  27   0.793   5.262   5.269
  178    H    MET  28           H        MET  28   0.807   3.574   3.076
  179    HA   MET  28           HA       MET  28  -1.872   4.168   2.252
  180   1HB   MET  28          1HB       MET  28   0.604   3.365   0.685
  181   2HB   MET  28          2HB       MET  28  -0.933   3.696  -0.072
  182   1HG   MET  28          1HG       MET  28   0.124   5.727   1.885
  183   2HG   MET  28          2HG       MET  28   0.952   5.572   0.345
  184   1HE   MET  28          1HE       MET  28  -1.473   4.937  -1.749
  185   2HE   MET  28          2HE       MET  28  -1.585   6.617  -2.303
  186   3HE   MET  28          3HE       MET  28   0.004   5.911  -1.912
  187    H    LEU  29           H        LEU  29  -0.072   1.098   2.332
  188    HA   LEU  29           HA       LEU  29  -2.118  -0.552   1.119
  189   1HB   LEU  29          1HB       LEU  29  -0.022  -1.399   1.301
  190   2HB   LEU  29          2HB       LEU  29   0.132  -1.079   3.057
  191    HG   LEU  29           HG       LEU  29  -1.342  -3.193   1.732
  192   1HD1  LEU  29          1HD1      LEU  29   0.516  -4.656   2.514
  193   2HD1  LEU  29          2HD1      LEU  29   1.015  -3.428   1.349
  194   3HD1  LEU  29          3HD1      LEU  29   1.339  -3.184   3.073
  195   1HD2  LEU  29          1HD2      LEU  29  -1.218  -4.317   4.063
  196   2HD2  LEU  29          2HD2      LEU  29  -0.728  -2.743   4.694
  197   3HD2  LEU  29          3HD2      LEU  29  -2.343  -2.974   3.959
  198    H    THR  30           H        THR  30  -1.233  -0.165   4.558
  199    HA   THR  30           HA       THR  30  -3.586  -1.465   5.427
  200    HB   THR  30           HB       THR  30  -1.412  -0.613   6.691
  201    HG1  THR  30           HG1      THR  30  -2.478  -1.289   8.575
  202   1HG2  THR  30          1HG2      THR  30  -3.554   1.247   7.710
  203   2HG2  THR  30          2HG2      THR  30  -1.887   1.049   8.332
  204   3HG2  THR  30          3HG2      THR  30  -2.158   1.711   6.708
  205    H    CYS  31           H        CYS  31  -3.135   2.065   4.776
  206    HA   CYS  31           HA       CYS  31  -5.492   3.003   5.469
  207   1HB   CYS  31          1HB       CYS  31  -3.956   4.559   4.421
  208   2HB   CYS  31          2HB       CYS  31  -3.810   3.562   3.011
  209    H    ALA  32           H        ALA  32  -4.761   1.862   2.178
  210    HA   ALA  32           HA       ALA  32  -7.233   1.636   0.987
  211   1HB   ALA  32          1HB       ALA  32  -5.090   1.284  -0.103
  212   2HB   ALA  32          2HB       ALA  32  -4.887  -0.263   0.754
  213   3HB   ALA  32          3HB       ALA  32  -6.226  -0.077  -0.394
  214    H    LYS  33           H        LYS  33  -5.615  -0.712   2.994
  215    HA   LYS  33           HA       LYS  33  -7.347  -2.932   2.764
  216   1HB   LYS  33          1HB       LYS  33  -5.055  -2.917   3.786
  217   2HB   LYS  33          2HB       LYS  33  -5.747  -2.156   5.204
  218   1HG   LYS  33          1HG       LYS  33  -7.248  -4.015   5.571
  219   2HG   LYS  33          2HG       LYS  33  -6.667  -4.833   4.109
  220   1HD   LYS  33          1HD       LYS  33  -4.518  -5.180   4.934
  221   2HD   LYS  33          2HD       LYS  33  -4.680  -4.039   6.196
  222   1HE   LYS  33          1HE       LYS  33  -6.397  -6.531   5.905
  223   2HE   LYS  33          2HE       LYS  33  -4.915  -6.495   6.859
  224   1HZ   LYS  33          1HZ       LYS  33  -6.055  -4.681   8.212
  225   2HZ   LYS  33          2HZ       LYS  33  -7.405  -4.978   7.360
  226   3HZ   LYS  33          3HZ       LYS  33  -6.787  -6.166   8.308
  227    H    HIS  34           H        HIS  34  -7.229  -0.575   5.388
  228    HA   HIS  34           HA       HIS  34  -9.775  -1.451   6.481
  229   1HB   HIS  34          1HB       HIS  34  -7.703   0.692   7.053
  230   2HB   HIS  34          2HB       HIS  34  -9.268   0.710   7.817
  231    HD1  HIS  34           HD1      HIS  34  -9.713  -1.368   9.590
  232    HD2  HIS  34           HD2      HIS  34  -6.076  -1.520   7.480
  233    HE1  HIS  34           HE1      HIS  34  -8.402  -3.352  10.527
  234    H    GLU  35           H        GLU  35  -8.769   0.849   4.159
  235    HA   GLU  35           HA       GLU  35 -11.209   2.455   4.238
  236   1HB   GLU  35          1HB       GLU  35  -8.957   3.116   3.235
  237   2HB   GLU  35          2HB       GLU  35  -9.414   2.226   1.802
  238   1HG   GLU  35          1HG       GLU  35 -10.978   4.520   3.049
  239   2HG   GLU  35          2HG       GLU  35  -9.744   4.763   1.843
  240    H    GLY  36           H        GLY  36 -10.176  -0.092   1.915
  241   1HA   GLY  36          1HA       GLY  36 -12.923  -1.085   1.586
  242   2HA   GLY  36          2HA       GLY  36 -12.272  -0.161   0.232
  243    H    ASN  37           H        ASN  37  -9.910  -2.098   2.008
  244    HA   ASN  37           HA       ASN  37 -10.122  -4.316   0.009
  245   1HB   ASN  37          1HB       ASN  37  -8.121  -2.430  -0.296
  246   2HB   ASN  37          2HB       ASN  37  -7.374  -3.387   0.867
  247   1HD2  ASN  37          1HD2      ASN  37  -6.172  -3.190  -1.593
  248   2HD2  ASN  37          2HD2      ASN  37  -6.278  -4.796  -2.287
  249    HA   PRO  38           HA       PRO  38  -9.825  -5.172   4.664
  250   1HB   PRO  38          1HB       PRO  38 -11.855  -7.038   4.965
  251   2HB   PRO  38          2HB       PRO  38 -12.065  -5.265   5.100
  252   1HG   PRO  38          1HG       PRO  38 -12.577  -7.027   2.689
  253   2HG   PRO  38          2HG       PRO  38 -13.630  -5.748   3.368
  254   1HD   PRO  38          1HD       PRO  38 -12.018  -5.267   1.234
  255   2HD   PRO  38          2HD       PRO  38 -12.245  -4.026   2.508
  256    H    ASP  39           H        ASP  39 -10.078  -7.237   1.928
  257    HA   ASP  39           HA       ASP  39  -8.956  -9.694   2.562
  258   1HB   ASP  39          1HB       ASP  39  -9.052  -7.839   0.136
  259   2HB   ASP  39          2HB       ASP  39  -8.488  -9.490   0.045
  260    H    LEU  40           H        LEU  40  -7.394  -6.578   2.019
  261    HA   LEU  40           HA       LEU  40  -4.819  -7.585   1.053
  262   1HB   LEU  40          1HB       LEU  40  -5.430  -5.423   0.313
  263   2HB   LEU  40          2HB       LEU  40  -6.032  -4.961   1.904
  264    HG   LEU  40           HG       LEU  40  -4.000  -4.626   2.789
  265   1HD1  LEU  40          1HD1      LEU  40  -2.828  -6.123   0.801
  266   2HD1  LEU  40          2HD1      LEU  40  -2.315  -4.489   0.410
  267   3HD1  LEU  40          3HD1      LEU  40  -2.008  -5.172   2.050
  268   1HD2  LEU  40          1HD2      LEU  40  -4.162  -3.140   0.125
  269   2HD2  LEU  40          2HD2      LEU  40  -5.076  -2.721   1.554
  270   3HD2  LEU  40          3HD2      LEU  40  -3.319  -2.552   1.556
  271    H    VAL  41           H        VAL  41  -2.840  -7.450   2.212
  272    HA   VAL  41           HA       VAL  41  -2.877  -7.164   5.103
  273    HB   VAL  41           HB       VAL  41  -1.728  -9.349   5.352
  274   1HG1  VAL  41          1HG1      VAL  41  -4.469  -9.775   4.144
  275   2HG1  VAL  41          2HG1      VAL  41  -3.645 -10.749   5.369
  276   3HG1  VAL  41          3HG1      VAL  41  -4.184  -9.099   5.774
  277   1HG2  VAL  41          1HG2      VAL  41  -1.890 -11.086   3.646
  278   2HG2  VAL  41          2HG2      VAL  41  -2.702  -9.971   2.537
  279   3HG2  VAL  41          3HG2      VAL  41  -0.997  -9.710   3.007
  280    H    GLN  42           H        GLN  42  -0.724  -6.932   5.929
  281    HA   GLN  42           HA       GLN  42   1.355  -6.148   4.036
  282   1HB   GLN  42          1HB       GLN  42   0.950  -5.117   6.374
  283   2HB   GLN  42          2HB       GLN  42   1.618  -6.597   7.041
  284   1HG   GLN  42          1HG       GLN  42   3.467  -5.130   6.916
  285   2HG   GLN  42          2HG       GLN  42   3.680  -6.156   5.497
  286   1HE2  GLN  42          1HE2      GLN  42   4.154  -4.947   3.560
  287   2HE2  GLN  42          2HE2      GLN  42   3.561  -3.316   3.348
  288    H    VAL  43           H        VAL  43   1.439  -8.151   2.811
  289    HA   VAL  43           HA       VAL  43   2.091 -10.661   3.813
  290    HB   VAL  43           HB       VAL  43   3.518 -10.827   1.603
  291   1HG1  VAL  43          1HG1      VAL  43   1.399 -11.964   2.173
  292   2HG1  VAL  43          2HG1      VAL  43   0.510 -10.535   1.603
  293   3HG1  VAL  43          3HG1      VAL  43   1.540 -11.516   0.488
  294   1HG2  VAL  43          1HG2      VAL  43   1.694  -8.430   1.068
  295   2HG2  VAL  43          2HG2      VAL  43   3.462  -8.401   1.048
  296   3HG2  VAL  43          3HG2      VAL  43   2.586  -9.346  -0.158
  297    H    HIS  44           H        HIS  44   4.176  -7.862   2.949
  298    HA   HIS  44           HA       HIS  44   6.084  -8.379   4.999
  299   1HB   HIS  44          1HB       HIS  44   7.998  -8.700   3.521
  300   2HB   HIS  44          2HB       HIS  44   6.882 -10.024   3.343
  301    HD1  HIS  44           HD1      HIS  44   8.229  -6.991   1.392
  302    HD2  HIS  44           HD2      HIS  44   5.813 -10.421   0.916
  303    HE1  HIS  44           HE1      HIS  44   7.899  -7.324  -1.125
  304    H    GLU  45           H        GLU  45   7.776  -6.528   4.821
  305    HA   GLU  45           HA       GLU  45   6.592  -4.048   3.689
  306   1HB   GLU  45          1HB       GLU  45   7.550  -4.255   6.072
  307   2HB   GLU  45          2HB       GLU  45   9.148  -4.389   5.322
  308   1HG   GLU  45          1HG       GLU  45   8.840  -2.152   4.289
  309   2HG   GLU  45          2HG       GLU  45   7.177  -2.105   4.887
  310    H    GLY  46           H        GLY  46   8.351  -2.726   2.389
  311   1HA   GLY  46          1HA       GLY  46   9.807  -2.571   0.628
  312   2HA   GLY  46          2HA       GLY  46  10.337  -4.242   0.883
  313    HA   PRO  47           HA       PRO  47   6.858  -3.622  -2.351
  314   1HB   PRO  47          1HB       PRO  47   7.932  -2.822  -4.675
  315   2HB   PRO  47          2HB       PRO  47   7.759  -1.692  -3.304
  316   1HG   PRO  47          1HG       PRO  47  10.253  -3.251  -4.071
  317   2HG   PRO  47          2HG       PRO  47  10.102  -1.485  -3.786
  318   1HD   PRO  47          1HD       PRO  47  10.890  -3.214  -1.812
  319   2HD   PRO  47          2HD       PRO  47   9.878  -1.780  -1.462
  320    H    CYS  48           H        CYS  48   6.053  -5.074  -3.960
  321    HA   CYS  48           HA       CYS  48   7.783  -7.358  -4.707
  322   1HB   CYS  48          1HB       CYS  48   4.903  -6.672  -5.394
  323   2HB   CYS  48          2HB       CYS  48   5.783  -8.063  -6.008
  324    H    ASP  49           H        ASP  49   6.274  -4.454  -6.296
  325    HA   ASP  49           HA       ASP  49   7.379  -4.953  -8.812
  326   1HB   ASP  49          1HB       ASP  49   5.658  -3.354  -8.744
  327   2HB   ASP  49          2HB       ASP  49   6.408  -2.474  -7.412
  328    H    GLU  50           H        GLU  50   9.450  -4.730  -9.549
  329    HA   GLU  50           HA       GLU  50  11.157  -2.689  -8.629
  330   1HB   GLU  50          1HB       GLU  50  11.841  -4.396  -6.969
  331   2HB   GLU  50          2HB       GLU  50  12.023  -5.601  -8.244
  332   1HG   GLU  50          1HG       GLU  50  14.191  -4.729  -7.482
  333   2HG   GLU  50          2HG       GLU  50  13.925  -4.405  -9.187
  334    H    HIS  51           H        HIS  51  12.703  -2.370 -10.293
  335    HA   HIS  51           HA       HIS  51  12.537  -3.890 -12.788
  336   1HB   HIS  51          1HB       HIS  51  11.780  -1.744 -14.031
  337   2HB   HIS  51          2HB       HIS  51  10.583  -2.778 -13.267
  338    HD1  HIS  51           HD1      HIS  51   9.086  -1.706 -11.225
  339    HD2  HIS  51           HD2      HIS  51  12.196   0.719 -12.848
  340    HE1  HIS  51           HE1      HIS  51   8.736   0.624 -10.380
  341    H    ASP  52           H        ASP  52  13.536  -0.766 -11.206
  342    HA   ASP  52           HA       ASP  52  16.142  -1.473 -11.083
  343   1HB   ASP  52          1HB       ASP  52  17.363  -0.314 -12.635
  344   2HB   ASP  52          2HB       ASP  52  16.047  -0.811 -13.673
  345    H    HIS  53           H        HIS  53  17.391   0.436 -10.187
  346    HA   HIS  53           HA       HIS  53  15.903   2.793  -9.393
  347   1HB   HIS  53          1HB       HIS  53  16.460   2.522  -6.976
  348   2HB   HIS  53          2HB       HIS  53  15.250   1.400  -7.569
  349    HD1  HIS  53           HD1      HIS  53  15.656  -1.165  -6.955
  350    HD2  HIS  53           HD2      HIS  53  19.057   1.359  -6.622
  351    HE1  HIS  53           HE1      HIS  53  17.496  -2.535  -5.956
  352    H    ASP  54           H        ASP  54  17.904   2.444 -11.297
  353    HA   ASP  54           HA       ASP  54  20.586   2.529 -10.238
  354   1HB   ASP  54          1HB       ASP  54  19.977   1.750 -12.507
  355   2HB   ASP  54          2HB       ASP  54  19.490   3.389 -12.947
  356    H    PHE  55           H        PHE  55  18.348   5.040 -11.345
  357    HA   PHE  55           HA       PHE  55  19.987   7.179 -10.110
  358   1HB   PHE  55          2HB       PHE  55  17.952   7.264 -12.362
  359   2HB   PHE  55          1HB       PHE  55  18.305   8.671 -11.373
  360    HD1  PHE  55           HD1      PHE  55  20.129   6.069 -13.440
  361    HD2  PHE  55           HD2      PHE  55  20.048  10.124 -11.968
  362    HE1  PHE  55           HE1      PHE  55  22.120   6.585 -14.775
  363    HE2  PHE  55           HE2      PHE  55  22.046  10.655 -13.343
  364    HZ   PHE  55           HZ       PHE  55  23.091   8.888 -14.754
  Start of MODEL    5
    1   1H    PHE   1          1H        PHE   1 -15.303   6.367   5.293
    2   2H    PHE   1          2H        PHE   1 -15.033   5.400   6.602
    3   3H    PHE   1          3H        PHE   1 -14.161   6.792   6.413
    4    HA   PHE   1           HA       PHE   1 -12.708   5.105   5.787
    5   1HB   PHE   1          2HB       PHE   1 -13.461   3.540   3.920
    6   2HB   PHE   1          1HB       PHE   1 -13.940   3.188   5.555
    7    HD1  PHE   1           HD1      PHE   1 -15.049   3.909   2.181
    8    HD2  PHE   1           HD2      PHE   1 -16.452   3.772   6.258
    9    HE1  PHE   1           HE1      PHE   1 -17.379   4.165   1.399
   10    HE2  PHE   1           HE2      PHE   1 -18.787   4.047   5.464
   11    HZ   PHE   1           HZ       PHE   1 -19.256   4.247   3.031
   12    H    GLN   2           H        GLN   2 -11.617   6.897   5.051
   13    HA   GLN   2           HA       GLN   2 -10.878   6.866   2.487
   14   1HB   GLN   2          1HB       GLN   2 -13.263   8.291   2.430
   15   2HB   GLN   2          2HB       GLN   2 -12.172   9.581   2.673
   16   1HG   GLN   2          1HG       GLN   2 -11.203   7.727   0.556
   17   2HG   GLN   2          2HG       GLN   2 -12.879   8.170   0.299
   18   1HE2  GLN   2          1HE2      GLN   2 -11.907   9.073  -1.736
   19   2HE2  GLN   2          2HE2      GLN   2 -11.267  10.715  -1.646
   20    H    GLY   3           H        GLY   3 -11.502   9.671   4.601
   21   1HA   GLY   3          1HA       GLY   3  -8.671  10.278   4.862
   22   2HA   GLY   3          2HA       GLY   3 -10.052  11.225   5.440
   23    H    ASN   4           H        ASN   4 -10.951   8.630   6.924
   24    HA   ASN   4           HA       ASN   4  -9.473   8.934   9.416
   25   1HB   ASN   4          1HB       ASN   4 -11.830   7.385   8.488
   26   2HB   ASN   4          2HB       ASN   4 -10.780   6.463   9.542
   27   1HD2  ASN   4          1HD2      ASN   4 -13.417   8.652   9.619
   28   2HD2  ASN   4          2HD2      ASN   4 -13.178   9.071  11.303
   29    HA   PRO   5           HA       PRO   5  -7.071   4.975   7.899
   30   1HB   PRO   5          1HB       PRO   5  -7.475   4.110   5.350
   31   2HB   PRO   5          2HB       PRO   5  -8.371   3.503   6.762
   32   1HG   PRO   5          1HG       PRO   5  -9.216   5.384   4.608
   33   2HG   PRO   5          2HG       PRO   5 -10.187   4.204   5.525
   34   1HD   PRO   5          1HD       PRO   5  -9.979   6.981   5.993
   35   2HD   PRO   5          2HD       PRO   5 -10.689   5.807   7.118
   36    H    CYS   6           H        CYS   6  -7.586   7.204   4.885
   37    HA   CYS   6           HA       CYS   6  -4.652   6.929   4.747
   38   1HB   CYS   6          1HB       CYS   6  -6.699   6.944   2.757
   39   2HB   CYS   6          2HB       CYS   6  -5.586   8.278   2.477
   40    H    GLU   7           H        GLU   7  -3.946   8.136   6.293
   41    HA   GLU   7           HA       GLU   7  -4.127  11.081   5.839
   42   1HB   GLU   7          1HB       GLU   7  -4.206  11.320   8.294
   43   2HB   GLU   7          2HB       GLU   7  -5.566  10.449   7.612
   44   1HG   GLU   7          1HG       GLU   7  -5.216   8.680   8.937
   45   2HG   GLU   7          2HG       GLU   7  -3.590   8.465   8.320
   46    H    CYS   8           H        CYS   8  -1.964   8.679   5.649
   47    HA   CYS   8           HA       CYS   8   0.262   9.713   7.178
   48   1HB   CYS   8          1HB       CYS   8  -0.471   7.324   5.757
   49   2HB   CYS   8          2HB       CYS   8   1.059   7.853   5.097
   50    HA   PRO   9           HA       PRO   9   2.172  12.409   4.293
   51   1HB   PRO   9          1HB       PRO   9   4.903  11.954   4.599
   52   2HB   PRO   9          2HB       PRO   9   3.888  12.807   5.793
   53   1HG   PRO   9          1HG       PRO   9   5.033  10.050   5.948
   54   2HG   PRO   9          2HG       PRO   9   4.439  11.107   7.262
   55   1HD   PRO   9          1HD       PRO   9   3.118   8.935   5.964
   56   2HD   PRO   9          2HD       PRO   9   2.507   9.932   7.309
   57    H    ARG  10           H        ARG  10   3.531  12.589   2.296
   58    HA   ARG  10           HA       ARG  10   3.544  10.255   0.553
   59   1HB   ARG  10          1HB       ARG  10   4.698  13.064   0.102
   60   2HB   ARG  10          2HB       ARG  10   4.655  11.748  -1.063
   61   1HG   ARG  10          1HG       ARG  10   2.876  12.867  -1.791
   62   2HG   ARG  10          2HG       ARG  10   2.070  11.742  -0.725
   63   1HD   ARG  10          1HD       ARG  10   1.211  13.431   0.533
   64   2HD   ARG  10          2HD       ARG  10   2.784  14.234   0.688
   65    HE   ARG  10           HE       ARG  10   1.815  14.587  -1.951
   66   1HH1  ARG  10          2HH2      ARG  10   1.016  15.775   1.294
   67   2HH1  ARG  10          1HH2      ARG  10   0.450  17.312   0.733
   68   1HH2  ARG  10          2HH1      ARG  10   1.057  16.614  -2.683
   69   2HH2  ARG  10          1HH1      ARG  10   0.463  17.779  -1.565
   70    H    ALA  11           H        ALA  11   4.959   9.491   2.757
   71    HA   ALA  11           HA       ALA  11   7.719   9.567   2.306
   72   1HB   ALA  11          1HB       ALA  11   6.086   7.438   3.732
   73   2HB   ALA  11          2HB       ALA  11   7.823   7.817   3.948
   74   3HB   ALA  11          3HB       ALA  11   6.588   8.977   4.491
   75    H    LEU  12           H        LEU  12   8.646   8.658   0.565
   76    HA   LEU  12           HA       LEU  12   7.388   6.705  -1.199
   77   1HB   LEU  12          1HB       LEU  12   9.984   8.258  -0.935
   78   2HB   LEU  12          2HB       LEU  12   9.974   6.918  -2.027
   79    HG   LEU  12           HG       LEU  12   9.547   9.203  -2.950
   80   1HD1  LEU  12          1HD1      LEU  12   8.046   8.234  -4.714
   81   2HD1  LEU  12          2HD1      LEU  12   9.327   7.120  -4.230
   82   3HD1  LEU  12          3HD1      LEU  12   7.676   6.879  -3.623
   83   1HD2  LEU  12          1HD2      LEU  12   7.251   9.968  -3.211
   84   2HD2  LEU  12          2HD2      LEU  12   6.684   8.767  -2.029
   85   3HD2  LEU  12          3HD2      LEU  12   7.792  10.077  -1.540
   86    H    HIS  13           H        HIS  13   7.413   5.570   1.300
   87    HA   HIS  13           HA       HIS  13   9.693   3.672   1.564
   88   1HB   HIS  13          1HB       HIS  13   7.211   4.322   3.211
   89   2HB   HIS  13          2HB       HIS  13   7.990   2.762   3.391
   90    HD1  HIS  13           HD1      HIS  13   8.179   5.928   5.042
   91    HD2  HIS  13           HD2      HIS  13  10.847   2.941   3.754
   92    HE1  HIS  13           HE1      HIS  13  10.353   6.268   6.356
   93    H    ARG  14           H        ARG  14   9.079   3.049  -0.865
   94    HA   ARG  14           HA       ARG  14   6.517   1.945  -1.444
   95   1HB   ARG  14          1HB       ARG  14   9.224   1.431  -2.763
   96   2HB   ARG  14          2HB       ARG  14   7.732   0.692  -3.326
   97   1HG   ARG  14          1HG       ARG  14   6.699   2.932  -3.621
   98   2HG   ARG  14          2HG       ARG  14   8.230   3.682  -3.138
   99   1HD   ARG  14          1HD       ARG  14   8.058   3.698  -5.560
  100   2HD   ARG  14          2HD       ARG  14   9.353   2.590  -5.098
  101    HE   ARG  14           HE       ARG  14   7.042   1.037  -5.301
  102   1HH1  ARG  14          2HH2      ARG  14   9.061   2.959  -7.517
  103   2HH1  ARG  14          1HH2      ARG  14   8.579   2.099  -8.934
  104   1HH2  ARG  14          2HH1      ARG  14   6.451  -0.147  -7.243
  105   2HH2  ARG  14          1HH1      ARG  14   7.120   0.294  -8.759
  106    H    VAL  15           H        VAL  15   5.507  -0.074  -1.320
  107    HA   VAL  15           HA       VAL  15   7.055  -2.317  -0.106
  108    HB   VAL  15           HB       VAL  15   5.531  -2.685   1.592
  109   1HG1  VAL  15          1HG1      VAL  15   7.006  -0.626   1.896
  110   2HG1  VAL  15          2HG1      VAL  15   5.522   0.312   1.532
  111   3HG1  VAL  15          3HG1      VAL  15   5.573  -0.746   2.934
  112   1HG2  VAL  15          1HG2      VAL  15   3.309  -2.259   0.495
  113   2HG2  VAL  15          2HG2      VAL  15   3.455  -1.537   2.070
  114   3HG2  VAL  15          3HG2      VAL  15   3.622  -0.504   0.637
  115    H    CYS  16           H        CYS  16   5.778  -4.387  -0.084
  116    HA   CYS  16           HA       CYS  16   3.930  -4.541  -2.397
  117   1HB   CYS  16          1HB       CYS  16   5.998  -5.791  -2.464
  118   2HB   CYS  16          2HB       CYS  16   5.688  -6.533  -0.926
  119    H    GLY  17           H        GLY  17   1.838  -5.290  -2.209
  120   1HA   GLY  17          1HA       GLY  17   0.825  -6.232   0.416
  121   2HA   GLY  17          2HA       GLY  17  -0.163  -5.778  -0.968
  122    H    SER  18           H        SER  18  -0.435  -8.202   0.339
  123    HA   SER  18           HA       SER  18   0.616 -10.477  -0.339
  124   1HB   SER  18          1HB       SER  18  -1.170 -11.271   0.641
  125   2HB   SER  18          2HB       SER  18  -1.848  -9.671   0.590
  126    HG   SER  18           HG       SER  18  -2.905 -10.554  -1.621
  127    H    ASP  19           H        ASP  19  -1.337  -8.850  -2.709
  128    HA   ASP  19           HA       ASP  19  -1.195 -11.028  -4.606
  129   1HB   ASP  19          1HB       ASP  19  -2.388  -8.262  -4.401
  130   2HB   ASP  19          2HB       ASP  19  -2.587  -9.258  -5.854
  131    H    GLY  20           H        GLY  20   1.351  -9.355  -3.730
  132   1HA   GLY  20          1HA       GLY  20   3.315  -8.711  -5.000
  133   2HA   GLY  20          2HA       GLY  20   2.374  -8.884  -6.480
  134    H    ASN  21           H        ASN  21   0.360  -7.227  -4.527
  135    HA   ASN  21           HA       ASN  21   0.327  -5.120  -6.333
  136   1HB   ASN  21          1HB       ASN  21  -1.574  -6.172  -4.932
  137   2HB   ASN  21          2HB       ASN  21  -1.135  -5.017  -3.673
  138   1HD2  ASN  21          1HD2      ASN  21  -3.422  -5.433  -5.907
  139   2HD2  ASN  21          2HD2      ASN  21  -3.550  -3.813  -6.568
  140    H    THR  22           H        THR  22   2.338  -3.921  -6.296
  141    HA   THR  22           HA       THR  22   3.520  -3.146  -3.909
  142    HB   THR  22           HB       THR  22   3.869  -1.629  -6.482
  143    HG1  THR  22           HG1      THR  22   4.253  -3.877  -6.737
  144   1HG2  THR  22          1HG2      THR  22   6.155  -1.205  -5.545
  145   2HG2  THR  22          2HG2      THR  22   4.922  -0.506  -4.484
  146   3HG2  THR  22          3HG2      THR  22   5.695  -2.032  -4.059
  147    H    TYR  23           H        TYR  23   3.354  -1.198  -2.668
  148    HA   TYR  23           HA       TYR  23   1.420   0.910  -3.452
  149   1HB   TYR  23          1HB       TYR  23   1.828  -0.497  -0.765
  150   2HB   TYR  23          2HB       TYR  23   1.163   1.107  -0.862
  151    HD1  TYR  23           HD1      TYR  23  -1.020   1.553  -1.881
  152    HD2  TYR  23           HD2      TYR  23   0.460  -2.455  -1.347
  153    HE1  TYR  23           HE1      TYR  23  -3.349   0.697  -1.935
  154    HE2  TYR  23           HE2      TYR  23  -1.870  -3.328  -1.386
  155    HH   TYR  23           HH       TYR  23  -4.600  -1.242  -2.310
  156    H    SER  24           H        SER  24   1.978   2.963  -2.741
  157    HA   SER  24           HA       SER  24   4.658   3.651  -2.942
  158   1HB   SER  24          1HB       SER  24   3.962   5.926  -2.544
  159   2HB   SER  24          2HB       SER  24   2.755   5.104  -3.541
  160    HG   SER  24           HG       SER  24   1.487   5.953  -2.064
  161    H    ASN  25           H        ASN  25   2.751   2.997  -0.045
  162    HA   ASN  25           HA       ASN  25   5.021   2.798   1.671
  163   1HB   ASN  25          1HB       ASN  25   4.232   4.450   3.353
  164   2HB   ASN  25          2HB       ASN  25   4.941   5.099   1.891
  165   1HD2  ASN  25          1HD2      ASN  25   4.067   7.098   1.939
  166   2HD2  ASN  25          2HD2      ASN  25   2.344   7.458   2.032
  167    HA   PRO  26           HA       PRO  26   2.299  -0.164   3.206
  168   1HB   PRO  26          1HB       PRO  26   3.087  -0.551   5.840
  169   2HB   PRO  26          2HB       PRO  26   4.034  -1.098   4.432
  170   1HG   PRO  26          1HG       PRO  26   4.445   1.323   6.153
  171   2HG   PRO  26          2HG       PRO  26   5.683   0.284   5.416
  172   1HD   PRO  26          1HD       PRO  26   4.851   2.758   4.463
  173   2HD   PRO  26          2HD       PRO  26   5.629   1.528   3.454
  174    H    CYS  27           H        CYS  27   2.530   2.827   4.938
  175    HA   CYS  27           HA       CYS  27   0.271   2.758   6.587
  176   1HB   CYS  27          1HB       CYS  27   2.246   4.506   6.207
  177   2HB   CYS  27          2HB       CYS  27   1.111   5.284   5.148
  178    H    MET  28           H        MET  28   0.515   3.725   3.072
  179    HA   MET  28           HA       MET  28  -2.312   4.154   2.856
  180   1HB   MET  28          1HB       MET  28  -0.162   3.692   0.786
  181   2HB   MET  28          2HB       MET  28  -1.857   3.626   0.387
  182   1HG   MET  28          1HG       MET  28  -1.514   6.000   1.932
  183   2HG   MET  28          2HG       MET  28  -0.167   5.956   0.815
  184   1HE   MET  28          1HE       MET  28  -0.599   5.628  -1.917
  185   2HE   MET  28          2HE       MET  28  -1.867   4.376  -1.729
  186   3HE   MET  28          3HE       MET  28  -2.203   5.846  -2.675
  187    H    LEU  29           H        LEU  29  -0.477   1.159   2.736
  188    HA   LEU  29           HA       LEU  29  -2.500  -0.418   1.424
  189   1HB   LEU  29          1HB       LEU  29  -0.398  -1.260   1.403
  190   2HB   LEU  29          2HB       LEU  29  -0.106  -1.111   3.132
  191    HG   LEU  29           HG       LEU  29  -1.872  -3.040   1.971
  192   1HD1  LEU  29          1HD1      LEU  29   0.094  -4.707   2.250
  193   2HD1  LEU  29          2HD1      LEU  29   0.042  -3.644   0.859
  194   3HD1  LEU  29          3HD1      LEU  29   1.115  -3.249   2.225
  195   1HD2  LEU  29          1HD2      LEU  29  -2.371  -3.265   4.197
  196   2HD2  LEU  29          2HD2      LEU  29  -0.989  -4.336   4.149
  197   3HD2  LEU  29          3HD2      LEU  29  -0.757  -2.674   4.723
  198    H    THR  30           H        THR  30  -1.484  -0.492   4.845
  199    HA   THR  30           HA       THR  30  -3.884  -1.616   5.768
  200    HB   THR  30           HB       THR  30  -1.821  -1.115   7.131
  201    HG1  THR  30           HG1      THR  30  -3.630  -2.136   8.039
  202   1HG2  THR  30          1HG2      THR  30  -1.789   0.814   8.492
  203   2HG2  THR  30          2HG2      THR  30  -1.886   1.294   6.789
  204   3HG2  THR  30          3HG2      THR  30  -3.350   1.381   7.828
  205    H    CYS  31           H        CYS  31  -3.458   1.914   4.937
  206    HA   CYS  31           HA       CYS  31  -5.774   2.694   6.057
  207   1HB   CYS  31          1HB       CYS  31  -5.155   4.700   5.039
  208   2HB   CYS  31          2HB       CYS  31  -3.836   3.832   4.412
  209    H    ALA  32           H        ALA  32  -5.170   1.781   2.686
  210    HA   ALA  32           HA       ALA  32  -7.615   1.540   1.487
  211   1HB   ALA  32          1HB       ALA  32  -5.399   1.093   0.427
  212   2HB   ALA  32          2HB       ALA  32  -5.395  -0.479   1.229
  213   3HB   ALA  32          3HB       ALA  32  -6.665  -0.119   0.055
  214    H    LYS  33           H        LYS  33  -5.985  -0.811   3.495
  215    HA   LYS  33           HA       LYS  33  -7.797  -2.948   3.227
  216   1HB   LYS  33          1HB       LYS  33  -5.422  -2.857   4.285
  217   2HB   LYS  33          2HB       LYS  33  -6.249  -2.468   5.800
  218   1HG   LYS  33          1HG       LYS  33  -7.657  -4.511   5.550
  219   2HG   LYS  33          2HG       LYS  33  -6.842  -4.877   4.006
  220   1HD   LYS  33          1HD       LYS  33  -4.850  -5.434   4.936
  221   2HD   LYS  33          2HD       LYS  33  -5.092  -4.545   6.374
  222   1HE   LYS  33          1HE       LYS  33  -6.932  -6.830   5.646
  223   2HE   LYS  33          2HE       LYS  33  -5.361  -7.174   6.361
  224   1HZ   LYS  33          1HZ       LYS  33  -6.016  -5.717   8.242
  225   2HZ   LYS  33          2HZ       LYS  33  -7.531  -5.574   7.596
  226   3HZ   LYS  33          3HZ       LYS  33  -6.988  -7.040   8.114
  227    H    HIS  34           H        HIS  34  -7.584  -0.702   5.970
  228    HA   HIS  34           HA       HIS  34 -10.213  -1.324   7.035
  229   1HB   HIS  34          1HB       HIS  34  -7.959   0.469   7.709
  230   2HB   HIS  34          2HB       HIS  34  -9.516   1.210   7.989
  231    HD1  HIS  34           HD1      HIS  34 -10.893   0.325  10.075
  232    HD2  HIS  34           HD2      HIS  34  -7.445  -1.887   9.110
  233    HE1  HIS  34           HE1      HIS  34 -10.466  -1.266  12.036
  234    H    GLU  35           H        GLU  35  -9.254   0.702   4.362
  235    HA   GLU  35           HA       GLU  35 -11.549   2.453   4.583
  236   1HB   GLU  35          1HB       GLU  35  -9.274   2.906   3.446
  237   2HB   GLU  35          2HB       GLU  35  -9.901   2.068   2.044
  238   1HG   GLU  35          1HG       GLU  35 -11.526   4.265   3.259
  239   2HG   GLU  35          2HG       GLU  35 -10.047   4.727   2.488
  240    H    GLY  36           H        GLY  36 -10.634  -0.133   2.312
  241   1HA   GLY  36          1HA       GLY  36 -13.302  -1.273   2.158
  242   2HA   GLY  36          2HA       GLY  36 -12.901  -0.240   0.790
  243    H    ASN  37           H        ASN  37 -10.502  -2.319   2.549
  244    HA   ASN  37           HA       ASN  37 -10.500  -4.198   0.212
  245   1HB   ASN  37          1HB       ASN  37  -8.643  -2.141   0.260
  246   2HB   ASN  37          2HB       ASN  37  -7.809  -3.270   1.228
  247   1HD2  ASN  37          1HD2      ASN  37  -6.408  -2.785  -0.892
  248   2HD2  ASN  37          2HD2      ASN  37  -6.629  -4.048  -2.098
  249    HA   PRO  38           HA       PRO  38 -10.169  -5.867   4.517
  250   1HB   PRO  38          1HB       PRO  38 -12.227  -7.739   4.491
  251   2HB   PRO  38          2HB       PRO  38 -12.385  -6.028   4.988
  252   1HG   PRO  38          1HG       PRO  38 -13.155  -7.290   2.359
  253   2HG   PRO  38          2HG       PRO  38 -13.985  -6.008   3.290
  254   1HD   PRO  38          1HD       PRO  38 -12.357  -5.508   1.103
  255   2HD   PRO  38          2HD       PRO  38 -12.609  -4.349   2.424
  256    H    ASP  39           H        ASP  39 -10.051  -7.277   1.429
  257    HA   ASP  39           HA       ASP  39  -9.017  -9.913   2.035
  258   1HB   ASP  39          1HB       ASP  39 -10.114  -8.481  -0.134
  259   2HB   ASP  39          2HB       ASP  39  -8.440  -8.635  -0.585
  260    H    LEU  40           H        LEU  40  -7.634  -6.670   1.870
  261    HA   LEU  40           HA       LEU  40  -5.033  -7.500   0.776
  262   1HB   LEU  40          1HB       LEU  40  -5.597  -5.289   0.148
  263   2HB   LEU  40          2HB       LEU  40  -6.441  -4.973   1.650
  264    HG   LEU  40           HG       LEU  40  -4.464  -4.772   2.875
  265   1HD1  LEU  40          1HD1      LEU  40  -2.678  -4.356   0.544
  266   2HD1  LEU  40          2HD1      LEU  40  -2.387  -5.090   2.184
  267   3HD1  LEU  40          3HD1      LEU  40  -3.097  -6.026   0.858
  268   1HD2  LEU  40          1HD2      LEU  40  -3.859  -2.653   2.291
  269   2HD2  LEU  40          2HD2      LEU  40  -4.209  -2.824   0.569
  270   3HD2  LEU  40          3HD2      LEU  40  -5.517  -2.777   1.760
  271    H    VAL  41           H        VAL  41  -3.124  -7.492   2.122
  272    HA   VAL  41           HA       VAL  41  -3.552  -7.457   5.016
  273    HB   VAL  41           HB       VAL  41  -2.507  -9.638   5.275
  274   1HG1  VAL  41          1HG1      VAL  41  -4.938 -10.000   3.511
  275   2HG1  VAL  41          2HG1      VAL  41  -4.351 -11.066   4.784
  276   3HG1  VAL  41          3HG1      VAL  41  -5.020  -9.467   5.217
  277   1HG2  VAL  41          1HG2      VAL  41  -2.911 -10.075   2.305
  278   2HG2  VAL  41          2HG2      VAL  41  -1.319  -9.874   3.125
  279   3HG2  VAL  41          3HG2      VAL  41  -2.326 -11.268   3.475
  280    H    GLN  42           H        GLN  42  -1.646  -6.873   6.092
  281    HA   GLN  42           HA       GLN  42   0.605  -5.892   4.514
  282   1HB   GLN  42          1HB       GLN  42  -0.265  -4.775   6.624
  283   2HB   GLN  42          2HB       GLN  42   0.352  -6.135   7.533
  284   1HG   GLN  42          1HG       GLN  42   2.200  -4.746   7.683
  285   2HG   GLN  42          2HG       GLN  42   2.638  -5.558   6.197
  286   1HE2  GLN  42          1HE2      GLN  42   2.810  -4.237   4.231
  287   2HE2  GLN  42          2HE2      GLN  42   2.309  -2.552   4.271
  288    H    VAL  43           H        VAL  43   1.156  -7.818   3.445
  289    HA   VAL  43           HA       VAL  43   2.014 -10.178   4.616
  290    HB   VAL  43           HB       VAL  43   3.530 -10.230   2.455
  291   1HG1  VAL  43          1HG1      VAL  43   0.549 -10.186   1.930
  292   2HG1  VAL  43          2HG1      VAL  43   1.842 -11.133   1.143
  293   3HG1  VAL  43          3HG1      VAL  43   1.341 -11.531   2.777
  294   1HG2  VAL  43          1HG2      VAL  43   1.524  -8.028   1.719
  295   2HG2  VAL  43          2HG2      VAL  43   3.295  -7.867   1.776
  296   3HG2  VAL  43          3HG2      VAL  43   2.539  -8.932   0.587
  297    H    HIS  44           H        HIS  44   3.824  -7.192   3.787
  298    HA   HIS  44           HA       HIS  44   5.548  -7.013   5.971
  299   1HB   HIS  44          1HB       HIS  44   6.696  -8.917   5.424
  300   2HB   HIS  44          2HB       HIS  44   6.553  -8.681   3.680
  301    HD1  HIS  44           HD1      HIS  44   8.576  -6.878   6.571
  302    HD2  HIS  44           HD2      HIS  44   8.827  -8.233   2.580
  303    HE1  HIS  44           HE1      HIS  44  10.924  -6.315   5.728
  304    H    GLU  45           H        GLU  45   7.644  -5.676   4.762
  305    HA   GLU  45           HA       GLU  45   6.484  -3.340   3.398
  306   1HB   GLU  45          1HB       GLU  45   8.518  -3.747   5.473
  307   2HB   GLU  45          2HB       GLU  45   9.295  -3.068   4.080
  308   1HG   GLU  45          1HG       GLU  45   6.994  -1.497   4.315
  309   2HG   GLU  45          2HG       GLU  45   7.391  -1.827   5.981
  310    H    GLY  46           H        GLY  46   8.843  -2.616   1.957
  311   1HA   GLY  46          1HA       GLY  46  10.393  -3.152   0.349
  312   2HA   GLY  46          2HA       GLY  46  10.164  -4.849   0.738
  313    HA   PRO  47           HA       PRO  47   7.313  -3.546  -2.886
  314   1HB   PRO  47          1HB       PRO  47   8.562  -2.443  -5.028
  315   2HB   PRO  47          2HB       PRO  47   7.994  -1.508  -3.617
  316   1HG   PRO  47          1HG       PRO  47  10.810  -2.380  -4.241
  317   2HG   PRO  47          2HG       PRO  47  10.224  -0.840  -3.548
  318   1HD   PRO  47          1HD       PRO  47  11.232  -3.011  -2.062
  319   2HD   PRO  47          2HD       PRO  47  10.220  -1.716  -1.400
  320    H    CYS  48           H        CYS  48   6.642  -5.055  -4.144
  321    HA   CYS  48           HA       CYS  48   8.410  -7.298  -4.782
  322   1HB   CYS  48          1HB       CYS  48   5.475  -6.761  -5.197
  323   2HB   CYS  48          2HB       CYS  48   6.275  -8.103  -6.007
  324    H    ASP  49           H        ASP  49   6.764  -4.722  -6.798
  325    HA   ASP  49           HA       ASP  49   7.781  -5.729  -9.198
  326   1HB   ASP  49          1HB       ASP  49   5.696  -4.445  -8.846
  327   2HB   ASP  49          2HB       ASP  49   6.680  -2.992  -8.537
  328    H    GLU  50           H        GLU  50   9.800  -5.349  -9.993
  329    HA   GLU  50           HA       GLU  50  11.320  -2.924  -9.317
  330   1HB   GLU  50          1HB       GLU  50  11.792  -4.524  -7.433
  331   2HB   GLU  50          2HB       GLU  50  12.549  -5.625  -8.569
  332   1HG   GLU  50          1HG       GLU  50  14.456  -4.373  -8.684
  333   2HG   GLU  50          2HG       GLU  50  13.580  -2.853  -8.804
  334    H    HIS  51           H        HIS  51  11.086  -2.513 -11.523
  335    HA   HIS  51           HA       HIS  51  13.306  -3.342 -13.107
  336   1HB   HIS  51          1HB       HIS  51  10.777  -4.713 -13.685
  337   2HB   HIS  51          2HB       HIS  51  11.287  -3.737 -15.040
  338    HD1  HIS  51           HD1      HIS  51  13.032  -6.180 -12.688
  339    HD2  HIS  51           HD2      HIS  51  12.982  -4.868 -16.683
  340    HE1  HIS  51           HE1      HIS  51  14.620  -7.755 -14.024
  341    H    ASP  52           H        ASP  52  13.729  -1.075 -12.746
  342    HA   ASP  52           HA       ASP  52  12.126   1.013 -13.659
  343   1HB   ASP  52          1HB       ASP  52  14.351   2.233 -13.645
  344   2HB   ASP  52          2HB       ASP  52  13.756   1.596 -12.113
  345    H    HIS  53           H        HIS  53  11.525   1.282 -15.670
  346    HA   HIS  53           HA       HIS  53  13.213   0.403 -17.956
  347   1HB   HIS  53          1HB       HIS  53  10.226   0.744 -17.552
  348   2HB   HIS  53          2HB       HIS  53  10.926   0.762 -19.158
  349    HD1  HIS  53           HD1      HIS  53  10.800  -1.707 -16.158
  350    HD2  HIS  53           HD2      HIS  53  11.356  -1.475 -20.343
  351    HE1  HIS  53           HE1      HIS  53  10.739  -4.116 -17.083
  352    H    ASP  54           H        ASP  54  14.224   2.692 -16.717
  353    HA   ASP  54           HA       ASP  54  14.080   4.365 -18.977
  354   1HB   ASP  54          1HB       ASP  54  12.340   5.208 -16.957
  355   2HB   ASP  54          2HB       ASP  54  13.795   6.103 -16.568
  356    H    PHE  55           H        PHE  55  15.713   6.351 -18.361
  357    HA   PHE  55           HA       PHE  55  18.091   5.186 -17.010
  358   1HB   PHE  55          2HB       PHE  55  17.885   6.570 -19.598
  359   2HB   PHE  55          1HB       PHE  55  18.996   7.363 -18.521
  360    HD1  PHE  55           HD1      PHE  55  20.700   5.791 -17.231
  361    HD2  PHE  55           HD2      PHE  55  18.708   4.780 -20.911
  362    HE1  PHE  55           HE1      PHE  55  22.518   4.170 -17.771
  363    HE2  PHE  55           HE2      PHE  55  20.516   3.166 -21.458
  364    HZ   PHE  55           HZ       PHE  55  22.413   2.851 -19.879
  Start of MODEL    6
    1   1H    PHE   1          1H        PHE   1 -15.951   5.075   3.754
    2   2H    PHE   1          2H        PHE   1 -15.250   6.587   3.837
    3   3H    PHE   1          3H        PHE   1 -15.449   5.865   2.382
    4    HA   PHE   1           HA       PHE   1 -13.575   4.953   4.454
    5   1HB   PHE   1          2HB       PHE   1 -13.340   3.651   1.884
    6   2HB   PHE   1          1HB       PHE   1 -13.392   3.061   3.531
    7    HD1  PHE   1           HD1      PHE   1 -15.279   3.540   0.451
    8    HD2  PHE   1           HD2      PHE   1 -15.509   2.422   4.619
    9    HE1  PHE   1           HE1      PHE   1 -17.551   2.686   0.092
   10    HE2  PHE   1           HE2      PHE   1 -17.793   1.589   4.267
   11    HZ   PHE   1           HZ       PHE   1 -18.834   1.694   1.994
   12    H    GLN   2           H        GLN   2 -12.270   6.869   4.458
   13    HA   GLN   2           HA       GLN   2 -10.482   7.111   2.457
   14   1HB   GLN   2          1HB       GLN   2 -12.726   8.382   1.454
   15   2HB   GLN   2          2HB       GLN   2 -11.981   9.715   2.264
   16   1HG   GLN   2          1HG       GLN   2 -10.177   9.736   0.772
   17   2HG   GLN   2          2HG       GLN   2 -10.215   7.986   0.519
   18   1HE2  GLN   2          1HE2      GLN   2 -11.624   7.022  -1.026
   19   2HE2  GLN   2          2HE2      GLN   2 -12.434   8.054  -2.209
   20    H    GLY   3           H        GLY   3 -12.279   9.206   4.576
   21   1HA   GLY   3          1HA       GLY   3  -9.881  10.588   5.682
   22   2HA   GLY   3          2HA       GLY   3 -11.572  11.063   5.889
   23    H    ASN   4           H        ASN   4  -9.374   8.434   6.660
   24    HA   ASN   4           HA       ASN   4  -9.719   8.295   9.430
   25   1HB   ASN   4          1HB       ASN   4 -11.950   6.970   8.029
   26   2HB   ASN   4          2HB       ASN   4 -10.978   5.779   8.881
   27   1HD2  ASN   4          1HD2      ASN   4 -13.254   5.523   9.812
   28   2HD2  ASN   4          2HD2      ASN   4 -13.474   6.466  11.277
   29    HA   PRO   5           HA       PRO   5  -7.462   4.350   8.027
   30   1HB   PRO   5          1HB       PRO   5  -7.532   3.776   5.362
   31   2HB   PRO   5          2HB       PRO   5  -8.606   3.025   6.592
   32   1HG   PRO   5          1HG       PRO   5  -9.124   4.996   4.430
   33   2HG   PRO   5          2HG       PRO   5 -10.313   3.963   5.269
   34   1HD   PRO   5          1HD       PRO   5  -9.726   6.643   5.636
   35   2HD   PRO   5          2HD       PRO   5 -10.801   5.611   6.655
   36    H    CYS   6           H        CYS   6  -7.466   6.529   5.125
   37    HA   CYS   6           HA       CYS   6  -4.520   6.566   5.026
   38   1HB   CYS   6          1HB       CYS   6  -6.685   7.710   3.272
   39   2HB   CYS   6          2HB       CYS   6  -5.070   8.407   3.245
   40    H    GLU   7           H        GLU   7  -3.345   8.052   5.794
   41    HA   GLU   7           HA       GLU   7  -3.780  10.776   6.269
   42   1HB   GLU   7          1HB       GLU   7  -5.103   9.068   8.241
   43   2HB   GLU   7          2HB       GLU   7  -3.880  10.048   9.027
   44   1HG   GLU   7          1HG       GLU   7  -4.814  12.073   8.386
   45   2HG   GLU   7          2HG       GLU   7  -5.688  11.395   7.024
   46    H    CYS   8           H        CYS   8  -1.696   9.245   5.209
   47    HA   CYS   8           HA       CYS   8   0.398   9.703   7.270
   48   1HB   CYS   8          1HB       CYS   8  -0.224   7.299   5.819
   49   2HB   CYS   8          2HB       CYS   8   1.386   7.870   5.354
   50    HA   PRO   9           HA       PRO   9   2.312  12.418   4.551
   51   1HB   PRO   9          1HB       PRO   9   5.030  11.825   4.808
   52   2HB   PRO   9          2HB       PRO   9   4.030  12.750   5.976
   53   1HG   PRO   9          1HG       PRO   9   5.066   9.971   6.219
   54   2HG   PRO   9          2HG       PRO   9   4.542  11.118   7.488
   55   1HD   PRO   9          1HD       PRO   9   3.128   8.961   6.308
   56   2HD   PRO   9          2HD       PRO   9   2.524  10.116   7.538
   57    H    ARG  10           H        ARG  10   3.990  12.504   2.673
   58    HA   ARG  10           HA       ARG  10   3.502  10.349   0.697
   59   1HB   ARG  10          1HB       ARG  10   4.652  13.151   0.691
   60   2HB   ARG  10          2HB       ARG  10   4.939  12.099  -0.695
   61   1HG   ARG  10          1HG       ARG  10   2.115  12.672   0.301
   62   2HG   ARG  10          2HG       ARG  10   2.994  13.684  -0.855
   63   1HD   ARG  10          1HD       ARG  10   3.442  11.209  -1.966
   64   2HD   ARG  10          2HD       ARG  10   1.866  10.925  -1.200
   65    HE   ARG  10           HE       ARG  10   1.938  13.398  -2.640
   66   1HH1  ARG  10          2HH2      ARG  10   1.825   9.923  -3.251
   67   2HH1  ARG  10          1HH2      ARG  10   1.041  10.027  -4.782
   68   1HH2  ARG  10          2HH1      ARG  10   0.899  13.607  -4.687
   69   2HH2  ARG  10          1HH1      ARG  10   0.501  12.215  -5.624
   70    H    ALA  11           H        ALA  11   4.883   9.378   2.857
   71    HA   ALA  11           HA       ALA  11   7.644   9.314   2.404
   72   1HB   ALA  11          1HB       ALA  11   6.987   8.771   4.573
   73   2HB   ALA  11          2HB       ALA  11   5.661   7.715   4.027
   74   3HB   ALA  11          3HB       ALA  11   7.332   7.180   3.894
   75    H    LEU  12           H        LEU  12   8.664   8.363   0.750
   76    HA   LEU  12           HA       LEU  12   7.298   6.557  -1.100
   77   1HB   LEU  12          1HB       LEU  12   9.904   8.029  -0.959
   78   2HB   LEU  12          2HB       LEU  12   9.830   6.678  -2.003
   79    HG   LEU  12           HG       LEU  12   9.327   9.072  -2.808
   80   1HD1  LEU  12          1HD1      LEU  12   8.584   8.221  -4.822
   81   2HD1  LEU  12          2HD1      LEU  12   9.064   6.689  -4.080
   82   3HD1  LEU  12          3HD1      LEU  12   7.366   7.176  -4.085
   83   1HD2  LEU  12          1HD2      LEU  12   6.438   8.320  -2.299
   84   2HD2  LEU  12          2HD2      LEU  12   7.382   9.429  -1.294
   85   3HD2  LEU  12          3HD2      LEU  12   7.076   9.817  -2.988
   86    H    HIS  13           H        HIS  13   6.994   5.188   0.860
   87    HA   HIS  13           HA       HIS  13   9.290   3.326   1.425
   88   1HB   HIS  13          1HB       HIS  13   6.691   3.849   2.883
   89   2HB   HIS  13          2HB       HIS  13   7.736   2.443   3.202
   90    HD1  HIS  13           HD1      HIS  13   9.037   5.953   2.584
   91    HD2  HIS  13           HD2      HIS  13   8.601   3.014   5.535
   92    HE1  HIS  13           HE1      HIS  13  10.299   6.841   4.659
   93    H    ARG  14           H        ARG  14   8.706   3.095  -1.036
   94    HA   ARG  14           HA       ARG  14   6.448   1.719  -1.926
   95   1HB   ARG  14          1HB       ARG  14   9.320   1.461  -2.784
   96   2HB   ARG  14          2HB       ARG  14   8.004   0.728  -3.683
   97   1HG   ARG  14          1HG       ARG  14   8.167   3.713  -3.094
   98   2HG   ARG  14          2HG       ARG  14   8.813   2.970  -4.540
   99   1HD   ARG  14          1HD       ARG  14   5.912   2.779  -3.658
  100   2HD   ARG  14          2HD       ARG  14   6.489   4.008  -4.761
  101    HE   ARG  14           HE       ARG  14   5.800   1.264  -5.301
  102   1HH1  ARG  14          2HH2      ARG  14   8.054   3.704  -6.326
  103   2HH1  ARG  14          1HH2      ARG  14   8.393   3.040  -7.889
  104   1HH2  ARG  14          2HH1      ARG  14   6.060   0.333  -7.492
  105   2HH2  ARG  14          1HH1      ARG  14   7.202   1.029  -8.533
  106    H    VAL  15           H        VAL  15   5.547   0.170  -0.692
  107    HA   VAL  15           HA       VAL  15   7.178  -2.056   0.347
  108    HB   VAL  15           HB       VAL  15   5.444  -2.656   1.734
  109   1HG1  VAL  15          1HG1      VAL  15   6.265  -1.310   3.246
  110   2HG1  VAL  15          2HG1      VAL  15   7.164  -0.502   1.974
  111   3HG1  VAL  15          3HG1      VAL  15   5.606   0.126   2.461
  112   1HG2  VAL  15          1HG2      VAL  15   3.873  -0.792   0.120
  113   2HG2  VAL  15          2HG2      VAL  15   3.303  -2.070   1.208
  114   3HG2  VAL  15          3HG2      VAL  15   3.637  -0.452   1.796
  115    H    CYS  16           H        CYS  16   5.689  -4.242   0.433
  116    HA   CYS  16           HA       CYS  16   4.516  -4.619  -2.234
  117   1HB   CYS  16          1HB       CYS  16   6.416  -5.772  -2.327
  118   2HB   CYS  16          2HB       CYS  16   6.500  -6.266  -0.705
  119    H    GLY  17           H        GLY  17   2.488  -5.366  -2.293
  120   1HA   GLY  17          1HA       GLY  17   1.124  -5.938   0.251
  121   2HA   GLY  17          2HA       GLY  17   0.401  -5.800  -1.335
  122    H    SER  18           H        SER  18  -0.171  -7.891   0.376
  123    HA   SER  18           HA       SER  18   0.936 -10.291  -0.138
  124   1HB   SER  18          1HB       SER  18  -0.869 -11.105   0.876
  125   2HB   SER  18          2HB       SER  18  -1.376  -9.412   1.019
  126    HG   SER  18           HG       SER  18  -2.975  -9.779  -0.398
  127    H    ASP  19           H        ASP  19  -0.916  -8.581  -2.434
  128    HA   ASP  19           HA       ASP  19  -0.996 -10.703  -4.469
  129   1HB   ASP  19          1HB       ASP  19  -1.892  -7.840  -4.182
  130   2HB   ASP  19          2HB       ASP  19  -1.691  -8.483  -5.809
  131    H    GLY  20           H        GLY  20   1.623  -8.972  -3.238
  132   1HA   GLY  20          1HA       GLY  20   3.707  -8.615  -4.035
  133   2HA   GLY  20          2HA       GLY  20   3.302  -9.196  -5.633
  134    H    ASN  21           H        ASN  21   0.904  -7.002  -4.794
  135    HA   ASN  21           HA       ASN  21   1.823  -5.169  -6.685
  136   1HB   ASN  21          1HB       ASN  21  -0.700  -5.765  -5.538
  137   2HB   ASN  21          2HB       ASN  21  -0.366  -4.110  -5.094
  138   1HD2  ASN  21          1HD2      ASN  21  -1.881  -5.868  -7.452
  139   2HD2  ASN  21          2HD2      ASN  21  -1.628  -4.765  -8.794
  140    H    THR  22           H        THR  22   3.302  -3.607  -6.339
  141    HA   THR  22           HA       THR  22   4.108  -3.087  -3.728
  142    HB   THR  22           HB       THR  22   4.746  -1.514  -6.236
  143    HG1  THR  22           HG1      THR  22   5.492  -3.466  -6.631
  144   1HG2  THR  22          1HG2      THR  22   6.650  -1.836  -3.891
  145   2HG2  THR  22          2HG2      THR  22   6.724  -0.676  -5.208
  146   3HG2  THR  22          3HG2      THR  22   5.575  -0.475  -3.869
  147    H    TYR  23           H        TYR  23   3.922  -1.033  -2.548
  148    HA   TYR  23           HA       TYR  23   1.537   0.651  -3.231
  149   1HB   TYR  23          1HB       TYR  23   2.080  -1.026  -0.856
  150   2HB   TYR  23          2HB       TYR  23   1.688   0.653  -0.468
  151    HD1  TYR  23           HD1      TYR  23   0.493  -2.564  -1.292
  152    HD2  TYR  23           HD2      TYR  23  -0.409   1.634  -1.695
  153    HE1  TYR  23           HE1      TYR  23  -1.859  -3.157  -1.492
  154    HE2  TYR  23           HE2      TYR  23  -2.805   1.069  -2.010
  155    HH   TYR  23           HH       TYR  23  -4.023  -2.267  -1.753
  156    H    SER  24           H        SER  24   2.100   2.808  -3.162
  157    HA   SER  24           HA       SER  24   4.527   4.099  -3.019
  158   1HB   SER  24          1HB       SER  24   1.726   4.899  -2.373
  159   2HB   SER  24          2HB       SER  24   3.001   5.934  -1.734
  160    HG   SER  24           HG       SER  24   3.315   5.183  -4.378
  161    H    ASN  25           H        ASN  25   2.672   3.028  -0.205
  162    HA   ASN  25           HA       ASN  25   4.905   3.017   1.568
  163   1HB   ASN  25          1HB       ASN  25   3.594   4.537   3.222
  164   2HB   ASN  25          2HB       ASN  25   4.809   5.100   2.095
  165   1HD2  ASN  25          1HD2      ASN  25   3.834   7.346   2.193
  166   2HD2  ASN  25          2HD2      ASN  25   2.285   7.553   1.440
  167    HA   PRO  26           HA       PRO  26   2.391  -0.070   3.455
  168   1HB   PRO  26          1HB       PRO  26   3.392  -0.067   6.028
  169   2HB   PRO  26          2HB       PRO  26   4.213  -0.797   4.611
  170   1HG   PRO  26          1HG       PRO  26   4.905   1.702   6.038
  171   2HG   PRO  26          2HG       PRO  26   5.911   0.644   5.014
  172   1HD   PRO  26          1HD       PRO  26   4.709   3.110   4.326
  173   2HD   PRO  26          2HD       PRO  26   5.597   1.983   3.275
  174    H    CYS  27           H        CYS  27   2.603   3.147   4.796
  175    HA   CYS  27           HA       CYS  27   0.399   2.934   6.611
  176   1HB   CYS  27          1HB       CYS  27   2.292   4.851   6.098
  177   2HB   CYS  27          2HB       CYS  27   0.929   5.515   5.227
  178    H    MET  28           H        MET  28   0.622   3.521   3.085
  179    HA   MET  28           HA       MET  28  -2.166   4.288   2.742
  180   1HB   MET  28          1HB       MET  28   0.111   3.522   0.918
  181   2HB   MET  28          2HB       MET  28  -1.542   3.391   0.344
  182   1HG   MET  28          1HG       MET  28  -2.038   5.713   1.018
  183   2HG   MET  28          2HG       MET  28  -0.390   5.924   1.555
  184   1HE   MET  28          1HE       MET  28  -2.479   4.567  -1.159
  185   2HE   MET  28          2HE       MET  28  -2.265   5.693  -2.509
  186   3HE   MET  28          3HE       MET  28  -1.207   4.257  -2.361
  187    H    LEU  29           H        LEU  29  -0.273   1.240   2.364
  188    HA   LEU  29           HA       LEU  29  -2.269  -0.373   1.276
  189   1HB   LEU  29          1HB       LEU  29  -0.150  -1.196   1.421
  190   2HB   LEU  29          2HB       LEU  29  -0.032  -1.012   3.200
  191    HG   LEU  29           HG       LEU  29  -1.904  -2.873   2.097
  192   1HD1  LEU  29          1HD1      LEU  29  -0.025  -4.654   1.938
  193   2HD1  LEU  29          2HD1      LEU  29  -0.218  -3.477   0.663
  194   3HD1  LEU  29          3HD1      LEU  29   1.073  -3.270   1.857
  195   1HD2  LEU  29          1HD2      LEU  29  -1.051  -4.357   3.983
  196   2HD2  LEU  29          2HD2      LEU  29  -0.258  -2.908   4.614
  197   3HD2  LEU  29          3HD2      LEU  29  -2.020  -2.995   4.437
  198    H    THR  30           H        THR  30  -1.484  -0.379   4.743
  199    HA   THR  30           HA       THR  30  -3.763  -1.709   5.653
  200    HB   THR  30           HB       THR  30  -1.817  -1.018   7.077
  201    HG1  THR  30           HG1      THR  30  -3.143  -0.727   8.959
  202   1HG2  THR  30          1HG2      THR  30  -3.336   1.597   7.470
  203   2HG2  THR  30          2HG2      THR  30  -1.768   1.104   8.161
  204   3HG2  THR  30          3HG2      THR  30  -1.934   1.384   6.419
  205    H    CYS  31           H        CYS  31  -3.447   1.852   5.107
  206    HA   CYS  31           HA       CYS  31  -5.837   2.687   5.956
  207   1HB   CYS  31          1HB       CYS  31  -4.683   4.519   5.152
  208   2HB   CYS  31          2HB       CYS  31  -3.999   3.678   3.766
  209    H    ALA  32           H        ALA  32  -5.086   1.916   2.616
  210    HA   ALA  32           HA       ALA  32  -7.497   1.816   1.386
  211   1HB   ALA  32          1HB       ALA  32  -5.449  -0.285   0.722
  212   2HB   ALA  32          2HB       ALA  32  -6.607   0.584  -0.297
  213   3HB   ALA  32          3HB       ALA  32  -5.189   1.440   0.366
  214    H    LYS  33           H        LYS  33  -5.912  -0.655   3.093
  215    HA   LYS  33           HA       LYS  33  -7.804  -2.850   2.856
  216   1HB   LYS  33          1HB       LYS  33  -5.409  -2.659   4.154
  217   2HB   LYS  33          2HB       LYS  33  -6.515  -2.529   5.520
  218   1HG   LYS  33          1HG       LYS  33  -7.733  -4.517   4.710
  219   2HG   LYS  33          2HG       LYS  33  -6.508  -4.716   3.449
  220   1HD   LYS  33          1HD       LYS  33  -4.868  -5.416   4.846
  221   2HD   LYS  33          2HD       LYS  33  -5.301  -4.378   6.114
  222   1HE   LYS  33          1HE       LYS  33  -7.393  -6.377   5.381
  223   2HE   LYS  33          2HE       LYS  33  -5.898  -7.125   5.887
  224   1HZ   LYS  33          1HZ       LYS  33  -6.729  -4.992   7.630
  225   2HZ   LYS  33          2HZ       LYS  33  -7.844  -6.206   7.576
  226   3HZ   LYS  33          3HZ       LYS  33  -6.285  -6.535   8.021
  227    H    HIS  34           H        HIS  34  -7.601  -0.637   5.655
  228    HA   HIS  34           HA       HIS  34 -10.245  -1.384   6.622
  229   1HB   HIS  34          1HB       HIS  34  -8.007   0.360   7.453
  230   2HB   HIS  34          2HB       HIS  34  -9.544   1.175   7.657
  231    HD1  HIS  34           HD1      HIS  34  -7.825   0.400  10.170
  232    HD2  HIS  34           HD2      HIS  34 -11.042  -1.782   8.545
  233    HE1  HIS  34           HE1      HIS  34  -8.758  -1.074  12.053
  234    H    GLU  35           H        GLU  35  -9.161   0.743   4.141
  235    HA   GLU  35           HA       GLU  35 -11.504   2.402   4.114
  236   1HB   GLU  35          1HB       GLU  35  -9.073   2.795   3.165
  237   2HB   GLU  35          2HB       GLU  35  -9.678   2.040   1.736
  238   1HG   GLU  35          1HG       GLU  35 -11.345   4.209   2.783
  239   2HG   GLU  35          2HG       GLU  35  -9.759   4.740   2.375
  240    H    GLY  36           H        GLY  36 -10.471   0.166   1.589
  241   1HA   GLY  36          1HA       GLY  36 -13.065  -1.205   1.383
  242   2HA   GLY  36          2HA       GLY  36 -12.645  -0.144   0.044
  243    H    ASN  37           H        ASN  37 -10.560  -2.253   2.149
  244    HA   ASN  37           HA       ASN  37 -10.276  -4.135  -0.138
  245   1HB   ASN  37          1HB       ASN  37  -8.432  -2.048  -0.018
  246   2HB   ASN  37          2HB       ASN  37  -7.635  -3.259   0.892
  247   1HD2  ASN  37          1HD2      ASN  37  -6.078  -3.047  -0.873
  248   2HD2  ASN  37          2HD2      ASN  37  -6.366  -4.040  -2.311
  249    HA   PRO  38           HA       PRO  38 -10.237  -5.918   4.174
  250   1HB   PRO  38          1HB       PRO  38 -12.287  -7.738   3.868
  251   2HB   PRO  38          2HB       PRO  38 -12.442  -6.085   4.508
  252   1HG   PRO  38          1HG       PRO  38 -13.275  -7.115   1.840
  253   2HG   PRO  38          2HG       PRO  38 -13.861  -5.708   2.752
  254   1HD   PRO  38          1HD       PRO  38 -11.966  -5.766   0.613
  255   2HD   PRO  38          2HD       PRO  38 -12.502  -4.352   1.550
  256    H    ASP  39           H        ASP  39  -9.741  -7.029   0.982
  257    HA   ASP  39           HA       ASP  39  -8.837  -9.784   1.574
  258   1HB   ASP  39          1HB       ASP  39  -9.848  -8.398  -0.630
  259   2HB   ASP  39          2HB       ASP  39  -8.140  -8.511  -0.990
  260    H    LEU  40           H        LEU  40  -7.482  -6.563   1.439
  261    HA   LEU  40           HA       LEU  40  -4.768  -7.419   0.547
  262   1HB   LEU  40          1HB       LEU  40  -5.177  -5.179  -0.142
  263   2HB   LEU  40          2HB       LEU  40  -6.228  -4.889   1.255
  264    HG   LEU  40           HG       LEU  40  -4.346  -4.730   2.695
  265   1HD1  LEU  40          1HD1      LEU  40  -2.866  -5.933   0.761
  266   2HD1  LEU  40          2HD1      LEU  40  -2.405  -4.237   0.546
  267   3HD1  LEU  40          3HD1      LEU  40  -2.258  -5.032   2.146
  268   1HD2  LEU  40          1HD2      LEU  40  -3.818  -2.575   0.717
  269   2HD2  LEU  40          2HD2      LEU  40  -5.402  -2.732   1.501
  270   3HD2  LEU  40          3HD2      LEU  40  -3.954  -2.683   2.480
  271    H    VAL  41           H        VAL  41  -2.997  -7.374   2.099
  272    HA   VAL  41           HA       VAL  41  -3.635  -7.258   4.901
  273    HB   VAL  41           HB       VAL  41  -2.751  -9.438   5.350
  274   1HG1  VAL  41          1HG1      VAL  41  -4.907  -9.825   3.246
  275   2HG1  VAL  41          2HG1      VAL  41  -4.490 -10.930   4.549
  276   3HG1  VAL  41          3HG1      VAL  41  -5.205  -9.352   4.940
  277   1HG2  VAL  41          1HG2      VAL  41  -2.814 -10.175   2.418
  278   2HG2  VAL  41          2HG2      VAL  41  -1.314  -9.706   3.286
  279   3HG2  VAL  41          3HG2      VAL  41  -2.233 -11.136   3.766
  280    H    GLN  42           H        GLN  42  -1.730  -6.708   6.064
  281    HA   GLN  42           HA       GLN  42   0.594  -5.677   4.577
  282   1HB   GLN  42          1HB       GLN  42  -0.360  -4.545   6.622
  283   2HB   GLN  42          2HB       GLN  42   0.107  -5.956   7.560
  284   1HG   GLN  42          1HG       GLN  42   2.004  -4.701   7.905
  285   2HG   GLN  42          2HG       GLN  42   2.525  -5.457   6.407
  286   1HE2  GLN  42          1HE2      GLN  42   3.000  -4.039   4.565
  287   2HE2  GLN  42          2HE2      GLN  42   2.607  -2.336   4.701
  288    H    VAL  43           H        VAL  43   1.057  -7.668   3.518
  289    HA   VAL  43           HA       VAL  43   1.875  -9.983   4.803
  290    HB   VAL  43           HB       VAL  43   3.514 -10.120   2.718
  291   1HG1  VAL  43          1HG1      VAL  43   1.268 -11.259   3.234
  292   2HG1  VAL  43          2HG1      VAL  43   0.557  -9.973   2.248
  293   3HG1  VAL  43          3HG1      VAL  43   1.716 -11.126   1.553
  294   1HG2  VAL  43          1HG2      VAL  43   3.200  -7.598   2.177
  295   2HG2  VAL  43          2HG2      VAL  43   2.889  -8.725   0.856
  296   3HG2  VAL  43          3HG2      VAL  43   1.533  -7.995   1.764
  297    H    HIS  44           H        HIS  44   3.723  -7.056   3.940
  298    HA   HIS  44           HA       HIS  44   5.341  -6.787   6.139
  299   1HB   HIS  44          1HB       HIS  44   7.573  -7.592   4.986
  300   2HB   HIS  44          2HB       HIS  44   6.590  -8.665   5.944
  301    HD1  HIS  44           HD1      HIS  44   6.199 -10.900   4.944
  302    HD2  HIS  44           HD2      HIS  44   6.438  -7.845   2.083
  303    HE1  HIS  44           HE1      HIS  44   5.969 -12.030   2.652
  304    H    GLU  45           H        GLU  45   7.423  -5.547   5.392
  305    HA   GLU  45           HA       GLU  45   6.642  -3.322   3.659
  306   1HB   GLU  45          1HB       GLU  45   8.376  -3.823   6.006
  307   2HB   GLU  45          2HB       GLU  45   9.262  -3.004   4.776
  308   1HG   GLU  45          1HG       GLU  45   6.546  -1.844   5.303
  309   2HG   GLU  45          2HG       GLU  45   7.615  -1.829   6.678
  310    H    GLY  46           H        GLY  46   8.877  -2.468   2.637
  311   1HA   GLY  46          1HA       GLY  46  10.578  -2.747   1.111
  312   2HA   GLY  46          2HA       GLY  46  10.480  -4.483   1.328
  313    HA   PRO  47           HA       PRO  47   7.726  -3.074  -2.310
  314   1HB   PRO  47          1HB       PRO  47   9.301  -2.307  -4.423
  315   2HB   PRO  47          2HB       PRO  47   8.559  -1.250  -3.173
  316   1HG   PRO  47          1HG       PRO  47  11.446  -1.960  -3.428
  317   2HG   PRO  47          2HG       PRO  47  10.645  -0.537  -2.709
  318   1HD   PRO  47          1HD       PRO  47  11.608  -2.850  -1.368
  319   2HD   PRO  47          2HD       PRO  47  10.662  -1.506  -0.661
  320    H    CYS  48           H        CYS  48   7.078  -4.487  -3.880
  321    HA   CYS  48           HA       CYS  48   8.682  -6.981  -4.122
  322   1HB   CYS  48          1HB       CYS  48   5.823  -6.298  -4.471
  323   2HB   CYS  48          2HB       CYS  48   6.430  -7.475  -5.609
  324    H    ASP  49           H        ASP  49   6.616  -6.015  -6.786
  325    HA   ASP  49           HA       ASP  49   8.450  -4.689  -8.320
  326   1HB   ASP  49          1HB       ASP  49   9.771  -6.737  -8.280
  327   2HB   ASP  49          2HB       ASP  49   8.346  -7.727  -8.571
  328    H    GLU  50           H        GLU  50   7.354  -4.062 -10.214
  329    HA   GLU  50           HA       GLU  50   4.485  -4.793 -10.496
  330   1HB   GLU  50          1HB       GLU  50   6.153  -2.393 -11.039
  331   2HB   GLU  50          2HB       GLU  50   5.058  -2.770 -12.347
  332   1HG   GLU  50          1HG       GLU  50   3.235  -2.108 -11.220
  333   2HG   GLU  50          2HG       GLU  50   3.670  -2.971  -9.767
  334    H    HIS  51           H        HIS  51   4.024  -4.461 -13.067
  335    HA   HIS  51           HA       HIS  51   5.180  -6.899 -14.286
  336   1HB   HIS  51          1HB       HIS  51   2.561  -5.616 -14.293
  337   2HB   HIS  51          2HB       HIS  51   3.116  -5.805 -15.944
  338    HD1  HIS  51           HD1      HIS  51   2.641  -7.983 -12.813
  339    HD2  HIS  51           HD2      HIS  51   3.176  -8.158 -16.978
  340    HE1  HIS  51           HE1      HIS  51   2.139 -10.409 -13.507
  341    H    ASP  52           H        ASP  52   7.237  -5.155 -14.144
  342    HA   ASP  52           HA       ASP  52   7.917  -4.801 -16.807
  343   1HB   ASP  52          1HB       ASP  52   6.333  -2.614 -16.090
  344   2HB   ASP  52          2HB       ASP  52   7.918  -2.047 -15.593
  345    H    HIS  53           H        HIS  53  10.183  -4.003 -16.987
  346    HA   HIS  53           HA       HIS  53  11.626  -3.672 -14.429
  347   1HB   HIS  53          1HB       HIS  53  13.285  -5.330 -14.914
  348   2HB   HIS  53          2HB       HIS  53  11.709  -6.070 -14.781
  349    HD1  HIS  53           HD1      HIS  53  10.571  -6.200 -17.595
  350    HD2  HIS  53           HD2      HIS  53  14.705  -6.212 -16.843
  351    HE1  HIS  53           HE1      HIS  53  11.695  -7.087 -19.716
  352    H    ASP  54           H        ASP  54  11.567  -1.487 -15.209
  353    HA   ASP  54           HA       ASP  54  13.180  -0.875 -17.622
  354   1HB   ASP  54          1HB       ASP  54  11.097   0.541 -16.054
  355   2HB   ASP  54          2HB       ASP  54  12.510   1.541 -16.356
  356    H    PHE  55           H        PHE  55  14.960   0.650 -17.510
  357    HA   PHE  55           HA       PHE  55  16.233   1.140 -14.966
  358   1HB   PHE  55          2HB       PHE  55  16.686  -1.330 -15.594
  359   2HB   PHE  55          1HB       PHE  55  17.730  -0.706 -16.867
  360    HD1  PHE  55           HD1      PHE  55  19.469   1.201 -15.927
  361    HD2  PHE  55           HD2      PHE  55  17.575  -1.859 -13.546
  362    HE1  PHE  55           HE1      PHE  55  21.273   1.372 -14.273
  363    HE2  PHE  55           HE2      PHE  55  19.395  -1.718 -11.905
  364    HZ   PHE  55           HZ       PHE  55  21.269  -0.096 -12.245
  Start of MODEL    7
    1   1H    PHE   1          1H        PHE   1 -15.804   5.112   5.594
    2   2H    PHE   1          2H        PHE   1 -15.475   6.638   5.029
    3   3H    PHE   1          3H        PHE   1 -16.089   5.492   4.017
    4    HA   PHE   1           HA       PHE   1 -13.331   5.422   5.159
    5   1HB   PHE   1          2HB       PHE   1 -13.836   3.491   3.134
    6   2HB   PHE   1          1HB       PHE   1 -13.207   3.364   4.763
    7    HD1  PHE   1           HD1      PHE   1 -14.453   2.441   6.607
    8    HD2  PHE   1           HD2      PHE   1 -16.312   3.120   2.767
    9    HE1  PHE   1           HE1      PHE   1 -16.464   1.197   7.350
   10    HE2  PHE   1           HE2      PHE   1 -18.324   1.884   3.529
   11    HZ   PHE   1           HZ       PHE   1 -18.403   0.926   5.820
   12    H    GLN   2           H        GLN   2 -13.031   7.454   4.558
   13    HA   GLN   2           HA       GLN   2 -11.216   6.974   2.678
   14   1HB   GLN   2          1HB       GLN   2 -13.077   7.911   1.153
   15   2HB   GLN   2          2HB       GLN   2 -12.822   9.461   1.951
   16   1HG   GLN   2          1HG       GLN   2 -10.421   8.032   0.786
   17   2HG   GLN   2          2HG       GLN   2 -11.617   8.629  -0.351
   18   1HE2  GLN   2          1HE2      GLN   2 -12.165  11.015  -0.310
   19   2HE2  GLN   2          2HE2      GLN   2 -10.881  12.095   0.219
   20    H    GLY   3           H        GLY   3  -9.779   9.093   2.892
   21   1HA   GLY   3          1HA       GLY   3  -8.887  10.882   4.015
   22   2HA   GLY   3          2HA       GLY   3 -10.408  11.025   4.906
   23    H    ASN   4           H        ASN   4 -10.699   9.230   6.625
   24    HA   ASN   4           HA       ASN   4  -8.653   9.751   8.514
   25   1HB   ASN   4          1HB       ASN   4 -11.253   8.959   8.790
   26   2HB   ASN   4          2HB       ASN   4 -10.441   7.458   9.216
   27   1HD2  ASN   4          1HD2      ASN   4  -8.024   8.516  10.469
   28   2HD2  ASN   4          2HD2      ASN   4  -8.564   9.400  11.890
   29    HA   PRO   5           HA       PRO   5  -7.029   5.162   8.008
   30   1HB   PRO   5          1HB       PRO   5  -7.381   4.194   5.458
   31   2HB   PRO   5          2HB       PRO   5  -8.368   3.755   6.864
   32   1HG   PRO   5          1HG       PRO   5  -8.890   5.768   4.662
   33   2HG   PRO   5          2HG       PRO   5 -10.003   4.530   5.334
   34   1HD   PRO   5          1HD       PRO   5 -10.160   7.052   6.160
   35   2HD   PRO   5          2HD       PRO   5 -10.282   5.745   7.356
   36    H    CYS   6           H        CYS   6  -6.949   7.969   5.826
   37    HA   CYS   6           HA       CYS   6  -4.169   7.290   5.017
   38   1HB   CYS   6          1HB       CYS   6  -6.566   8.242   3.495
   39   2HB   CYS   6          2HB       CYS   6  -5.015   8.893   3.033
   40    H    GLU   7           H        GLU   7  -4.519   8.706   7.462
   41    HA   GLU   7           HA       GLU   7  -4.115  11.522   7.033
   42   1HB   GLU   7          1HB       GLU   7  -3.059  11.542   9.227
   43   2HB   GLU   7          2HB       GLU   7  -4.564  10.626   9.253
   44   1HG   GLU   7          1HG       GLU   7  -3.280   8.497   9.204
   45   2HG   GLU   7          2HG       GLU   7  -1.766   9.403   9.138
   46    H    CYS   8           H        CYS   8  -2.084   8.777   6.603
   47    HA   CYS   8           HA       CYS   8   0.412   9.728   7.120
   48   1HB   CYS   8          1HB       CYS   8  -0.757   7.476   5.548
   49   2HB   CYS   8          2HB       CYS   8   0.953   7.766   5.309
   50    HA   PRO   9           HA       PRO   9   1.899  12.176   3.881
   51   1HB   PRO   9          1HB       PRO   9   4.592  11.827   3.949
   52   2HB   PRO   9          2HB       PRO   9   3.697  12.484   5.352
   53   1HG   PRO   9          1HG       PRO   9   4.659   9.649   4.905
   54   2HG   PRO   9          2HG       PRO   9   4.772  10.638   6.393
   55   1HD   PRO   9          1HD       PRO   9   2.801   8.757   5.835
   56   2HD   PRO   9          2HD       PRO   9   2.580  10.081   6.992
   57    H    ARG  10           H        ARG  10   3.048  12.221   1.762
   58    HA   ARG  10           HA       ARG  10   2.622   9.733   0.237
   59   1HB   ARG  10          1HB       ARG  10   3.501  12.517  -0.667
   60   2HB   ARG  10          2HB       ARG  10   3.129  11.149  -1.702
   61   1HG   ARG  10          1HG       ARG  10   1.237  12.391  -1.862
   62   2HG   ARG  10          2HG       ARG  10   0.750  11.164  -0.709
   63   1HD   ARG  10          1HD       ARG  10   1.813  13.812   0.324
   64   2HD   ARG  10          2HD       ARG  10   0.233  13.791  -0.463
   65    HE   ARG  10           HE       ARG  10   0.220  11.732   1.467
   66   1HH1  ARG  10          2HH2      ARG  10   0.201  15.260   1.282
   67   2HH1  ARG  10          1HH2      ARG  10  -0.671  15.487   2.763
   68   1HH2  ARG  10          2HH1      ARG  10  -0.836  12.019   3.523
   69   2HH2  ARG  10          1HH1      ARG  10  -1.336  13.580   4.029
   70    H    ALA  11           H        ALA  11   4.578   9.357   2.145
   71    HA   ALA  11           HA       ALA  11   7.196   9.675   1.216
   72   1HB   ALA  11          1HB       ALA  11   5.971   7.764   3.252
   73   2HB   ALA  11          2HB       ALA  11   7.706   8.047   3.020
   74   3HB   ALA  11          3HB       ALA  11   6.679   9.365   3.597
   75    H    LEU  12           H        LEU  12   8.344   8.410  -0.251
   76    HA   LEU  12           HA       LEU  12   7.091   6.200  -1.605
   77   1HB   LEU  12          1HB       LEU  12   9.638   7.878  -1.720
   78   2HB   LEU  12          2HB       LEU  12   9.519   6.436  -2.680
   79    HG   LEU  12           HG       LEU  12   9.017   8.477  -3.873
   80   1HD1  LEU  12          1HD1      LEU  12   7.114   7.570  -5.160
   81   2HD1  LEU  12          2HD1      LEU  12   8.221   6.275  -4.690
   82   3HD1  LEU  12          3HD1      LEU  12   6.692   6.496  -3.810
   83   1HD2  LEU  12          1HD2      LEU  12   6.381   8.632  -2.403
   84   2HD2  LEU  12          2HD2      LEU  12   7.759   9.742  -2.200
   85   3HD2  LEU  12          3HD2      LEU  12   6.922   9.643  -3.753
   86    H    HIS  13           H        HIS  13   7.288   5.365   1.006
   87    HA   HIS  13           HA       HIS  13   9.818   3.798   1.324
   88   1HB   HIS  13          1HB       HIS  13   7.509   4.171   3.260
   89   2HB   HIS  13          2HB       HIS  13   9.028   3.335   3.582
   90    HD1  HIS  13           HD1      HIS  13   8.398   5.631   5.497
   91    HD2  HIS  13           HD2      HIS  13  10.423   6.146   1.838
   92    HE1  HIS  13           HE1      HIS  13   9.670   7.847   5.652
   93    H    ARG  14           H        ARG  14   8.973   2.794  -0.720
   94    HA   ARG  14           HA       ARG  14   6.491   1.657  -1.005
   95   1HB   ARG  14          1HB       ARG  14   8.979   0.616  -2.404
   96   2HB   ARG  14          2HB       ARG  14   7.304   0.551  -2.967
   97   1HG   ARG  14          1HG       ARG  14   7.339   3.098  -3.083
   98   2HG   ARG  14          2HG       ARG  14   9.059   3.029  -2.694
   99   1HD   ARG  14          1HD       ARG  14   8.763   3.248  -5.096
  100   2HD   ARG  14          2HD       ARG  14   9.514   1.694  -4.696
  101    HE   ARG  14           HE       ARG  14   6.706   1.352  -4.802
  102   1HH1  ARG  14          2HH2      ARG  14   9.416   1.955  -7.084
  103   2HH1  ARG  14          1HH2      ARG  14   8.738   0.858  -8.281
  104   1HH2  ARG  14          2HH1      ARG  14   5.799   0.089  -6.539
  105   2HH2  ARG  14          1HH1      ARG  14   6.764  -0.153  -7.978
  106    H    VAL  15           H        VAL  15   5.510  -0.422  -0.979
  107    HA   VAL  15           HA       VAL  15   7.017  -2.679   0.206
  108    HB   VAL  15           HB       VAL  15   5.390  -3.039   1.935
  109   1HG1  VAL  15          1HG1      VAL  15   6.049  -0.111   2.046
  110   2HG1  VAL  15          2HG1      VAL  15   5.835  -1.228   3.412
  111   3HG1  VAL  15          3HG1      VAL  15   7.241  -1.380   2.331
  112   1HG2  VAL  15          1HG2      VAL  15   3.582  -1.525   2.453
  113   2HG2  VAL  15          2HG2      VAL  15   3.906  -0.573   0.984
  114   3HG2  VAL  15          3HG2      VAL  15   3.329  -2.259   0.881
  115    H    CYS  16           H        CYS  16   5.851  -4.748   0.053
  116    HA   CYS  16           HA       CYS  16   4.118  -4.866  -2.344
  117   1HB   CYS  16          1HB       CYS  16   6.106  -6.258  -2.105
  118   2HB   CYS  16          2HB       CYS  16   5.514  -6.944  -0.635
  119    H    GLY  17           H        GLY  17   1.892  -5.320  -2.254
  120   1HA   GLY  17          1HA       GLY  17   0.729  -6.320   0.290
  121   2HA   GLY  17          2HA       GLY  17  -0.169  -5.716  -1.090
  122    H    SER  18           H        SER  18  -0.570  -8.172   0.145
  123    HA   SER  18           HA       SER  18   0.395 -10.439  -0.749
  124   1HB   SER  18          1HB       SER  18  -1.706 -11.466  -0.175
  125   2HB   SER  18          2HB       SER  18  -1.515 -10.056   0.831
  126    HG   SER  18           HG       SER  18  -3.634 -10.226  -0.167
  127    H    ASP  19           H        ASP  19  -1.664  -8.558  -2.850
  128    HA   ASP  19           HA       ASP  19  -1.956 -10.406  -4.988
  129   1HB   ASP  19          1HB       ASP  19  -1.814  -7.395  -4.779
  130   2HB   ASP  19          2HB       ASP  19  -2.314  -8.148  -6.282
  131    H    GLY  20           H        GLY  20   0.982  -9.043  -3.851
  132   1HA   GLY  20          1HA       GLY  20   3.089  -8.816  -4.837
  133   2HA   GLY  20          2HA       GLY  20   2.414  -9.112  -6.443
  134    H    ASN  21           H        ASN  21   0.208  -7.131  -5.194
  135    HA   ASN  21           HA       ASN  21   0.799  -4.929  -6.790
  136   1HB   ASN  21          1HB       ASN  21  -1.442  -5.788  -6.262
  137   2HB   ASN  21          2HB       ASN  21  -1.239  -5.272  -4.564
  138   1HD2  ASN  21          1HD2      ASN  21  -3.296  -4.175  -5.028
  139   2HD2  ASN  21          2HD2      ASN  21  -3.242  -2.660  -5.921
  140    H    THR  22           H        THR  22   2.665  -3.815  -6.222
  141    HA   THR  22           HA       THR  22   3.400  -3.303  -3.580
  142    HB   THR  22           HB       THR  22   4.389  -2.174  -6.192
  143    HG1  THR  22           HG1      THR  22   4.464  -4.490  -5.552
  144   1HG2  THR  22          1HG2      THR  22   6.417  -1.518  -4.996
  145   2HG2  THR  22          2HG2      THR  22   5.050  -0.679  -4.242
  146   3HG2  THR  22          3HG2      THR  22   5.762  -2.097  -3.467
  147    H    TYR  23           H        TYR  23   3.302  -1.337  -2.379
  148    HA   TYR  23           HA       TYR  23   1.565   0.835  -3.421
  149   1HB   TYR  23          1HB       TYR  23   1.680  -0.452  -0.655
  150   2HB   TYR  23          2HB       TYR  23   0.906   1.078  -0.990
  151    HD1  TYR  23           HD1      TYR  23  -1.133   1.176  -2.518
  152    HD2  TYR  23           HD2      TYR  23   0.600  -2.570  -1.250
  153    HE1  TYR  23           HE1      TYR  23  -3.220   0.025  -3.105
  154    HE2  TYR  23           HE2      TYR  23  -1.502  -3.735  -1.838
  155    HH   TYR  23           HH       TYR  23  -4.312  -2.016  -3.234
  156    H    SER  24           H        SER  24   2.426   2.913  -2.994
  157    HA   SER  24           HA       SER  24   5.145   3.168  -2.758
  158   1HB   SER  24          1HB       SER  24   3.085   5.305  -2.122
  159   2HB   SER  24          2HB       SER  24   4.733   5.551  -2.732
  160    HG   SER  24           HG       SER  24   4.112   4.867  -4.694
  161    H    ASN  25           H        ASN  25   2.961   2.733  -0.071
  162    HA   ASN  25           HA       ASN  25   5.124   2.551   1.697
  163   1HB   ASN  25          1HB       ASN  25   4.308   4.242   3.410
  164   2HB   ASN  25          2HB       ASN  25   5.080   4.921   2.011
  165   1HD2  ASN  25          1HD2      ASN  25   4.036   6.624   1.101
  166   2HD2  ASN  25          2HD2      ASN  25   2.392   7.105   1.547
  167    HA   PRO  26           HA       PRO  26   2.186  -0.233   3.319
  168   1HB   PRO  26          1HB       PRO  26   2.782  -0.501   5.970
  169   2HB   PRO  26          2HB       PRO  26   3.839  -1.097   4.660
  170   1HG   PRO  26          1HG       PRO  26   4.090   1.449   6.252
  171   2HG   PRO  26          2HG       PRO  26   5.372   0.280   5.786
  172   1HD   PRO  26          1HD       PRO  26   4.894   2.605   4.456
  173   2HD   PRO  26          2HD       PRO  26   5.513   1.166   3.636
  174    H    CYS  27           H        CYS  27   2.184   3.018   4.484
  175    HA   CYS  27           HA       CYS  27  -0.081   2.745   6.261
  176   1HB   CYS  27          1HB       CYS  27   1.808   4.626   6.126
  177   2HB   CYS  27          2HB       CYS  27   0.718   5.334   4.952
  178    H    MET  28           H        MET  28   0.425   3.806   2.822
  179    HA   MET  28           HA       MET  28  -2.233   4.445   2.189
  180   1HB   MET  28          1HB       MET  28  -0.407   4.943   0.740
  181   2HB   MET  28          2HB       MET  28   0.131   3.290   0.627
  182   1HG   MET  28          1HG       MET  28  -1.578   2.615  -0.727
  183   2HG   MET  28          2HG       MET  28  -2.644   3.935  -0.212
  184   1HE   MET  28          1HE       MET  28   0.738   4.490  -3.319
  185   2HE   MET  28          2HE       MET  28   1.062   4.187  -1.595
  186   3HE   MET  28          3HE       MET  28   0.307   2.924  -2.600
  187    H    LEU  29           H        LEU  29  -0.427   1.469   1.977
  188    HA   LEU  29           HA       LEU  29  -2.446  -0.248   1.036
  189   1HB   LEU  29          1HB       LEU  29  -0.356  -1.075   1.057
  190   2HB   LEU  29          2HB       LEU  29  -0.029  -0.708   2.767
  191    HG   LEU  29           HG       LEU  29  -1.462  -2.969   1.632
  192   1HD1  LEU  29          1HD1      LEU  29   0.519  -4.287   2.320
  193   2HD1  LEU  29          2HD1      LEU  29   0.905  -3.032   1.142
  194   3HD1  LEU  29          3HD1      LEU  29   1.275  -2.770   2.857
  195   1HD2  LEU  29          1HD2      LEU  29  -2.368  -2.764   3.891
  196   2HD2  LEU  29          2HD2      LEU  29  -1.142  -4.018   3.967
  197   3HD2  LEU  29          3HD2      LEU  29  -0.741  -2.397   4.542
  198    H    THR  30           H        THR  30  -1.405   0.041   4.418
  199    HA   THR  30           HA       THR  30  -3.662  -1.349   5.407
  200    HB   THR  30           HB       THR  30  -1.401  -0.378   6.512
  201    HG1  THR  30           HG1      THR  30  -2.048  -1.481   8.263
  202   1HG2  THR  30          1HG2      THR  30  -1.923   1.033   8.375
  203   2HG2  THR  30          2HG2      THR  30  -2.348   1.832   6.847
  204   3HG2  THR  30          3HG2      THR  30  -3.633   1.134   7.865
  205    H    CYS  31           H        CYS  31  -3.393   2.247   4.926
  206    HA   CYS  31           HA       CYS  31  -5.767   3.015   5.748
  207   1HB   CYS  31          1HB       CYS  31  -4.302   4.659   4.762
  208   2HB   CYS  31          2HB       CYS  31  -4.165   3.774   3.293
  209    H    ALA  32           H        ALA  32  -5.129   1.983   2.415
  210    HA   ALA  32           HA       ALA  32  -7.654   1.656   1.278
  211   1HB   ALA  32          1HB       ALA  32  -5.552   1.459   0.094
  212   2HB   ALA  32          2HB       ALA  32  -5.224  -0.091   0.899
  213   3HB   ALA  32          3HB       ALA  32  -6.627   0.046  -0.172
  214    H    LYS  33           H        LYS  33  -5.841  -0.637   3.160
  215    HA   LYS  33           HA       LYS  33  -7.512  -2.911   3.023
  216   1HB   LYS  33          1HB       LYS  33  -5.157  -2.782   3.921
  217   2HB   LYS  33          2HB       LYS  33  -5.836  -2.131   5.414
  218   1HG   LYS  33          1HG       LYS  33  -7.222  -4.089   5.729
  219   2HG   LYS  33          2HG       LYS  33  -6.649  -4.772   4.192
  220   1HD   LYS  33          1HD       LYS  33  -4.483  -5.100   4.911
  221   2HD   LYS  33          2HD       LYS  33  -4.646  -4.052   6.264
  222   1HE   LYS  33          1HE       LYS  33  -6.423  -6.472   5.915
  223   2HE   LYS  33          2HE       LYS  33  -4.819  -6.661   6.609
  224   1HZ   LYS  33          1HZ       LYS  33  -5.479  -5.124   8.385
  225   2HZ   LYS  33          2HZ       LYS  33  -6.964  -4.931   7.709
  226   3HZ   LYS  33          3HZ       LYS  33  -6.530  -6.396   8.318
  227    H    HIS  34           H        HIS  34  -7.364  -0.513   5.640
  228    HA   HIS  34           HA       HIS  34  -9.822  -1.390   6.888
  229   1HB   HIS  34          1HB       HIS  34  -7.944   0.990   7.128
  230   2HB   HIS  34          2HB       HIS  34  -9.487   0.967   7.948
  231    HD1  HIS  34           HD1      HIS  34  -9.723  -0.784  10.007
  232    HD2  HIS  34           HD2      HIS  34  -6.077  -0.938   7.909
  233    HE1  HIS  34           HE1      HIS  34  -8.166  -2.340  11.320
  234    H    GLU  35           H        GLU  35  -9.050   0.831   4.293
  235    HA   GLU  35           HA       GLU  35 -11.532   2.286   4.558
  236   1HB   GLU  35          1HB       GLU  35  -9.296   3.038   3.550
  237   2HB   GLU  35          2HB       GLU  35  -9.859   2.324   2.059
  238   1HG   GLU  35          1HG       GLU  35 -11.624   4.326   3.395
  239   2HG   GLU  35          2HG       GLU  35 -10.090   4.887   2.806
  240    H    GLY  36           H        GLY  36 -10.485  -0.282   2.254
  241   1HA   GLY  36          1HA       GLY  36 -13.237  -1.280   2.038
  242   2HA   GLY  36          2HA       GLY  36 -12.649  -0.450   0.599
  243    H    ASN  37           H        ASN  37 -10.254  -2.331   2.466
  244    HA   ASN  37           HA       ASN  37 -10.462  -4.563   0.472
  245   1HB   ASN  37          1HB       ASN  37  -8.666  -2.568  -0.017
  246   2HB   ASN  37          2HB       ASN  37  -7.751  -3.397   1.131
  247   1HD2  ASN  37          1HD2      ASN  37  -6.926  -3.138  -1.478
  248   2HD2  ASN  37          2HD2      ASN  37  -6.834  -4.768  -2.127
  249    HA   PRO  38           HA       PRO  38  -9.768  -5.745   4.967
  250   1HB   PRO  38          1HB       PRO  38 -11.628  -7.770   5.189
  251   2HB   PRO  38          2HB       PRO  38 -11.994  -6.039   5.473
  252   1HG   PRO  38          1HG       PRO  38 -12.424  -7.642   2.931
  253   2HG   PRO  38          2HG       PRO  38 -13.589  -6.563   3.767
  254   1HD   PRO  38          1HD       PRO  38 -12.137  -5.692   1.643
  255   2HD   PRO  38          2HD       PRO  38 -12.435  -4.614   3.042
  256    H    ASP  39           H        ASP  39  -9.901  -7.423   1.956
  257    HA   ASP  39           HA       ASP  39  -8.518  -9.858   2.629
  258   1HB   ASP  39          1HB       ASP  39  -9.864  -8.509   0.355
  259   2HB   ASP  39          2HB       ASP  39  -8.396  -9.312  -0.138
  260    H    LEU  40           H        LEU  40  -7.387  -6.587   2.098
  261    HA   LEU  40           HA       LEU  40  -4.789  -7.338   0.934
  262   1HB   LEU  40          1HB       LEU  40  -5.577  -5.203   0.250
  263   2HB   LEU  40          2HB       LEU  40  -6.207  -4.833   1.863
  264    HG   LEU  40           HG       LEU  40  -4.177  -4.440   2.748
  265   1HD1  LEU  40          1HD1      LEU  40  -2.951  -5.910   0.764
  266   2HD1  LEU  40          2HD1      LEU  40  -2.493  -4.271   0.343
  267   3HD1  LEU  40          3HD1      LEU  40  -2.154  -4.918   1.992
  268   1HD2  LEU  40          1HD2      LEU  40  -4.411  -2.937   0.088
  269   2HD2  LEU  40          2HD2      LEU  40  -5.259  -2.531   1.578
  270   3HD2  LEU  40          3HD2      LEU  40  -3.501  -2.360   1.480
  271    H    VAL  41           H        VAL  41  -2.918  -7.295   2.198
  272    HA   VAL  41           HA       VAL  41  -3.105  -6.951   5.072
  273    HB   VAL  41           HB       VAL  41  -1.971  -9.122   5.412
  274   1HG1  VAL  41          1HG1      VAL  41  -4.450  -8.875   5.720
  275   2HG1  VAL  41          2HG1      VAL  41  -4.659  -9.584   4.093
  276   3HG1  VAL  41          3HG1      VAL  41  -3.891 -10.529   5.375
  277   1HG2  VAL  41          1HG2      VAL  41  -2.804  -9.784   2.563
  278   2HG2  VAL  41          2HG2      VAL  41  -1.130  -9.513   3.124
  279   3HG2  VAL  41          3HG2      VAL  41  -2.054 -10.889   3.724
  280    H    GLN  42           H        GLN  42  -0.996  -6.688   5.987
  281    HA   GLN  42           HA       GLN  42   1.153  -5.892   4.177
  282   1HB   GLN  42          1HB       GLN  42   0.580  -4.882   6.512
  283   2HB   GLN  42          2HB       GLN  42   1.297  -6.331   7.194
  284   1HG   GLN  42          1HG       GLN  42   3.044  -4.726   7.141
  285   2HG   GLN  42          2HG       GLN  42   3.394  -5.787   5.775
  286   1HE2  GLN  42          1HE2      GLN  42   3.924  -4.629   3.867
  287   2HE2  GLN  42          2HE2      GLN  42   3.312  -3.020   3.540
  288    H    VAL  43           H        VAL  43   1.226  -7.944   2.978
  289    HA   VAL  43           HA       VAL  43   1.783 -10.438   4.069
  290    HB   VAL  43           HB       VAL  43   3.259 -10.746   1.907
  291   1HG1  VAL  43          1HG1      VAL  43   1.334 -11.413   0.774
  292   2HG1  VAL  43          2HG1      VAL  43   1.001 -11.672   2.476
  293   3HG1  VAL  43          3HG1      VAL  43   0.315 -10.236   1.683
  294   1HG2  VAL  43          1HG2      VAL  43   3.370  -8.351   1.228
  295   2HG2  VAL  43          2HG2      VAL  43   2.482  -9.313   0.046
  296   3HG2  VAL  43          3HG2      VAL  43   1.603  -8.271   1.183
  297    H    HIS  44           H        HIS  44   3.973  -7.796   3.167
  298    HA   HIS  44           HA       HIS  44   5.537  -8.075   5.429
  299   1HB   HIS  44          1HB       HIS  44   7.501  -8.941   4.782
  300   2HB   HIS  44          2HB       HIS  44   6.483  -9.953   3.845
  301    HD1  HIS  44           HD1      HIS  44   6.160  -7.955   1.258
  302    HD2  HIS  44           HD2      HIS  44   9.661  -9.023   3.335
  303    HE1  HIS  44           HE1      HIS  44   8.071  -7.847  -0.421
  304    H    GLU  45           H        GLU  45   7.601  -6.379   4.766
  305    HA   GLU  45           HA       GLU  45   6.360  -3.880   3.868
  306   1HB   GLU  45          1HB       GLU  45   8.074  -4.233   5.769
  307   2HB   GLU  45          2HB       GLU  45   9.285  -4.478   4.514
  308   1HG   GLU  45          1HG       GLU  45   8.801  -2.166   3.669
  309   2HG   GLU  45          2HG       GLU  45   7.553  -1.988   4.908
  310    H    GLY  46           H        GLY  46   9.083  -3.325   2.483
  311   1HA   GLY  46          1HA       GLY  46  10.288  -3.555   0.602
  312   2HA   GLY  46          2HA       GLY  46  10.080  -5.266   0.883
  313    HA   PRO  47           HA       PRO  47   7.194  -3.605  -2.599
  314   1HB   PRO  47          1HB       PRO  47   8.485  -2.419  -4.640
  315   2HB   PRO  47          2HB       PRO  47   8.053  -1.555  -3.127
  316   1HG   PRO  47          1HG       PRO  47  10.729  -2.792  -3.834
  317   2HG   PRO  47          2HG       PRO  47  10.413  -1.127  -3.253
  318   1HD   PRO  47          1HD       PRO  47  11.111  -3.161  -1.564
  319   2HD   PRO  47          2HD       PRO  47   9.976  -1.880  -1.067
  320    H    CYS  48           H        CYS  48   6.484  -5.285  -3.771
  321    HA   CYS  48           HA       CYS  48   8.279  -7.357  -4.786
  322   1HB   CYS  48          1HB       CYS  48   5.301  -6.834  -4.992
  323   2HB   CYS  48          2HB       CYS  48   6.077  -8.124  -5.882
  324    H    ASP  49           H        ASP  49   6.659  -4.517  -6.176
  325    HA   ASP  49           HA       ASP  49   7.079  -5.065  -8.874
  326   1HB   ASP  49          1HB       ASP  49   5.463  -3.447  -8.220
  327   2HB   ASP  49          2HB       ASP  49   6.652  -2.518  -7.309
  328    H    GLU  50           H        GLU  50   8.833  -2.342  -7.200
  329    HA   GLU  50           HA       GLU  50  11.370  -3.545  -7.512
  330   1HB   GLU  50          1HB       GLU  50  10.417  -2.064  -9.809
  331   2HB   GLU  50          2HB       GLU  50  11.645  -1.077  -9.050
  332   1HG   GLU  50          1HG       GLU  50  12.014  -4.008  -9.841
  333   2HG   GLU  50          2HG       GLU  50  12.479  -2.632 -10.833
  334    H    HIS  51           H        HIS  51  13.061  -1.903  -6.930
  335    HA   HIS  51           HA       HIS  51  12.087   0.094  -4.945
  336   1HB   HIS  51          1HB       HIS  51  13.833  -0.472  -3.472
  337   2HB   HIS  51          2HB       HIS  51  12.928  -1.927  -3.854
  338    HD1  HIS  51           HD1      HIS  51  14.726  -2.792  -6.565
  339    HD2  HIS  51           HD2      HIS  51  16.023  -1.565  -2.714
  340    HE1  HIS  51           HE1      HIS  51  17.051  -3.722  -6.212
  341    H    ASP  52           H        ASP  52  12.121   1.651  -6.672
  342    HA   ASP  52           HA       ASP  52  14.442   2.514  -7.952
  343   1HB   ASP  52          1HB       ASP  52  13.065   4.590  -8.300
  344   2HB   ASP  52          2HB       ASP  52  12.294   3.097  -8.819
  345    H    HIS  53           H        HIS  53  15.326   4.799  -7.539
  346    HA   HIS  53           HA       HIS  53  15.738   5.388  -4.672
  347   1HB   HIS  53          1HB       HIS  53  17.327   3.549  -5.911
  348   2HB   HIS  53          2HB       HIS  53  18.206   4.994  -6.348
  349    HD1  HIS  53           HD1      HIS  53  18.000   2.504  -3.744
  350    HD2  HIS  53           HD2      HIS  53  18.610   6.670  -3.857
  351    HE1  HIS  53           HE1      HIS  53  19.164   3.140  -1.543
  352    H    ASP  54           H        ASP  54  14.306   6.925  -6.452
  353    HA   ASP  54           HA       ASP  54  15.765   8.707  -8.105
  354   1HB   ASP  54          1HB       ASP  54  13.314   8.169  -8.215
  355   2HB   ASP  54          2HB       ASP  54  13.063   9.147  -6.769
  356    H    PHE  55           H        PHE  55  14.701   9.018  -4.747
  357    HA   PHE  55           HA       PHE  55  16.360  11.429  -4.323
  358   1HB   PHE  55          2HB       PHE  55  14.059  10.319  -2.663
  359   2HB   PHE  55          1HB       PHE  55  15.114  11.636  -2.175
  360    HD1  PHE  55           HD1      PHE  55  15.112  13.810  -3.460
  361    HD2  PHE  55           HD2      PHE  55  12.219  10.710  -4.222
  362    HE1  PHE  55           HE1      PHE  55  13.653  15.454  -4.621
  363    HE2  PHE  55           HE2      PHE  55  10.769  12.349  -5.387
  364    HZ   PHE  55           HZ       PHE  55  11.476  14.724  -5.581
  Start of MODEL    8
    1   1H    PHE   1          1H        PHE   1 -15.696   6.019   3.359
    2   2H    PHE   1          2H        PHE   1 -15.939   5.016   4.647
    3   3H    PHE   1          3H        PHE   1 -15.352   6.552   4.883
    4    HA   PHE   1           HA       PHE   1 -13.435   5.176   5.034
    5   1HB   PHE   1          2HB       PHE   1 -13.659   3.772   2.533
    6   2HB   PHE   1          1HB       PHE   1 -13.209   3.300   4.150
    7    HD1  PHE   1           HD1      PHE   1 -14.928   2.601   5.848
    8    HD2  PHE   1           HD2      PHE   1 -15.901   3.277   1.696
    9    HE1  PHE   1           HE1      PHE   1 -17.110   1.479   6.179
   10    HE2  PHE   1           HE2      PHE   1 -18.080   2.138   2.030
   11    HZ   PHE   1           HZ       PHE   1 -18.696   1.253   4.275
   12    H    GLN   2           H        GLN   2 -12.122   6.861   4.754
   13    HA   GLN   2           HA       GLN   2 -10.547   6.937   2.601
   14   1HB   GLN   2          1HB       GLN   2 -12.708   8.965   2.262
   15   2HB   GLN   2          2HB       GLN   2 -11.058   9.598   2.157
   16   1HG   GLN   2          1HG       GLN   2 -10.505   7.889   0.450
   17   2HG   GLN   2          2HG       GLN   2 -12.214   7.436   0.385
   18   1HE2  GLN   2          1HE2      GLN   2 -10.812   8.359  -1.863
   19   2HE2  GLN   2          2HE2      GLN   2 -11.457   9.946  -2.296
   20    H    GLY   3           H        GLY   3 -11.721   9.783   4.273
   21   1HA   GLY   3          1HA       GLY   3  -9.217  10.443   5.518
   22   2HA   GLY   3          2HA       GLY   3 -10.747  11.316   5.649
   23    H    ASN   4           H        ASN   4  -9.741   8.066   6.536
   24    HA   ASN   4           HA       ASN   4  -9.492   8.706   9.299
   25   1HB   ASN   4          1HB       ASN   4 -12.004   7.779   8.785
   26   2HB   ASN   4          2HB       ASN   4 -11.188   6.247   9.114
   27   1HD2  ASN   4          1HD2      ASN   4 -12.868   6.301  10.950
   28   2HD2  ASN   4          2HD2      ASN   4 -12.315   7.125  12.403
   29    HA   PRO   5           HA       PRO   5  -7.234   4.551   8.030
   30   1HB   PRO   5          1HB       PRO   5  -7.496   4.064   5.286
   31   2HB   PRO   5          2HB       PRO   5  -8.219   3.120   6.611
   32   1HG   PRO   5          1HG       PRO   5  -9.352   5.201   4.816
   33   2HG   PRO   5          2HG       PRO   5 -10.148   3.752   5.509
   34   1HD   PRO   5          1HD       PRO   5 -10.602   6.238   6.503
   35   2HD   PRO   5          2HD       PRO   5 -10.528   4.806   7.558
   36    H    CYS   6           H        CYS   6  -7.576   7.403   5.849
   37    HA   CYS   6           HA       CYS   6  -4.620   7.318   5.428
   38   1HB   CYS   6          1HB       CYS   6  -6.946   8.015   3.693
   39   2HB   CYS   6          2HB       CYS   6  -5.487   8.956   3.504
   40    H    GLU   7           H        GLU   7  -3.873   8.543   7.159
   41    HA   GLU   7           HA       GLU   7  -4.158  11.471   6.625
   42   1HB   GLU   7          1HB       GLU   7  -4.372  10.008   9.166
   43   2HB   GLU   7          2HB       GLU   7  -3.095  11.217   9.227
   44   1HG   GLU   7          1HG       GLU   7  -4.632  12.974   8.501
   45   2HG   GLU   7          2HG       GLU   7  -5.939  11.794   8.316
   46    H    CYS   8           H        CYS   8  -2.158   8.954   6.027
   47    HA   CYS   8           HA       CYS   8   0.282   9.777   7.274
   48   1HB   CYS   8          1HB       CYS   8  -0.642   7.644   5.374
   49   2HB   CYS   8          2HB       CYS   8   1.077   7.897   5.495
   50    HA   PRO   9           HA       PRO   9   2.226  12.276   4.255
   51   1HB   PRO   9          1HB       PRO   9   4.879  11.790   4.448
   52   2HB   PRO   9          2HB       PRO   9   3.954  12.365   5.865
   53   1HG   PRO   9          1HG       PRO   9   4.746   9.520   5.192
   54   2HG   PRO   9          2HG       PRO   9   4.917  10.374   6.755
   55   1HD   PRO   9          1HD       PRO   9   2.824   8.703   6.073
   56   2HD   PRO   9          2HD       PRO   9   2.684  10.005   7.267
   57    H    ARG  10           H        ARG  10   3.562  12.352   2.257
   58    HA   ARG  10           HA       ARG  10   3.117   9.971   0.566
   59   1HB   ARG  10          1HB       ARG  10   4.265  12.689  -0.212
   60   2HB   ARG  10          2HB       ARG  10   3.655  11.418  -1.277
   61   1HG   ARG  10          1HG       ARG  10   1.370  11.744  -0.059
   62   2HG   ARG  10          2HG       ARG  10   2.084  13.215   0.621
   63   1HD   ARG  10          1HD       ARG  10   0.845  13.883  -1.317
   64   2HD   ARG  10          2HD       ARG  10   2.555  14.012  -1.720
   65    HE   ARG  10           HE       ARG  10   2.388  12.262  -3.204
   66   1HH1  ARG  10          2HH2      ARG  10  -0.710  12.580  -1.520
   67   2HH1  ARG  10          1HH2      ARG  10  -1.550  11.446  -2.516
   68   1HH2  ARG  10          2HH1      ARG  10   1.303  10.717  -4.514
   69   2HH2  ARG  10          1HH1      ARG  10  -0.366  10.370  -4.265
   70    H    ALA  11           H        ALA  11   4.940   9.404   2.563
   71    HA   ALA  11           HA       ALA  11   7.597   9.588   1.699
   72   1HB   ALA  11          1HB       ALA  11   6.957   9.273   4.072
   73   2HB   ALA  11          2HB       ALA  11   6.262   7.682   3.667
   74   3HB   ALA  11          3HB       ALA  11   8.014   7.965   3.504
   75    H    LEU  12           H        LEU  12   8.547   8.439   0.059
   76    HA   LEU  12           HA       LEU  12   7.148   6.332  -1.321
   77   1HB   LEU  12          1HB       LEU  12   9.740   7.917  -1.551
   78   2HB   LEU  12          2HB       LEU  12   9.496   6.541  -2.570
   79    HG   LEU  12           HG       LEU  12   9.000   8.672  -3.592
   80   1HD1  LEU  12          1HD1      LEU  12   6.596   6.782  -3.550
   81   2HD1  LEU  12          2HD1      LEU  12   7.076   7.862  -4.876
   82   3HD1  LEU  12          3HD1      LEU  12   8.099   6.480  -4.449
   83   1HD2  LEU  12          1HD2      LEU  12   6.917   9.845  -3.303
   84   2HD2  LEU  12          2HD2      LEU  12   6.440   8.756  -1.990
   85   3HD2  LEU  12          3HD2      LEU  12   7.839   9.846  -1.799
   86    H    HIS  13           H        HIS  13   7.571   5.369   1.231
   87    HA   HIS  13           HA       HIS  13   9.899   3.508   1.129
   88   1HB   HIS  13          1HB       HIS  13   7.606   3.696   3.123
   89   2HB   HIS  13          2HB       HIS  13   8.998   2.614   3.232
   90    HD1  HIS  13           HD1      HIS  13   8.246   4.954   5.385
   91    HD2  HIS  13           HD2      HIS  13  11.208   4.999   2.391
   92    HE1  HIS  13           HE1      HIS  13   9.999   6.688   6.095
   93    H    ARG  14           H        ARG  14   9.042   2.897  -1.068
   94    HA   ARG  14           HA       ARG  14   6.561   1.802  -1.614
   95   1HB   ARG  14          1HB       ARG  14   9.301   1.149  -2.755
   96   2HB   ARG  14          2HB       ARG  14   7.827   0.468  -3.433
   97   1HG   ARG  14          1HG       ARG  14   7.996   3.470  -3.066
   98   2HG   ARG  14          2HG       ARG  14   8.841   2.710  -4.411
   99   1HD   ARG  14          1HD       ARG  14   5.894   2.179  -3.875
  100   2HD   ARG  14          2HD       ARG  14   6.448   3.518  -4.869
  101    HE   ARG  14           HE       ARG  14   6.695   0.633  -5.421
  102   1HH1  ARG  14          2HH2      ARG  14   7.366   4.005  -6.468
  103   2HH1  ARG  14          1HH2      ARG  14   7.876   3.564  -8.061
  104   1HH2  ARG  14          2HH1      ARG  14   7.459   0.134  -7.912
  105   2HH2  ARG  14          1HH1      ARG  14   7.959   1.486  -8.752
  106    H    VAL  15           H        VAL  15   5.429  -0.076  -1.209
  107    HA   VAL  15           HA       VAL  15   6.914  -2.371  -0.039
  108    HB   VAL  15           HB       VAL  15   5.407  -2.708   1.705
  109   1HG1  VAL  15          1HG1      VAL  15   5.816  -0.879   3.105
  110   2HG1  VAL  15          2HG1      VAL  15   7.119  -0.769   1.895
  111   3HG1  VAL  15          3HG1      VAL  15   5.677   0.267   1.767
  112   1HG2  VAL  15          1HG2      VAL  15   3.678  -0.351   0.792
  113   2HG2  VAL  15          2HG2      VAL  15   3.220  -2.061   0.620
  114   3HG2  VAL  15          3HG2      VAL  15   3.442  -1.406   2.212
  115    H    CYS  16           H        CYS  16   5.716  -4.403  -0.096
  116    HA   CYS  16           HA       CYS  16   3.732  -4.539  -2.289
  117   1HB   CYS  16          1HB       CYS  16   5.784  -5.779  -2.375
  118   2HB   CYS  16          2HB       CYS  16   5.500  -6.548  -0.862
  119    H    GLY  17           H        GLY  17   1.623  -5.066  -1.964
  120   1HA   GLY  17          1HA       GLY  17   0.801  -6.271   0.638
  121   2HA   GLY  17          2HA       GLY  17  -0.289  -5.605  -0.582
  122    H    SER  18           H        SER  18  -0.449  -8.179   0.431
  123    HA   SER  18           HA       SER  18   0.744 -10.236  -0.370
  124   1HB   SER  18          1HB       SER  18  -1.244 -11.563   0.050
  125   2HB   SER  18          2HB       SER  18  -1.268 -10.110   1.031
  126    HG   SER  18           HG       SER  18  -2.823 -10.513  -1.299
  127    H    ASP  19           H        ASP  19  -1.351  -8.802  -2.728
  128    HA   ASP  19           HA       ASP  19  -1.319 -10.946  -4.632
  129   1HB   ASP  19          1HB       ASP  19  -1.830  -7.981  -4.771
  130   2HB   ASP  19          2HB       ASP  19  -2.206  -9.040  -6.121
  131    H    GLY  20           H        GLY  20   1.341  -9.115  -3.663
  132   1HA   GLY  20          1HA       GLY  20   3.402  -8.715  -4.880
  133   2HA   GLY  20          2HA       GLY  20   2.578  -8.998  -6.396
  134    H    ASN  21           H        ASN  21   0.420  -7.245  -4.779
  135    HA   ASN  21           HA       ASN  21   0.565  -5.045  -6.475
  136   1HB   ASN  21          1HB       ASN  21  -1.407  -6.184  -5.600
  137   2HB   ASN  21          2HB       ASN  21  -1.144  -5.469  -3.990
  138   1HD2  ASN  21          1HD2      ASN  21  -3.512  -5.306  -5.556
  139   2HD2  ASN  21          2HD2      ASN  21  -3.680  -3.668  -6.159
  140    H    THR  22           H        THR  22   2.493  -3.873  -6.164
  141    HA   THR  22           HA       THR  22   3.371  -3.084  -3.641
  142    HB   THR  22           HB       THR  22   4.218  -2.195  -6.371
  143    HG1  THR  22           HG1      THR  22   4.379  -4.432  -5.577
  144   1HG2  THR  22          1HG2      THR  22   5.698  -1.795  -3.722
  145   2HG2  THR  22          2HG2      THR  22   6.278  -1.368  -5.327
  146   3HG2  THR  22          3HG2      THR  22   4.906  -0.494  -4.624
  147    H    TYR  23           H        TYR  23   3.290  -1.028  -2.598
  148    HA   TYR  23           HA       TYR  23   1.452   1.060  -3.603
  149   1HB   TYR  23          1HB       TYR  23   1.758  -0.092  -0.789
  150   2HB   TYR  23          2HB       TYR  23   0.932   1.395  -1.156
  151    HD1  TYR  23           HD1      TYR  23   0.796  -2.296  -1.516
  152    HD2  TYR  23           HD2      TYR  23  -1.332   1.417  -2.093
  153    HE1  TYR  23           HE1      TYR  23  -1.291  -3.558  -1.918
  154    HE2  TYR  23           HE2      TYR  23  -3.416   0.171  -2.482
  155    HH   TYR  23           HH       TYR  23  -4.333  -1.952  -2.860
  156    H    SER  24           H        SER  24   2.129   3.180  -2.837
  157    HA   SER  24           HA       SER  24   4.833   3.765  -2.797
  158   1HB   SER  24          1HB       SER  24   3.040   5.366  -3.359
  159   2HB   SER  24          2HB       SER  24   2.588   5.438  -1.645
  160    HG   SER  24           HG       SER  24   4.834   6.117  -1.282
  161    H    ASN  25           H        ASN  25   2.817   2.918   0.031
  162    HA   ASN  25           HA       ASN  25   5.063   2.568   1.701
  163   1HB   ASN  25          1HB       ASN  25   4.284   4.182   3.519
  164   2HB   ASN  25          2HB       ASN  25   5.137   4.872   2.177
  165   1HD2  ASN  25          1HD2      ASN  25   4.301   6.700   1.510
  166   2HD2  ASN  25          2HD2      ASN  25   2.687   7.307   1.928
  167    HA   PRO  26           HA       PRO  26   2.098  -0.175   3.281
  168   1HB   PRO  26          1HB       PRO  26   2.729  -0.584   5.909
  169   2HB   PRO  26          2HB       PRO  26   3.754  -1.149   4.550
  170   1HG   PRO  26          1HG       PRO  26   4.147   1.258   6.294
  171   2HG   PRO  26          2HG       PRO  26   5.373   0.120   5.653
  172   1HD   PRO  26          1HD       PRO  26   4.770   2.588   4.623
  173   2HD   PRO  26          2HD       PRO  26   5.490   1.291   3.658
  174    H    CYS  27           H        CYS  27   2.251   2.967   4.704
  175    HA   CYS  27           HA       CYS  27  -0.154   2.766   6.263
  176   1HB   CYS  27          1HB       CYS  27   1.646   4.632   6.293
  177   2HB   CYS  27          2HB       CYS  27   0.798   5.321   4.933
  178    H    MET  28           H        MET  28   0.494   3.879   2.879
  179    HA   MET  28           HA       MET  28  -2.219   4.218   2.148
  180   1HB   MET  28          1HB       MET  28   0.188   3.425   0.476
  181   2HB   MET  28          2HB       MET  28  -1.430   3.601  -0.194
  182   1HG   MET  28          1HG       MET  28  -1.547   5.922   0.720
  183   2HG   MET  28          2HG       MET  28   0.096   5.758   1.320
  184   1HE   MET  28          1HE       MET  28  -1.458   4.548  -2.182
  185   2HE   MET  28          2HE       MET  28  -2.267   6.051  -1.688
  186   3HE   MET  28          3HE       MET  28  -1.189   6.038  -3.104
  187    H    LEU  29           H        LEU  29  -0.329   1.168   2.119
  188    HA   LEU  29           HA       LEU  29  -2.375  -0.555   1.114
  189   1HB   LEU  29          1HB       LEU  29  -0.259  -1.357   1.239
  190   2HB   LEU  29          2HB       LEU  29  -0.025  -0.965   2.962
  191    HG   LEU  29           HG       LEU  29  -1.512  -3.178   1.807
  192   1HD1  LEU  29          1HD1      LEU  29   1.221  -3.140   3.062
  193   2HD1  LEU  29          2HD1      LEU  29   0.356  -4.610   2.558
  194   3HD1  LEU  29          3HD1      LEU  29   0.835  -3.415   1.354
  195   1HD2  LEU  29          1HD2      LEU  29  -0.840  -2.602   4.729
  196   2HD2  LEU  29          2HD2      LEU  29  -2.460  -2.909   4.037
  197   3HD2  LEU  29          3HD2      LEU  29  -1.298  -4.215   4.170
  198    H    THR  30           H        THR  30  -1.424  -0.147   4.520
  199    HA   THR  30           HA       THR  30  -3.710  -1.465   5.475
  200    HB   THR  30           HB       THR  30  -1.465  -0.506   6.595
  201    HG1  THR  30           HG1      THR  30  -2.245  -1.439   8.443
  202   1HG2  THR  30          1HG2      THR  30  -2.359   1.760   6.790
  203   2HG2  THR  30          2HG2      THR  30  -3.671   1.150   7.823
  204   3HG2  THR  30          3HG2      THR  30  -1.971   1.035   8.365
  205    H    CYS  31           H        CYS  31  -3.381   2.064   4.844
  206    HA   CYS  31           HA       CYS  31  -5.775   2.925   5.690
  207   1HB   CYS  31          1HB       CYS  31  -4.291   4.563   4.830
  208   2HB   CYS  31          2HB       CYS  31  -4.081   3.713   3.312
  209    H    ALA  32           H        ALA  32  -5.078   1.940   2.335
  210    HA   ALA  32           HA       ALA  32  -7.585   1.613   1.157
  211   1HB   ALA  32          1HB       ALA  32  -5.178  -0.186   0.885
  212   2HB   ALA  32          2HB       ALA  32  -6.554  -0.074  -0.217
  213   3HB   ALA  32          3HB       ALA  32  -5.464   1.334   0.010
  214    H    LYS  33           H        LYS  33  -5.849  -0.711   3.127
  215    HA   LYS  33           HA       LYS  33  -7.645  -2.892   2.965
  216   1HB   LYS  33          1HB       LYS  33  -5.283  -2.881   3.906
  217   2HB   LYS  33          2HB       LYS  33  -5.974  -2.246   5.398
  218   1HG   LYS  33          1HG       LYS  33  -7.519  -4.160   5.528
  219   2HG   LYS  33          2HG       LYS  33  -6.816  -4.817   4.039
  220   1HD   LYS  33          1HD       LYS  33  -4.768  -5.275   4.935
  221   2HD   LYS  33          2HD       LYS  33  -4.988  -4.239   6.276
  222   1HE   LYS  33          1HE       LYS  33  -6.732  -6.655   5.711
  223   2HE   LYS  33          2HE       LYS  33  -5.278  -6.770   6.703
  224   1HZ   LYS  33          1HZ       LYS  33  -6.325  -5.195   8.252
  225   2HZ   LYS  33          2HZ       LYS  33  -7.661  -5.116   7.286
  226   3HZ   LYS  33          3HZ       LYS  33  -7.281  -6.523   8.038
  227    H    HIS  34           H        HIS  34  -7.404  -0.535   5.643
  228    HA   HIS  34           HA       HIS  34  -9.961  -1.315   6.761
  229   1HB   HIS  34          1HB       HIS  34  -7.731   0.462   7.465
  230   2HB   HIS  34          2HB       HIS  34  -9.272   1.261   7.716
  231    HD1  HIS  34           HD1      HIS  34 -11.111  -0.283   9.208
  232    HD2  HIS  34           HD2      HIS  34  -7.001  -1.193   9.386
  233    HE1  HIS  34           HE1      HIS  34 -10.763  -1.725  11.304
  234    H    GLU  35           H        GLU  35  -9.095   0.786   4.095
  235    HA   GLU  35           HA       GLU  35 -11.461   2.385   4.386
  236   1HB   GLU  35          1HB       GLU  35  -9.139   2.848   3.195
  237   2HB   GLU  35          2HB       GLU  35  -9.970   2.209   1.799
  238   1HG   GLU  35          1HG       GLU  35 -11.399   4.356   3.221
  239   2HG   GLU  35          2HG       GLU  35  -9.814   4.809   2.666
  240    H    GLY  36           H        GLY  36 -10.481  -0.118   1.966
  241   1HA   GLY  36          1HA       GLY  36 -13.163  -1.291   1.963
  242   2HA   GLY  36          2HA       GLY  36 -12.768  -0.377   0.501
  243    H    ASN  37           H        ASN  37 -10.278  -2.264   2.309
  244    HA   ASN  37           HA       ASN  37 -10.455  -4.426   0.238
  245   1HB   ASN  37          1HB       ASN  37  -8.553  -2.543  -0.150
  246   2HB   ASN  37          2HB       ASN  37  -7.738  -3.403   1.056
  247   1HD2  ASN  37          1HD2      ASN  37  -6.798  -3.215  -1.528
  248   2HD2  ASN  37          2HD2      ASN  37  -6.761  -4.860  -2.156
  249    HA   PRO  38           HA       PRO  38 -10.116  -5.745   4.710
  250   1HB   PRO  38          1HB       PRO  38 -12.088  -7.697   4.701
  251   2HB   PRO  38          2HB       PRO  38 -12.382  -5.968   5.055
  252   1HG   PRO  38          1HG       PRO  38 -12.765  -7.428   2.427
  253   2HG   PRO  38          2HG       PRO  38 -13.881  -6.276   3.228
  254   1HD   PRO  38          1HD       PRO  38 -12.213  -5.508   1.217
  255   2HD   PRO  38          2HD       PRO  38 -12.570  -4.419   2.593
  256    H    ASP  39           H        ASP  39 -10.114  -7.324   1.649
  257    HA   ASP  39           HA       ASP  39  -8.905  -9.840   2.288
  258   1HB   ASP  39          1HB       ASP  39  -9.717  -8.162  -0.081
  259   2HB   ASP  39          2HB       ASP  39  -8.475  -9.354  -0.353
  260    H    LEU  40           H        LEU  40  -7.556  -6.601   1.905
  261    HA   LEU  40           HA       LEU  40  -4.923  -7.475   0.906
  262   1HB   LEU  40          1HB       LEU  40  -5.579  -5.291   0.225
  263   2HB   LEU  40          2HB       LEU  40  -6.291  -4.923   1.801
  264    HG   LEU  40           HG       LEU  40  -4.276  -4.607   2.808
  265   1HD1  LEU  40          1HD1      LEU  40  -2.503  -4.449   0.472
  266   2HD1  LEU  40          2HD1      LEU  40  -2.252  -5.115   2.133
  267   3HD1  LEU  40          3HD1      LEU  40  -3.014  -6.084   0.869
  268   1HD2  LEU  40          1HD2      LEU  40  -3.517  -2.528   1.674
  269   2HD2  LEU  40          2HD2      LEU  40  -4.317  -3.040   0.176
  270   3HD2  LEU  40          3HD2      LEU  40  -5.272  -2.663   1.612
  271    H    VAL  41           H        VAL  41  -3.027  -7.423   2.218
  272    HA   VAL  41           HA       VAL  41  -3.353  -7.198   5.104
  273    HB   VAL  41           HB       VAL  41  -2.278  -9.379   5.443
  274   1HG1  VAL  41          1HG1      VAL  41  -4.171 -10.791   5.193
  275   2HG1  VAL  41          2HG1      VAL  41  -4.760  -9.155   5.561
  276   3HG1  VAL  41          3HG1      VAL  41  -4.835  -9.795   3.894
  277   1HG2  VAL  41          1HG2      VAL  41  -2.204 -11.095   3.706
  278   2HG2  VAL  41          2HG2      VAL  41  -2.841  -9.954   2.513
  279   3HG2  VAL  41          3HG2      VAL  41  -1.221  -9.712   3.236
  280    H    GLN  42           H        GLN  42  -1.322  -6.932   6.171
  281    HA   GLN  42           HA       GLN  42   0.929  -6.038   4.547
  282   1HB   GLN  42          1HB       GLN  42   0.230  -5.095   6.869
  283   2HB   GLN  42          2HB       GLN  42   0.919  -6.557   7.551
  284   1HG   GLN  42          1HG       GLN  42   2.767  -5.125   7.608
  285   2HG   GLN  42          2HG       GLN  42   3.057  -5.943   6.080
  286   1HE2  GLN  42          1HE2      GLN  42   3.718  -4.439   4.449
  287   2HE2  GLN  42          2HE2      GLN  42   3.059  -2.813   4.398
  288    H    VAL  43           H        VAL  43   1.266  -7.978   3.307
  289    HA   VAL  43           HA       VAL  43   2.101 -10.417   4.367
  290    HB   VAL  43           HB       VAL  43   3.580 -10.401   2.175
  291   1HG1  VAL  43          1HG1      VAL  43   0.562 -10.394   1.960
  292   2HG1  VAL  43          2HG1      VAL  43   1.748 -11.309   0.976
  293   3HG1  VAL  43          3HG1      VAL  43   1.490 -11.739   2.648
  294   1HG2  VAL  43          1HG2      VAL  43   3.278  -7.976   1.659
  295   2HG2  VAL  43          2HG2      VAL  43   2.599  -9.003   0.395
  296   3HG2  VAL  43          3HG2      VAL  43   1.524  -8.210   1.560
  297    H    HIS  44           H        HIS  44   3.977  -7.459   3.473
  298    HA   HIS  44           HA       HIS  44   5.717  -7.635   5.698
  299   1HB   HIS  44          1HB       HIS  44   6.728  -9.380   4.114
  300   2HB   HIS  44          2HB       HIS  44   6.982  -8.070   2.956
  301    HD1  HIS  44           HD1      HIS  44   7.760  -8.009   6.773
  302    HD2  HIS  44           HD2      HIS  44   9.605  -7.748   2.993
  303    HE1  HIS  44           HE1      HIS  44  10.173  -7.258   7.174
  304    H    GLU  45           H        GLU  45   7.688  -5.951   4.877
  305    HA   GLU  45           HA       GLU  45   6.492  -3.569   3.615
  306   1HB   GLU  45          1HB       GLU  45   7.851  -3.560   5.913
  307   2HB   GLU  45          2HB       GLU  45   9.258  -3.688   4.850
  308   1HG   GLU  45          1HG       GLU  45   8.388  -1.631   3.630
  309   2HG   GLU  45          2HG       GLU  45   7.075  -1.546   4.814
  310    H    GLY  46           H        GLY  46   8.669  -2.611   2.230
  311   1HA   GLY  46          1HA       GLY  46  10.174  -2.903   0.542
  312   2HA   GLY  46          2HA       GLY  46  10.234  -4.635   0.893
  313    HA   PRO  47           HA       PRO  47   7.177  -3.574  -2.628
  314   1HB   PRO  47          1HB       PRO  47   8.445  -2.750  -4.840
  315   2HB   PRO  47          2HB       PRO  47   8.210  -1.656  -3.451
  316   1HG   PRO  47          1HG       PRO  47  10.707  -3.251  -4.118
  317   2HG   PRO  47          2HG       PRO  47  10.579  -1.503  -3.730
  318   1HD   PRO  47          1HD       PRO  47  11.171  -3.434  -1.839
  319   2HD   PRO  47          2HD       PRO  47  10.296  -1.926  -1.455
  320    H    CYS  48           H        CYS  48   6.427  -5.073  -4.103
  321    HA   CYS  48           HA       CYS  48   8.173  -7.421  -4.715
  322   1HB   CYS  48          1HB       CYS  48   5.235  -6.874  -5.191
  323   2HB   CYS  48          2HB       CYS  48   6.094  -8.270  -5.827
  324    H    ASP  49           H        ASP  49   6.516  -4.675  -6.302
  325    HA   ASP  49           HA       ASP  49   7.356  -5.177  -8.914
  326   1HB   ASP  49          1HB       ASP  49   5.606  -3.616  -8.525
  327   2HB   ASP  49          2HB       ASP  49   6.552  -2.766  -7.292
  328    H    GLU  50           H        GLU  50   9.321  -4.545  -9.978
  329    HA   GLU  50           HA       GLU  50  11.161  -2.775  -8.694
  330   1HB   GLU  50          1HB       GLU  50  11.625  -5.393  -7.991
  331   2HB   GLU  50          2HB       GLU  50  12.475  -5.346  -9.541
  332   1HG   GLU  50          1HG       GLU  50  13.651  -3.230  -8.690
  333   2HG   GLU  50          2HG       GLU  50  12.890  -3.534  -7.122
  334    H    HIS  51           H        HIS  51  12.047  -1.611 -10.394
  335    HA   HIS  51           HA       HIS  51  12.310  -2.760 -13.038
  336   1HB   HIS  51          1HB       HIS  51   9.838  -1.993 -12.792
  337   2HB   HIS  51          2HB       HIS  51  10.452  -0.349 -12.846
  338    HD1  HIS  51           HD1      HIS  51  12.148   0.004 -15.231
  339    HD2  HIS  51           HD2      HIS  51   9.312  -3.109 -15.029
  340    HE1  HIS  51           HE1      HIS  51  11.751  -0.794 -17.631
  341    H    ASP  52           H        ASP  52  11.894   0.590 -11.656
  342    HA   ASP  52           HA       ASP  52  14.544   0.997 -11.013
  343   1HB   ASP  52          1HB       ASP  52  14.454   1.268 -13.727
  344   2HB   ASP  52          2HB       ASP  52  13.822   2.846 -13.286
  345    H    HIS  53           H        HIS  53  14.688   3.506 -10.572
  346    HA   HIS  53           HA       HIS  53  12.032   4.460  -9.558
  347   1HB   HIS  53          1HB       HIS  53  13.575   3.840  -7.747
  348   2HB   HIS  53          2HB       HIS  53  14.741   5.027  -8.330
  349    HD1  HIS  53           HD1      HIS  53  10.993   5.105  -7.241
  350    HD2  HIS  53           HD2      HIS  53  14.557   7.332  -7.120
  351    HE1  HIS  53           HE1      HIS  53  10.493   7.224  -5.882
  352    H    ASP  54           H        ASP  54  11.918   5.123 -11.908
  353    HA   ASP  54           HA       ASP  54  13.297   7.500 -12.764
  354   1HB   ASP  54          1HB       ASP  54  10.571   6.331 -13.480
  355   2HB   ASP  54          2HB       ASP  54  11.307   7.709 -14.298
  356    H    PHE  55           H        PHE  55  12.279   9.743 -12.894
  357    HA   PHE  55           HA       PHE  55   9.996  10.338 -11.291
  358   1HB   PHE  55          2HB       PHE  55  12.264  10.241  -9.797
  359   2HB   PHE  55          1HB       PHE  55  12.490  11.833 -10.494
  360    HD1  PHE  55           HD1      PHE  55  10.411  13.483 -10.271
  361    HD2  PHE  55           HD2      PHE  55  10.952   9.928  -7.895
  362    HE1  PHE  55           HE1      PHE  55   8.872  14.399  -8.549
  363    HE2  PHE  55           HE2      PHE  55   9.431  10.848  -6.165
  364    HZ   PHE  55           HZ       PHE  55   8.384  13.086  -6.489
  Start of MODEL    9
    1   1H    PHE   1          1H        PHE   1 -15.508   4.875   5.225
    2   2H    PHE   1          2H        PHE   1 -14.958   6.410   4.907
    3   3H    PHE   1          3H        PHE   1 -15.695   5.531   3.724
    4    HA   PHE   1           HA       PHE   1 -13.052   4.907   4.886
    5   1HB   PHE   1          2HB       PHE   1 -13.757   3.345   2.570
    6   2HB   PHE   1          1HB       PHE   1 -13.179   2.916   4.162
    7    HD1  PHE   1           HD1      PHE   1 -14.591   2.091   5.943
    8    HD2  PHE   1           HD2      PHE   1 -16.239   3.337   2.150
    9    HE1  PHE   1           HE1      PHE   1 -16.803   1.183   6.599
   10    HE2  PHE   1           HE2      PHE   1 -18.449   2.423   2.816
   11    HZ   PHE   1           HZ       PHE   1 -18.736   1.356   5.044
   12    H    GLN   2           H        GLN   2 -11.796   6.522   4.123
   13    HA   GLN   2           HA       GLN   2 -10.978   6.573   1.602
   14   1HB   GLN   2          1HB       GLN   2 -13.292   8.351   1.683
   15   2HB   GLN   2          2HB       GLN   2 -11.854   9.315   1.477
   16   1HG   GLN   2          1HG       GLN   2 -12.073   8.952  -0.679
   17   2HG   GLN   2          2HG       GLN   2 -11.301   7.407  -0.386
   18   1HE2  GLN   2          1HE2      GLN   2 -12.565   5.489  -0.749
   19   2HE2  GLN   2          2HE2      GLN   2 -14.227   5.594  -1.339
   20    H    GLY   3           H        GLY   3 -11.533   9.533   3.527
   21   1HA   GLY   3          1HA       GLY   3  -8.699  10.030   3.664
   22   2HA   GLY   3          2HA       GLY   3  -9.986  11.043   4.322
   23    H    ASN   4           H        ASN   4 -11.033   8.750   6.045
   24    HA   ASN   4           HA       ASN   4  -9.317   9.202   8.271
   25   1HB   ASN   4          1HB       ASN   4 -11.881   8.343   8.158
   26   2HB   ASN   4          2HB       ASN   4 -11.078   6.808   8.513
   27   1HD2  ASN   4          1HD2      ASN   4  -8.873   7.754  10.125
   28   2HD2  ASN   4          2HD2      ASN   4  -9.606   8.410  11.591
   29    HA   PRO   5           HA       PRO   5  -7.177   5.000   7.420
   30   1HB   PRO   5          1HB       PRO   5  -7.444   4.029   4.857
   31   2HB   PRO   5          2HB       PRO   5  -8.310   3.418   6.293
   32   1HG   PRO   5          1HG       PRO   5  -9.199   5.192   4.073
   33   2HG   PRO   5          2HG       PRO   5 -10.128   3.950   4.959
   34   1HD   PRO   5          1HD       PRO   5 -10.372   6.641   5.473
   35   2HD   PRO   5          2HD       PRO   5 -10.598   5.395   6.727
   36    H    CYS   6           H        CYS   6  -7.585   7.067   4.386
   37    HA   CYS   6           HA       CYS   6  -4.632   7.176   4.270
   38   1HB   CYS   6          1HB       CYS   6  -6.825   7.872   2.349
   39   2HB   CYS   6          2HB       CYS   6  -5.232   8.590   2.178
   40    H    GLU   7           H        GLU   7  -4.569   8.304   6.360
   41    HA   GLU   7           HA       GLU   7  -4.062  11.101   5.571
   42   1HB   GLU   7          1HB       GLU   7  -6.004  10.812   7.360
   43   2HB   GLU   7          2HB       GLU   7  -4.673  10.553   8.482
   44   1HG   GLU   7          1HG       GLU   7  -5.167  12.971   6.685
   45   2HG   GLU   7          2HG       GLU   7  -5.357  12.912   8.434
   46    H    CYS   8           H        CYS   8  -1.885  10.964   5.227
   47    HA   CYS   8           HA       CYS   8  -0.016  10.066   7.107
   48   1HB   CYS   8          1HB       CYS   8  -1.212   7.954   5.540
   49   2HB   CYS   8          2HB       CYS   8   0.440   8.154   4.975
   50    HA   PRO   9           HA       PRO   9   2.356  12.434   4.271
   51   1HB   PRO   9          1HB       PRO   9   4.937  11.613   4.501
   52   2HB   PRO   9          2HB       PRO   9   4.044  12.309   5.889
   53   1HG   PRO   9          1HG       PRO   9   4.515   9.379   5.255
   54   2HG   PRO   9          2HG       PRO   9   4.721  10.222   6.821
   55   1HD   PRO   9          1HD       PRO   9   2.469   8.806   6.100
   56   2HD   PRO   9          2HD       PRO   9   2.420  10.183   7.234
   57    H    ARG  10           H        ARG  10   3.454  12.514   2.208
   58    HA   ARG  10           HA       ARG  10   3.043  10.198   0.443
   59   1HB   ARG  10          1HB       ARG  10   4.243  12.971  -0.017
   60   2HB   ARG  10          2HB       ARG  10   3.980  11.767  -1.284
   61   1HG   ARG  10          1HG       ARG  10   1.577  11.862  -1.017
   62   2HG   ARG  10          2HG       ARG  10   1.715  12.898   0.411
   63   1HD   ARG  10          1HD       ARG  10   1.108  14.234  -1.540
   64   2HD   ARG  10          2HD       ARG  10   2.702  14.695  -0.915
   65    HE   ARG  10           HE       ARG  10   2.851  12.708  -3.008
   66   1HH1  ARG  10          2HH2      ARG  10   2.495  16.182  -2.487
   67   2HH1  ARG  10          1HH2      ARG  10   3.232  16.653  -3.980
   68   1HH2  ARG  10          2HH1      ARG  10   3.844  13.302  -5.009
   69   2HH2  ARG  10          1HH1      ARG  10   4.001  14.960  -5.450
   70    H    ALA  11           H        ALA  11   4.752   9.480   2.491
   71    HA   ALA  11           HA       ALA  11   7.465   9.616   1.825
   72   1HB   ALA  11          1HB       ALA  11   5.901   7.732   3.637
   73   2HB   ALA  11          2HB       ALA  11   7.672   7.862   3.574
   74   3HB   ALA  11          3HB       ALA  11   6.711   9.242   4.126
   75    H    LEU  12           H        LEU  12   8.516   8.485   0.232
   76    HA   LEU  12           HA       LEU  12   7.264   6.291  -1.185
   77   1HB   LEU  12          1HB       LEU  12   9.769   8.006  -1.309
   78   2HB   LEU  12          2HB       LEU  12   9.689   6.564  -2.271
   79    HG   LEU  12           HG       LEU  12   9.097   8.649  -3.403
   80   1HD1  LEU  12          1HD1      LEU  12   7.289   7.643  -4.764
   81   2HD1  LEU  12          2HD1      LEU  12   8.478   6.413  -4.310
   82   3HD1  LEU  12          3HD1      LEU  12   6.922   6.500  -3.457
   83   1HD2  LEU  12          1HD2      LEU  12   7.716   9.787  -1.779
   84   2HD2  LEU  12          2HD2      LEU  12   6.885   9.613  -3.326
   85   3HD2  LEU  12          3HD2      LEU  12   6.435   8.562  -1.973
   86    H    HIS  13           H        HIS  13   7.492   5.433   1.412
   87    HA   HIS  13           HA       HIS  13   9.962   3.796   1.717
   88   1HB   HIS  13          1HB       HIS  13   7.542   4.126   3.537
   89   2HB   HIS  13          2HB       HIS  13   8.993   3.191   3.902
   90    HD1  HIS  13           HD1      HIS  13  10.919   5.729   2.688
   91    HD2  HIS  13           HD2      HIS  13   8.019   5.641   5.744
   92    HE1  HIS  13           HE1      HIS  13  11.426   7.694   4.246
   93    H    ARG  14           H        ARG  14   9.104   2.907  -0.465
   94    HA   ARG  14           HA       ARG  14   6.738   1.659  -0.876
   95   1HB   ARG  14          1HB       ARG  14   9.485   1.111  -2.032
   96   2HB   ARG  14          2HB       ARG  14   8.083   0.172  -2.563
   97   1HG   ARG  14          1HG       ARG  14   6.891   2.138  -3.278
   98   2HG   ARG  14          2HG       ARG  14   8.130   3.211  -2.606
   99   1HD   ARG  14          1HD       ARG  14   8.330   2.979  -5.041
  100   2HD   ARG  14          2HD       ARG  14   9.781   2.430  -4.187
  101    HE   ARG  14           HE       ARG  14   8.275   0.128  -4.552
  102   1HH1  ARG  14          2HH2      ARG  14   9.635   2.678  -6.620
  103   2HH1  ARG  14          1HH2      ARG  14  10.031   1.637  -7.963
  104   1HH2  ARG  14          2HH1      ARG  14   8.898  -1.380  -6.565
  105   2HH2  ARG  14          1HH1      ARG  14   9.503  -0.495  -7.905
  106    H    VAL  15           H        VAL  15   5.706  -0.245  -0.751
  107    HA   VAL  15           HA       VAL  15   7.033  -2.631   0.355
  108    HB   VAL  15           HB       VAL  15   5.372  -2.949   2.034
  109   1HG1  VAL  15          1HG1      VAL  15   6.261  -0.095   2.272
  110   2HG1  VAL  15          2HG1      VAL  15   5.898  -1.223   3.583
  111   3HG1  VAL  15          3HG1      VAL  15   7.329  -1.491   2.552
  112   1HG2  VAL  15          1HG2      VAL  15   3.372  -1.897   0.933
  113   2HG2  VAL  15          2HG2      VAL  15   3.621  -1.361   2.573
  114   3HG2  VAL  15          3HG2      VAL  15   4.084  -0.297   1.221
  115    H    CYS  16           H        CYS  16   5.217  -4.547   0.337
  116    HA   CYS  16           HA       CYS  16   3.309  -4.015  -1.891
  117   1HB   CYS  16          1HB       CYS  16   5.156  -5.285  -2.639
  118   2HB   CYS  16          2HB       CYS  16   5.029  -6.433  -1.301
  119    H    GLY  17           H        GLY  17   1.334  -4.903  -1.819
  120   1HA   GLY  17          1HA       GLY  17   0.493  -6.132   0.757
  121   2HA   GLY  17          2HA       GLY  17  -0.588  -5.432  -0.423
  122    H    SER  18           H        SER  18  -0.707  -7.988   0.675
  123    HA   SER  18           HA       SER  18  -0.069 -10.124  -0.850
  124   1HB   SER  18          1HB       SER  18  -1.962 -11.232   0.163
  125   2HB   SER  18          2HB       SER  18  -1.390 -10.012   1.265
  126    HG   SER  18           HG       SER  18  -3.832 -10.119   0.215
  127    H    ASP  19           H        ASP  19  -2.075  -7.599  -1.992
  128    HA   ASP  19           HA       ASP  19  -3.336  -8.795  -4.170
  129   1HB   ASP  19          1HB       ASP  19  -2.071  -6.034  -4.078
  130   2HB   ASP  19          2HB       ASP  19  -3.543  -6.472  -4.933
  131    H    GLY  20           H        GLY  20   0.139  -8.352  -3.626
  132   1HA   GLY  20          1HA       GLY  20   1.916  -8.736  -4.999
  133   2HA   GLY  20          2HA       GLY  20   0.864  -8.789  -6.424
  134    H    ASN  21           H        ASN  21  -0.303  -6.185  -4.766
  135    HA   ASN  21           HA       ASN  21   0.795  -4.421  -6.638
  136   1HB   ASN  21          1HB       ASN  21  -1.654  -4.635  -5.833
  137   2HB   ASN  21          2HB       ASN  21  -1.147  -3.660  -4.440
  138   1HD2  ASN  21          1HD2      ASN  21  -3.158  -2.708  -6.032
  139   2HD2  ASN  21          2HD2      ASN  21  -2.544  -1.449  -7.095
  140    H    THR  22           H        THR  22   2.847  -3.388  -6.182
  141    HA   THR  22           HA       THR  22   3.616  -2.925  -3.545
  142    HB   THR  22           HB       THR  22   4.548  -1.498  -6.032
  143    HG1  THR  22           HG1      THR  22   4.812  -3.574  -6.304
  144   1HG2  THR  22          1HG2      THR  22   5.326  -0.378  -3.864
  145   2HG2  THR  22          2HG2      THR  22   6.093  -1.918  -3.442
  146   3HG2  THR  22          3HG2      THR  22   6.619  -1.051  -4.874
  147    H    TYR  23           H        TYR  23   3.525  -1.015  -2.266
  148    HA   TYR  23           HA       TYR  23   1.672   1.153  -3.104
  149   1HB   TYR  23          1HB       TYR  23   1.980  -0.261  -0.416
  150   2HB   TYR  23          2HB       TYR  23   1.238   1.309  -0.594
  151    HD1  TYR  23           HD1      TYR  23  -0.990   1.598  -1.496
  152    HD2  TYR  23           HD2      TYR  23   0.816  -2.314  -1.337
  153    HE1  TYR  23           HE1      TYR  23  -3.200   0.577  -1.871
  154    HE2  TYR  23           HE2      TYR  23  -1.411  -3.356  -1.720
  155    HH   TYR  23           HH       TYR  23  -4.347  -1.389  -2.299
  156    H    SER  24           H        SER  24   2.476   3.252  -2.561
  157    HA   SER  24           HA       SER  24   5.199   3.603  -2.540
  158   1HB   SER  24          1HB       SER  24   3.246   5.612  -1.405
  159   2HB   SER  24          2HB       SER  24   4.725   5.916  -2.325
  160    HG   SER  24           HG       SER  24   2.767   6.120  -3.569
  161    H    ASN  25           H        ASN  25   3.130   2.980   0.233
  162    HA   ASN  25           HA       ASN  25   5.316   2.619   1.982
  163   1HB   ASN  25          1HB       ASN  25   4.515   4.295   3.729
  164   2HB   ASN  25          2HB       ASN  25   5.287   5.001   2.337
  165   1HD2  ASN  25          1HD2      ASN  25   4.209   6.709   1.452
  166   2HD2  ASN  25          2HD2      ASN  25   2.519   7.109   1.806
  167    HA   PRO  26           HA       PRO  26   2.260  -0.117   3.481
  168   1HB   PRO  26          1HB       PRO  26   2.791  -0.513   6.128
  169   2HB   PRO  26          2HB       PRO  26   3.874  -1.046   4.813
  170   1HG   PRO  26          1HG       PRO  26   4.128   1.434   6.490
  171   2HG   PRO  26          2HG       PRO  26   5.395   0.243   6.031
  172   1HD   PRO  26          1HD       PRO  26   5.033   2.599   4.733
  173   2HD   PRO  26          2HD       PRO  26   5.598   1.145   3.893
  174    H    CYS  27           H        CYS  27   2.257   3.109   4.701
  175    HA   CYS  27           HA       CYS  27  -0.178   2.946   6.223
  176   1HB   CYS  27          1HB       CYS  27   1.696   4.800   6.137
  177   2HB   CYS  27          2HB       CYS  27   0.719   5.466   4.837
  178    H    MET  28           H        MET  28   0.617   3.721   2.798
  179    HA   MET  28           HA       MET  28  -2.103   4.180   1.993
  180   1HB   MET  28          1HB       MET  28   0.330   3.295   0.407
  181   2HB   MET  28          2HB       MET  28  -1.263   3.586  -0.315
  182   1HG   MET  28          1HG       MET  28  -1.287   5.882   0.500
  183   2HG   MET  28          2HG       MET  28   0.248   5.637   1.328
  184   1HE   MET  28          1HE       MET  28  -1.563   5.914  -2.148
  185   2HE   MET  28          2HE       MET  28  -0.204   5.836  -3.293
  186   3HE   MET  28          3HE       MET  28  -0.686   4.383  -2.398
  187    H    LEU  29           H        LEU  29  -0.207   1.138   2.136
  188    HA   LEU  29           HA       LEU  29  -2.205  -0.626   1.129
  189   1HB   LEU  29          1HB       LEU  29  -0.200  -1.491   1.288
  190   2HB   LEU  29          2HB       LEU  29   0.233  -0.854   2.852
  191    HG   LEU  29           HG       LEU  29  -1.712  -3.090   2.658
  192   1HD1  LEU  29          1HD1      LEU  29   1.328  -3.216   2.511
  193   2HD1  LEU  29          2HD1      LEU  29   0.290  -4.640   2.694
  194   3HD1  LEU  29          3HD1      LEU  29   0.215  -3.675   1.218
  195   1HD2  LEU  29          1HD2      LEU  29   0.151  -2.140   4.817
  196   2HD2  LEU  29          2HD2      LEU  29  -1.568  -2.611   4.917
  197   3HD2  LEU  29          3HD2      LEU  29  -0.335  -3.837   4.743
  198    H    THR  30           H        THR  30  -1.312  -0.057   4.502
  199    HA   THR  30           HA       THR  30  -3.617  -1.362   5.479
  200    HB   THR  30           HB       THR  30  -1.482  -0.452   6.695
  201    HG1  THR  30           HG1      THR  30  -2.502  -0.979   8.601
  202   1HG2  THR  30          1HG2      THR  30  -2.156   1.881   6.501
  203   2HG2  THR  30          2HG2      THR  30  -3.552   1.563   7.557
  204   3HG2  THR  30          3HG2      THR  30  -1.886   1.364   8.179
  205    H    CYS  31           H        CYS  31  -3.299   2.148   4.594
  206    HA   CYS  31           HA       CYS  31  -5.726   2.938   5.371
  207   1HB   CYS  31          1HB       CYS  31  -4.480   4.678   4.390
  208   2HB   CYS  31          2HB       CYS  31  -3.976   3.680   3.042
  209    H    ALA  32           H        ALA  32  -4.959   1.766   2.078
  210    HA   ALA  32           HA       ALA  32  -7.408   1.323   0.922
  211   1HB   ALA  32          1HB       ALA  32  -6.332  -0.407  -0.375
  212   2HB   ALA  32          2HB       ALA  32  -5.231   0.992  -0.142
  213   3HB   ALA  32          3HB       ALA  32  -4.998  -0.507   0.784
  214    H    LYS  33           H        LYS  33  -5.711  -0.787   3.065
  215    HA   LYS  33           HA       LYS  33  -7.330  -3.118   2.981
  216   1HB   LYS  33          1HB       LYS  33  -5.012  -2.919   3.947
  217   2HB   LYS  33          2HB       LYS  33  -5.732  -2.168   5.372
  218   1HG   LYS  33          1HG       LYS  33  -7.099  -4.111   5.801
  219   2HG   LYS  33          2HG       LYS  33  -6.531  -4.885   4.307
  220   1HD   LYS  33          1HD       LYS  33  -4.345  -5.159   5.065
  221   2HD   LYS  33          2HD       LYS  33  -4.535  -4.102   6.391
  222   1HE   LYS  33          1HE       LYS  33  -6.259  -6.563   6.018
  223   2HE   LYS  33          2HE       LYS  33  -4.700  -6.656   6.828
  224   1HZ   LYS  33          1HZ       LYS  33  -5.566  -5.070   8.483
  225   2HZ   LYS  33          2HZ       LYS  33  -7.016  -5.028   7.704
  226   3HZ   LYS  33          3HZ       LYS  33  -6.510  -6.423   8.410
  227    H    HIS  34           H        HIS  34  -7.292  -0.599   5.463
  228    HA   HIS  34           HA       HIS  34  -9.751  -1.429   6.729
  229   1HB   HIS  34          1HB       HIS  34  -8.036   1.091   6.774
  230   2HB   HIS  34          2HB       HIS  34  -9.466   0.881   7.745
  231    HD1  HIS  34           HD1      HIS  34  -5.857  -0.213   7.438
  232    HD2  HIS  34           HD2      HIS  34  -9.265  -1.213   9.695
  233    HE1  HIS  34           HE1      HIS  34  -5.050  -1.706   9.367
  234    H    GLU  35           H        GLU  35  -8.930   0.724   4.096
  235    HA   GLU  35           HA       GLU  35 -11.376   2.146   4.095
  236   1HB   GLU  35          1HB       GLU  35  -9.128   2.695   2.923
  237   2HB   GLU  35          2HB       GLU  35  -9.789   1.827   1.556
  238   1HG   GLU  35          1HG       GLU  35 -11.373   4.031   2.828
  239   2HG   GLU  35          2HG       GLU  35  -9.937   4.457   1.934
  240    H    GLY  36           H        GLY  36 -10.329  -0.523   1.923
  241   1HA   GLY  36          1HA       GLY  36 -12.985  -1.746   1.961
  242   2HA   GLY  36          2HA       GLY  36 -12.604  -0.920   0.449
  243    H    ASN  37           H        ASN  37  -9.955  -2.523   2.236
  244    HA   ASN  37           HA       ASN  37 -10.097  -4.837   0.336
  245   1HB   ASN  37          1HB       ASN  37  -8.290  -2.917  -0.220
  246   2HB   ASN  37          2HB       ASN  37  -7.422  -3.617   1.058
  247   1HD2  ASN  37          1HD2      ASN  37  -6.368  -3.609  -1.451
  248   2HD2  ASN  37          2HD2      ASN  37  -6.197  -5.252  -2.000
  249    HA   PRO  38           HA       PRO  38  -9.624  -5.699   4.934
  250   1HB   PRO  38          1HB       PRO  38 -11.538  -7.675   5.231
  251   2HB   PRO  38          2HB       PRO  38 -11.855  -5.920   5.389
  252   1HG   PRO  38          1HG       PRO  38 -12.260  -7.676   2.947
  253   2HG   PRO  38          2HG       PRO  38 -13.408  -6.499   3.665
  254   1HD   PRO  38          1HD       PRO  38 -11.867  -5.832   1.539
  255   2HD   PRO  38          2HD       PRO  38 -12.147  -4.652   2.859
  256    H    ASP  39           H        ASP  39  -9.542  -7.605   2.074
  257    HA   ASP  39           HA       ASP  39  -8.350 -10.038   3.078
  258   1HB   ASP  39          1HB       ASP  39  -9.645  -9.051   0.745
  259   2HB   ASP  39          2HB       ASP  39  -8.012  -9.366   0.224
  260    H    LEU  40           H        LEU  40  -7.114  -6.872   2.273
  261    HA   LEU  40           HA       LEU  40  -4.503  -7.715   1.222
  262   1HB   LEU  40          1HB       LEU  40  -5.168  -5.679   0.363
  263   2HB   LEU  40          2HB       LEU  40  -5.958  -5.188   1.865
  264    HG   LEU  40           HG       LEU  40  -3.986  -4.656   2.902
  265   1HD1  LEU  40          1HD1      LEU  40  -2.109  -4.312   0.758
  266   2HD1  LEU  40          2HD1      LEU  40  -1.948  -5.231   2.280
  267   3HD1  LEU  40          3HD1      LEU  40  -2.601  -6.005   0.814
  268   1HD2  LEU  40          1HD2      LEU  40  -4.307  -3.370   0.147
  269   2HD2  LEU  40          2HD2      LEU  40  -5.179  -2.907   1.607
  270   3HD2  LEU  40          3HD2      LEU  40  -3.439  -2.596   1.463
  271    H    VAL  41           H        VAL  41  -2.603  -7.516   2.422
  272    HA   VAL  41           HA       VAL  41  -2.604  -6.976   5.251
  273    HB   VAL  41           HB       VAL  41  -1.563  -9.171   5.738
  274   1HG1  VAL  41          1HG1      VAL  41  -4.299  -9.652   4.550
  275   2HG1  VAL  41          2HG1      VAL  41  -3.523 -10.479   5.901
  276   3HG1  VAL  41          3HG1      VAL  41  -4.022  -8.777   6.087
  277   1HG2  VAL  41          1HG2      VAL  41  -1.777 -11.071   4.247
  278   2HG2  VAL  41          2HG2      VAL  41  -2.584 -10.083   3.026
  279   3HG2  VAL  41          3HG2      VAL  41  -0.863  -9.801   3.443
  280    H    GLN  42           H        GLN  42  -0.330  -6.941   6.030
  281    HA   GLN  42           HA       GLN  42   1.558  -6.098   3.994
  282   1HB   GLN  42          1HB       GLN  42   1.313  -5.107   6.367
  283   2HB   GLN  42          2HB       GLN  42   2.143  -6.541   6.952
  284   1HG   GLN  42          1HG       GLN  42   3.832  -4.857   6.607
  285   2HG   GLN  42          2HG       GLN  42   4.023  -5.994   5.272
  286   1HE2  GLN  42          1HE2      GLN  42   4.131  -4.981   3.150
  287   2HE2  GLN  42          2HE2      GLN  42   3.345  -3.450   2.865
  288    H    VAL  43           H        VAL  43   1.503  -8.122   2.793
  289    HA   VAL  43           HA       VAL  43   2.361 -10.619   3.646
  290    HB   VAL  43           HB       VAL  43   3.354 -10.732   1.198
  291   1HG1  VAL  43          1HG1      VAL  43   0.441 -10.408   1.858
  292   2HG1  VAL  43          2HG1      VAL  43   1.108 -11.256   0.417
  293   3HG1  VAL  43          3HG1      VAL  43   1.381 -11.890   2.032
  294   1HG2  VAL  43          1HG2      VAL  43   3.273  -8.298   0.717
  295   2HG2  VAL  43          2HG2      VAL  43   2.157  -9.191  -0.328
  296   3HG2  VAL  43          3HG2      VAL  43   1.542  -8.274   1.066
  297    H    HIS  44           H        HIS  44   4.241  -7.759   2.678
  298    HA   HIS  44           HA       HIS  44   6.439  -8.486   4.387
  299   1HB   HIS  44          1HB       HIS  44   7.717  -7.666   1.958
  300   2HB   HIS  44          2HB       HIS  44   7.971  -9.132   2.885
  301    HD1  HIS  44           HD1      HIS  44   6.116 -11.175   2.092
  302    HD2  HIS  44           HD2      HIS  44   6.896  -7.949  -0.489
  303    HE1  HIS  44           HE1      HIS  44   5.486 -11.957  -0.290
  304    H    GLU  45           H        GLU  45   7.438  -6.493   5.043
  305    HA   GLU  45           HA       GLU  45   6.195  -4.018   4.037
  306   1HB   GLU  45          1HB       GLU  45   6.556  -4.593   6.506
  307   2HB   GLU  45          2HB       GLU  45   8.271  -4.238   6.238
  308   1HG   GLU  45          1HG       GLU  45   7.673  -1.958   5.474
  309   2HG   GLU  45          2HG       GLU  45   5.959  -2.381   5.514
  310    H    GLY  46           H        GLY  46   7.250  -5.036   1.987
  311   1HA   GLY  46          1HA       GLY  46   9.400  -3.358   1.114
  312   2HA   GLY  46          2HA       GLY  46   9.910  -5.058   1.269
  313    HA   PRO  47           HA       PRO  47   7.032  -3.915  -2.355
  314   1HB   PRO  47          1HB       PRO  47   8.570  -3.238  -4.461
  315   2HB   PRO  47          2HB       PRO  47   8.348  -2.142  -3.061
  316   1HG   PRO  47          1HG       PRO  47  10.660  -4.064  -3.518
  317   2HG   PRO  47          2HG       PRO  47  10.743  -2.302  -3.181
  318   1HD   PRO  47          1HD       PRO  47  10.936  -4.132  -1.173
  319   2HD   PRO  47          2HD       PRO  47  10.043  -2.597  -0.942
  320    H    CYS  48           H        CYS  48   6.306  -4.998  -4.201
  321    HA   CYS  48           HA       CYS  48   7.366  -7.705  -4.772
  322   1HB   CYS  48          1HB       CYS  48   4.736  -6.274  -5.336
  323   2HB   CYS  48          2HB       CYS  48   5.116  -7.793  -6.101
  324    H    ASP  49           H        ASP  49   6.287  -4.666  -6.368
  325    HA   ASP  49           HA       ASP  49   7.327  -5.311  -8.879
  326   1HB   ASP  49          1HB       ASP  49   6.388  -2.632  -7.787
  327   2HB   ASP  49          2HB       ASP  49   6.600  -3.051  -9.485
  328    H    GLU  50           H        GLU  50   9.278  -4.543  -9.855
  329    HA   GLU  50           HA       GLU  50  10.714  -2.344  -8.751
  330   1HB   GLU  50          1HB       GLU  50  12.803  -3.369  -8.348
  331   2HB   GLU  50          2HB       GLU  50  11.627  -4.201  -7.343
  332   1HG   GLU  50          1HG       GLU  50  11.595  -6.120  -8.888
  333   2HG   GLU  50          2HG       GLU  50  12.655  -5.270 -10.019
  334    H    HIS  51           H        HIS  51  12.872  -2.295 -10.174
  335    HA   HIS  51           HA       HIS  51  13.068  -2.593 -12.891
  336   1HB   HIS  51          1HB       HIS  51  10.833  -1.945 -13.406
  337   2HB   HIS  51          2HB       HIS  51  10.762  -0.773 -12.091
  338    HD1  HIS  51           HD1      HIS  51  11.553   1.729 -12.604
  339    HD2  HIS  51           HD2      HIS  51  12.149  -1.122 -15.695
  340    HE1  HIS  51           HE1      HIS  51  12.204   3.014 -14.700
  341    H    ASP  52           H        ASP  52  12.497  -0.206 -10.359
  342    HA   ASP  52           HA       ASP  52  14.136   1.780 -11.378
  343   1HB   ASP  52          1HB       ASP  52  13.141   1.547  -8.518
  344   2HB   ASP  52          2HB       ASP  52  13.485   3.023  -9.431
  345    H    HIS  53           H        HIS  53  16.325   1.819 -11.411
  346    HA   HIS  53           HA       HIS  53  17.887   0.911  -9.042
  347   1HB   HIS  53          1HB       HIS  53  18.472   0.352 -11.977
  348   2HB   HIS  53          2HB       HIS  53  19.623   0.135 -10.661
  349    HD1  HIS  53           HD1      HIS  53  16.506  -1.133  -9.258
  350    HD2  HIS  53           HD2      HIS  53  19.354  -2.425 -12.083
  351    HE1  HIS  53           HE1      HIS  53  16.299  -3.699  -9.407
  352    H    ASP  54           H        ASP  54  17.566   3.187  -8.537
  353    HA   ASP  54           HA       ASP  54  18.581   5.322 -10.181
  354   1HB   ASP  54          1HB       ASP  54  16.874   5.533  -8.360
  355   2HB   ASP  54          2HB       ASP  54  18.130   5.187  -7.168
  356    H    PHE  55           H        PHE  55  20.042   3.129  -7.746
  357    HA   PHE  55           HA       PHE  55  22.659   3.666  -8.648
  358   1HB   PHE  55          2HB       PHE  55  22.248   5.421  -6.790
  359   2HB   PHE  55          1HB       PHE  55  22.057   4.067  -5.683
  360    HD1  PHE  55           HD1      PHE  55  24.026   2.761  -4.973
  361    HD2  PHE  55           HD2      PHE  55  24.402   5.909  -7.883
  362    HE1  PHE  55           HE1      PHE  55  26.493   2.733  -4.680
  363    HE2  PHE  55           HE2      PHE  55  26.873   5.875  -7.606
  364    HZ   PHE  55           HZ       PHE  55  27.922   4.288  -6.000
  Start of MODEL   10
    1   1H    PHE   1          1H        PHE   1 -15.379   4.916   6.067
    2   2H    PHE   1          2H        PHE   1 -14.805   6.462   5.979
    3   3H    PHE   1          3H        PHE   1 -15.726   5.841   4.748
    4    HA   PHE   1           HA       PHE   1 -12.989   5.056   5.489
    5   1HB   PHE   1          2HB       PHE   1 -14.019   3.679   3.139
    6   2HB   PHE   1          1HB       PHE   1 -13.043   3.256   4.475
    7    HD1  PHE   1           HD1      PHE   1 -16.298   2.843   3.060
    8    HD2  PHE   1           HD2      PHE   1 -14.020   2.634   6.726
    9    HE1  PHE   1           HE1      PHE   1 -18.026   1.364   4.061
   10    HE2  PHE   1           HE2      PHE   1 -15.757   1.180   7.722
   11    HZ   PHE   1           HZ       PHE   1 -17.752   0.529   6.389
   12    H    GLN   2           H        GLN   2 -12.624   7.360   5.208
   13    HA   GLN   2           HA       GLN   2 -11.087   7.517   2.934
   14   1HB   GLN   2          1HB       GLN   2 -13.369   8.166   1.837
   15   2HB   GLN   2          2HB       GLN   2 -13.285   9.611   2.817
   16   1HG   GLN   2          1HG       GLN   2 -10.756   9.246   1.450
   17   2HG   GLN   2          2HG       GLN   2 -12.048   8.921   0.302
   18   1HE2  GLN   2          1HE2      GLN   2 -10.083  11.416   1.341
   19   2HE2  GLN   2          2HE2      GLN   2 -11.206  12.743   1.056
   20    H    GLY   3           H        GLY   3  -9.403   8.888   3.650
   21   1HA   GLY   3          1HA       GLY   3  -8.288  10.566   4.792
   22   2HA   GLY   3          2HA       GLY   3  -9.843  11.244   5.293
   23    H    ASN   4           H        ASN   4 -10.875   9.003   6.660
   24    HA   ASN   4           HA       ASN   4  -9.553   8.994   9.194
   25   1HB   ASN   4          1HB       ASN   4 -11.109   6.571   9.001
   26   2HB   ASN   4          2HB       ASN   4 -11.433   8.020   9.902
   27   1HD2  ASN   4          1HD2      ASN   4 -12.789   9.705   8.906
   28   2HD2  ASN   4          2HD2      ASN   4 -13.784   9.322   7.517
   29    HA   PRO   5           HA       PRO   5  -7.378   4.857   7.944
   30   1HB   PRO   5          1HB       PRO   5  -7.450   4.118   5.330
   31   2HB   PRO   5          2HB       PRO   5  -8.582   3.529   6.564
   32   1HG   PRO   5          1HG       PRO   5  -8.923   5.703   4.477
   33   2HG   PRO   5          2HG       PRO   5 -10.093   4.439   4.983
   34   1HD   PRO   5          1HD       PRO   5 -10.243   6.967   5.875
   35   2HD   PRO   5          2HD       PRO   5 -10.652   5.569   6.909
   36    H    CYS   6           H        CYS   6  -7.340   7.516   5.501
   37    HA   CYS   6           HA       CYS   6  -4.386   7.127   5.242
   38   1HB   CYS   6          1HB       CYS   6  -6.475   8.101   3.317
   39   2HB   CYS   6          2HB       CYS   6  -4.843   8.730   3.223
   40    H    GLU   7           H        GLU   7  -3.780   8.273   7.057
   41    HA   GLU   7           HA       GLU   7  -4.137  11.234   6.911
   42   1HB   GLU   7          1HB       GLU   7  -5.074   9.790   8.861
   43   2HB   GLU   7          2HB       GLU   7  -3.394   9.630   9.372
   44   1HG   GLU   7          1HG       GLU   7  -3.247  12.118   9.573
   45   2HG   GLU   7          2HG       GLU   7  -4.890  12.261   8.945
   46    H    CYS   8           H        CYS   8  -2.048   9.073   5.855
   47    HA   CYS   8           HA       CYS   8   0.399   9.816   7.265
   48   1HB   CYS   8          1HB       CYS   8  -0.575   7.616   5.516
   49   2HB   CYS   8          2HB       CYS   8   1.122   7.985   5.333
   50    HA   PRO   9           HA       PRO   9   2.152  12.355   4.191
   51   1HB   PRO   9          1HB       PRO   9   4.822  12.077   4.509
   52   2HB   PRO   9          2HB       PRO   9   3.786  12.560   5.886
   53   1HG   PRO   9          1HG       PRO   9   4.835   9.787   5.238
   54   2HG   PRO   9          2HG       PRO   9   4.880  10.649   6.808
   55   1HD   PRO   9          1HD       PRO   9   2.931   8.831   6.043
   56   2HD   PRO   9          2HD       PRO   9   2.642  10.101   7.246
   57    H    ARG  10           H        ARG  10   3.527  12.521   2.273
   58    HA   ARG  10           HA       ARG  10   3.462  10.223   0.461
   59   1HB   ARG  10          1HB       ARG  10   4.190  13.161   0.253
   60   2HB   ARG  10          2HB       ARG  10   4.711  12.045  -1.017
   61   1HG   ARG  10          1HG       ARG  10   2.471  11.320  -1.465
   62   2HG   ARG  10          2HG       ARG  10   1.811  12.356  -0.184
   63   1HD   ARG  10          1HD       ARG  10   2.118  14.309  -1.407
   64   2HD   ARG  10          2HD       ARG  10   3.580  13.709  -2.186
   65    HE   ARG  10           HE       ARG  10   2.423  13.039  -3.953
   66   1HH1  ARG  10          2HH2      ARG  10   0.064  13.304  -1.344
   67   2HH1  ARG  10          1HH2      ARG  10  -1.313  12.939  -2.327
   68   1HH2  ARG  10          2HH1      ARG  10   0.624  12.559  -5.294
   69   2HH2  ARG  10          1HH1      ARG  10  -0.971  12.514  -4.641
   70    H    ALA  11           H        ALA  11   4.975   9.500   2.660
   71    HA   ALA  11           HA       ALA  11   7.712   9.553   2.047
   72   1HB   ALA  11          1HB       ALA  11   6.018   7.760   3.808
   73   2HB   ALA  11          2HB       ALA  11   7.782   7.583   3.633
   74   3HB   ALA  11          3HB       ALA  11   7.119   9.075   4.313
   75    H    LEU  12           H        LEU  12   8.600   8.532   0.326
   76    HA   LEU  12           HA       LEU  12   7.248   6.594  -1.328
   77   1HB   LEU  12          1HB       LEU  12   9.892   8.058  -1.207
   78   2HB   LEU  12          2HB       LEU  12   9.755   6.723  -2.295
   79    HG   LEU  12           HG       LEU  12   9.397   8.993  -3.228
   80   1HD1  LEU  12          1HD1      LEU  12   7.779   8.216  -4.871
   81   2HD1  LEU  12          2HD1      LEU  12   8.812   6.866  -4.400
   82   3HD1  LEU  12          3HD1      LEU  12   7.163   6.983  -3.745
   83   1HD2  LEU  12          1HD2      LEU  12   7.185  10.001  -3.225
   84   2HD2  LEU  12          2HD2      LEU  12   6.603   8.806  -2.051
   85   3HD2  LEU  12          3HD2      LEU  12   7.877   9.971  -1.600
   86    H    HIS  13           H        HIS  13   7.310   5.433   1.153
   87    HA   HIS  13           HA       HIS  13   9.565   3.482   1.312
   88   1HB   HIS  13          1HB       HIS  13   7.189   4.174   3.059
   89   2HB   HIS  13          2HB       HIS  13   7.838   2.541   3.130
   90    HD1  HIS  13           HD1      HIS  13   9.389   2.157   4.993
   91    HD2  HIS  13           HD2      HIS  13   9.668   6.001   3.223
   92    HE1  HIS  13           HE1      HIS  13  11.257   3.482   6.248
   93    H    ARG  14           H        ARG  14   8.890   2.923  -1.125
   94    HA   ARG  14           HA       ARG  14   6.346   1.800  -1.587
   95   1HB   ARG  14          1HB       ARG  14   8.985   1.153  -2.962
   96   2HB   ARG  14          2HB       ARG  14   7.409   0.529  -3.462
   97   1HG   ARG  14          1HG       ARG  14   6.552   2.805  -3.826
   98   2HG   ARG  14          2HG       ARG  14   8.114   3.486  -3.336
   99   1HD   ARG  14          1HD       ARG  14   7.907   3.413  -5.783
  100   2HD   ARG  14          2HD       ARG  14   9.229   2.372  -5.225
  101    HE   ARG  14           HE       ARG  14   6.937   0.770  -5.366
  102   1HH1  ARG  14          2HH2      ARG  14   9.003   2.570  -7.635
  103   2HH1  ARG  14          1HH2      ARG  14   8.779   1.473  -8.958
  104   1HH2  ARG  14          2HH1      ARG  14   6.668  -0.734  -7.200
  105   2HH2  ARG  14          1HH1      ARG  14   7.498  -0.461  -8.672
  106    H    VAL  15           H        VAL  15   5.350  -0.144  -1.257
  107    HA   VAL  15           HA       VAL  15   6.920  -2.360  -0.056
  108    HB   VAL  15           HB       VAL  15   5.273  -2.774   1.624
  109   1HG1  VAL  15          1HG1      VAL  15   5.814  -1.082   3.106
  110   2HG1  VAL  15          2HG1      VAL  15   7.123  -0.982   1.907
  111   3HG1  VAL  15          3HG1      VAL  15   5.756   0.142   1.837
  112   1HG2  VAL  15          1HG2      VAL  15   3.424  -1.153   2.050
  113   2HG2  VAL  15          2HG2      VAL  15   3.766  -0.365   0.493
  114   3HG2  VAL  15          3HG2      VAL  15   3.194  -2.047   0.564
  115    H    CYS  16           H        CYS  16   5.649  -4.424  -0.023
  116    HA   CYS  16           HA       CYS  16   3.861  -4.651  -2.394
  117   1HB   CYS  16          1HB       CYS  16   5.917  -5.862  -2.301
  118   2HB   CYS  16          2HB       CYS  16   5.564  -6.526  -0.765
  119    H    GLY  17           H        GLY  17   1.722  -5.258  -2.198
  120   1HA   GLY  17          1HA       GLY  17   0.737  -6.358   0.396
  121   2HA   GLY  17          2HA       GLY  17  -0.261  -5.792  -0.949
  122    H    SER  18           H        SER  18  -0.428  -8.297   0.241
  123    HA   SER  18           HA       SER  18   0.793 -10.419  -0.483
  124   1HB   SER  18          1HB       SER  18  -1.155 -11.698   0.036
  125   2HB   SER  18          2HB       SER  18  -1.266 -10.183   0.897
  126    HG   SER  18           HG       SER  18  -3.125  -9.910  -0.026
  127    H    ASP  19           H        ASP  19  -1.342  -9.007  -2.874
  128    HA   ASP  19           HA       ASP  19  -1.196 -11.184  -4.748
  129   1HB   ASP  19          1HB       ASP  19  -2.443  -8.565  -4.539
  130   2HB   ASP  19          2HB       ASP  19  -1.592  -8.626  -6.069
  131    H    GLY  20           H        GLY  20   1.352  -9.395  -3.677
  132   1HA   GLY  20          1HA       GLY  20   3.486  -8.998  -4.641
  133   2HA   GLY  20          2HA       GLY  20   2.862  -9.348  -6.242
  134    H    ASN  21           H        ASN  21   0.599  -7.426  -4.654
  135    HA   ASN  21           HA       ASN  21   0.903  -5.473  -6.622
  136   1HB   ASN  21          1HB       ASN  21  -1.238  -6.495  -5.589
  137   2HB   ASN  21          2HB       ASN  21  -1.069  -5.269  -4.336
  138   1HD2  ASN  21          1HD2      ASN  21  -2.950  -5.803  -6.855
  139   2HD2  ASN  21          2HD2      ASN  21  -2.999  -4.187  -7.550
  140    H    THR  22           H        THR  22   2.684  -4.015  -6.339
  141    HA   THR  22           HA       THR  22   3.473  -3.188  -3.817
  142    HB   THR  22           HB       THR  22   4.070  -1.784  -6.430
  143    HG1  THR  22           HG1      THR  22   5.085  -3.519  -6.895
  144   1HG2  THR  22          1HG2      THR  22   6.209  -1.176  -5.364
  145   2HG2  THR  22          2HG2      THR  22   4.879  -0.558  -4.357
  146   3HG2  THR  22          3HG2      THR  22   5.761  -2.023  -3.904
  147    H    TYR  23           H        TYR  23   3.227  -1.279  -2.641
  148    HA   TYR  23           HA       TYR  23   1.233   0.764  -3.468
  149   1HB   TYR  23          1HB       TYR  23   1.656  -0.601  -0.780
  150   2HB   TYR  23          2HB       TYR  23   0.989   1.010  -0.881
  151    HD1  TYR  23           HD1      TYR  23  -1.300   1.412  -1.464
  152    HD2  TYR  23           HD2      TYR  23   0.380  -2.543  -1.837
  153    HE1  TYR  23           HE1      TYR  23  -3.560   0.500  -1.841
  154    HE2  TYR  23           HE2      TYR  23  -1.885  -3.469  -2.227
  155    HH   TYR  23           HH       TYR  23  -4.724  -1.378  -2.649
  156    H    SER  24           H        SER  24   1.798   2.891  -2.869
  157    HA   SER  24           HA       SER  24   4.434   3.649  -2.984
  158   1HB   SER  24          1HB       SER  24   2.262   5.302  -1.690
  159   2HB   SER  24          2HB       SER  24   3.607   5.859  -2.681
  160    HG   SER  24           HG       SER  24   2.606   5.100  -4.496
  161    H    ASN  25           H        ASN  25   2.532   2.894  -0.069
  162    HA   ASN  25           HA       ASN  25   4.830   2.620   1.511
  163   1HB   ASN  25          1HB       ASN  25   4.210   4.285   3.315
  164   2HB   ASN  25          2HB       ASN  25   4.964   4.904   1.890
  165   1HD2  ASN  25          1HD2      ASN  25   4.204   6.880   1.595
  166   2HD2  ASN  25          2HD2      ASN  25   2.582   7.457   1.956
  167    HA   PRO  26           HA       PRO  26   2.106  -0.174   3.368
  168   1HB   PRO  26          1HB       PRO  26   2.952  -0.487   5.949
  169   2HB   PRO  26          2HB       PRO  26   3.860  -1.074   4.524
  170   1HG   PRO  26          1HG       PRO  26   4.345   1.392   6.176
  171   2HG   PRO  26          2HG       PRO  26   5.535   0.268   5.456
  172   1HD   PRO  26          1HD       PRO  26   4.784   2.705   4.411
  173   2HD   PRO  26          2HD       PRO  26   5.474   1.407   3.437
  174    H    CYS  27           H        CYS  27   2.302   3.013   4.770
  175    HA   CYS  27           HA       CYS  27  -0.006   2.815   6.428
  176   1HB   CYS  27          1HB       CYS  27   1.859   4.666   6.287
  177   2HB   CYS  27          2HB       CYS  27   0.846   5.342   5.019
  178    H    MET  28           H        MET  28   0.452   3.901   2.980
  179    HA   MET  28           HA       MET  28  -2.325   4.229   2.459
  180   1HB   MET  28          1HB       MET  28   0.011   3.664   0.628
  181   2HB   MET  28          2HB       MET  28  -1.657   3.685   0.045
  182   1HG   MET  28          1HG       MET  28  -1.498   6.010   1.603
  183   2HG   MET  28          2HG       MET  28   0.050   5.957   0.779
  184   1HE   MET  28          1HE       MET  28   0.315   6.087  -1.902
  185   2HE   MET  28          2HE       MET  28  -0.608   4.564  -1.987
  186   3HE   MET  28          3HE       MET  28  -1.055   5.936  -3.019
  187    H    LEU  29           H        LEU  29  -0.368   1.237   2.382
  188    HA   LEU  29           HA       LEU  29  -2.426  -0.464   1.326
  189   1HB   LEU  29          1HB       LEU  29  -0.279  -1.205   1.380
  190   2HB   LEU  29          2HB       LEU  29  -0.075  -0.974   3.143
  191    HG   LEU  29           HG       LEU  29  -1.603  -3.020   1.786
  192   1HD1  LEU  29          1HD1      LEU  29   0.265  -4.554   2.318
  193   2HD1  LEU  29          2HD1      LEU  29   0.750  -3.230   1.252
  194   3HD1  LEU  29          3HD1      LEU  29   1.138  -3.146   2.968
  195   1HD2  LEU  29          1HD2      LEU  29  -0.809  -2.732   4.724
  196   2HD2  LEU  29          2HD2      LEU  29  -2.465  -2.905   4.081
  197   3HD2  LEU  29          3HD2      LEU  29  -1.360  -4.264   4.054
  198    H    THR  30           H        THR  30  -1.419  -0.188   4.734
  199    HA   THR  30           HA       THR  30  -3.735  -1.473   5.697
  200    HB   THR  30           HB       THR  30  -1.667  -0.712   7.000
  201    HG1  THR  30           HG1      THR  30  -2.886  -0.932   8.950
  202   1HG2  THR  30          1HG2      THR  30  -3.500   1.543   7.766
  203   2HG2  THR  30          2HG2      THR  30  -1.884   1.175   8.432
  204   3HG2  THR  30          3HG2      THR  30  -2.053   1.663   6.736
  205    H    CYS  31           H        CYS  31  -3.396   2.116   5.140
  206    HA   CYS  31           HA       CYS  31  -5.778   2.899   5.837
  207   1HB   CYS  31          1HB       CYS  31  -4.326   4.579   4.956
  208   2HB   CYS  31          2HB       CYS  31  -4.007   3.640   3.527
  209    H    ALA  32           H        ALA  32  -5.044   1.920   2.430
  210    HA   ALA  32           HA       ALA  32  -7.511   1.620   1.279
  211   1HB   ALA  32          1HB       ALA  32  -5.147  -0.283   1.038
  212   2HB   ALA  32          2HB       ALA  32  -6.504  -0.164  -0.075
  213   3HB   ALA  32          3HB       ALA  32  -5.378   1.217   0.128
  214    H    LYS  33           H        LYS  33  -5.832  -0.701   3.300
  215    HA   LYS  33           HA       LYS  33  -7.642  -2.873   3.076
  216   1HB   LYS  33          1HB       LYS  33  -5.300  -2.890   4.079
  217   2HB   LYS  33          2HB       LYS  33  -6.013  -2.298   5.574
  218   1HG   LYS  33          1HG       LYS  33  -7.546  -4.218   5.656
  219   2HG   LYS  33          2HG       LYS  33  -6.931  -4.800   4.118
  220   1HD   LYS  33          1HD       LYS  33  -4.803  -5.318   4.914
  221   2HD   LYS  33          2HD       LYS  33  -4.998  -4.388   6.327
  222   1HE   LYS  33          1HE       LYS  33  -6.788  -6.732   5.668
  223   2HE   LYS  33          2HE       LYS  33  -5.268  -6.935   6.555
  224   1HZ   LYS  33          1HZ       LYS  33  -7.605  -5.349   7.408
  225   2HZ   LYS  33          2HZ       LYS  33  -7.176  -6.790   8.045
  226   3HZ   LYS  33          3HZ       LYS  33  -6.207  -5.472   8.273
  227    H    HIS  34           H        HIS  34  -7.439  -0.539   5.780
  228    HA   HIS  34           HA       HIS  34 -10.028  -1.259   6.889
  229   1HB   HIS  34          1HB       HIS  34  -7.790   0.590   7.511
  230   2HB   HIS  34          2HB       HIS  34  -9.361   1.276   7.843
  231    HD1  HIS  34           HD1      HIS  34  -9.865   0.921  10.348
  232    HD2  HIS  34           HD2      HIS  34  -7.975  -2.348   8.487
  233    HE1  HIS  34           HE1      HIS  34  -9.691  -0.928  12.108
  234    H    GLU  35           H        GLU  35  -9.079   0.820   4.213
  235    HA   GLU  35           HA       GLU  35 -11.372   2.419   4.488
  236   1HB   GLU  35          1HB       GLU  35  -9.261   3.105   3.341
  237   2HB   GLU  35          2HB       GLU  35  -9.770   2.167   1.952
  238   1HG   GLU  35          1HG       GLU  35 -11.556   4.305   3.047
  239   2HG   GLU  35          2HG       GLU  35 -10.124   4.742   2.138
  240    H    GLY  36           H        GLY  36 -10.502  -0.049   2.013
  241   1HA   GLY  36          1HA       GLY  36 -13.199  -1.221   2.050
  242   2HA   GLY  36          2HA       GLY  36 -12.810  -0.294   0.598
  243    H    ASN  37           H        ASN  37 -10.312  -2.194   2.393
  244    HA   ASN  37           HA       ASN  37 -10.415  -4.238   0.209
  245   1HB   ASN  37          1HB       ASN  37  -8.512  -2.330  -0.040
  246   2HB   ASN  37          2HB       ASN  37  -7.710  -3.259   1.128
  247   1HD2  ASN  37          1HD2      ASN  37  -6.609  -3.033  -1.406
  248   2HD2  ASN  37          2HD2      ASN  37  -6.721  -4.625  -2.132
  249    HA   PRO  38           HA       PRO  38 -10.092  -5.825   4.583
  250   1HB   PRO  38          1HB       PRO  38 -12.122  -7.728   4.474
  251   2HB   PRO  38          2HB       PRO  38 -12.381  -6.014   4.926
  252   1HG   PRO  38          1HG       PRO  38 -12.807  -7.322   2.226
  253   2HG   PRO  38          2HG       PRO  38 -13.885  -6.182   3.096
  254   1HD   PRO  38          1HD       PRO  38 -12.197  -5.366   1.112
  255   2HD   PRO  38          2HD       PRO  38 -12.534  -4.335   2.544
  256    H    ASP  39           H        ASP  39 -10.002  -7.193   1.421
  257    HA   ASP  39           HA       ASP  39  -8.901  -9.795   2.050
  258   1HB   ASP  39          1HB       ASP  39  -9.984  -8.335  -0.202
  259   2HB   ASP  39          2HB       ASP  39  -8.362  -8.817  -0.640
  260    H    LEU  40           H        LEU  40  -7.536  -6.542   1.837
  261    HA   LEU  40           HA       LEU  40  -4.912  -7.369   0.799
  262   1HB   LEU  40          1HB       LEU  40  -5.539  -5.185   0.201
  263   2HB   LEU  40          2HB       LEU  40  -6.286  -4.872   1.775
  264    HG   LEU  40           HG       LEU  40  -4.286  -4.575   2.852
  265   1HD1  LEU  40          1HD1      LEU  40  -2.495  -4.361   0.516
  266   2HD1  LEU  40          2HD1      LEU  40  -2.236  -5.047   2.155
  267   3HD1  LEU  40          3HD1      LEU  40  -2.989  -6.001   0.870
  268   1HD2  LEU  40          1HD2      LEU  40  -4.293  -2.918   0.281
  269   2HD2  LEU  40          2HD2      LEU  40  -5.342  -2.650   1.687
  270   3HD2  LEU  40          3HD2      LEU  40  -3.599  -2.460   1.820
  271    H    VAL  41           H        VAL  41  -3.054  -7.387   2.159
  272    HA   VAL  41           HA       VAL  41  -3.396  -7.281   5.043
  273    HB   VAL  41           HB       VAL  41  -2.326  -9.505   5.257
  274   1HG1  VAL  41          1HG1      VAL  41  -4.931  -9.792   3.736
  275   2HG1  VAL  41          2HG1      VAL  41  -4.268 -10.855   4.987
  276   3HG1  VAL  41          3HG1      VAL  41  -4.828  -9.224   5.421
  277   1HG2  VAL  41          1HG2      VAL  41  -2.976  -9.886   2.313
  278   2HG2  VAL  41          2HG2      VAL  41  -1.343  -9.757   3.032
  279   3HG2  VAL  41          3HG2      VAL  41  -2.362 -11.133   3.424
  280    H    GLN  42           H        GLN  42  -1.368  -6.852   6.041
  281    HA   GLN  42           HA       GLN  42   0.782  -5.912   4.285
  282   1HB   GLN  42          1HB       GLN  42   0.111  -4.751   6.444
  283   2HB   GLN  42          2HB       GLN  42   0.729  -6.144   7.323
  284   1HG   GLN  42          1HG       GLN  42   2.549  -4.666   7.342
  285   2HG   GLN  42          2HG       GLN  42   2.966  -5.730   5.994
  286   1HE2  GLN  42          1HE2      GLN  42   3.733  -4.536   4.104
  287   2HE2  GLN  42          2HE2      GLN  42   3.121  -2.944   3.788
  288    H    VAL  43           H        VAL  43   1.181  -7.925   3.207
  289    HA   VAL  43           HA       VAL  43   2.039 -10.288   4.389
  290    HB   VAL  43           HB       VAL  43   3.558 -10.370   2.221
  291   1HG1  VAL  43          1HG1      VAL  43   0.552 -10.358   1.980
  292   2HG1  VAL  43          2HG1      VAL  43   1.762 -11.339   1.071
  293   3HG1  VAL  43          3HG1      VAL  43   1.468 -11.662   2.774
  294   1HG2  VAL  43          1HG2      VAL  43   1.491  -8.234   1.475
  295   2HG2  VAL  43          2HG2      VAL  43   3.234  -7.969   1.583
  296   3HG2  VAL  43          3HG2      VAL  43   2.580  -9.074   0.365
  297    H    HIS  44           H        HIS  44   3.892  -7.386   3.425
  298    HA   HIS  44           HA       HIS  44   5.626  -7.463   5.635
  299   1HB   HIS  44          1HB       HIS  44   7.704  -8.079   4.692
  300   2HB   HIS  44          2HB       HIS  44   6.622  -9.408   4.443
  301    HD1  HIS  44           HD1      HIS  44   5.624  -7.542   1.579
  302    HD2  HIS  44           HD2      HIS  44   9.184  -9.425   2.815
  303    HE1  HIS  44           HE1      HIS  44   6.958  -8.124  -0.542
  304    H    GLU  45           H        GLU  45   7.633  -5.893   4.964
  305    HA   GLU  45           HA       GLU  45   6.570  -3.472   3.612
  306   1HB   GLU  45          1HB       GLU  45   8.069  -3.843   5.993
  307   2HB   GLU  45          2HB       GLU  45   9.278  -3.347   4.854
  308   1HG   GLU  45          1HG       GLU  45   6.697  -1.754   5.085
  309   2HG   GLU  45          2HG       GLU  45   7.861  -1.666   6.382
  310    H    GLY  46           H        GLY  46   8.794  -2.440   2.409
  311   1HA   GLY  46          1HA       GLY  46  10.205  -2.646   0.643
  312   2HA   GLY  46          2HA       GLY  46  10.362  -4.376   0.961
  313    HA   PRO  47           HA       PRO  47   7.251  -3.486  -2.557
  314   1HB   PRO  47          1HB       PRO  47   8.518  -2.694  -4.808
  315   2HB   PRO  47          2HB       PRO  47   8.155  -1.556  -3.476
  316   1HG   PRO  47          1HG       PRO  47  10.772  -2.977  -4.031
  317   2HG   PRO  47          2HG       PRO  47  10.505  -1.238  -3.676
  318   1HD   PRO  47          1HD       PRO  47  11.217  -3.114  -1.765
  319   2HD   PRO  47          2HD       PRO  47  10.286  -1.643  -1.392
  320    H    CYS  48           H        CYS  48   6.612  -5.053  -3.977
  321    HA   CYS  48           HA       CYS  48   8.392  -7.381  -4.448
  322   1HB   CYS  48          1HB       CYS  48   5.452  -6.834  -4.963
  323   2HB   CYS  48          2HB       CYS  48   6.283  -8.202  -5.683
  324    H    ASP  49           H        ASP  49   6.344  -5.169  -6.482
  325    HA   ASP  49           HA       ASP  49   7.507  -5.972  -8.884
  326   1HB   ASP  49          1HB       ASP  49   5.338  -4.762  -8.726
  327   2HB   ASP  49          2HB       ASP  49   6.223  -3.299  -8.257
  328    H    GLU  50           H        GLU  50   9.004  -4.777 -10.252
  329    HA   GLU  50           HA       GLU  50  11.320  -4.096  -8.553
  330   1HB   GLU  50          1HB       GLU  50  11.394  -5.759 -10.444
  331   2HB   GLU  50          2HB       GLU  50  11.261  -4.414 -11.583
  332   1HG   GLU  50          1HG       GLU  50  13.411  -3.534 -10.873
  333   2HG   GLU  50          2HG       GLU  50  13.446  -4.594  -9.459
  334    H    HIS  51           H        HIS  51  12.771  -2.198  -9.287
  335    HA   HIS  51           HA       HIS  51  11.034   0.155  -9.765
  336   1HB   HIS  51          1HB       HIS  51  12.751   1.519  -8.864
  337   2HB   HIS  51          2HB       HIS  51  12.301   0.269  -7.721
  338    HD1  HIS  51           HD1      HIS  51  15.186   1.126 -10.104
  339    HD2  HIS  51           HD2      HIS  51  14.275  -1.303  -6.809
  340    HE1  HIS  51           HE1      HIS  51  17.427   0.242  -9.211
  341    H    ASP  52           H        ASP  52  10.711   0.130 -12.005
  342    HA   ASP  52           HA       ASP  52  12.718  -0.367 -13.859
  343   1HB   ASP  52          1HB       ASP  52  10.116  -0.063 -14.113
  344   2HB   ASP  52          2HB       ASP  52  10.532   1.610 -14.475
  345    H    HIS  53           H        HIS  53  13.506   1.329 -15.442
  346    HA   HIS  53           HA       HIS  53  14.991   3.385 -13.854
  347   1HB   HIS  53          1HB       HIS  53  16.206   1.368 -14.757
  348   2HB   HIS  53          2HB       HIS  53  15.849   1.950 -16.382
  349    HD1  HIS  53           HD1      HIS  53  18.343   2.441 -17.035
  350    HD2  HIS  53           HD2      HIS  53  17.090   4.251 -13.450
  351    HE1  HIS  53           HE1      HIS  53  20.259   3.961 -16.256
  352    H    ASP  54           H        ASP  54  12.638   4.360 -14.502
  353    HA   ASP  54           HA       ASP  54  12.152   5.219 -17.103
  354   1HB   ASP  54          1HB       ASP  54  11.322   6.513 -14.472
  355   2HB   ASP  54          2HB       ASP  54  10.607   6.882 -16.036
  356    H    PHE  55           H        PHE  55  14.340   6.720 -14.790
  357    HA   PHE  55           HA       PHE  55  14.545   9.185 -16.441
  358   1HB   PHE  55          2HB       PHE  55  15.415   8.642 -13.582
  359   2HB   PHE  55          1HB       PHE  55  15.874  10.069 -14.501
  360    HD1  PHE  55           HD1      PHE  55  13.988  11.529 -15.513
  361    HD2  PHE  55           HD2      PHE  55  13.334   8.647 -12.377
  362    HE1  PHE  55           HE1      PHE  55  11.906  12.715 -14.856
  363    HE2  PHE  55           HE2      PHE  55  11.254   9.833 -11.722
  364    HZ   PHE  55           HZ       PHE  55  10.538  11.873 -12.956
  Start of MODEL   11
    1   1H    PHE   1          1H        PHE   1 -16.044   5.125   3.966
    2   2H    PHE   1          2H        PHE   1 -15.428   6.665   3.918
    3   3H    PHE   1          3H        PHE   1 -15.678   5.825   2.519
    4    HA   PHE   1           HA       PHE   1 -13.615   5.168   4.545
    5   1HB   PHE   1          2HB       PHE   1 -13.483   3.642   2.135
    6   2HB   PHE   1          1HB       PHE   1 -13.382   3.230   3.826
    7    HD1  PHE   1           HD1      PHE   1 -15.501   3.230   0.861
    8    HD2  PHE   1           HD2      PHE   1 -15.487   2.653   5.138
    9    HE1  PHE   1           HE1      PHE   1 -17.757   2.207   0.736
   10    HE2  PHE   1           HE2      PHE   1 -17.749   1.642   5.005
   11    HZ   PHE   1           HZ       PHE   1 -18.889   1.425   2.806
   12    H    GLN   2           H        GLN   2 -12.297   6.854   4.411
   13    HA   GLN   2           HA       GLN   2 -10.516   7.045   2.380
   14   1HB   GLN   2          1HB       GLN   2 -12.827   8.749   1.784
   15   2HB   GLN   2          2HB       GLN   2 -11.396   9.743   2.031
   16   1HG   GLN   2          1HG       GLN   2 -10.129   8.384   0.410
   17   2HG   GLN   2          2HG       GLN   2 -11.580   7.429   0.075
   18   1HE2  GLN   2          1HE2      GLN   2  -9.851   9.568  -1.516
   19   2HE2  GLN   2          2HE2      GLN   2 -11.126  10.597  -2.163
   20    H    GLY   3           H        GLY   3 -12.113   9.606   4.176
   21   1HA   GLY   3          1HA       GLY   3  -9.678  10.501   5.505
   22   2HA   GLY   3          2HA       GLY   3 -11.281  11.251   5.594
   23    H    ASN   4           H        ASN   4  -9.593   8.300   6.501
   24    HA   ASN   4           HA       ASN   4  -9.788   8.660   9.289
   25   1HB   ASN   4          1HB       ASN   4 -12.097   7.243   8.216
   26   2HB   ASN   4          2HB       ASN   4 -11.113   6.130   9.167
   27   1HD2  ASN   4          1HD2      ASN   4 -13.605   8.421   9.472
   28   2HD2  ASN   4          2HD2      ASN   4 -13.377   8.688  11.192
   29    HA   PRO   5           HA       PRO   5  -7.207   4.768   7.905
   30   1HB   PRO   5          1HB       PRO   5  -7.358   4.091   5.249
   31   2HB   PRO   5          2HB       PRO   5  -8.320   3.327   6.526
   32   1HG   PRO   5          1HG       PRO   5  -9.044   5.532   4.603
   33   2HG   PRO   5          2HG       PRO   5  -9.992   4.072   5.057
   34   1HD   PRO   5          1HD       PRO   5 -10.551   6.423   6.206
   35   2HD   PRO   5          2HD       PRO   5 -10.521   4.945   7.178
   36    H    CYS   6           H        CYS   6  -7.547   7.362   5.301
   37    HA   CYS   6           HA       CYS   6  -4.595   7.194   5.028
   38   1HB   CYS   6          1HB       CYS   6  -6.812   7.926   3.192
   39   2HB   CYS   6          2HB       CYS   6  -5.285   8.768   3.005
   40    H    GLU   7           H        GLU   7  -3.911   8.309   6.808
   41    HA   GLU   7           HA       GLU   7  -4.265  11.268   6.776
   42   1HB   GLU   7          1HB       GLU   7  -3.656  11.040   9.222
   43   2HB   GLU   7          2HB       GLU   7  -5.216  10.381   8.742
   44   1HG   GLU   7          1HG       GLU   7  -4.552   8.161   9.025
   45   2HG   GLU   7          2HG       GLU   7  -2.840   8.520   8.800
   46    H    CYS   8           H        CYS   8  -2.077   9.169   5.676
   47    HA   CYS   8           HA       CYS   8   0.273   9.924   7.187
   48   1HB   CYS   8          1HB       CYS   8  -0.682   7.728   5.537
   49   2HB   CYS   8          2HB       CYS   8   0.943   8.159   5.053
   50    HA   PRO   9           HA       PRO   9   2.345  12.531   4.249
   51   1HB   PRO   9          1HB       PRO   9   4.980  12.034   4.601
   52   2HB   PRO   9          2HB       PRO   9   3.960  12.593   5.956
   53   1HG   PRO   9          1HG       PRO   9   4.862   9.775   5.342
   54   2HG   PRO   9          2HG       PRO   9   4.841  10.624   6.919
   55   1HD   PRO   9          1HD       PRO   9   2.861   8.903   5.939
   56   2HD   PRO   9          2HD       PRO   9   2.576  10.081   7.223
   57    H    ARG  10           H        ARG  10   3.797  12.634   2.276
   58    HA   ARG  10           HA       ARG  10   3.549  10.253   0.556
   59   1HB   ARG  10          1HB       ARG  10   4.712  13.004  -0.069
   60   2HB   ARG  10          2HB       ARG  10   4.598  11.646  -1.175
   61   1HG   ARG  10          1HG       ARG  10   2.772  12.708  -1.859
   62   2HG   ARG  10          2HG       ARG  10   2.007  11.717  -0.626
   63   1HD   ARG  10          1HD       ARG  10   3.036  14.499   0.051
   64   2HD   ARG  10          2HD       ARG  10   1.542  14.314  -0.873
   65    HE   ARG  10           HE       ARG  10   1.254  12.623   1.313
   66   1HH1  ARG  10          2HH2      ARG  10   1.629  16.075   0.745
   67   2HH1  ARG  10          1HH2      ARG  10   0.604  16.587   2.037
   68   1HH2  ARG  10          2HH1      ARG  10  -0.063  13.241   3.158
   69   2HH2  ARG  10          1HH1      ARG  10  -0.421  14.909   3.395
   70    H    ALA  11           H        ALA  11   5.086   9.589   2.750
   71    HA   ALA  11           HA       ALA  11   7.814   9.593   2.121
   72   1HB   ALA  11          1HB       ALA  11   6.045   7.915   3.910
   73   2HB   ALA  11          2HB       ALA  11   7.762   7.520   3.661
   74   3HB   ALA  11          3HB       ALA  11   7.315   9.089   4.361
   75    H    LEU  12           H        LEU  12   8.677   8.625   0.390
   76    HA   LEU  12           HA       LEU  12   7.386   6.711  -1.327
   77   1HB   LEU  12          1HB       LEU  12   9.914   8.343  -1.089
   78   2HB   LEU  12          2HB       LEU  12  10.042   6.941  -2.099
   79    HG   LEU  12           HG       LEU  12   9.495   9.115  -3.164
   80   1HD1  LEU  12          1HD1      LEU  12   8.183   8.062  -4.930
   81   2HD1  LEU  12          2HD1      LEU  12   9.273   6.847  -4.254
   82   3HD1  LEU  12          3HD1      LEU  12   7.554   6.844  -3.796
   83   1HD2  LEU  12          1HD2      LEU  12   7.147   9.773  -3.471
   84   2HD2  LEU  12          2HD2      LEU  12   6.661   8.658  -2.187
   85   3HD2  LEU  12          3HD2      LEU  12   7.731  10.032  -1.826
   86    H    HIS  13           H        HIS  13   7.369   5.485   1.122
   87    HA   HIS  13           HA       HIS  13   9.787   3.766   1.370
   88   1HB   HIS  13          1HB       HIS  13   8.447   5.118   3.244
   89   2HB   HIS  13          2HB       HIS  13   7.460   3.682   3.299
   90    HD1  HIS  13           HD1      HIS  13   8.641   1.615   4.665
   91    HD2  HIS  13           HD2      HIS  13  11.060   4.974   3.859
   92    HE1  HIS  13           HE1      HIS  13  10.685   1.428   6.171
   93    H    ARG  14           H        ARG  14   8.985   2.946  -0.830
   94    HA   ARG  14           HA       ARG  14   6.498   1.786  -1.266
   95   1HB   ARG  14          1HB       ARG  14   9.185   1.239  -2.597
   96   2HB   ARG  14          2HB       ARG  14   7.675   0.536  -3.173
   97   1HG   ARG  14          1HG       ARG  14   6.696   2.842  -3.369
   98   2HG   ARG  14          2HG       ARG  14   8.258   3.521  -2.895
   99   1HD   ARG  14          1HD       ARG  14   7.957   3.631  -5.311
  100   2HD   ARG  14          2HD       ARG  14   9.306   2.596  -4.842
  101    HE   ARG  14           HE       ARG  14   7.002   0.967  -5.136
  102   1HH1  ARG  14          2HH2      ARG  14   9.004   2.961  -7.292
  103   2HH1  ARG  14          1HH2      ARG  14   8.984   1.826  -8.593
  104   1HH2  ARG  14          2HH1      ARG  14   6.984  -0.579  -6.931
  105   2HH2  ARG  14          1HH1      ARG  14   7.848  -0.177  -8.376
  106    H    VAL  15           H        VAL  15   5.505  -0.210  -1.219
  107    HA   VAL  15           HA       VAL  15   7.007  -2.508  -0.114
  108    HB   VAL  15           HB       VAL  15   5.432  -2.925   1.593
  109   1HG1  VAL  15          1HG1      VAL  15   5.973  -1.224   3.174
  110   2HG1  VAL  15          2HG1      VAL  15   7.337  -1.335   2.020
  111   3HG1  VAL  15          3HG1      VAL  15   6.133  -0.045   1.859
  112   1HG2  VAL  15          1HG2      VAL  15   3.326  -1.973   0.624
  113   2HG2  VAL  15          2HG2      VAL  15   3.614  -1.520   2.285
  114   3HG2  VAL  15          3HG2      VAL  15   3.948  -0.342   0.988
  115    H    CYS  16           H        CYS  16   5.890  -4.539  -0.195
  116    HA   CYS  16           HA       CYS  16   4.005  -4.804  -2.436
  117   1HB   CYS  16          1HB       CYS  16   6.083  -6.084  -2.186
  118   2HB   CYS  16          2HB       CYS  16   5.598  -6.692  -0.645
  119    H    GLY  17           H        GLY  17   1.798  -5.291  -2.143
  120   1HA   GLY  17          1HA       GLY  17   0.876  -6.273   0.510
  121   2HA   GLY  17          2HA       GLY  17  -0.159  -5.710  -0.806
  122    H    SER  18           H        SER  18  -0.473  -8.179   0.399
  123    HA   SER  18           HA       SER  18   0.735 -10.372  -0.301
  124   1HB   SER  18          1HB       SER  18  -1.311 -11.566   0.220
  125   2HB   SER  18          2HB       SER  18  -1.277 -10.085   1.126
  126    HG   SER  18           HG       SER  18  -2.820 -10.491  -1.201
  127    H    ASP  19           H        ASP  19  -1.443  -8.939  -2.664
  128    HA   ASP  19           HA       ASP  19  -1.332 -11.122  -4.516
  129   1HB   ASP  19          1HB       ASP  19  -2.380  -8.327  -4.398
  130   2HB   ASP  19          2HB       ASP  19  -1.989  -8.901  -6.014
  131    H    GLY  20           H        GLY  20   1.252  -9.260  -3.570
  132   1HA   GLY  20          1HA       GLY  20   3.372  -9.053  -4.641
  133   2HA   GLY  20          2HA       GLY  20   2.639  -9.399  -6.207
  134    H    ASN  21           H        ASN  21   0.502  -7.436  -4.852
  135    HA   ASN  21           HA       ASN  21   0.920  -5.368  -6.660
  136   1HB   ASN  21          1HB       ASN  21  -1.227  -6.435  -5.704
  137   2HB   ASN  21          2HB       ASN  21  -1.032  -5.350  -4.327
  138   1HD2  ASN  21          1HD2      ASN  21  -2.902  -5.652  -6.930
  139   2HD2  ASN  21          2HD2      ASN  21  -3.009  -3.970  -7.422
  140    H    THR  22           H        THR  22   2.797  -4.050  -6.269
  141    HA   THR  22           HA       THR  22   3.565  -3.193  -3.750
  142    HB   THR  22           HB       THR  22   4.243  -1.867  -6.386
  143    HG1  THR  22           HG1      THR  22   5.572  -3.449  -6.696
  144   1HG2  THR  22          1HG2      THR  22   6.449  -1.428  -5.227
  145   2HG2  THR  22          2HG2      THR  22   5.101  -0.561  -4.459
  146   3HG2  THR  22          3HG2      THR  22   5.764  -2.040  -3.734
  147    H    TYR  23           H        TYR  23   3.359  -1.204  -2.614
  148    HA   TYR  23           HA       TYR  23   1.550   0.914  -3.658
  149   1HB   TYR  23          1HB       TYR  23   1.829  -0.279  -0.857
  150   2HB   TYR  23          2HB       TYR  23   1.101   1.280  -1.148
  151    HD1  TYR  23           HD1      TYR  23  -1.197   1.509  -1.601
  152    HD2  TYR  23           HD2      TYR  23   0.677  -2.363  -1.974
  153    HE1  TYR  23           HE1      TYR  23  -3.426   0.450  -1.769
  154    HE2  TYR  23           HE2      TYR  23  -1.525  -3.421  -2.171
  155    HH   TYR  23           HH       TYR  23  -3.808  -3.059  -2.326
  156    H    SER  24           H        SER  24   2.204   3.052  -2.960
  157    HA   SER  24           HA       SER  24   4.869   3.696  -2.873
  158   1HB   SER  24          1HB       SER  24   2.630   5.348  -1.694
  159   2HB   SER  24          2HB       SER  24   4.104   5.919  -2.495
  160    HG   SER  24           HG       SER  24   3.148   5.658  -4.368
  161    H    ASN  25           H        ASN  25   2.776   2.916  -0.085
  162    HA   ASN  25           HA       ASN  25   4.996   2.605   1.613
  163   1HB   ASN  25          1HB       ASN  25   4.319   4.279   3.384
  164   2HB   ASN  25          2HB       ASN  25   5.088   4.922   1.975
  165   1HD2  ASN  25          1HD2      ASN  25   4.289   6.844   1.447
  166   2HD2  ASN  25          2HD2      ASN  25   2.675   7.423   1.859
  167    HA   PRO  26           HA       PRO  26   2.145  -0.242   3.240
  168   1HB   PRO  26          1HB       PRO  26   2.878  -0.666   5.806
  169   2HB   PRO  26          2HB       PRO  26   3.899  -1.138   4.426
  170   1HG   PRO  26          1HG       PRO  26   4.098   1.357   6.146
  171   2HG   PRO  26          2HG       PRO  26   5.410   0.248   5.622
  172   1HD   PRO  26          1HD       PRO  26   4.875   2.580   4.355
  173   2HD   PRO  26          2HD       PRO  26   5.461   1.163   3.469
  174    H    CYS  27           H        CYS  27   2.333   2.906   4.669
  175    HA   CYS  27           HA       CYS  27   0.042   2.849   6.366
  176   1HB   CYS  27          1HB       CYS  27   1.971   4.669   6.076
  177   2HB   CYS  27          2HB       CYS  27   0.871   5.337   4.874
  178    H    MET  28           H        MET  28   0.465   3.778   2.859
  179    HA   MET  28           HA       MET  28  -2.355   4.126   2.494
  180   1HB   MET  28          1HB       MET  28  -0.084   3.755   0.560
  181   2HB   MET  28          2HB       MET  28  -1.766   3.626   0.039
  182   1HG   MET  28          1HG       MET  28  -1.944   5.903   1.513
  183   2HG   MET  28          2HG       MET  28  -0.271   6.027   0.982
  184   1HE   MET  28          1HE       MET  28  -1.106   5.717  -3.034
  185   2HE   MET  28          2HE       MET  28   0.251   5.819  -1.888
  186   3HE   MET  28          3HE       MET  28  -0.800   4.380  -1.916
  187    H    LEU  29           H        LEU  29  -0.386   1.176   2.376
  188    HA   LEU  29           HA       LEU  29  -2.420  -0.566   1.312
  189   1HB   LEU  29          1HB       LEU  29  -0.330  -1.365   1.350
  190   2HB   LEU  29          2HB       LEU  29   0.000  -0.975   3.049
  191    HG   LEU  29           HG       LEU  29  -1.493  -3.192   1.929
  192   1HD1  LEU  29          1HD1      LEU  29   0.379  -4.591   2.490
  193   2HD1  LEU  29          2HD1      LEU  29   0.967  -3.214   1.563
  194   3HD1  LEU  29          3HD1      LEU  29   1.181  -3.236   3.322
  195   1HD2  LEU  29          1HD2      LEU  29  -1.256  -4.273   4.247
  196   2HD2  LEU  29          2HD2      LEU  29  -0.852  -2.671   4.862
  197   3HD2  LEU  29          3HD2      LEU  29  -2.464  -3.011   4.156
  198    H    THR  30           H        THR  30  -1.407  -0.209   4.683
  199    HA   THR  30           HA       THR  30  -3.697  -1.544   5.681
  200    HB   THR  30           HB       THR  30  -1.552  -0.735   6.874
  201    HG1  THR  30           HG1      THR  30  -2.438  -1.452   8.695
  202   1HG2  THR  30          1HG2      THR  30  -3.461   1.429   7.743
  203   2HG2  THR  30          2HG2      THR  30  -1.849   1.097   8.421
  204   3HG2  THR  30          3HG2      THR  30  -2.012   1.618   6.732
  205    H    CYS  31           H        CYS  31  -3.332   1.986   5.009
  206    HA   CYS  31           HA       CYS  31  -5.747   2.804   5.814
  207   1HB   CYS  31          1HB       CYS  31  -4.383   4.551   4.953
  208   2HB   CYS  31          2HB       CYS  31  -3.981   3.610   3.525
  209    H    ALA  32           H        ALA  32  -4.971   1.799   2.441
  210    HA   ALA  32           HA       ALA  32  -7.381   1.536   1.220
  211   1HB   ALA  32          1HB       ALA  32  -6.367  -0.214  -0.120
  212   2HB   ALA  32          2HB       ALA  32  -5.187   1.097   0.181
  213   3HB   ALA  32          3HB       ALA  32  -5.081  -0.436   1.056
  214    H    LYS  33           H        LYS  33  -5.823  -0.784   3.308
  215    HA   LYS  33           HA       LYS  33  -7.612  -2.978   3.020
  216   1HB   LYS  33          1HB       LYS  33  -5.317  -3.034   4.080
  217   2HB   LYS  33          2HB       LYS  33  -6.069  -2.404   5.558
  218   1HG   LYS  33          1HG       LYS  33  -7.596  -4.321   5.648
  219   2HG   LYS  33          2HG       LYS  33  -6.909  -4.940   4.125
  220   1HD   LYS  33          1HD       LYS  33  -4.856  -5.404   4.973
  221   2HD   LYS  33          2HD       LYS  33  -5.065  -4.452   6.374
  222   1HE   LYS  33          1HE       LYS  33  -6.814  -6.840   5.672
  223   2HE   LYS  33          2HE       LYS  33  -5.355  -7.047   6.613
  224   1HZ   LYS  33          1HZ       LYS  33  -6.380  -5.864   8.410
  225   2HZ   LYS  33          2HZ       LYS  33  -7.628  -5.354   7.448
  226   3HZ   LYS  33          3HZ       LYS  33  -7.496  -6.935   7.842
  227    H    HIS  34           H        HIS  34  -7.474  -0.615   5.682
  228    HA   HIS  34           HA       HIS  34 -10.075  -1.309   6.718
  229   1HB   HIS  34          1HB       HIS  34  -7.820   0.423   7.442
  230   2HB   HIS  34          2HB       HIS  34  -9.337   1.288   7.618
  231    HD1  HIS  34           HD1      HIS  34 -10.476   0.891   9.895
  232    HD2  HIS  34           HD2      HIS  34  -7.990  -2.260   8.639
  233    HE1  HIS  34           HE1      HIS  34 -10.484  -0.844  11.778
  234    H    GLU  35           H        GLU  35  -9.084   0.807   4.056
  235    HA   GLU  35           HA       GLU  35 -11.469   2.428   4.250
  236   1HB   GLU  35          1HB       GLU  35  -9.115   2.900   3.140
  237   2HB   GLU  35          2HB       GLU  35  -9.845   2.112   1.760
  238   1HG   GLU  35          1HG       GLU  35 -11.464   4.265   2.866
  239   2HG   GLU  35          2HG       GLU  35  -9.902   4.814   2.382
  240    H    GLY  36           H        GLY  36 -10.402  -0.194   1.997
  241   1HA   GLY  36          1HA       GLY  36 -13.124  -1.300   1.860
  242   2HA   GLY  36          2HA       GLY  36 -12.620  -0.411   0.426
  243    H    ASN  37           H        ASN  37 -10.081  -2.213   2.189
  244    HA   ASN  37           HA       ASN  37 -10.181  -4.292   0.007
  245   1HB   ASN  37          1HB       ASN  37  -8.342  -2.343  -0.142
  246   2HB   ASN  37          2HB       ASN  37  -7.547  -3.248   1.066
  247   1HD2  ASN  37          1HD2      ASN  37  -6.384  -2.874  -1.480
  248   2HD2  ASN  37          2HD2      ASN  37  -6.354  -4.475  -2.197
  249    HA   PRO  38           HA       PRO  38 -10.084  -5.828   4.450
  250   1HB   PRO  38          1HB       PRO  38 -12.108  -7.701   4.358
  251   2HB   PRO  38          2HB       PRO  38 -12.372  -5.967   4.704
  252   1HG   PRO  38          1HG       PRO  38 -12.606  -7.368   2.016
  253   2HG   PRO  38          2HG       PRO  38 -13.813  -6.304   2.806
  254   1HD   PRO  38          1HD       PRO  38 -12.127  -5.297   0.957
  255   2HD   PRO  38          2HD       PRO  38 -12.448  -4.374   2.459
  256    H    ASP  39           H        ASP  39 -10.063  -7.361   1.327
  257    HA   ASP  39           HA       ASP  39  -8.919  -9.909   1.949
  258   1HB   ASP  39          1HB       ASP  39  -9.683  -8.265  -0.366
  259   2HB   ASP  39          2HB       ASP  39  -8.131  -9.013  -0.639
  260    H    LEU  40           H        LEU  40  -7.496  -6.645   1.839
  261    HA   LEU  40           HA       LEU  40  -4.851  -7.523   0.936
  262   1HB   LEU  40          1HB       LEU  40  -5.451  -5.370   0.253
  263   2HB   LEU  40          2HB       LEU  40  -6.237  -4.987   1.780
  264    HG   LEU  40           HG       LEU  40  -4.260  -4.647   2.908
  265   1HD1  LEU  40          1HD1      LEU  40  -2.456  -4.486   0.591
  266   2HD1  LEU  40          2HD1      LEU  40  -2.223  -5.123   2.264
  267   3HD1  LEU  40          3HD1      LEU  40  -2.933  -6.132   1.014
  268   1HD2  LEU  40          1HD2      LEU  40  -3.513  -2.570   1.653
  269   2HD2  LEU  40          2HD2      LEU  40  -4.474  -3.123   0.286
  270   3HD2  LEU  40          3HD2      LEU  40  -5.254  -2.747   1.808
  271    H    VAL  41           H        VAL  41  -3.060  -7.414   2.396
  272    HA   VAL  41           HA       VAL  41  -3.575  -7.297   5.264
  273    HB   VAL  41           HB       VAL  41  -2.421  -9.457   5.573
  274   1HG1  VAL  41          1HG1      VAL  41  -4.907  -9.884   3.881
  275   2HG1  VAL  41          2HG1      VAL  41  -4.263 -10.926   5.149
  276   3HG1  VAL  41          3HG1      VAL  41  -4.927  -9.335   5.575
  277   1HG2  VAL  41          1HG2      VAL  41  -1.297  -9.656   3.368
  278   2HG2  VAL  41          2HG2      VAL  41  -2.229 -11.092   3.762
  279   3HG2  VAL  41          3HG2      VAL  41  -2.882  -9.931   2.594
  280    H    GLN  42           H        GLN  42  -1.555  -6.792   6.363
  281    HA   GLN  42           HA       GLN  42   0.638  -5.811   4.689
  282   1HB   GLN  42          1HB       GLN  42   0.049  -4.680   6.849
  283   2HB   GLN  42          2HB       GLN  42   0.434  -6.166   7.703
  284   1HG   GLN  42          1HG       GLN  42   2.390  -4.893   7.940
  285   2HG   GLN  42          2HG       GLN  42   2.797  -6.009   6.647
  286   1HE2  GLN  42          1HE2      GLN  42   4.303  -4.774   5.438
  287   2HE2  GLN  42          2HE2      GLN  42   3.925  -3.204   4.808
  288    H    VAL  43           H        VAL  43   1.115  -7.763   3.516
  289    HA   VAL  43           HA       VAL  43   1.825 -10.219   4.631
  290    HB   VAL  43           HB       VAL  43   3.467 -10.231   2.550
  291   1HG1  VAL  43          1HG1      VAL  43   0.486 -10.145   2.088
  292   2HG1  VAL  43          2HG1      VAL  43   1.733 -11.125   1.242
  293   3HG1  VAL  43          3HG1      VAL  43   1.287 -11.510   2.889
  294   1HG2  VAL  43          1HG2      VAL  43   3.256  -7.854   1.941
  295   2HG2  VAL  43          2HG2      VAL  43   2.558  -8.874   0.683
  296   3HG2  VAL  43          3HG2      VAL  43   1.493  -7.999   1.792
  297    H    HIS  44           H        HIS  44   3.823  -7.354   3.834
  298    HA   HIS  44           HA       HIS  44   5.603  -7.294   5.956
  299   1HB   HIS  44          1HB       HIS  44   6.531  -9.368   5.426
  300   2HB   HIS  44          2HB       HIS  44   6.307  -9.166   3.698
  301    HD1  HIS  44           HD1      HIS  44   8.644  -7.521   6.400
  302    HD2  HIS  44           HD2      HIS  44   8.506  -9.007   2.453
  303    HE1  HIS  44           HE1      HIS  44  10.980  -7.217   5.404
  304    H    GLU  45           H        GLU  45   7.662  -5.934   4.900
  305    HA   GLU  45           HA       GLU  45   6.422  -3.822   3.245
  306   1HB   GLU  45          1HB       GLU  45   8.229  -2.362   4.022
  307   2HB   GLU  45          2HB       GLU  45   7.131  -2.899   5.267
  308   1HG   GLU  45          1HG       GLU  45   8.876  -3.411   6.535
  309   2HG   GLU  45          2HG       GLU  45   9.214  -4.767   5.476
  310    H    GLY  46           H        GLY  46   8.865  -2.841   2.120
  311   1HA   GLY  46          1HA       GLY  46  10.492  -3.327   0.582
  312   2HA   GLY  46          2HA       GLY  46  10.239  -5.063   0.834
  313    HA   PRO  47           HA       PRO  47   7.472  -3.396  -2.723
  314   1HB   PRO  47          1HB       PRO  47   8.867  -2.405  -4.779
  315   2HB   PRO  47          2HB       PRO  47   8.566  -1.460  -3.287
  316   1HG   PRO  47          1HG       PRO  47  11.095  -3.039  -3.954
  317   2HG   PRO  47          2HG       PRO  47  10.972  -1.316  -3.481
  318   1HD   PRO  47          1HD       PRO  47  11.413  -3.305  -1.655
  319   2HD   PRO  47          2HD       PRO  47  10.453  -1.864  -1.254
  320    H    CYS  48           H        CYS  48   6.656  -5.156  -3.818
  321    HA   CYS  48           HA       CYS  48   8.445  -7.364  -4.597
  322   1HB   CYS  48          1HB       CYS  48   5.458  -6.937  -4.887
  323   2HB   CYS  48          2HB       CYS  48   6.299  -8.280  -5.643
  324    H    ASP  49           H        ASP  49   6.151  -5.254  -6.430
  325    HA   ASP  49           HA       ASP  49   7.214  -5.922  -8.924
  326   1HB   ASP  49          1HB       ASP  49   4.858  -5.098  -8.255
  327   2HB   ASP  49          2HB       ASP  49   5.538  -3.474  -8.390
  328    H    GLU  50           H        GLU  50   7.795  -3.756 -10.474
  329    HA   GLU  50           HA       GLU  50  10.484  -3.605  -9.453
  330   1HB   GLU  50          1HB       GLU  50  11.140  -2.644 -11.601
  331   2HB   GLU  50          2HB       GLU  50  10.332  -4.204 -11.661
  332   1HG   GLU  50          1HG       GLU  50   8.292  -3.194 -12.521
  333   2HG   GLU  50          2HG       GLU  50   8.965  -1.568 -12.314
  334    H    HIS  51           H        HIS  51  11.698  -2.092  -8.710
  335    HA   HIS  51           HA       HIS  51  10.450   0.377  -7.803
  336   1HB   HIS  51          1HB       HIS  51  11.622  -0.958  -6.174
  337   2HB   HIS  51          2HB       HIS  51  13.095  -0.974  -7.172
  338    HD1  HIS  51           HD1      HIS  51  14.792   0.713  -6.407
  339    HD2  HIS  51           HD2      HIS  51  10.845   1.926  -5.861
  340    HE1  HIS  51           HE1      HIS  51  14.877   2.950  -5.035
  341    H    ASP  52           H        ASP  52  13.599  -0.444  -9.211
  342    HA   ASP  52           HA       ASP  52  14.412   2.124  -9.789
  343   1HB   ASP  52          1HB       ASP  52  15.445  -0.567 -10.776
  344   2HB   ASP  52          2HB       ASP  52  16.305   0.974 -10.882
  345    H    HIS  53           H        HIS  53  12.208   2.443 -11.041
  346    HA   HIS  53           HA       HIS  53  12.006   1.781 -13.827
  347   1HB   HIS  53          1HB       HIS  53  10.075   2.220 -12.390
  348   2HB   HIS  53          2HB       HIS  53  10.620   3.874 -12.109
  349    HD1  HIS  53           HD1      HIS  53   9.816   5.636 -13.813
  350    HD2  HIS  53           HD2      HIS  53   9.348   1.666 -15.107
  351    HE1  HIS  53           HE1      HIS  53   8.293   5.713 -15.887
  352    H    ASP  54           H        ASP  54  14.329   2.398 -14.036
  353    HA   ASP  54           HA       ASP  54  15.129   5.140 -14.383
  354   1HB   ASP  54          1HB       ASP  54  16.582   3.161 -13.836
  355   2HB   ASP  54          2HB       ASP  54  16.397   2.604 -15.498
  356    H    PHE  55           H        PHE  55  13.550   2.818 -16.597
  357    HA   PHE  55           HA       PHE  55  12.887   4.833 -18.393
  358   1HB   PHE  55          2HB       PHE  55  15.351   3.744 -19.096
  359   2HB   PHE  55          1HB       PHE  55  14.252   2.679 -19.948
  360    HD1  PHE  55           HD1      PHE  55  15.449   6.144 -19.536
  361    HD2  PHE  55           HD2      PHE  55  12.831   3.579 -21.786
  362    HE1  PHE  55           HE1      PHE  55  15.202   7.920 -21.258
  363    HE2  PHE  55           HE2      PHE  55  12.586   5.348 -23.523
  364    HZ   PHE  55           HZ       PHE  55  13.773   7.522 -23.259
  Start of MODEL   12
    1   1H    PHE   1          1H        PHE   1 -15.853   4.162   5.932
    2   2H    PHE   1          2H        PHE   1 -15.650   5.788   5.691
    3   3H    PHE   1          3H        PHE   1 -16.345   4.858   4.520
    4    HA   PHE   1           HA       PHE   1 -13.539   4.615   5.392
    5   1HB   PHE   1          2HB       PHE   1 -13.453   3.247   3.269
    6   2HB   PHE   1          1HB       PHE   1 -14.011   2.536   4.762
    7    HD1  PHE   1           HD1      PHE   1 -14.984   3.573   1.342
    8    HD2  PHE   1           HD2      PHE   1 -16.373   1.797   5.028
    9    HE1  PHE   1           HE1      PHE   1 -17.076   2.865   0.224
   10    HE2  PHE   1           HE2      PHE   1 -18.463   1.101   3.899
   11    HZ   PHE   1           HZ       PHE   1 -18.825   1.636   1.499
   12    H    GLN   2           H        GLN   2 -13.157   6.801   5.273
   13    HA   GLN   2           HA       GLN   2 -11.528   6.841   3.121
   14   1HB   GLN   2          1HB       GLN   2 -13.704   8.129   2.180
   15   2HB   GLN   2          2HB       GLN   2 -13.078   9.437   3.184
   16   1HG   GLN   2          1HG       GLN   2 -10.829   9.057   1.962
   17   2HG   GLN   2          2HG       GLN   2 -11.715   7.979   0.881
   18   1HE2  GLN   2          1HE2      GLN   2 -10.376  10.885   0.680
   19   2HE2  GLN   2          2HE2      GLN   2 -11.648  11.747  -0.174
   20    H    GLY   3           H        GLY   3  -9.840   8.450   3.749
   21   1HA   GLY   3          1HA       GLY   3  -8.756  10.076   4.937
   22   2HA   GLY   3          2HA       GLY   3 -10.314  10.522   5.628
   23    H    ASN   4           H        ASN   4 -10.976   8.420   7.254
   24    HA   ASN   4           HA       ASN   4  -9.206   8.671   9.506
   25   1HB   ASN   4          1HB       ASN   4 -11.417   6.617   9.012
   26   2HB   ASN   4          2HB       ASN   4 -10.570   6.849  10.535
   27   1HD2  ASN   4          1HD2      ASN   4 -10.725   9.159  11.538
   28   2HD2  ASN   4          2HD2      ASN   4 -12.257   9.967  11.256
   29    HA   PRO   5           HA       PRO   5  -7.088   4.600   7.972
   30   1HB   PRO   5          1HB       PRO   5  -7.506   4.084   5.298
   31   2HB   PRO   5          2HB       PRO   5  -8.292   3.188   6.638
   32   1HG   PRO   5          1HG       PRO   5  -9.347   5.374   4.867
   33   2HG   PRO   5          2HG       PRO   5 -10.175   3.906   5.461
   34   1HD   PRO   5          1HD       PRO   5 -10.565   6.336   6.630
   35   2HD   PRO   5          2HD       PRO   5 -10.541   4.843   7.593
   36    H    CYS   6           H        CYS   6  -7.941   6.768   5.232
   37    HA   CYS   6           HA       CYS   6  -5.114   6.836   4.555
   38   1HB   CYS   6          1HB       CYS   6  -7.559   7.740   3.030
   39   2HB   CYS   6          2HB       CYS   6  -5.918   7.651   2.400
   40    H    GLU   7           H        GLU   7  -4.590   8.174   6.449
   41    HA   GLU   7           HA       GLU   7  -3.876  10.665   5.143
   42   1HB   GLU   7          1HB       GLU   7  -5.728  10.974   7.121
   43   2HB   GLU   7          2HB       GLU   7  -4.273  10.917   8.114
   44   1HG   GLU   7          1HG       GLU   7  -4.938  12.838   5.840
   45   2HG   GLU   7          2HG       GLU   7  -4.802  13.224   7.553
   46    H    CYS   8           H        CYS   8  -1.630  10.914   5.393
   47    HA   CYS   8           HA       CYS   8   0.078   9.803   7.248
   48   1HB   CYS   8          1HB       CYS   8  -1.027   7.723   5.549
   49   2HB   CYS   8          2HB       CYS   8   0.678   7.890   5.173
   50    HA   PRO   9           HA       PRO   9   2.725  12.128   4.654
   51   1HB   PRO   9          1HB       PRO   9   5.247  11.120   4.813
   52   2HB   PRO   9          2HB       PRO   9   4.408  11.788   6.249
   53   1HG   PRO   9          1HG       PRO   9   4.627   8.875   5.410
   54   2HG   PRO   9          2HG       PRO   9   4.958   9.588   7.021
   55   1HD   PRO   9          1HD       PRO   9   2.576   8.428   6.360
   56   2HD   PRO   9          2HD       PRO   9   2.680   9.809   7.486
   57    H    ARG  10           H        ARG  10   3.742  12.279   2.580
   58    HA   ARG  10           HA       ARG  10   3.281  10.001   0.745
   59   1HB   ARG  10          1HB       ARG  10   4.312  12.840   0.286
   60   2HB   ARG  10          2HB       ARG  10   4.000  11.653  -0.989
   61   1HG   ARG  10          1HG       ARG  10   1.621  11.581  -0.439
   62   2HG   ARG  10          2HG       ARG  10   1.862  12.652   0.948
   63   1HD   ARG  10          1HD       ARG  10   2.635  14.462  -0.591
   64   2HD   ARG  10          2HD       ARG  10   2.338  13.392  -1.963
   65    HE   ARG  10           HE       ARG  10   0.109  13.776  -1.825
   66   1HH1  ARG  10          2HH2      ARG  10   1.521  14.941   1.201
   67   2HH1  ARG  10          1HH2      ARG  10   0.052  15.608   1.822
   68   1HH2  ARG  10          2HH1      ARG  10  -1.858  14.699  -1.034
   69   2HH2  ARG  10          1HH1      ARG  10  -1.896  15.485   0.500
   70    H    ALA  11           H        ALA  11   5.057   9.350   2.749
   71    HA   ALA  11           HA       ALA  11   7.736   9.405   1.940
   72   1HB   ALA  11          1HB       ALA  11   7.076   9.097   4.303
   73   2HB   ALA  11          2HB       ALA  11   6.179   7.624   3.864
   74   3HB   ALA  11          3HB       ALA  11   7.948   7.664   3.718
   75    H    LEU  12           H        LEU  12   8.562   8.216   0.283
   76    HA   LEU  12           HA       LEU  12   7.038   6.229  -1.127
   77   1HB   LEU  12          1HB       LEU  12   9.719   7.625  -1.332
   78   2HB   LEU  12          2HB       LEU  12   9.423   6.231  -2.320
   79    HG   LEU  12           HG       LEU  12   9.032   8.435  -3.364
   80   1HD1  LEU  12          1HD1      LEU  12   8.215   6.331  -4.361
   81   2HD1  LEU  12          2HD1      LEU  12   6.703   6.457  -3.431
   82   3HD1  LEU  12          3HD1      LEU  12   7.090   7.652  -4.689
   83   1HD2  LEU  12          1HD2      LEU  12   6.905   9.574  -3.167
   84   2HD2  LEU  12          2HD2      LEU  12   6.416   8.507  -1.835
   85   3HD2  LEU  12          3HD2      LEU  12   7.797   9.619  -1.647
   86    H    HIS  13           H        HIS  13   7.026   5.036   1.177
   87    HA   HIS  13           HA       HIS  13   9.196   2.989   1.344
   88   1HB   HIS  13          1HB       HIS  13   6.665   3.482   2.921
   89   2HB   HIS  13          2HB       HIS  13   7.347   1.865   2.825
   90    HD1  HIS  13           HD1      HIS  13   8.461   1.381   5.034
   91    HD2  HIS  13           HD2      HIS  13   9.238   5.242   3.455
   92    HE1  HIS  13           HE1      HIS  13  10.128   2.522   6.607
   93    H    ARG  14           H        ARG  14   9.014   2.519  -0.968
   94    HA   ARG  14           HA       ARG  14   6.588   1.453  -2.096
   95   1HB   ARG  14          1HB       ARG  14   9.526   1.420  -2.817
   96   2HB   ARG  14          2HB       ARG  14   8.413   0.439  -3.736
   97   1HG   ARG  14          1HG       ARG  14   7.928   3.432  -3.191
   98   2HG   ARG  14          2HG       ARG  14   8.828   2.861  -4.578
   99   1HD   ARG  14          1HD       ARG  14   5.888   2.292  -3.979
  100   2HD   ARG  14          2HD       ARG  14   6.562   3.299  -5.281
  101    HE   ARG  14           HE       ARG  14   7.536   0.582  -5.212
  102   1HH1  ARG  14          2HH2      ARG  14   4.650   2.254  -6.370
  103   2HH1  ARG  14          1HH2      ARG  14   4.580   1.339  -7.855
  104   1HH2  ARG  14          2HH1      ARG  14   7.751  -0.039  -7.452
  105   2HH2  ARG  14          1HH1      ARG  14   6.305  -0.348  -8.335
  106    H    VAL  15           H        VAL  15   5.666   0.011  -0.699
  107    HA   VAL  15           HA       VAL  15   7.123  -2.475   0.016
  108    HB   VAL  15           HB       VAL  15   5.439  -2.826   1.656
  109   1HG1  VAL  15          1HG1      VAL  15   6.491  -0.005   1.894
  110   2HG1  VAL  15          2HG1      VAL  15   6.132  -1.134   3.200
  111   3HG1  VAL  15          3HG1      VAL  15   7.487  -1.433   2.093
  112   1HG2  VAL  15          1HG2      VAL  15   4.232  -0.121   0.850
  113   2HG2  VAL  15          2HG2      VAL  15   3.458  -1.708   0.614
  114   3HG2  VAL  15          3HG2      VAL  15   3.764  -1.128   2.236
  115    H    CYS  16           H        CYS  16   6.157  -4.581  -0.301
  116    HA   CYS  16           HA       CYS  16   4.114  -4.696  -2.417
  117   1HB   CYS  16          1HB       CYS  16   6.073  -6.225  -2.303
  118   2HB   CYS  16          2HB       CYS  16   5.463  -6.910  -0.880
  119    H    GLY  17           H        GLY  17   1.905  -4.825  -1.963
  120   1HA   GLY  17          1HA       GLY  17   1.136  -5.865   0.726
  121   2HA   GLY  17          2HA       GLY  17   0.054  -5.087  -0.437
  122    H    SER  18           H        SER  18  -0.220  -7.604   0.692
  123    HA   SER  18           HA       SER  18   0.458  -9.799  -0.060
  124   1HB   SER  18          1HB       SER  18  -1.787 -10.680   0.380
  125   2HB   SER  18          2HB       SER  18  -1.373  -9.304   1.338
  126    HG   SER  18           HG       SER  18  -3.222  -9.095  -0.892
  127    H    ASP  19           H        ASP  19  -1.775  -8.405  -2.332
  128    HA   ASP  19           HA       ASP  19  -1.770 -10.636  -4.060
  129   1HB   ASP  19          1HB       ASP  19  -2.870  -7.805  -4.166
  130   2HB   ASP  19          2HB       ASP  19  -3.285  -9.039  -5.356
  131    H    GLY  20           H        GLY  20   0.912  -9.478  -3.729
  132   1HA   GLY  20          1HA       GLY  20   2.806  -8.884  -4.930
  133   2HA   GLY  20          2HA       GLY  20   1.913  -9.092  -6.439
  134    H    ASN  21           H        ASN  21   0.111  -7.139  -4.550
  135    HA   ASN  21           HA       ASN  21   0.211  -5.003  -6.336
  136   1HB   ASN  21          1HB       ASN  21  -1.723  -6.184  -5.139
  137   2HB   ASN  21          2HB       ASN  21  -1.327  -5.250  -3.710
  138   1HD2  ASN  21          1HD2      ASN  21  -2.730  -5.248  -6.955
  139   2HD2  ASN  21          2HD2      ASN  21  -3.468  -3.667  -6.799
  140    H    THR  22           H        THR  22   2.330  -3.980  -6.059
  141    HA   THR  22           HA       THR  22   3.337  -3.294  -3.554
  142    HB   THR  22           HB       THR  22   4.080  -2.133  -6.233
  143    HG1  THR  22           HG1      THR  22   4.285  -4.432  -5.942
  144   1HG2  THR  22          1HG2      THR  22   4.935  -0.750  -4.260
  145   2HG2  THR  22          2HG2      THR  22   5.713  -2.217  -3.651
  146   3HG2  THR  22          3HG2      THR  22   6.219  -1.546  -5.185
  147    H    TYR  23           H        TYR  23   3.310  -1.227  -2.373
  148    HA   TYR  23           HA       TYR  23   1.432   0.881  -3.285
  149   1HB   TYR  23          1HB       TYR  23   1.775  -0.371  -0.520
  150   2HB   TYR  23          2HB       TYR  23   1.059   1.199  -0.773
  151    HD1  TYR  23           HD1      TYR  23   0.638  -2.418  -1.378
  152    HD2  TYR  23           HD2      TYR  23  -1.234   1.464  -1.566
  153    HE1  TYR  23           HE1      TYR  23  -1.516  -3.488  -1.931
  154    HE2  TYR  23           HE2      TYR  23  -3.407   0.391  -2.100
  155    HH   TYR  23           HH       TYR  23  -3.415  -2.525  -3.465
  156    H    SER  24           H        SER  24   2.134   2.953  -2.790
  157    HA   SER  24           HA       SER  24   4.803   3.566  -2.523
  158   1HB   SER  24          1HB       SER  24   2.498   5.385  -1.760
  159   2HB   SER  24          2HB       SER  24   4.074   5.835  -2.444
  160    HG   SER  24           HG       SER  24   2.539   5.814  -4.081
  161    H    ASN  25           H        ASN  25   2.669   2.752   0.157
  162    HA   ASN  25           HA       ASN  25   4.815   2.572   1.880
  163   1HB   ASN  25          1HB       ASN  25   4.099   4.119   3.718
  164   2HB   ASN  25          2HB       ASN  25   4.951   4.809   2.368
  165   1HD2  ASN  25          1HD2      ASN  25   4.197   6.683   1.678
  166   2HD2  ASN  25          2HD2      ASN  25   2.651   7.373   2.186
  167    HA   PRO  26           HA       PRO  26   2.095  -0.411   3.416
  168   1HB   PRO  26          1HB       PRO  26   2.807  -0.850   5.993
  169   2HB   PRO  26          2HB       PRO  26   3.799  -1.333   4.585
  170   1HG   PRO  26          1HG       PRO  26   4.087   1.154   6.292
  171   2HG   PRO  26          2HG       PRO  26   5.362   0.017   5.762
  172   1HD   PRO  26          1HD       PRO  26   4.897   2.356   4.481
  173   2HD   PRO  26          2HD       PRO  26   5.358   0.903   3.576
  174    H    CYS  27           H        CYS  27   2.301   2.707   5.002
  175    HA   CYS  27           HA       CYS  27  -0.081   2.585   6.575
  176   1HB   CYS  27          1HB       CYS  27   1.702   4.413   6.653
  177   2HB   CYS  27          2HB       CYS  27   0.970   5.072   5.192
  178    H    MET  28           H        MET  28   0.453   3.954   3.230
  179    HA   MET  28           HA       MET  28  -2.310   4.247   2.740
  180   1HB   MET  28          1HB       MET  28   0.014   3.928   0.802
  181   2HB   MET  28          2HB       MET  28  -1.622   4.147   0.274
  182   1HG   MET  28          1HG       MET  28  -0.464   6.049   2.331
  183   2HG   MET  28          2HG       MET  28   0.011   6.205   0.646
  184   1HE   MET  28          1HE       MET  28  -3.084   7.184  -1.258
  185   2HE   MET  28          2HE       MET  28  -1.432   6.512  -1.259
  186   3HE   MET  28          3HE       MET  28  -2.823   5.460  -0.919
  187    H    LEU  29           H        LEU  29  -0.315   1.329   2.202
  188    HA   LEU  29           HA       LEU  29  -2.342  -0.341   1.048
  189   1HB   LEU  29          1HB       LEU  29  -0.222  -1.139   1.164
  190   2HB   LEU  29          2HB       LEU  29  -0.042  -0.860   2.918
  191    HG   LEU  29           HG       LEU  29  -1.349  -3.034   1.521
  192   1HD1  LEU  29          1HD1      LEU  29   1.111  -3.003   1.394
  193   2HD1  LEU  29          2HD1      LEU  29   1.189  -3.000   3.171
  194   3HD1  LEU  29          3HD1      LEU  29   0.494  -4.383   2.292
  195   1HD2  LEU  29          1HD2      LEU  29  -0.982  -2.563   4.527
  196   2HD2  LEU  29          2HD2      LEU  29  -2.524  -2.871   3.676
  197   3HD2  LEU  29          3HD2      LEU  29  -1.348  -4.146   3.847
  198    H    THR  30           H        THR  30  -1.442  -0.118   4.494
  199    HA   THR  30           HA       THR  30  -3.771  -1.548   5.258
  200    HB   THR  30           HB       THR  30  -1.576  -0.864   6.567
  201    HG1  THR  30           HG1      THR  30  -2.624  -1.714   8.394
  202   1HG2  THR  30          1HG2      THR  30  -2.021   0.585   8.426
  203   2HG2  THR  30          2HG2      THR  30  -2.263   1.450   6.902
  204   3HG2  THR  30          3HG2      THR  30  -3.678   0.905   7.827
  205    H    CYS  31           H        CYS  31  -3.379   1.938   4.763
  206    HA   CYS  31           HA       CYS  31  -5.744   2.778   5.833
  207   1HB   CYS  31          1HB       CYS  31  -5.137   4.780   5.026
  208   2HB   CYS  31          2HB       CYS  31  -3.693   4.037   4.558
  209    H    ALA  32           H        ALA  32  -5.021   1.975   2.434
  210    HA   ALA  32           HA       ALA  32  -7.519   1.800   1.234
  211   1HB   ALA  32          1HB       ALA  32  -5.181  -0.064   0.817
  212   2HB   ALA  32          2HB       ALA  32  -6.524   0.254  -0.291
  213   3HB   ALA  32          3HB       ALA  32  -5.362   1.561   0.115
  214    H    LYS  33           H        LYS  33  -5.826  -0.680   3.032
  215    HA   LYS  33           HA       LYS  33  -7.566  -2.874   2.760
  216   1HB   LYS  33          1HB       LYS  33  -5.238  -2.856   3.687
  217   2HB   LYS  33          2HB       LYS  33  -5.885  -2.138   5.138
  218   1HG   LYS  33          1HG       LYS  33  -7.313  -4.054   5.538
  219   2HG   LYS  33          2HG       LYS  33  -6.692  -4.845   4.075
  220   1HD   LYS  33          1HD       LYS  33  -4.522  -5.040   4.884
  221   2HD   LYS  33          2HD       LYS  33  -4.721  -3.864   6.095
  222   1HE   LYS  33          1HE       LYS  33  -6.352  -6.417   6.001
  223   2HE   LYS  33          2HE       LYS  33  -4.791  -6.340   6.813
  224   1HZ   LYS  33          1HZ       LYS  33  -6.566  -5.994   8.409
  225   2HZ   LYS  33          2HZ       LYS  33  -5.786  -4.547   8.254
  226   3HZ   LYS  33          3HZ       LYS  33  -7.203  -4.769   7.522
  227    H    HIS  34           H        HIS  34  -7.393  -0.605   5.450
  228    HA   HIS  34           HA       HIS  34  -9.880  -1.530   6.624
  229   1HB   HIS  34          1HB       HIS  34  -7.831   0.656   7.124
  230   2HB   HIS  34          2HB       HIS  34  -9.361   0.636   7.940
  231    HD1  HIS  34           HD1      HIS  34  -9.456  -1.137  10.017
  232    HD2  HIS  34           HD2      HIS  34  -6.322  -1.787   7.286
  233    HE1  HIS  34           HE1      HIS  34  -8.111  -3.135  10.889
  234    H    GLU  35           H        GLU  35  -9.014   0.772   4.263
  235    HA   GLU  35           HA       GLU  35 -11.550   2.258   4.397
  236   1HB   GLU  35          1HB       GLU  35  -9.247   2.906   3.255
  237   2HB   GLU  35          2HB       GLU  35  -9.979   2.218   1.828
  238   1HG   GLU  35          1HG       GLU  35 -11.492   4.293   3.423
  239   2HG   GLU  35          2HG       GLU  35 -10.060   4.789   2.556
  240    H    GLY  36           H        GLY  36 -10.434  -0.008   1.808
  241   1HA   GLY  36          1HA       GLY  36 -13.111  -1.278   1.727
  242   2HA   GLY  36          2HA       GLY  36 -12.613  -0.327   0.327
  243    H    ASN  37           H        ASN  37 -10.150  -2.174   2.119
  244    HA   ASN  37           HA       ASN  37 -10.248  -4.361   0.080
  245   1HB   ASN  37          1HB       ASN  37  -8.343  -2.351  -0.172
  246   2HB   ASN  37          2HB       ASN  37  -7.521  -3.370   0.896
  247   1HD2  ASN  37          1HD2      ASN  37  -6.386  -2.946  -1.484
  248   2HD2  ASN  37          2HD2      ASN  37  -6.417  -4.486  -2.317
  249    HA   PRO  38           HA       PRO  38  -9.839  -5.316   4.721
  250   1HB   PRO  38          1HB       PRO  38 -11.812  -7.254   4.984
  251   2HB   PRO  38          2HB       PRO  38 -12.071  -5.497   5.204
  252   1HG   PRO  38          1HG       PRO  38 -12.583  -7.171   2.729
  253   2HG   PRO  38          2HG       PRO  38 -13.657  -5.952   3.482
  254   1HD   PRO  38          1HD       PRO  38 -12.112  -5.336   1.337
  255   2HD   PRO  38          2HD       PRO  38 -12.335  -4.156   2.669
  256    H    ASP  39           H        ASP  39 -10.072  -7.293   1.912
  257    HA   ASP  39           HA       ASP  39  -8.878  -9.733   2.463
  258   1HB   ASP  39          1HB       ASP  39  -8.933  -7.802   0.095
  259   2HB   ASP  39          2HB       ASP  39  -8.418  -9.466  -0.025
  260    H    LEU  40           H        LEU  40  -7.411  -6.554   1.995
  261    HA   LEU  40           HA       LEU  40  -4.770  -7.464   1.060
  262   1HB   LEU  40          1HB       LEU  40  -5.585  -5.298   0.315
  263   2HB   LEU  40          2HB       LEU  40  -6.098  -4.879   1.945
  264    HG   LEU  40           HG       LEU  40  -4.046  -4.463   2.718
  265   1HD1  LEU  40          1HD1      LEU  40  -2.459  -4.321   0.277
  266   2HD1  LEU  40          2HD1      LEU  40  -2.086  -4.990   1.907
  267   3HD1  LEU  40          3HD1      LEU  40  -2.938  -5.963   0.701
  268   1HD2  LEU  40          1HD2      LEU  40  -3.420  -2.415   1.366
  269   2HD2  LEU  40          2HD2      LEU  40  -4.374  -3.039   0.027
  270   3HD2  LEU  40          3HD2      LEU  40  -5.178  -2.572   1.511
  271    H    VAL  41           H        VAL  41  -2.893  -7.409   2.212
  272    HA   VAL  41           HA       VAL  41  -2.971  -6.758   5.042
  273    HB   VAL  41           HB       VAL  41  -1.806  -8.820   5.605
  274   1HG1  VAL  41          1HG1      VAL  41  -4.485  -9.512   4.409
  275   2HG1  VAL  41          2HG1      VAL  41  -3.664 -10.285   5.773
  276   3HG1  VAL  41          3HG1      VAL  41  -4.255  -8.612   5.942
  277   1HG2  VAL  41          1HG2      VAL  41  -2.646  -9.929   2.917
  278   2HG2  VAL  41          2HG2      VAL  41  -0.969  -9.545   3.440
  279   3HG2  VAL  41          3HG2      VAL  41  -1.873 -10.824   4.230
  280    H    GLN  42           H        GLN  42  -0.897  -6.244   5.843
  281    HA   GLN  42           HA       GLN  42   1.177  -5.661   3.850
  282   1HB   GLN  42          1HB       GLN  42   0.778  -4.057   5.693
  283   2HB   GLN  42          2HB       GLN  42   1.200  -5.304   6.868
  284   1HG   GLN  42          1HG       GLN  42   3.317  -5.233   4.901
  285   2HG   GLN  42          2HG       GLN  42   2.945  -3.567   5.280
  286   1HE2  GLN  42          1HE2      GLN  42   3.350  -6.725   6.992
  287   2HE2  GLN  42          2HE2      GLN  42   4.376  -6.049   8.273
  288    H    VAL  43           H        VAL  43   1.392  -7.719   3.072
  289    HA   VAL  43           HA       VAL  43   2.079 -10.063   4.371
  290    HB   VAL  43           HB       VAL  43   3.517 -10.420   2.189
  291   1HG1  VAL  43          1HG1      VAL  43   1.369 -11.475   2.777
  292   2HG1  VAL  43          2HG1      VAL  43   0.529 -10.083   2.059
  293   3HG1  VAL  43          3HG1      VAL  43   1.571 -11.150   1.061
  294   1HG2  VAL  43          1HG2      VAL  43   1.746  -8.045   1.409
  295   2HG2  VAL  43          2HG2      VAL  43   3.514  -8.042   1.456
  296   3HG2  VAL  43          3HG2      VAL  43   2.660  -9.071   0.293
  297    H    HIS  44           H        HIS  44   4.061  -7.165   3.551
  298    HA   HIS  44           HA       HIS  44   5.981  -7.440   5.537
  299   1HB   HIS  44          1HB       HIS  44   7.888  -7.802   3.796
  300   2HB   HIS  44          2HB       HIS  44   7.076  -9.190   4.470
  301    HD1  HIS  44           HD1      HIS  44   5.980 -10.806   2.791
  302    HD2  HIS  44           HD2      HIS  44   7.105  -7.102   1.143
  303    HE1  HIS  44           HE1      HIS  44   5.686 -11.008   0.234
  304    H    GLU  45           H        GLU  45   7.787  -5.773   4.891
  305    HA   GLU  45           HA       GLU  45   6.700  -3.563   3.245
  306   1HB   GLU  45          1HB       GLU  45   9.077  -3.714   5.150
  307   2HB   GLU  45          2HB       GLU  45   8.774  -2.388   4.022
  308   1HG   GLU  45          1HG       GLU  45   6.370  -2.382   5.254
  309   2HG   GLU  45          2HG       GLU  45   7.328  -3.091   6.548
  310    H    GLY  46           H        GLY  46   8.800  -2.698   1.880
  311   1HA   GLY  46          1HA       GLY  46  10.353  -3.078   0.249
  312   2HA   GLY  46          2HA       GLY  46  10.509  -4.768   0.744
  313    HA   PRO  47           HA       PRO  47   7.208  -3.943  -2.657
  314   1HB   PRO  47          1HB       PRO  47   8.308  -3.177  -4.965
  315   2HB   PRO  47          2HB       PRO  47   8.183  -2.054  -3.599
  316   1HG   PRO  47          1HG       PRO  47  10.615  -3.711  -4.381
  317   2HG   PRO  47          2HG       PRO  47  10.545  -1.952  -4.046
  318   1HD   PRO  47          1HD       PRO  47  11.235  -3.825  -2.130
  319   2HD   PRO  47          2HD       PRO  47  10.392  -2.318  -1.727
  320    H    CYS  48           H        CYS  48   6.316  -5.386  -4.125
  321    HA   CYS  48           HA       CYS  48   7.936  -7.742  -4.937
  322   1HB   CYS  48          1HB       CYS  48   5.037  -6.950  -5.377
  323   2HB   CYS  48          2HB       CYS  48   5.794  -8.353  -6.097
  324    H    ASP  49           H        ASP  49   6.566  -4.774  -6.344
  325    HA   ASP  49           HA       ASP  49   7.468  -5.186  -8.955
  326   1HB   ASP  49          1HB       ASP  49   5.676  -3.616  -8.214
  327   2HB   ASP  49          2HB       ASP  49   6.896  -2.654  -7.389
  328    H    GLU  50           H        GLU  50   9.205  -3.653  -9.801
  329    HA   GLU  50           HA       GLU  50  11.339  -2.756  -8.027
  330   1HB   GLU  50          1HB       GLU  50  11.728  -5.271  -8.323
  331   2HB   GLU  50          2HB       GLU  50  12.052  -4.950 -10.023
  332   1HG   GLU  50          1HG       GLU  50  14.005  -3.525  -9.332
  333   2HG   GLU  50          2HG       GLU  50  13.601  -3.816  -7.641
  334    H    HIS  51           H        HIS  51   9.403  -2.251 -10.701
  335    HA   HIS  51           HA       HIS  51  11.428  -1.445 -12.614
  336   1HB   HIS  51          1HB       HIS  51   9.193  -2.461 -13.146
  337   2HB   HIS  51          2HB       HIS  51   8.417  -0.987 -12.568
  338    HD1  HIS  51           HD1      HIS  51   7.866   0.605 -14.534
  339    HD2  HIS  51           HD2      HIS  51  11.227  -1.837 -15.203
  340    HE1  HIS  51           HE1      HIS  51   8.708   1.136 -16.900
  341    H    ASP  52           H        ASP  52   9.774   0.223  -9.940
  342    HA   ASP  52           HA       ASP  52   9.904   2.776 -11.066
  343   1HB   ASP  52          1HB       ASP  52   9.182   3.530  -8.860
  344   2HB   ASP  52          2HB       ASP  52   8.205   2.192  -9.447
  345    H    HIS  53           H        HIS  53  11.511   4.305 -10.922
  346    HA   HIS  53           HA       HIS  53  13.239   4.476  -8.633
  347   1HB   HIS  53          1HB       HIS  53  14.377   3.440 -11.160
  348   2HB   HIS  53          2HB       HIS  53  15.191   4.891 -10.611
  349    HD1  HIS  53           HD1      HIS  53  13.939   1.871  -8.567
  350    HD2  HIS  53           HD2      HIS  53  17.314   4.280  -9.290
  351    HE1  HIS  53           HE1      HIS  53  15.810   1.038  -6.977
  352    H    ASP  54           H        ASP  54  11.233   6.011  -8.911
  353    HA   ASP  54           HA       ASP  54  11.874   8.412 -10.515
  354   1HB   ASP  54          1HB       ASP  54   9.512   7.346 -10.263
  355   2HB   ASP  54          2HB       ASP  54   9.499   8.087  -8.663
  356    H    PHE  55           H        PHE  55  11.399  10.487  -9.183
  357    HA   PHE  55           HA       PHE  55  13.403  10.671  -7.037
  358   1HB   PHE  55          2HB       PHE  55  11.593  12.747  -8.342
  359   2HB   PHE  55          1HB       PHE  55  12.848  13.101  -7.164
  360    HD1  PHE  55           HD1      PHE  55  15.258  12.794  -7.727
  361    HD2  PHE  55           HD2      PHE  55  12.167  12.240 -10.679
  362    HE1  PHE  55           HE1      PHE  55  16.958  12.944  -9.534
  363    HE2  PHE  55           HE2      PHE  55  13.863  12.392 -12.482
  364    HZ   PHE  55           HZ       PHE  55  16.263  12.746 -11.915
  Start of MODEL   13
    1   1H    PHE   1          1H        PHE   1 -15.329   6.147   3.661
    2   2H    PHE   1          2H        PHE   1 -15.369   5.425   5.139
    3   3H    PHE   1          3H        PHE   1 -14.630   6.896   4.954
    4    HA   PHE   1           HA       PHE   1 -12.922   5.155   5.074
    5   1HB   PHE   1          2HB       PHE   1 -13.516   3.825   2.590
    6   2HB   PHE   1          1HB       PHE   1 -13.143   3.248   4.193
    7    HD1  PHE   1           HD1      PHE   1 -14.827   2.432   5.731
    8    HD2  PHE   1           HD2      PHE   1 -15.943   4.195   1.948
    9    HE1  PHE   1           HE1      PHE   1 -17.186   1.773   6.112
   10    HE2  PHE   1           HE2      PHE   1 -18.302   3.536   2.346
   11    HZ   PHE   1           HZ       PHE   1 -18.931   2.342   4.433
   12    H    GLN   2           H        GLN   2 -11.697   6.980   4.804
   13    HA   GLN   2           HA       GLN   2 -10.091   6.882   2.692
   14   1HB   GLN   2          1HB       GLN   2 -12.291   8.676   1.966
   15   2HB   GLN   2          2HB       GLN   2 -10.823   9.608   2.089
   16   1HG   GLN   2          1HG       GLN   2  -9.930   8.770   0.225
   17   2HG   GLN   2          2HG       GLN   2 -10.327   7.110   0.627
   18   1HE2  GLN   2          1HE2      GLN   2 -11.750   6.123  -0.722
   19   2HE2  GLN   2          2HE2      GLN   2 -12.941   6.985  -1.716
   20    H    GLY   3           H        GLY   3 -11.340   9.725   4.209
   21   1HA   GLY   3          1HA       GLY   3  -8.789  10.617   5.292
   22   2HA   GLY   3          2HA       GLY   3 -10.350  11.438   5.458
   23    H    ASN   4           H        ASN   4  -9.060   8.302   6.444
   24    HA   ASN   4           HA       ASN   4  -8.892   8.854   9.225
   25   1HB   ASN   4          1HB       ASN   4 -11.482   7.762   8.375
   26   2HB   ASN   4          2HB       ASN   4 -10.607   6.588   9.362
   27   1HD2  ASN   4          1HD2      ASN   4 -10.895  10.223   9.470
   28   2HD2  ASN   4          2HD2      ASN   4 -11.325  10.224  11.184
   29    HA   PRO   5           HA       PRO   5  -7.166   4.525   7.924
   30   1HB   PRO   5          1HB       PRO   5  -7.440   4.006   5.199
   31   2HB   PRO   5          2HB       PRO   5  -8.364   3.230   6.522
   32   1HG   PRO   5          1HG       PRO   5  -9.084   5.417   4.636
   33   2HG   PRO   5          2HG       PRO   5 -10.103   4.092   5.256
   34   1HD   PRO   5          1HD       PRO   5 -10.287   6.596   6.330
   35   2HD   PRO   5          2HD       PRO   5 -10.417   5.150   7.355
   36    H    CYS   6           H        CYS   6  -7.300   7.151   5.385
   37    HA   CYS   6           HA       CYS   6  -4.321   7.124   5.332
   38   1HB   CYS   6          1HB       CYS   6  -6.444   8.181   3.466
   39   2HB   CYS   6          2HB       CYS   6  -4.814   8.828   3.450
   40    H    GLU   7           H        GLU   7  -3.786   8.200   7.217
   41    HA   GLU   7           HA       GLU   7  -3.919  11.086   6.738
   42   1HB   GLU   7          1HB       GLU   7  -5.548  10.600   8.586
   43   2HB   GLU   7          2HB       GLU   7  -4.209   9.996   9.569
   44   1HG   GLU   7          1HG       GLU   7  -3.094  12.204   9.423
   45   2HG   GLU   7          2HG       GLU   7  -4.336  12.781   8.310
   46    H    CYS   8           H        CYS   8  -1.931  10.547   5.628
   47    HA   CYS   8           HA       CYS   8   0.409   9.967   7.266
   48   1HB   CYS   8          1HB       CYS   8  -1.126   7.924   5.790
   49   2HB   CYS   8          2HB       CYS   8   0.531   8.018   5.223
   50    HA   PRO   9           HA       PRO   9   2.299  12.190   3.996
   51   1HB   PRO   9          1HB       PRO   9   4.862  11.282   3.862
   52   2HB   PRO   9          2HB       PRO   9   4.204  12.035   5.349
   53   1HG   PRO   9          1HG       PRO   9   4.437   9.074   4.715
   54   2HG   PRO   9          2HG       PRO   9   4.975   9.936   6.195
   55   1HD   PRO   9          1HD       PRO   9   2.572   8.637   5.993
   56   2HD   PRO   9          2HD       PRO   9   2.773  10.106   6.988
   57    H    ARG  10           H        ARG  10   3.159  12.210   1.835
   58    HA   ARG  10           HA       ARG  10   2.547   9.940   0.082
   59   1HB   ARG  10          1HB       ARG  10   3.742  12.709  -0.379
   60   2HB   ARG  10          2HB       ARG  10   3.545  11.511  -1.664
   61   1HG   ARG  10          1HG       ARG  10   1.129  11.458  -1.358
   62   2HG   ARG  10          2HG       ARG  10   1.240  12.585  -0.001
   63   1HD   ARG  10          1HD       ARG  10   0.536  13.748  -2.018
   64   2HD   ARG  10          2HD       ARG  10   2.091  14.354  -1.473
   65    HE   ARG  10           HE       ARG  10   1.511  12.664  -3.845
   66   1HH1  ARG  10          2HH2      ARG  10   3.950  14.517  -2.081
   67   2HH1  ARG  10          1HH2      ARG  10   5.080  14.583  -3.387
   68   1HH2  ARG  10          2HH1      ARG  10   3.002  12.742  -5.597
   69   2HH2  ARG  10          1HH1      ARG  10   4.517  13.544  -5.426
   70    H    ALA  11           H        ALA  11   4.328   9.052   1.994
   71    HA   ALA  11           HA       ALA  11   7.015   9.281   1.266
   72   1HB   ALA  11          1HB       ALA  11   5.519   7.207   2.922
   73   2HB   ALA  11          2HB       ALA  11   7.287   7.274   2.786
   74   3HB   ALA  11          3HB       ALA  11   6.411   8.624   3.522
   75    H    LEU  12           H        LEU  12   8.162   8.278  -0.334
   76    HA   LEU  12           HA       LEU  12   7.145   6.033  -1.904
   77   1HB   LEU  12          1HB       LEU  12   9.510   7.950  -1.823
   78   2HB   LEU  12          2HB       LEU  12   9.617   6.514  -2.794
   79    HG   LEU  12           HG       LEU  12   8.949   8.617  -3.915
   80   1HD1  LEU  12          1HD1      LEU  12   7.451   7.450  -5.510
   81   2HD1  LEU  12          2HD1      LEU  12   8.735   6.369  -4.955
   82   3HD1  LEU  12          3HD1      LEU  12   7.094   6.215  -4.286
   83   1HD2  LEU  12          1HD2      LEU  12   7.243   9.504  -2.428
   84   2HD2  LEU  12          2HD2      LEU  12   6.649   9.311  -4.081
   85   3HD2  LEU  12          3HD2      LEU  12   6.165   8.150  -2.838
   86    H    HIS  13           H        HIS  13   7.233   5.175   0.705
   87    HA   HIS  13           HA       HIS  13   9.839   3.774   1.142
   88   1HB   HIS  13          1HB       HIS  13   8.849   5.221   2.994
   89   2HB   HIS  13          2HB       HIS  13   7.552   4.036   3.134
   90    HD1  HIS  13           HD1      HIS  13   8.467   1.424   4.111
   91    HD2  HIS  13           HD2      HIS  13  11.210   4.687   4.020
   92    HE1  HIS  13           HE1      HIS  13  10.453   0.729   5.378
   93    H    ARG  14           H        ARG  14   8.949   2.745  -0.903
   94    HA   ARG  14           HA       ARG  14   6.434   1.672  -1.114
   95   1HB   ARG  14          1HB       ARG  14   8.989   0.861  -2.539
   96   2HB   ARG  14          2HB       ARG  14   7.383   0.245  -2.974
   97   1HG   ARG  14          1HG       ARG  14   6.559   2.403  -3.560
   98   2HG   ARG  14          2HG       ARG  14   8.007   3.215  -2.940
   99   1HD   ARG  14          1HD       ARG  14   7.958   3.010  -5.422
  100   2HD   ARG  14          2HD       ARG  14   9.386   2.265  -4.676
  101    HE   ARG  14           HE       ARG  14   7.793   0.140  -4.796
  102   1HH1  ARG  14          2HH2      ARG  14   8.327   2.549  -7.402
  103   2HH1  ARG  14          1HH2      ARG  14   8.173   1.363  -8.664
  104   1HH2  ARG  14          2HH1      ARG  14   8.011  -1.423  -6.639
  105   2HH2  ARG  14          1HH1      ARG  14   7.577  -0.820  -8.191
  106    H    VAL  15           H        VAL  15   5.361  -0.272  -0.959
  107    HA   VAL  15           HA       VAL  15   6.783  -2.576   0.209
  108    HB   VAL  15           HB       VAL  15   5.297  -2.888   1.990
  109   1HG1  VAL  15          1HG1      VAL  15   5.741  -1.053   3.395
  110   2HG1  VAL  15          2HG1      VAL  15   7.120  -1.206   2.273
  111   3HG1  VAL  15          3HG1      VAL  15   5.894   0.051   2.013
  112   1HG2  VAL  15          1HG2      VAL  15   3.718  -0.438   1.072
  113   2HG2  VAL  15          2HG2      VAL  15   3.141  -2.120   1.012
  114   3HG2  VAL  15          3HG2      VAL  15   3.477  -1.390   2.558
  115    H    CYS  16           H        CYS  16   5.285  -4.578   0.328
  116    HA   CYS  16           HA       CYS  16   3.413  -4.518  -1.996
  117   1HB   CYS  16          1HB       CYS  16   5.464  -5.758  -2.226
  118   2HB   CYS  16          2HB       CYS  16   5.109  -6.741  -0.841
  119    H    GLY  17           H        GLY  17   1.346  -5.133  -1.795
  120   1HA   GLY  17          1HA       GLY  17   0.506  -6.560   0.669
  121   2HA   GLY  17          2HA       GLY  17  -0.576  -5.768  -0.445
  122    H    SER  18           H        SER  18  -0.635  -8.435   0.349
  123    HA   SER  18           HA       SER  18   0.514 -10.366  -0.862
  124   1HB   SER  18          1HB       SER  18  -1.231 -11.890  -0.309
  125   2HB   SER  18          2HB       SER  18  -1.262 -10.608   0.864
  126    HG   SER  18           HG       SER  18  -3.087  -9.759  -0.019
  127    H    ASP  19           H        ASP  19  -1.842  -8.695  -2.826
  128    HA   ASP  19           HA       ASP  19  -2.021 -10.659  -4.929
  129   1HB   ASP  19          1HB       ASP  19  -3.728  -9.120  -4.948
  130   2HB   ASP  19          2HB       ASP  19  -2.714  -7.787  -4.489
  131    H    GLY  20           H        GLY  20   0.674  -8.772  -3.881
  132   1HA   GLY  20          1HA       GLY  20   2.774  -8.564  -5.057
  133   2HA   GLY  20          2HA       GLY  20   1.933  -8.742  -6.600
  134    H    ASN  21           H        ASN  21  -0.101  -7.012  -4.831
  135    HA   ASN  21           HA       ASN  21   0.031  -4.626  -6.229
  136   1HB   ASN  21          1HB       ASN  21  -1.777  -5.928  -4.554
  137   2HB   ASN  21          2HB       ASN  21  -1.387  -4.555  -3.594
  138   1HD2  ASN  21          1HD2      ASN  21  -2.341  -5.504  -6.912
  139   2HD2  ASN  21          2HD2      ASN  21  -3.351  -4.070  -7.197
  140    H    THR  22           H        THR  22   2.233  -3.793  -5.997
  141    HA   THR  22           HA       THR  22   3.221  -3.149  -3.467
  142    HB   THR  22           HB       THR  22   4.075  -2.097  -6.156
  143    HG1  THR  22           HG1      THR  22   4.133  -4.423  -5.595
  144   1HG2  THR  22          1HG2      THR  22   4.874  -0.645  -4.231
  145   2HG2  THR  22          2HG2      THR  22   5.581  -2.081  -3.490
  146   3HG2  THR  22          3HG2      THR  22   6.186  -1.505  -5.039
  147    H    TYR  23           H        TYR  23   3.168  -1.140  -2.340
  148    HA   TYR  23           HA       TYR  23   1.401   1.026  -3.331
  149   1HB   TYR  23          1HB       TYR  23   1.681  -0.165  -0.527
  150   2HB   TYR  23          2HB       TYR  23   0.950   1.389  -0.855
  151    HD1  TYR  23           HD1      TYR  23   0.569  -2.257  -1.230
  152    HD2  TYR  23           HD2      TYR  23  -1.277   1.584  -1.930
  153    HE1  TYR  23           HE1      TYR  23  -1.545  -3.381  -1.800
  154    HE2  TYR  23           HE2      TYR  23  -3.377   0.447  -2.597
  155    HH   TYR  23           HH       TYR  23  -3.511  -2.488  -3.646
  156    H    SER  24           H        SER  24   2.125   3.090  -2.676
  157    HA   SER  24           HA       SER  24   4.839   3.606  -2.718
  158   1HB   SER  24          1HB       SER  24   2.901   5.182  -3.180
  159   2HB   SER  24          2HB       SER  24   2.778   5.412  -1.424
  160    HG   SER  24           HG       SER  24   4.852   6.287  -1.407
  161    H    ASN  25           H        ASN  25   2.845   2.823   0.146
  162    HA   ASN  25           HA       ASN  25   5.123   2.498   1.810
  163   1HB   ASN  25          1HB       ASN  25   4.363   4.236   3.540
  164   2HB   ASN  25          2HB       ASN  25   5.116   4.886   2.104
  165   1HD2  ASN  25          1HD2      ASN  25   3.947   6.426   0.921
  166   2HD2  ASN  25          2HD2      ASN  25   2.286   6.859   1.354
  167    HA   PRO  26           HA       PRO  26   2.214  -0.271   3.565
  168   1HB   PRO  26          1HB       PRO  26   2.838  -0.512   6.185
  169   2HB   PRO  26          2HB       PRO  26   3.884  -1.102   4.860
  170   1HG   PRO  26          1HG       PRO  26   4.153   1.440   6.419
  171   2HG   PRO  26          2HG       PRO  26   5.413   0.258   5.931
  172   1HD   PRO  26          1HD       PRO  26   4.894   2.607   4.625
  173   2HD   PRO  26          2HD       PRO  26   5.547   1.190   3.797
  174    H    CYS  27           H        CYS  27   2.302   2.986   4.791
  175    HA   CYS  27           HA       CYS  27  -0.082   2.841   6.387
  176   1HB   CYS  27          1HB       CYS  27   1.797   4.672   6.344
  177   2HB   CYS  27          2HB       CYS  27   0.872   5.360   5.015
  178    H    MET  28           H        MET  28   0.573   3.872   2.985
  179    HA   MET  28           HA       MET  28  -2.150   4.316   2.287
  180   1HB   MET  28          1HB       MET  28   0.325   3.672   0.669
  181   2HB   MET  28          2HB       MET  28  -1.270   3.804  -0.093
  182   1HG   MET  28          1HG       MET  28  -1.590   6.047   0.737
  183   2HG   MET  28          2HG       MET  28  -0.125   5.965   1.706
  184   1HE   MET  28          1HE       MET  28  -1.572   5.989  -1.950
  185   2HE   MET  28          2HE       MET  28  -0.109   6.228  -2.933
  186   3HE   MET  28          3HE       MET  28  -0.373   4.681  -2.104
  187    H    LEU  29           H        LEU  29  -0.249   1.295   2.264
  188    HA   LEU  29           HA       LEU  29  -2.287  -0.408   1.165
  189   1HB   LEU  29          1HB       LEU  29  -0.197  -1.203   1.237
  190   2HB   LEU  29          2HB       LEU  29   0.085  -0.869   2.972
  191    HG   LEU  29           HG       LEU  29  -1.595  -2.938   1.884
  192   1HD1  LEU  29          1HD1      LEU  29   1.321  -3.074   2.579
  193   2HD1  LEU  29          2HD1      LEU  29   0.333  -4.514   2.258
  194   3HD1  LEU  29          3HD1      LEU  29   0.587  -3.323   0.988
  195   1HD2  LEU  29          1HD2      LEU  29  -2.186  -2.833   4.182
  196   2HD2  LEU  29          2HD2      LEU  29  -1.004  -4.123   4.124
  197   3HD2  LEU  29          3HD2      LEU  29  -0.492  -2.523   4.670
  198    H    THR  30           H        THR  30  -1.325  -0.137   4.585
  199    HA   THR  30           HA       THR  30  -3.641  -1.434   5.511
  200    HB   THR  30           HB       THR  30  -1.489  -0.588   6.769
  201    HG1  THR  30           HG1      THR  30  -2.506  -1.224   8.639
  202   1HG2  THR  30          1HG2      THR  30  -1.912   1.142   8.361
  203   2HG2  THR  30          2HG2      THR  30  -2.179   1.768   6.722
  204   3HG2  THR  30          3HG2      THR  30  -3.574   1.370   7.749
  205    H    CYS  31           H        CYS  31  -3.271   2.058   4.793
  206    HA   CYS  31           HA       CYS  31  -5.675   2.942   5.671
  207   1HB   CYS  31          1HB       CYS  31  -4.231   4.617   4.811
  208   2HB   CYS  31          2HB       CYS  31  -3.918   3.712   3.350
  209    H    ALA  32           H        ALA  32  -4.949   2.025   2.289
  210    HA   ALA  32           HA       ALA  32  -7.404   1.702   1.112
  211   1HB   ALA  32          1HB       ALA  32  -6.337   0.041  -0.289
  212   2HB   ALA  32          2HB       ALA  32  -5.257   1.441   0.016
  213   3HB   ALA  32          3HB       ALA  32  -4.993  -0.103   0.855
  214    H    LYS  33           H        LYS  33  -5.718  -0.634   3.080
  215    HA   LYS  33           HA       LYS  33  -7.426  -2.873   2.827
  216   1HB   LYS  33          1HB       LYS  33  -5.132  -2.861   3.847
  217   2HB   LYS  33          2HB       LYS  33  -5.834  -2.157   5.302
  218   1HG   LYS  33          1HG       LYS  33  -7.340  -4.042   5.567
  219   2HG   LYS  33          2HG       LYS  33  -6.741  -4.767   4.062
  220   1HD   LYS  33          1HD       LYS  33  -4.614  -5.182   4.883
  221   2HD   LYS  33          2HD       LYS  33  -4.814  -4.198   6.278
  222   1HE   LYS  33          1HE       LYS  33  -6.577  -6.588   5.602
  223   2HE   LYS  33          2HE       LYS  33  -5.122  -6.753   6.577
  224   1HZ   LYS  33          1HZ       LYS  33  -7.506  -5.136   7.263
  225   2HZ   LYS  33          2HZ       LYS  33  -7.133  -6.589   7.919
  226   3HZ   LYS  33          3HZ       LYS  33  -6.173  -5.277   8.224
  227    H    HIS  34           H        HIS  34  -7.347  -0.565   5.510
  228    HA   HIS  34           HA       HIS  34  -9.861  -1.362   6.666
  229   1HB   HIS  34          1HB       HIS  34  -8.085   1.094   6.834
  230   2HB   HIS  34          2HB       HIS  34  -9.540   0.905   7.776
  231    HD1  HIS  34           HD1      HIS  34  -5.946  -0.105   7.589
  232    HD2  HIS  34           HD2      HIS  34  -9.418  -1.373   9.589
  233    HE1  HIS  34           HE1      HIS  34  -5.161  -1.609   9.520
  234    H    GLU  35           H        GLU  35  -8.926   0.890   4.138
  235    HA   GLU  35           HA       GLU  35 -11.329   2.407   4.195
  236   1HB   GLU  35          1HB       GLU  35  -9.058   3.004   3.162
  237   2HB   GLU  35          2HB       GLU  35  -9.599   2.150   1.733
  238   1HG   GLU  35          1HG       GLU  35 -11.268   4.314   2.902
  239   2HG   GLU  35          2HG       GLU  35  -9.817   4.790   2.096
  240    H    GLY  36           H        GLY  36 -10.311  -0.089   1.829
  241   1HA   GLY  36          1HA       GLY  36 -13.021  -1.215   1.637
  242   2HA   GLY  36          2HA       GLY  36 -12.482  -0.291   0.231
  243    H    ASN  37           H        ASN  37 -10.040  -2.137   2.073
  244    HA   ASN  37           HA       ASN  37 -10.162  -4.347   0.062
  245   1HB   ASN  37          1HB       ASN  37  -8.278  -2.388  -0.313
  246   2HB   ASN  37          2HB       ASN  37  -7.462  -3.244   0.887
  247   1HD2  ASN  37          1HD2      ASN  37  -6.360  -3.025  -1.643
  248   2HD2  ASN  37          2HD2      ASN  37  -6.371  -4.638  -2.329
  249    HA   PRO  38           HA       PRO  38  -9.585  -5.152   4.712
  250   1HB   PRO  38          1HB       PRO  38 -11.599  -7.015   5.179
  251   2HB   PRO  38          2HB       PRO  38 -11.756  -5.242   5.365
  252   1HG   PRO  38          1HG       PRO  38 -12.543  -6.949   2.990
  253   2HG   PRO  38          2HG       PRO  38 -13.483  -5.642   3.780
  254   1HD   PRO  38          1HD       PRO  38 -12.073  -5.183   1.504
  255   2HD   PRO  38          2HD       PRO  38 -12.125  -3.958   2.814
  256    H    ASP  39           H        ASP  39 -10.049  -7.265   2.031
  257    HA   ASP  39           HA       ASP  39  -8.847  -9.692   2.605
  258   1HB   ASP  39          1HB       ASP  39  -9.121  -7.876   0.163
  259   2HB   ASP  39          2HB       ASP  39  -8.572  -9.533   0.059
  260    H    LEU  40           H        LEU  40  -7.369  -6.592   1.923
  261    HA   LEU  40           HA       LEU  40  -4.775  -7.586   0.934
  262   1HB   LEU  40          1HB       LEU  40  -5.248  -5.456   0.118
  263   2HB   LEU  40          2HB       LEU  40  -6.075  -4.978   1.586
  264    HG   LEU  40           HG       LEU  40  -4.142  -4.579   2.754
  265   1HD1  LEU  40          1HD1      LEU  40  -2.718  -5.980   0.858
  266   2HD1  LEU  40          2HD1      LEU  40  -2.279  -4.317   0.504
  267   3HD1  LEU  40          3HD1      LEU  40  -2.069  -4.977   2.170
  268   1HD2  LEU  40          1HD2      LEU  40  -5.253  -2.743   1.455
  269   2HD2  LEU  40          2HD2      LEU  40  -3.543  -2.436   1.649
  270   3HD2  LEU  40          3HD2      LEU  40  -4.158  -3.034   0.108
  271    H    VAL  41           H        VAL  41  -2.768  -7.315   2.157
  272    HA   VAL  41           HA       VAL  41  -2.880  -7.098   5.033
  273    HB   VAL  41           HB       VAL  41  -1.675  -9.262   5.260
  274   1HG1  VAL  41          1HG1      VAL  41  -4.150  -9.095   5.642
  275   2HG1  VAL  41          2HG1      VAL  41  -4.382  -9.749   3.995
  276   3HG1  VAL  41          3HG1      VAL  41  -3.551 -10.720   5.215
  277   1HG2  VAL  41          1HG2      VAL  41  -0.892  -9.571   2.936
  278   2HG2  VAL  41          2HG2      VAL  41  -1.787 -10.973   3.511
  279   3HG2  VAL  41          3HG2      VAL  41  -2.581  -9.836   2.413
  280    H    GLN  42           H        GLN  42  -0.692  -6.810   5.843
  281    HA   GLN  42           HA       GLN  42   1.304  -5.941   3.886
  282   1HB   GLN  42          1HB       GLN  42   0.901  -4.890   6.207
  283   2HB   GLN  42          2HB       GLN  42   1.631  -6.332   6.895
  284   1HG   GLN  42          1HG       GLN  42   3.384  -4.717   6.702
  285   2HG   GLN  42          2HG       GLN  42   3.675  -5.864   5.389
  286   1HE2  GLN  42          1HE2      GLN  42   4.203  -4.767   3.382
  287   2HE2  GLN  42          2HE2      GLN  42   3.535  -3.197   3.037
  288    H    VAL  43           H        VAL  43   1.523  -7.942   2.672
  289    HA   VAL  43           HA       VAL  43   2.247 -10.392   3.786
  290    HB   VAL  43           HB       VAL  43   3.636 -10.638   1.540
  291   1HG1  VAL  43          1HG1      VAL  43   1.648 -11.416   0.508
  292   2HG1  VAL  43          2HG1      VAL  43   1.546 -11.769   2.225
  293   3HG1  VAL  43          3HG1      VAL  43   0.644 -10.374   1.582
  294   1HG2  VAL  43          1HG2      VAL  43   1.748  -8.323   0.917
  295   2HG2  VAL  43          2HG2      VAL  43   3.521  -8.293   0.798
  296   3HG2  VAL  43          3HG2      VAL  43   2.577  -9.316  -0.290
  297    H    HIS  44           H        HIS  44   4.253  -7.601   2.760
  298    HA   HIS  44           HA       HIS  44   6.056  -8.020   4.935
  299   1HB   HIS  44          1HB       HIS  44   8.051  -8.338   3.538
  300   2HB   HIS  44          2HB       HIS  44   6.977  -9.690   3.419
  301    HD1  HIS  44           HD1      HIS  44   8.096  -6.639   1.312
  302    HD2  HIS  44           HD2      HIS  44   6.262 -10.431   1.007
  303    HE1  HIS  44           HE1      HIS  44   7.946  -7.189  -1.183
  304    H    GLU  45           H        GLU  45   7.509  -6.142   5.074
  305    HA   GLU  45           HA       GLU  45   6.635  -3.685   3.683
  306   1HB   GLU  45          1HB       GLU  45   7.720  -4.241   6.209
  307   2HB   GLU  45          2HB       GLU  45   9.110  -3.633   5.347
  308   1HG   GLU  45          1HG       GLU  45   6.388  -2.229   5.402
  309   2HG   GLU  45          2HG       GLU  45   7.575  -2.005   6.669
  310    H    GLY  46           H        GLY  46   8.881  -2.501   2.769
  311   1HA   GLY  46          1HA       GLY  46  10.015  -2.449   0.801
  312   2HA   GLY  46          2HA       GLY  46  10.580  -4.096   1.125
  313    HA   PRO  47           HA       PRO  47   7.073  -3.762  -2.042
  314   1HB   PRO  47          1HB       PRO  47   7.994  -2.973  -4.375
  315   2HB   PRO  47          2HB       PRO  47   7.963  -1.841  -3.003
  316   1HG   PRO  47          1HG       PRO  47  10.363  -3.473  -3.929
  317   2HG   PRO  47          2HG       PRO  47  10.274  -1.697  -3.684
  318   1HD   PRO  47          1HD       PRO  47  11.133  -3.410  -1.712
  319   2HD   PRO  47          2HD       PRO  47  10.210  -1.922  -1.347
  320    H    CYS  48           H        CYS  48   6.325  -5.054  -3.875
  321    HA   CYS  48           HA       CYS  48   7.864  -7.533  -4.385
  322   1HB   CYS  48          1HB       CYS  48   5.062  -6.621  -5.137
  323   2HB   CYS  48          2HB       CYS  48   5.828  -8.040  -5.834
  324    H    ASP  49           H        ASP  49   6.375  -4.796  -6.306
  325    HA   ASP  49           HA       ASP  49   7.954  -5.398  -8.537
  326   1HB   ASP  49          1HB       ASP  49   5.887  -4.358  -9.027
  327   2HB   ASP  49          2HB       ASP  49   6.161  -3.083  -7.824
  328    H    GLU  50           H        GLU  50   9.901  -4.516  -9.061
  329    HA   GLU  50           HA       GLU  50  10.762  -1.970  -8.101
  330   1HB   GLU  50          1HB       GLU  50  11.478  -3.709  -6.277
  331   2HB   GLU  50          2HB       GLU  50  12.692  -4.238  -7.437
  332   1HG   GLU  50          1HG       GLU  50  13.716  -2.010  -7.418
  333   2HG   GLU  50          2HG       GLU  50  12.347  -1.339  -6.525
  334    H    HIS  51           H        HIS  51   9.875  -3.149 -10.560
  335    HA   HIS  51           HA       HIS  51  12.361  -3.504 -12.158
  336   1HB   HIS  51          1HB       HIS  51  11.429  -5.662 -11.583
  337   2HB   HIS  51          2HB       HIS  51   9.820  -5.160 -12.096
  338    HD1  HIS  51           HD1      HIS  51   9.936  -4.290 -14.842
  339    HD2  HIS  51           HD2      HIS  51  12.542  -7.236 -13.378
  340    HE1  HIS  51           HE1      HIS  51  10.748  -5.673 -16.908
  341    H    ASP  52           H        ASP  52  12.307  -1.366 -12.949
  342    HA   ASP  52           HA       ASP  52  10.961  -1.032 -15.350
  343   1HB   ASP  52          1HB       ASP  52   9.686   0.950 -14.941
  344   2HB   ASP  52          2HB       ASP  52   9.052  -0.260 -13.848
  345    H    HIS  53           H        HIS  53  11.609   1.280 -16.151
  346    HA   HIS  53           HA       HIS  53  13.929   2.493 -14.980
  347   1HB   HIS  53          1HB       HIS  53  15.006   0.494 -15.959
  348   2HB   HIS  53          2HB       HIS  53  14.230   0.809 -17.511
  349    HD1  HIS  53           HD1      HIS  53  16.184   3.360 -15.298
  350    HD2  HIS  53           HD2      HIS  53  16.194   1.496 -19.076
  351    HE1  HIS  53           HE1      HIS  53  18.096   4.410 -16.627
  352    H    ASP  54           H        ASP  54  12.951   4.516 -15.201
  353    HA   ASP  54           HA       ASP  54  11.454   5.128 -17.628
  354   1HB   ASP  54          1HB       ASP  54  10.523   6.885 -16.257
  355   2HB   ASP  54          2HB       ASP  54  10.435   5.356 -15.403
  356    H    PHE  55           H        PHE  55  11.708   7.455 -18.410
  357    HA   PHE  55           HA       PHE  55  14.582   7.989 -18.867
  358   1HB   PHE  55          2HB       PHE  55  13.868   9.105 -20.922
  359   2HB   PHE  55          1HB       PHE  55  13.463   7.400 -20.901
  360    HD1  PHE  55           HD1      PHE  55  11.990  10.817 -20.377
  361    HD2  PHE  55           HD2      PHE  55  11.225   6.681 -21.322
  362    HE1  PHE  55           HE1      PHE  55   9.652  11.385 -20.967
  363    HE2  PHE  55           HE2      PHE  55   8.884   7.253 -21.916
  364    HZ   PHE  55           HZ       PHE  55   8.091   9.606 -21.739
  Start of MODEL   14
    1   1H    PHE   1          1H        PHE   1 -15.683   5.287   5.333
    2   2H    PHE   1          2H        PHE   1 -15.201   6.858   5.116
    3   3H    PHE   1          3H        PHE   1 -15.792   5.985   3.851
    4    HA   PHE   1           HA       PHE   1 -13.228   5.450   5.217
    5   1HB   PHE   1          2HB       PHE   1 -13.649   3.972   2.811
    6   2HB   PHE   1          1HB       PHE   1 -13.081   3.533   4.408
    7    HD1  PHE   1           HD1      PHE   1 -16.051   3.688   2.227
    8    HD2  PHE   1           HD2      PHE   1 -14.553   2.613   6.134
    9    HE1  PHE   1           HE1      PHE   1 -18.186   2.536   2.738
   10    HE2  PHE   1           HE2      PHE   1 -16.686   1.465   6.632
   11    HZ   PHE   1           HZ       PHE   1 -18.510   1.423   4.940
   12    H    GLN   2           H        GLN   2 -12.438   7.473   4.943
   13    HA   GLN   2           HA       GLN   2 -11.024   7.838   2.588
   14   1HB   GLN   2          1HB       GLN   2 -11.845  10.093   1.988
   15   2HB   GLN   2          2HB       GLN   2 -12.918   8.769   1.538
   16   1HG   GLN   2          1HG       GLN   2 -14.327   9.268   3.562
   17   2HG   GLN   2          2HG       GLN   2 -13.283  10.671   3.889
   18   1HE2  GLN   2          1HE2      GLN   2 -14.019  12.641   3.009
   19   2HE2  GLN   2          2HE2      GLN   2 -15.131  12.697   1.648
   20    H    GLY   3           H        GLY   3  -9.197   8.796   3.354
   21   1HA   GLY   3          1HA       GLY   3  -7.834  10.324   4.401
   22   2HA   GLY   3          2HA       GLY   3  -9.274  11.145   4.991
   23    H    ASN   4           H        ASN   4 -10.304   9.086   6.711
   24    HA   ASN   4           HA       ASN   4  -8.563   9.301   9.044
   25   1HB   ASN   4          1HB       ASN   4 -11.150   7.818   8.485
   26   2HB   ASN   4          2HB       ASN   4 -10.164   7.370   9.876
   27   1HD2  ASN   4          1HD2      ASN   4 -10.593  10.719   8.564
   28   2HD2  ASN   4          2HD2      ASN   4 -11.361  11.296  10.042
   29    HA   PRO   5           HA       PRO   5  -7.153   4.802   7.777
   30   1HB   PRO   5          1HB       PRO   5  -7.431   4.506   4.974
   31   2HB   PRO   5          2HB       PRO   5  -8.236   3.572   6.254
   32   1HG   PRO   5          1HG       PRO   5  -9.184   5.835   4.661
   33   2HG   PRO   5          2HG       PRO   5 -10.084   4.445   5.375
   34   1HD   PRO   5          1HD       PRO   5 -10.235   6.957   6.413
   35   2HD   PRO   5          2HD       PRO   5 -10.249   5.516   7.460
   36    H    CYS   6           H        CYS   6  -6.980   7.555   5.432
   37    HA   CYS   6           HA       CYS   6  -4.033   7.178   5.232
   38   1HB   CYS   6          1HB       CYS   6  -6.117   8.258   3.358
   39   2HB   CYS   6          2HB       CYS   6  -4.479   8.868   3.253
   40    H    GLU   7           H        GLU   7  -4.235   8.213   7.555
   41    HA   GLU   7           HA       GLU   7  -4.202  11.128   7.537
   42   1HB   GLU   7          1HB       GLU   7  -4.866   9.586   9.414
   43   2HB   GLU   7          2HB       GLU   7  -3.183   9.160   9.638
   44   1HG   GLU   7          1HG       GLU   7  -4.000  12.089   9.671
   45   2HG   GLU   7          2HG       GLU   7  -4.503  11.081  11.015
   46    H    CYS   8           H        CYS   8  -2.173   9.072   6.095
   47    HA   CYS   8           HA       CYS   8   0.354   9.746   7.364
   48   1HB   CYS   8          1HB       CYS   8  -0.823   7.625   5.635
   49   2HB   CYS   8          2HB       CYS   8   0.892   7.881   5.405
   50    HA   PRO   9           HA       PRO   9   2.153  12.290   4.325
   51   1HB   PRO   9          1HB       PRO   9   4.808  11.711   4.362
   52   2HB   PRO   9          2HB       PRO   9   3.968  12.301   5.831
   53   1HG   PRO   9          1HG       PRO   9   4.624   9.432   5.084
   54   2HG   PRO   9          2HG       PRO   9   4.918  10.263   6.643
   55   1HD   PRO   9          1HD       PRO   9   2.726   8.682   6.108
   56   2HD   PRO   9          2HD       PRO   9   2.658  10.027   7.262
   57    H    ARG  10           H        ARG  10   3.272  12.443   2.243
   58    HA   ARG  10           HA       ARG  10   2.761  10.147   0.474
   59   1HB   ARG  10          1HB       ARG  10   4.028  12.835  -0.219
   60   2HB   ARG  10          2HB       ARG  10   3.273  11.688  -1.327
   61   1HG   ARG  10          1HG       ARG  10   1.045  12.147  -0.216
   62   2HG   ARG  10          2HG       ARG  10   1.850  13.329   0.827
   63   1HD   ARG  10          1HD       ARG  10   0.908  14.632  -0.845
   64   2HD   ARG  10          2HD       ARG  10   2.628  14.534  -1.267
   65    HE   ARG  10           HE       ARG  10   1.134  12.453  -2.559
   66   1HH1  ARG  10          2HH2      ARG  10   1.802  15.910  -2.784
   67   2HH1  ARG  10          1HH2      ARG  10   1.218  16.098  -4.400
   68   1HH2  ARG  10          2HH1      ARG  10   0.298  12.672  -4.717
   69   2HH2  ARG  10          1HH1      ARG  10   0.358  14.193  -5.523
   70    H    ALA  11           H        ALA  11   4.637   9.461   2.382
   71    HA   ALA  11           HA       ALA  11   7.274   9.607   1.464
   72   1HB   ALA  11          1HB       ALA  11   7.667   7.844   3.182
   73   2HB   ALA  11          2HB       ALA  11   6.750   9.209   3.840
   74   3HB   ALA  11          3HB       ALA  11   5.912   7.697   3.412
   75    H    LEU  12           H        LEU  12   8.160   8.496  -0.222
   76    HA   LEU  12           HA       LEU  12   6.721   6.382  -1.578
   77   1HB   LEU  12          1HB       LEU  12   9.343   7.931  -1.814
   78   2HB   LEU  12          2HB       LEU  12   9.063   6.557  -2.841
   79    HG   LEU  12           HG       LEU  12   8.592   8.704  -3.872
   80   1HD1  LEU  12          1HD1      LEU  12   7.617   6.586  -4.749
   81   2HD1  LEU  12          2HD1      LEU  12   6.162   6.850  -3.756
   82   3HD1  LEU  12          3HD1      LEU  12   6.571   7.978  -5.066
   83   1HD2  LEU  12          1HD2      LEU  12   6.571   9.948  -3.514
   84   2HD2  LEU  12          2HD2      LEU  12   6.088   8.868  -2.194
   85   3HD2  LEU  12          3HD2      LEU  12   7.524   9.906  -2.028
   86    H    HIS  13           H        HIS  13   7.102   5.458   0.989
   87    HA   HIS  13           HA       HIS  13   9.620   3.886   1.118
   88   1HB   HIS  13          1HB       HIS  13   8.579   5.193   3.095
   89   2HB   HIS  13          2HB       HIS  13   7.451   3.853   3.242
   90    HD1  HIS  13           HD1      HIS  13   9.158   1.207   3.368
   91    HD2  HIS  13           HD2      HIS  13  10.693   5.035   4.456
   92    HE1  HIS  13           HE1      HIS  13  11.207   0.824   4.699
   93    H    ARG  14           H        ARG  14   8.644   2.995  -0.931
   94    HA   ARG  14           HA       ARG  14   6.259   1.744  -1.249
   95   1HB   ARG  14          1HB       ARG  14   8.943   1.171  -2.548
   96   2HB   ARG  14          2HB       ARG  14   7.439   0.468  -3.131
   97   1HG   ARG  14          1HG       ARG  14   7.356   3.435  -2.758
   98   2HG   ARG  14          2HG       ARG  14   8.455   2.859  -4.013
   99   1HD   ARG  14          1HD       ARG  14   5.546   1.977  -3.808
  100   2HD   ARG  14          2HD       ARG  14   6.069   3.357  -4.772
  101    HE   ARG  14           HE       ARG  14   6.601   0.485  -5.235
  102   1HH1  ARG  14          2HH2      ARG  14   7.130   3.807  -6.365
  103   2HH1  ARG  14          1HH2      ARG  14   7.857   3.338  -7.869
  104   1HH2  ARG  14          2HH1      ARG  14   7.480  -0.143  -7.311
  105   2HH2  ARG  14          1HH1      ARG  14   8.019   1.050  -8.423
  106    H    VAL  15           H        VAL  15   5.276  -0.259  -1.037
  107    HA   VAL  15           HA       VAL  15   6.848  -2.478   0.166
  108    HB   VAL  15           HB       VAL  15   5.169  -2.895   1.814
  109   1HG1  VAL  15          1HG1      VAL  15   5.601  -1.109   3.318
  110   2HG1  VAL  15          2HG1      VAL  15   7.017  -1.263   2.267
  111   3HG1  VAL  15          3HG1      VAL  15   5.846   0.030   1.981
  112   1HG2  VAL  15          1HG2      VAL  15   3.329  -1.418   2.303
  113   2HG2  VAL  15          2HG2      VAL  15   3.703  -0.387   0.894
  114   3HG2  VAL  15          3HG2      VAL  15   3.126  -2.063   0.694
  115    H    CYS  16           H        CYS  16   5.836  -4.589  -0.054
  116    HA   CYS  16           HA       CYS  16   3.949  -4.715  -2.347
  117   1HB   CYS  16          1HB       CYS  16   5.964  -5.913  -2.421
  118   2HB   CYS  16          2HB       CYS  16   5.660  -6.741  -0.931
  119    H    GLY  17           H        GLY  17   1.840  -5.442  -2.197
  120   1HA   GLY  17          1HA       GLY  17   0.837  -6.438   0.399
  121   2HA   GLY  17          2HA       GLY  17  -0.129  -5.969  -1.009
  122    H    SER  18           H        SER  18  -0.375  -8.398   0.292
  123    HA   SER  18           HA       SER  18   0.769 -10.611  -0.563
  124   1HB   SER  18          1HB       SER  18  -1.274 -11.759   0.085
  125   2HB   SER  18          2HB       SER  18  -1.054 -10.340   1.066
  126    HG   SER  18           HG       SER  18  -2.939 -10.670  -0.954
  127    H    ASP  19           H        ASP  19  -0.977  -8.784  -2.970
  128    HA   ASP  19           HA       ASP  19  -1.179 -11.204  -4.702
  129   1HB   ASP  19          1HB       ASP  19  -2.941  -9.431  -4.694
  130   2HB   ASP  19          2HB       ASP  19  -1.747  -8.298  -5.333
  131    H    GLY  20           H        GLY  20   1.331  -9.035  -3.781
  132   1HA   GLY  20          1HA       GLY  20   3.474  -8.863  -4.925
  133   2HA   GLY  20          2HA       GLY  20   2.685  -9.209  -6.453
  134    H    ASN  21           H        ASN  21   0.433  -7.442  -5.049
  135    HA   ASN  21           HA       ASN  21   0.752  -5.178  -6.628
  136   1HB   ASN  21          1HB       ASN  21  -1.311  -4.459  -5.578
  137   2HB   ASN  21          2HB       ASN  21  -1.403  -6.088  -6.219
  138   1HD2  ASN  21          1HD2      ASN  21  -3.209  -4.877  -4.343
  139   2HD2  ASN  21          2HD2      ASN  21  -3.140  -5.914  -2.911
  140    H    THR  22           H        THR  22   2.593  -4.019  -6.142
  141    HA   THR  22           HA       THR  22   3.361  -3.306  -3.559
  142    HB   THR  22           HB       THR  22   4.207  -2.199  -6.216
  143    HG1  THR  22           HG1      THR  22   4.555  -4.448  -5.688
  144   1HG2  THR  22          1HG2      THR  22   5.593  -1.907  -3.502
  145   2HG2  THR  22          2HG2      THR  22   6.190  -1.341  -5.038
  146   3HG2  THR  22          3HG2      THR  22   4.753  -0.587  -4.346
  147    H    TYR  23           H        TYR  23   3.121  -1.338  -2.411
  148    HA   TYR  23           HA       TYR  23   1.206   0.740  -3.336
  149   1HB   TYR  23          1HB       TYR  23   1.509  -0.608  -0.614
  150   2HB   TYR  23          2HB       TYR  23   0.859   1.005  -0.758
  151    HD1  TYR  23           HD1      TYR  23   0.269  -2.518  -1.864
  152    HD2  TYR  23           HD2      TYR  23  -1.442   1.396  -1.227
  153    HE1  TYR  23           HE1      TYR  23  -1.962  -3.441  -2.263
  154    HE2  TYR  23           HE2      TYR  23  -3.700   0.477  -1.621
  155    HH   TYR  23           HH       TYR  23  -4.199  -2.901  -2.658
  156    H    SER  24           H        SER  24   1.748   2.869  -2.555
  157    HA   SER  24           HA       SER  24   4.368   3.605  -2.768
  158   1HB   SER  24          1HB       SER  24   2.262   5.213  -1.310
  159   2HB   SER  24          2HB       SER  24   3.582   5.804  -2.330
  160    HG   SER  24           HG       SER  24   1.659   5.822  -3.506
  161    H    ASN  25           H        ASN  25   2.660   2.779   0.242
  162    HA   ASN  25           HA       ASN  25   5.012   2.452   1.722
  163   1HB   ASN  25          1HB       ASN  25   4.366   4.114   3.601
  164   2HB   ASN  25          2HB       ASN  25   5.105   4.814   2.190
  165   1HD2  ASN  25          1HD2      ASN  25   4.059   6.601   1.385
  166   2HD2  ASN  25          2HD2      ASN  25   2.454   7.096   1.935
  167    HA   PRO  26           HA       PRO  26   2.103  -0.256   3.526
  168   1HB   PRO  26          1HB       PRO  26   2.828  -0.617   6.143
  169   2HB   PRO  26          2HB       PRO  26   3.794  -1.206   4.757
  170   1HG   PRO  26          1HG       PRO  26   4.263   1.229   6.435
  171   2HG   PRO  26          2HG       PRO  26   5.451   0.062   5.766
  172   1HD   PRO  26          1HD       PRO  26   4.835   2.519   4.701
  173   2HD   PRO  26          2HD       PRO  26   5.513   1.194   3.745
  174    H    CYS  27           H        CYS  27   2.274   2.935   4.820
  175    HA   CYS  27           HA       CYS  27  -0.127   2.765   6.395
  176   1HB   CYS  27          1HB       CYS  27   1.774   4.604   6.381
  177   2HB   CYS  27          2HB       CYS  27   0.822   5.302   5.072
  178    H    MET  28           H        MET  28   0.585   3.833   3.006
  179    HA   MET  28           HA       MET  28  -2.088   4.343   2.220
  180   1HB   MET  28          1HB       MET  28   0.249   3.315   0.573
  181   2HB   MET  28          2HB       MET  28  -1.278   3.817  -0.101
  182   1HG   MET  28          1HG       MET  28   0.155   5.730   1.740
  183   2HG   MET  28          2HG       MET  28   0.833   5.450   0.152
  184   1HE   MET  28          1HE       MET  28  -2.301   5.256  -1.557
  185   2HE   MET  28          2HE       MET  28  -1.737   6.773  -2.303
  186   3HE   MET  28          3HE       MET  28  -0.574   5.465  -1.952
  187    H    LEU  29           H        LEU  29  -0.270   1.274   2.238
  188    HA   LEU  29           HA       LEU  29  -2.306  -0.449   1.213
  189   1HB   LEU  29          1HB       LEU  29  -0.154  -1.178   1.381
  190   2HB   LEU  29          2HB       LEU  29  -0.019  -0.853   3.133
  191    HG   LEU  29           HG       LEU  29  -1.391  -3.014   1.781
  192   1HD1  LEU  29          1HD1      LEU  29   0.478  -4.434   2.657
  193   2HD1  LEU  29          2HD1      LEU  29   1.041  -3.162   1.573
  194   3HD1  LEU  29          3HD1      LEU  29   1.202  -2.959   3.328
  195   1HD2  LEU  29          1HD2      LEU  29  -0.952  -2.599   4.781
  196   2HD2  LEU  29          2HD2      LEU  29  -2.518  -2.854   3.954
  197   3HD2  LEU  29          3HD2      LEU  29  -1.362  -4.169   4.091
  198    H    THR  30           H        THR  30  -1.412  -0.105   4.673
  199    HA   THR  30           HA       THR  30  -3.762  -1.376   5.512
  200    HB   THR  30           HB       THR  30  -1.647  -0.630   6.839
  201    HG1  THR  30           HG1      THR  30  -4.175  -0.764   8.102
  202   1HG2  THR  30          1HG2      THR  30  -1.986   1.114   8.433
  203   2HG2  THR  30          2HG2      THR  30  -2.181   1.767   6.793
  204   3HG2  THR  30          3HG2      THR  30  -3.615   1.463   7.795
  205    H    CYS  31           H        CYS  31  -3.331   2.059   4.800
  206    HA   CYS  31           HA       CYS  31  -5.652   3.115   5.759
  207   1HB   CYS  31          1HB       CYS  31  -4.125   4.679   4.826
  208   2HB   CYS  31          2HB       CYS  31  -3.863   3.704   3.402
  209    H    ALA  32           H        ALA  32  -5.043   2.107   2.389
  210    HA   ALA  32           HA       ALA  32  -7.575   1.839   1.329
  211   1HB   ALA  32          1HB       ALA  32  -6.567   0.210  -0.153
  212   2HB   ALA  32          2HB       ALA  32  -5.507   1.636   0.110
  213   3HB   ALA  32          3HB       ALA  32  -5.152   0.087   0.922
  214    H    LYS  33           H        LYS  33  -5.769  -0.571   3.135
  215    HA   LYS  33           HA       LYS  33  -7.529  -2.760   2.976
  216   1HB   LYS  33          1HB       LYS  33  -5.193  -2.765   3.984
  217   2HB   LYS  33          2HB       LYS  33  -5.925  -2.165   5.475
  218   1HG   LYS  33          1HG       LYS  33  -7.426  -4.078   5.579
  219   2HG   LYS  33          2HG       LYS  33  -6.808  -4.672   4.023
  220   1HD   LYS  33          1HD       LYS  33  -4.721  -5.193   4.816
  221   2HD   LYS  33          2HD       LYS  33  -4.882  -4.291   6.238
  222   1HE   LYS  33          1HE       LYS  33  -6.709  -6.610   5.550
  223   2HE   LYS  33          2HE       LYS  33  -5.194  -6.847   6.420
  224   1HZ   LYS  33          1HZ       LYS  33  -7.502  -5.253   7.344
  225   2HZ   LYS  33          2HZ       LYS  33  -7.074  -6.732   7.914
  226   3HZ   LYS  33          3HZ       LYS  33  -6.091  -5.437   8.190
  227    H    HIS  34           H        HIS  34  -7.406  -0.398   5.668
  228    HA   HIS  34           HA       HIS  34 -10.049  -1.173   6.636
  229   1HB   HIS  34          1HB       HIS  34  -7.959   0.876   7.334
  230   2HB   HIS  34          2HB       HIS  34  -9.613   1.286   7.709
  231    HD1  HIS  34           HD1      HIS  34  -9.179  -2.390   8.174
  232    HD2  HIS  34           HD2      HIS  34  -8.595   1.173  10.338
  233    HE1  HIS  34           HE1      HIS  34  -9.004  -3.043  10.649
  234    H    GLU  35           H        GLU  35  -8.973   1.029   4.099
  235    HA   GLU  35           HA       GLU  35 -11.378   2.589   4.324
  236   1HB   GLU  35          1HB       GLU  35  -9.037   3.197   3.240
  237   2HB   GLU  35          2HB       GLU  35  -9.847   2.602   1.791
  238   1HG   GLU  35          1HG       GLU  35 -11.525   4.313   1.998
  239   2HG   GLU  35          2HG       GLU  35 -10.882   4.876   3.496
  240    H    GLY  36           H        GLY  36 -10.444  -0.226   2.395
  241   1HA   GLY  36          1HA       GLY  36 -13.137  -1.114   1.959
  242   2HA   GLY  36          2HA       GLY  36 -12.594  -0.194   0.556
  243    H    ASN  37           H        ASN  37 -10.161  -2.149   2.328
  244    HA   ASN  37           HA       ASN  37 -10.331  -4.179   0.138
  245   1HB   ASN  37          1HB       ASN  37  -8.459  -2.255  -0.103
  246   2HB   ASN  37          2HB       ASN  37  -7.628  -3.184   1.052
  247   1HD2  ASN  37          1HD2      ASN  37  -6.640  -2.825  -1.555
  248   2HD2  ASN  37          2HD2      ASN  37  -6.651  -4.447  -2.253
  249    HA   PRO  38           HA       PRO  38  -9.976  -5.750   4.540
  250   1HB   PRO  38          1HB       PRO  38 -11.942  -7.694   4.509
  251   2HB   PRO  38          2HB       PRO  38 -12.245  -5.966   4.874
  252   1HG   PRO  38          1HG       PRO  38 -12.559  -7.387   2.207
  253   2HG   PRO  38          2HG       PRO  38 -13.741  -6.317   3.034
  254   1HD   PRO  38          1HD       PRO  38 -12.122  -5.356   1.085
  255   2HD   PRO  38          2HD       PRO  38 -12.453  -4.377   2.549
  256    H    ASP  39           H        ASP  39  -9.853  -7.189   1.415
  257    HA   ASP  39           HA       ASP  39  -8.740  -9.775   2.063
  258   1HB   ASP  39          1HB       ASP  39  -9.933  -8.427  -0.122
  259   2HB   ASP  39          2HB       ASP  39  -8.279  -8.633  -0.628
  260    H    LEU  40           H        LEU  40  -7.418  -6.539   1.785
  261    HA   LEU  40           HA       LEU  40  -4.774  -7.335   0.723
  262   1HB   LEU  40          1HB       LEU  40  -5.413  -5.139   0.074
  263   2HB   LEU  40          2HB       LEU  40  -6.197  -4.821   1.621
  264    HG   LEU  40           HG       LEU  40  -4.208  -4.520   2.742
  265   1HD1  LEU  40          1HD1      LEU  40  -2.399  -4.219   0.448
  266   2HD1  LEU  40          2HD1      LEU  40  -2.151  -4.967   2.070
  267   3HD1  LEU  40          3HD1      LEU  40  -2.882  -5.880   0.740
  268   1HD2  LEU  40          1HD2      LEU  40  -3.453  -2.398   1.725
  269   2HD2  LEU  40          2HD2      LEU  40  -4.262  -2.831   0.215
  270   3HD2  LEU  40          3HD2      LEU  40  -5.212  -2.557   1.665
  271    H    VAL  41           H        VAL  41  -2.914  -7.395   2.065
  272    HA   VAL  41           HA       VAL  41  -3.327  -7.148   4.948
  273    HB   VAL  41           HB       VAL  41  -2.296  -9.364   5.299
  274   1HG1  VAL  41          1HG1      VAL  41  -4.849  -9.685   3.711
  275   2HG1  VAL  41          2HG1      VAL  41  -4.217 -10.732   4.984
  276   3HG1  VAL  41          3HG1      VAL  41  -4.772  -9.091   5.398
  277   1HG2  VAL  41          1HG2      VAL  41  -1.230  -9.722   3.116
  278   2HG2  VAL  41          2HG2      VAL  41  -2.286 -11.067   3.544
  279   3HG2  VAL  41          3HG2      VAL  41  -2.846  -9.878   2.357
  280    H    GLN  42           H        GLN  42  -1.369  -6.916   6.085
  281    HA   GLN  42           HA       GLN  42   0.968  -6.025   4.596
  282   1HB   GLN  42          1HB       GLN  42   0.086  -5.092   6.856
  283   2HB   GLN  42          2HB       GLN  42   0.744  -6.542   7.588
  284   1HG   GLN  42          1HG       GLN  42   2.469  -4.974   7.818
  285   2HG   GLN  42          2HG       GLN  42   2.987  -5.897   6.402
  286   1HE2  GLN  42          1HE2      GLN  42   3.704  -4.526   4.650
  287   2HE2  GLN  42          2HE2      GLN  42   3.095  -2.892   4.496
  288    H    VAL  43           H        VAL  43   1.279  -8.002   3.368
  289    HA   VAL  43           HA       VAL  43   2.076 -10.474   4.368
  290    HB   VAL  43           HB       VAL  43   3.754 -10.283   2.295
  291   1HG1  VAL  43          1HG1      VAL  43   2.049 -11.050   0.893
  292   2HG1  VAL  43          2HG1      VAL  43   1.704 -11.678   2.494
  293   3HG1  VAL  43          3HG1      VAL  43   0.766 -10.279   1.908
  294   1HG2  VAL  43          1HG2      VAL  43   2.902  -8.791   0.552
  295   2HG2  VAL  43          2HG2      VAL  43   1.611  -8.182   1.605
  296   3HG2  VAL  43          3HG2      VAL  43   3.296  -7.789   1.949
  297    H    HIS  44           H        HIS  44   3.975  -7.554   3.662
  298    HA   HIS  44           HA       HIS  44   5.577  -7.611   5.942
  299   1HB   HIS  44          1HB       HIS  44   7.727  -8.037   5.054
  300   2HB   HIS  44          2HB       HIS  44   6.769  -9.437   4.734
  301    HD1  HIS  44           HD1      HIS  44   6.153  -6.953   1.934
  302    HD2  HIS  44           HD2      HIS  44   9.246  -9.516   3.187
  303    HE1  HIS  44           HE1      HIS  44   7.509  -7.494  -0.106
  304    H    GLU  45           H        GLU  45   7.550  -5.898   5.070
  305    HA   GLU  45           HA       GLU  45   6.200  -3.480   4.153
  306   1HB   GLU  45          1HB       GLU  45   7.964  -3.880   6.074
  307   2HB   GLU  45          2HB       GLU  45   9.164  -3.880   4.805
  308   1HG   GLU  45          1HG       GLU  45   7.194  -1.591   4.853
  309   2HG   GLU  45          2HG       GLU  45   8.233  -1.726   6.243
  310    H    GLY  46           H        GLY  46   8.898  -2.814   2.653
  311   1HA   GLY  46          1HA       GLY  46  10.108  -3.187   0.813
  312   2HA   GLY  46          2HA       GLY  46   9.900  -4.881   1.187
  313    HA   PRO  47           HA       PRO  47   7.145  -3.548  -2.530
  314   1HB   PRO  47          1HB       PRO  47   8.548  -2.563  -4.606
  315   2HB   PRO  47          2HB       PRO  47   8.037  -1.560  -3.210
  316   1HG   PRO  47          1HG       PRO  47  10.761  -2.788  -3.706
  317   2HG   PRO  47          2HG       PRO  47  10.379  -1.112  -3.194
  318   1HD   PRO  47          1HD       PRO  47  11.038  -3.187  -1.460
  319   2HD   PRO  47          2HD       PRO  47  10.059  -1.779  -0.981
  320    H    CYS  48           H        CYS  48   6.568  -5.053  -4.066
  321    HA   CYS  48           HA       CYS  48   8.452  -7.296  -4.589
  322   1HB   CYS  48          1HB       CYS  48   5.514  -6.799  -5.192
  323   2HB   CYS  48          2HB       CYS  48   6.390  -8.109  -5.917
  324    H    ASP  49           H        ASP  49   6.969  -4.493  -6.174
  325    HA   ASP  49           HA       ASP  49   7.579  -5.356  -8.755
  326   1HB   ASP  49          1HB       ASP  49   6.332  -3.609  -9.478
  327   2HB   ASP  49          2HB       ASP  49   5.617  -3.994  -7.923
  328    H    GLU  50           H        GLU  50   9.025  -4.419 -10.315
  329    HA   GLU  50           HA       GLU  50  11.209  -2.670  -9.455
  330   1HB   GLU  50          1HB       GLU  50  11.942  -4.896  -8.644
  331   2HB   GLU  50          2HB       GLU  50  11.623  -5.595 -10.231
  332   1HG   GLU  50          1HG       GLU  50  13.371  -3.713 -11.047
  333   2HG   GLU  50          2HG       GLU  50  13.847  -3.739  -9.354
  334    H    HIS  51           H        HIS  51  10.540  -1.254 -11.181
  335    HA   HIS  51           HA       HIS  51  11.540  -2.011 -13.751
  336   1HB   HIS  51          1HB       HIS  51   9.231  -3.055 -13.836
  337   2HB   HIS  51          2HB       HIS  51   8.542  -1.457 -13.579
  338    HD1  HIS  51           HD1      HIS  51   8.613   0.193 -15.753
  339    HD2  HIS  51           HD2      HIS  51  10.594  -3.505 -16.192
  340    HE1  HIS  51           HE1      HIS  51   8.981  -0.125 -18.226
  341    H    ASP  52           H        ASP  52  12.684  -0.126 -14.162
  342    HA   ASP  52           HA       ASP  52  12.069   2.409 -13.208
  343   1HB   ASP  52          1HB       ASP  52  13.728   1.402 -15.528
  344   2HB   ASP  52          2HB       ASP  52  13.552   3.130 -15.201
  345    H    HIS  53           H        HIS  53  11.355   4.310 -14.394
  346    HA   HIS  53           HA       HIS  53   9.505   3.927 -16.653
  347   1HB   HIS  53          1HB       HIS  53   8.451   3.294 -14.336
  348   2HB   HIS  53          2HB       HIS  53   8.461   5.014 -14.006
  349    HD1  HIS  53           HD1      HIS  53   6.064   2.652 -14.812
  350    HD2  HIS  53           HD2      HIS  53   7.248   6.235 -16.696
  351    HE1  HIS  53           HE1      HIS  53   4.058   3.472 -16.175
  352    H    ASP  54           H        ASP  54  11.799   5.176 -16.861
  353    HA   ASP  54           HA       ASP  54  12.118   7.861 -16.031
  354   1HB   ASP  54          1HB       ASP  54  13.883   6.385 -16.876
  355   2HB   ASP  54          2HB       ASP  54  13.157   6.351 -18.474
  356    H    PHE  55           H        PHE  55  11.080   6.664 -19.255
  357    HA   PHE  55           HA       PHE  55   9.653   9.204 -19.794
  358   1HB   PHE  55          2HB       PHE  55  10.060   6.898 -21.715
  359   2HB   PHE  55          1HB       PHE  55   9.624   8.558 -22.084
  360    HD1  PHE  55           HD1      PHE  55  11.569  10.317 -21.053
  361    HD2  PHE  55           HD2      PHE  55  12.195   6.270 -22.395
  362    HE1  PHE  55           HE1      PHE  55  13.953  10.826 -21.490
  363    HE2  PHE  55           HE2      PHE  55  14.579   6.781 -22.825
  364    HZ   PHE  55           HZ       PHE  55  15.466   9.063 -22.378
  Start of MODEL   15
    1   1H    PHE   1          1H        PHE   1 -15.989   5.469   4.777
    2   2H    PHE   1          2H        PHE   1 -15.399   4.776   6.150
    3   3H    PHE   1          3H        PHE   1 -15.122   6.379   5.842
    4    HA   PHE   1           HA       PHE   1 -13.127   5.063   5.374
    5   1HB   PHE   1          2HB       PHE   1 -13.371   3.673   3.272
    6   2HB   PHE   1          1HB       PHE   1 -13.723   2.992   4.838
    7    HD1  PHE   1           HD1      PHE   1 -15.935   2.133   5.387
    8    HD2  PHE   1           HD2      PHE   1 -15.276   4.215   1.655
    9    HE1  PHE   1           HE1      PHE   1 -18.180   1.458   4.594
   10    HE2  PHE   1           HE2      PHE   1 -17.525   3.549   0.895
   11    HZ   PHE   1           HZ       PHE   1 -18.989   2.178   2.360
   12    H    GLN   2           H        GLN   2 -13.047   7.531   5.140
   13    HA   GLN   2           HA       GLN   2 -11.344   7.230   3.079
   14   1HB   GLN   2          1HB       GLN   2 -13.416   8.349   1.831
   15   2HB   GLN   2          2HB       GLN   2 -12.855   9.818   2.635
   16   1HG   GLN   2          1HG       GLN   2 -10.642   9.557   1.568
   17   2HG   GLN   2          2HG       GLN   2 -11.101   7.966   0.949
   18   1HE2  GLN   2          1HE2      GLN   2 -11.779   7.923  -1.167
   19   2HE2  GLN   2          2HE2      GLN   2 -12.454   9.325  -1.996
   20    H    GLY   3           H        GLY   3  -9.628   8.890   3.385
   21   1HA   GLY   3          1HA       GLY   3  -8.499  10.629   4.390
   22   2HA   GLY   3          2HA       GLY   3 -10.004  11.116   5.172
   23    H    ASN   4           H        ASN   4 -10.614   9.097   6.876
   24    HA   ASN   4           HA       ASN   4  -8.689   9.301   9.004
   25   1HB   ASN   4          1HB       ASN   4 -11.058   7.411   8.652
   26   2HB   ASN   4          2HB       ASN   4 -10.080   7.518  10.115
   27   1HD2  ASN   4          1HD2      ASN   4  -9.946   9.786  11.168
   28   2HD2  ASN   4          2HD2      ASN   4 -11.422  10.730  11.049
   29    HA   PRO   5           HA       PRO   5  -7.146   4.909   7.636
   30   1HB   PRO   5          1HB       PRO   5  -7.479   4.498   4.875
   31   2HB   PRO   5          2HB       PRO   5  -8.258   3.608   6.202
   32   1HG   PRO   5          1HG       PRO   5  -9.253   5.797   4.539
   33   2HG   PRO   5          2HG       PRO   5 -10.121   4.405   5.294
   34   1HD   PRO   5          1HD       PRO   5 -10.303   6.956   6.266
   35   2HD   PRO   5          2HD       PRO   5 -10.327   5.533   7.340
   36    H    CYS   6           H        CYS   6  -7.217   7.199   4.802
   37    HA   CYS   6           HA       CYS   6  -4.278   7.213   4.792
   38   1HB   CYS   6          1HB       CYS   6  -6.403   8.098   2.866
   39   2HB   CYS   6          2HB       CYS   6  -4.790   8.786   2.750
   40    H    GLU   7           H        GLU   7  -4.764   8.282   7.136
   41    HA   GLU   7           HA       GLU   7  -4.573  11.214   6.890
   42   1HB   GLU   7          1HB       GLU   7  -4.094  11.198   9.264
   43   2HB   GLU   7          2HB       GLU   7  -5.543  10.265   8.897
   44   1HG   GLU   7          1HG       GLU   7  -4.342   8.159   9.211
   45   2HG   GLU   7          2HG       GLU   7  -2.803   9.009   9.358
   46    H    CYS   8           H        CYS   8  -2.552   8.651   6.255
   47    HA   CYS   8           HA       CYS   8  -0.059   9.604   7.308
   48   1HB   CYS   8          1HB       CYS   8  -1.138   7.245   5.921
   49   2HB   CYS   8          2HB       CYS   8   0.482   7.629   5.375
   50    HA   PRO   9           HA       PRO   9   1.508  11.952   3.982
   51   1HB   PRO   9          1HB       PRO   9   4.199  11.721   4.181
   52   2HB   PRO   9          2HB       PRO   9   3.220  12.331   5.550
   53   1HG   PRO   9          1HG       PRO   9   4.302   9.529   5.130
   54   2HG   PRO   9          2HG       PRO   9   4.348  10.529   6.616
   55   1HD   PRO   9          1HD       PRO   9   2.434   8.593   6.027
   56   2HD   PRO   9          2HD       PRO   9   2.160   9.935   7.158
   57    H    ARG  10           H        ARG  10   2.675  12.019   1.944
   58    HA   ARG  10           HA       ARG  10   2.617   9.534   0.376
   59   1HB   ARG  10          1HB       ARG  10   3.192  12.456  -0.281
   60   2HB   ARG  10          2HB       ARG  10   3.329  11.160  -1.478
   61   1HG   ARG  10          1HG       ARG  10   1.006  10.552  -1.243
   62   2HG   ARG  10          2HG       ARG  10   0.754  11.719   0.060
   63   1HD   ARG  10          1HD       ARG  10   1.660  12.513  -2.739
   64   2HD   ARG  10          2HD       ARG  10  -0.033  12.412  -2.283
   65    HE   ARG  10           HE       ARG  10   1.922  14.430  -1.494
   66   1HH1  ARG  10          2HH2      ARG  10  -1.288  13.101  -0.815
   67   2HH1  ARG  10          1HH2      ARG  10  -1.874  14.501   0.012
   68   1HH2  ARG  10          2HH1      ARG  10   1.165  16.312  -0.374
   69   2HH2  ARG  10          1HH1      ARG  10  -0.435  16.360   0.263
   70    H    ALA  11           H        ALA  11   4.427   9.246   2.446
   71    HA   ALA  11           HA       ALA  11   7.082   9.635   1.647
   72   1HB   ALA  11          1HB       ALA  11   5.790   7.710   3.630
   73   2HB   ALA  11          2HB       ALA  11   7.540   7.967   3.473
   74   3HB   ALA  11          3HB       ALA  11   6.499   9.300   4.006
   75    H    LEU  12           H        LEU  12   8.243   8.464   0.125
   76    HA   LEU  12           HA       LEU  12   7.110   6.139  -1.175
   77   1HB   LEU  12          1HB       LEU  12   9.489   8.010  -1.409
   78   2HB   LEU  12          2HB       LEU  12   9.511   6.523  -2.295
   79    HG   LEU  12           HG       LEU  12   8.763   8.526  -3.520
   80   1HD1  LEU  12          1HD1      LEU  12   7.046   7.313  -4.833
   81   2HD1  LEU  12          2HD1      LEU  12   8.370   6.240  -4.363
   82   3HD1  LEU  12          3HD1      LEU  12   6.823   6.168  -3.491
   83   1HD2  LEU  12          1HD2      LEU  12   6.104   8.242  -2.094
   84   2HD2  LEU  12          2HD2      LEU  12   7.261   9.584  -1.923
   85   3HD2  LEU  12          3HD2      LEU  12   6.471   9.294  -3.473
   86    H    HIS  13           H        HIS  13   7.427   5.407   1.445
   87    HA   HIS  13           HA       HIS  13   9.951   3.865   1.769
   88   1HB   HIS  13          1HB       HIS  13   8.965   5.123   3.690
   89   2HB   HIS  13          2HB       HIS  13   7.530   4.105   3.606
   90    HD1  HIS  13           HD1      HIS  13   8.409   1.290   3.708
   91    HD2  HIS  13           HD2      HIS  13  10.645   4.358   5.513
   92    HE1  HIS  13           HE1      HIS  13   9.914   0.169   5.500
   93    H    ARG  14           H        ARG  14   9.191   2.884  -0.388
   94    HA   ARG  14           HA       ARG  14   6.754   1.736  -0.739
   95   1HB   ARG  14          1HB       ARG  14   9.318   0.790  -2.081
   96   2HB   ARG  14          2HB       ARG  14   7.679   0.436  -2.626
   97   1HG   ARG  14          1HG       ARG  14   7.295   2.963  -2.803
   98   2HG   ARG  14          2HG       ARG  14   9.029   3.151  -2.525
   99   1HD   ARG  14          1HD       ARG  14   8.730   3.214  -4.877
  100   2HD   ARG  14          2HD       ARG  14   9.428   1.625  -4.515
  101    HE   ARG  14           HE       ARG  14   6.578   1.467  -4.517
  102   1HH1  ARG  14          2HH2      ARG  14   9.286   1.721  -6.769
  103   2HH1  ARG  14          1HH2      ARG  14   8.456   1.015  -8.113
  104   1HH2  ARG  14          2HH1      ARG  14   5.397   0.591  -6.343
  105   2HH2  ARG  14          1HH1      ARG  14   6.199   0.345  -7.838
  106    H    VAL  15           H        VAL  15   5.714  -0.258  -0.709
  107    HA   VAL  15           HA       VAL  15   7.104  -2.545   0.514
  108    HB   VAL  15           HB       VAL  15   5.428  -3.019   2.076
  109   1HG1  VAL  15          1HG1      VAL  15   7.275  -1.470   2.707
  110   2HG1  VAL  15          2HG1      VAL  15   6.174  -0.118   2.407
  111   3HG1  VAL  15          3HG1      VAL  15   5.812  -1.284   3.703
  112   1HG2  VAL  15          1HG2      VAL  15   3.551  -1.655   2.630
  113   2HG2  VAL  15          2HG2      VAL  15   3.960  -0.449   1.373
  114   3HG2  VAL  15          3HG2      VAL  15   3.403  -2.082   0.950
  115    H    CYS  16           H        CYS  16   5.594  -4.601   0.410
  116    HA   CYS  16           HA       CYS  16   3.824  -4.374  -1.984
  117   1HB   CYS  16          1HB       CYS  16   5.541  -5.495  -2.794
  118   2HB   CYS  16          2HB       CYS  16   6.047  -6.196  -1.260
  119    H    GLY  17           H        GLY  17   1.861  -5.143  -1.980
  120   1HA   GLY  17          1HA       GLY  17   0.801  -6.460   0.463
  121   2HA   GLY  17          2HA       GLY  17  -0.155  -5.768  -0.842
  122    H    SER  18           H        SER  18  -0.484  -8.336   0.119
  123    HA   SER  18           HA       SER  18   0.564 -10.552  -0.696
  124   1HB   SER  18          1HB       SER  18  -1.403 -11.512  -0.142
  125   2HB   SER  18          2HB       SER  18  -1.807  -9.888   0.349
  126    HG   SER  18           HG       SER  18  -2.859  -9.625  -1.886
  127    H    ASP  19           H        ASP  19  -1.283  -8.783  -2.853
  128    HA   ASP  19           HA       ASP  19  -1.463 -10.175  -5.192
  129   1HB   ASP  19          1HB       ASP  19  -1.394  -7.256  -4.348
  130   2HB   ASP  19          2HB       ASP  19  -2.107  -7.743  -5.869
  131    H    GLY  20           H        GLY  20   1.501  -9.122  -3.880
  132   1HA   GLY  20          1HA       GLY  20   3.622  -8.812  -4.831
  133   2HA   GLY  20          2HA       GLY  20   2.943  -8.952  -6.454
  134    H    ASN  21           H        ASN  21   0.889  -6.999  -5.069
  135    HA   ASN  21           HA       ASN  21   1.379  -4.764  -6.636
  136   1HB   ASN  21          1HB       ASN  21  -0.770  -5.753  -5.940
  137   2HB   ASN  21          2HB       ASN  21  -0.436  -5.318  -4.251
  138   1HD2  ASN  21          1HD2      ASN  21  -0.037  -3.100  -7.208
  139   2HD2  ASN  21          2HD2      ASN  21  -1.489  -2.258  -6.717
  140    H    THR  22           H        THR  22   3.419  -3.736  -6.092
  141    HA   THR  22           HA       THR  22   4.019  -3.052  -3.463
  142    HB   THR  22           HB       THR  22   5.122  -1.860  -5.997
  143    HG1  THR  22           HG1      THR  22   5.836  -3.838  -6.011
  144   1HG2  THR  22          1HG2      THR  22   7.050  -1.186  -4.655
  145   2HG2  THR  22          2HG2      THR  22   5.609  -0.410  -3.967
  146   3HG2  THR  22          3HG2      THR  22   6.319  -1.832  -3.188
  147    H    TYR  23           H        TYR  23   3.762  -1.102  -2.295
  148    HA   TYR  23           HA       TYR  23   1.945   1.013  -3.333
  149   1HB   TYR  23          1HB       TYR  23   2.309  -0.138  -0.521
  150   2HB   TYR  23          2HB       TYR  23   1.398   1.310  -0.881
  151    HD1  TYR  23           HD1      TYR  23  -0.875   1.205  -1.666
  152    HD2  TYR  23           HD2      TYR  23   1.496  -2.389  -1.413
  153    HE1  TYR  23           HE1      TYR  23  -2.894  -0.149  -2.128
  154    HE2  TYR  23           HE2      TYR  23  -0.512  -3.739  -1.916
  155    HH   TYR  23           HH       TYR  23  -2.667  -3.146  -3.327
  156    H    SER  24           H        SER  24   2.589   3.171  -2.615
  157    HA   SER  24           HA       SER  24   5.267   3.792  -2.428
  158   1HB   SER  24          1HB       SER  24   2.946   5.383  -1.286
  159   2HB   SER  24          2HB       SER  24   4.511   6.020  -1.824
  160    HG   SER  24           HG       SER  24   3.966   5.573  -3.916
  161    H    ASN  25           H        ASN  25   3.049   2.898   0.270
  162    HA   ASN  25           HA       ASN  25   5.234   2.451   2.029
  163   1HB   ASN  25          1HB       ASN  25   4.513   4.094   3.804
  164   2HB   ASN  25          2HB       ASN  25   5.219   4.835   2.409
  165   1HD2  ASN  25          1HD2      ASN  25   4.132   6.581   1.655
  166   2HD2  ASN  25          2HD2      ASN  25   2.537   7.073   2.239
  167    HA   PRO  26           HA       PRO  26   2.188  -0.342   3.457
  168   1HB   PRO  26          1HB       PRO  26   2.635  -0.761   6.112
  169   2HB   PRO  26          2HB       PRO  26   3.767  -1.303   4.847
  170   1HG   PRO  26          1HG       PRO  26   3.932   1.166   6.570
  171   2HG   PRO  26          2HG       PRO  26   5.241   0.027   6.128
  172   1HD   PRO  26          1HD       PRO  26   4.808   2.426   4.895
  173   2HD   PRO  26          2HD       PRO  26   5.532   1.056   4.044
  174    H    CYS  27           H        CYS  27   2.199   2.864   4.696
  175    HA   CYS  27           HA       CYS  27  -0.101   2.605   6.431
  176   1HB   CYS  27          1HB       CYS  27   1.876   4.424   6.384
  177   2HB   CYS  27          2HB       CYS  27   0.799   5.221   5.256
  178    H    MET  28           H        MET  28   0.535   3.752   3.036
  179    HA   MET  28           HA       MET  28  -2.092   4.540   2.408
  180   1HB   MET  28          1HB       MET  28  -0.219   5.064   1.011
  181   2HB   MET  28          2HB       MET  28   0.242   3.396   0.791
  182   1HG   MET  28          1HG       MET  28  -1.568   2.887  -0.556
  183   2HG   MET  28          2HG       MET  28  -2.482   4.296   0.005
  184   1HE   MET  28          1HE       MET  28   0.024   2.957  -2.688
  185   2HE   MET  28          2HE       MET  28   0.818   4.453  -3.214
  186   3HE   MET  28          3HE       MET  28   1.090   3.839  -1.560
  187    H    LEU  29           H        LEU  29  -0.354   1.533   2.063
  188    HA   LEU  29           HA       LEU  29  -2.369  -0.095   0.987
  189   1HB   LEU  29          1HB       LEU  29  -0.329  -0.995   1.007
  190   2HB   LEU  29          2HB       LEU  29   0.006  -0.686   2.734
  191    HG   LEU  29           HG       LEU  29  -1.454  -2.855   1.493
  192   1HD1  LEU  29          1HD1      LEU  29   1.252  -2.876   2.836
  193   2HD1  LEU  29          2HD1      LEU  29   0.439  -4.245   2.029
  194   3HD1  LEU  29          3HD1      LEU  29   0.967  -2.866   1.083
  195   1HD2  LEU  29          1HD2      LEU  29  -2.400  -2.741   3.737
  196   2HD2  LEU  29          2HD2      LEU  29  -1.169  -3.978   3.823
  197   3HD2  LEU  29          3HD2      LEU  29  -0.797  -2.368   4.438
  198    H    THR  30           H        THR  30  -1.403  -0.020   4.402
  199    HA   THR  30           HA       THR  30  -3.713  -1.370   5.300
  200    HB   THR  30           HB       THR  30  -1.505  -0.510   6.560
  201    HG1  THR  30           HG1      THR  30  -2.384  -1.495   8.324
  202   1HG2  THR  30          1HG2      THR  30  -2.045   0.961   8.367
  203   2HG2  THR  30          2HG2      THR  30  -2.411   1.768   6.830
  204   3HG2  THR  30          3HG2      THR  30  -3.735   1.102   7.810
  205    H    CYS  31           H        CYS  31  -3.339   2.124   4.699
  206    HA   CYS  31           HA       CYS  31  -5.729   3.039   5.697
  207   1HB   CYS  31          1HB       CYS  31  -4.509   4.814   4.853
  208   2HB   CYS  31          2HB       CYS  31  -3.853   3.884   3.554
  209    H    ALA  32           H        ALA  32  -5.071   2.094   2.346
  210    HA   ALA  32           HA       ALA  32  -7.582   1.804   1.218
  211   1HB   ALA  32          1HB       ALA  32  -6.564   0.312  -0.314
  212   2HB   ALA  32          2HB       ALA  32  -5.457   1.672   0.078
  213   3HB   ALA  32          3HB       ALA  32  -5.181   0.052   0.773
  214    H    LYS  33           H        LYS  33  -5.776  -0.614   2.988
  215    HA   LYS  33           HA       LYS  33  -7.492  -2.834   2.821
  216   1HB   LYS  33          1HB       LYS  33  -5.158  -2.774   3.788
  217   2HB   LYS  33          2HB       LYS  33  -5.868  -2.123   5.273
  218   1HG   LYS  33          1HG       LYS  33  -7.322  -4.048   5.488
  219   2HG   LYS  33          2HG       LYS  33  -6.713  -4.713   3.958
  220   1HD   LYS  33          1HD       LYS  33  -4.598  -5.148   4.745
  221   2HD   LYS  33          2HD       LYS  33  -4.754  -4.178   6.138
  222   1HE   LYS  33          1HE       LYS  33  -6.553  -6.546   5.519
  223   2HE   LYS  33          2HE       LYS  33  -5.061  -6.731   6.434
  224   1HZ   LYS  33          1HZ       LYS  33  -6.033  -5.249   8.127
  225   2HZ   LYS  33          2HZ       LYS  33  -7.406  -5.105   7.224
  226   3HZ   LYS  33          3HZ       LYS  33  -7.003  -6.560   7.863
  227    H    HIS  34           H        HIS  34  -7.404  -0.445   5.457
  228    HA   HIS  34           HA       HIS  34  -9.925  -1.258   6.615
  229   1HB   HIS  34          1HB       HIS  34  -8.151   1.216   6.807
  230   2HB   HIS  34          2HB       HIS  34  -9.632   1.026   7.703
  231    HD1  HIS  34           HD1      HIS  34  -6.047  -0.200   7.521
  232    HD2  HIS  34           HD2      HIS  34  -9.597  -1.088   9.617
  233    HE1  HIS  34           HE1      HIS  34  -5.385  -1.703   9.502
  234    H    GLU  35           H        GLU  35  -8.963   0.936   4.077
  235    HA   GLU  35           HA       GLU  35 -11.455   2.476   4.187
  236   1HB   GLU  35          1HB       GLU  35  -9.079   3.196   3.292
  237   2HB   GLU  35          2HB       GLU  35  -9.687   2.538   1.773
  238   1HG   GLU  35          1HG       GLU  35 -11.576   4.114   1.934
  239   2HG   GLU  35          2HG       GLU  35 -10.938   4.777   3.402
  240    H    GLY  36           H        GLY  36 -10.446  -0.333   2.335
  241   1HA   GLY  36          1HA       GLY  36 -13.102  -1.178   1.683
  242   2HA   GLY  36          2HA       GLY  36 -12.467  -0.219   0.346
  243    H    ASN  37           H        ASN  37 -10.094  -2.165   2.142
  244    HA   ASN  37           HA       ASN  37 -10.239  -4.300   0.069
  245   1HB   ASN  37          1HB       ASN  37  -8.387  -2.314  -0.274
  246   2HB   ASN  37          2HB       ASN  37  -7.532  -3.202   0.885
  247   1HD2  ASN  37          1HD2      ASN  37  -6.519  -2.867  -1.645
  248   2HD2  ASN  37          2HD2      ASN  37  -6.485  -4.453  -2.393
  249    HA   PRO  38           HA       PRO  38  -9.651  -5.220   4.704
  250   1HB   PRO  38          1HB       PRO  38 -11.628  -7.135   5.094
  251   2HB   PRO  38          2HB       PRO  38 -11.841  -5.372   5.313
  252   1HG   PRO  38          1HG       PRO  38 -12.527  -7.051   2.889
  253   2HG   PRO  38          2HG       PRO  38 -13.529  -5.799   3.688
  254   1HD   PRO  38          1HD       PRO  38 -12.091  -5.240   1.454
  255   2HD   PRO  38          2HD       PRO  38 -12.215  -4.044   2.784
  256    H    ASP  39           H        ASP  39 -10.068  -7.242   1.954
  257    HA   ASP  39           HA       ASP  39  -8.872  -9.688   2.447
  258   1HB   ASP  39          1HB       ASP  39  -9.101  -7.798   0.056
  259   2HB   ASP  39          2HB       ASP  39  -8.609  -9.466  -0.078
  260    H    LEU  40           H        LEU  40  -7.393  -6.550   1.819
  261    HA   LEU  40           HA       LEU  40  -4.805  -7.532   0.803
  262   1HB   LEU  40          1HB       LEU  40  -5.300  -5.389   0.005
  263   2HB   LEU  40          2HB       LEU  40  -6.112  -4.924   1.489
  264    HG   LEU  40           HG       LEU  40  -4.142  -4.520   2.628
  265   1HD1  LEU  40          1HD1      LEU  40  -2.053  -4.854   1.963
  266   2HD1  LEU  40          2HD1      LEU  40  -2.742  -5.926   0.729
  267   3HD1  LEU  40          3HD1      LEU  40  -2.370  -4.276   0.280
  268   1HD2  LEU  40          1HD2      LEU  40  -5.228  -2.654   1.417
  269   2HD2  LEU  40          2HD2      LEU  40  -3.493  -2.406   1.534
  270   3HD2  LEU  40          3HD2      LEU  40  -4.207  -2.955   0.014
  271    H    VAL  41           H        VAL  41  -2.844  -7.337   1.959
  272    HA   VAL  41           HA       VAL  41  -2.788  -6.944   4.803
  273    HB   VAL  41           HB       VAL  41  -1.596  -9.100   5.095
  274   1HG1  VAL  41          1HG1      VAL  41  -3.485 -10.520   5.294
  275   2HG1  VAL  41          2HG1      VAL  41  -4.041  -8.853   5.617
  276   3HG1  VAL  41          3HG1      VAL  41  -4.381  -9.639   4.048
  277   1HG2  VAL  41          1HG2      VAL  41  -1.818 -10.936   3.514
  278   2HG2  VAL  41          2HG2      VAL  41  -2.735  -9.917   2.390
  279   3HG2  VAL  41          3HG2      VAL  41  -1.030  -9.567   2.741
  280    H    GLN  42           H        GLN  42  -0.661  -6.328   5.412
  281    HA   GLN  42           HA       GLN  42   1.278  -5.785   3.256
  282   1HB   GLN  42          1HB       GLN  42   0.951  -4.094   5.045
  283   2HB   GLN  42          2HB       GLN  42   1.418  -5.284   6.255
  284   1HG   GLN  42          1HG       GLN  42   3.512  -5.363   4.343
  285   2HG   GLN  42          2HG       GLN  42   3.098  -3.665   4.425
  286   1HE2  GLN  42          1HE2      GLN  42   3.855  -6.528   6.450
  287   2HE2  GLN  42          2HE2      GLN  42   4.671  -5.604   7.723
  288    H    VAL  43           H        VAL  43   1.532  -7.914   2.587
  289    HA   VAL  43           HA       VAL  43   1.977 -10.191   4.096
  290    HB   VAL  43           HB       VAL  43   3.283 -10.946   1.975
  291   1HG1  VAL  43          1HG1      VAL  43   0.462 -10.073   1.428
  292   2HG1  VAL  43          2HG1      VAL  43   1.307 -11.559   0.943
  293   3HG1  VAL  43          3HG1      VAL  43   0.800 -11.356   2.615
  294   1HG2  VAL  43          1HG2      VAL  43   2.703  -9.667  -0.066
  295   2HG2  VAL  43          2HG2      VAL  43   2.003  -8.377   0.919
  296   3HG2  VAL  43          3HG2      VAL  43   3.740  -8.704   1.000
  297    H    HIS  44           H        HIS  44   4.282  -7.742   2.908
  298    HA   HIS  44           HA       HIS  44   5.712  -7.974   5.324
  299   1HB   HIS  44          1HB       HIS  44   6.882  -9.749   3.863
  300   2HB   HIS  44          2HB       HIS  44   7.403  -8.412   2.834
  301    HD1  HIS  44           HD1      HIS  44   7.514  -8.869   6.728
  302    HD2  HIS  44           HD2      HIS  44   9.925  -7.991   3.385
  303    HE1  HIS  44           HE1      HIS  44   9.854  -8.334   7.621
  304    H    GLU  45           H        GLU  45   7.334  -6.101   5.391
  305    HA   GLU  45           HA       GLU  45   6.485  -3.887   3.651
  306   1HB   GLU  45          1HB       GLU  45   7.549  -2.426   5.099
  307   2HB   GLU  45          2HB       GLU  45   6.720  -3.578   6.093
  308   1HG   GLU  45          1HG       GLU  45   8.598  -3.730   7.260
  309   2HG   GLU  45          2HG       GLU  45   9.137  -4.821   6.002
  310    H    GLY  46           H        GLY  46   9.087  -2.704   3.202
  311   1HA   GLY  46          1HA       GLY  46  10.365  -2.665   1.321
  312   2HA   GLY  46          2HA       GLY  46  10.669  -4.389   1.595
  313    HA   PRO  47           HA       PRO  47   7.618  -3.590  -1.997
  314   1HB   PRO  47          1HB       PRO  47   8.980  -2.834  -4.180
  315   2HB   PRO  47          2HB       PRO  47   8.640  -1.682  -2.845
  316   1HG   PRO  47          1HG       PRO  47  11.203  -3.261  -3.276
  317   2HG   PRO  47          2HG       PRO  47  11.028  -1.488  -3.052
  318   1HD   PRO  47          1HD       PRO  47  11.551  -3.172  -0.955
  319   2HD   PRO  47          2HD       PRO  47  10.512  -1.729  -0.768
  320    H    CYS  48           H        CYS  48   7.100  -5.025  -3.725
  321    HA   CYS  48           HA       CYS  48   8.782  -7.484  -3.917
  322   1HB   CYS  48          1HB       CYS  48   5.931  -6.889  -4.784
  323   2HB   CYS  48          2HB       CYS  48   6.814  -8.297  -5.314
  324    H    ASP  49           H        ASP  49   6.728  -5.644  -6.178
  325    HA   ASP  49           HA       ASP  49   8.590  -5.131  -8.179
  326   1HB   ASP  49          1HB       ASP  49   7.967  -6.883  -9.699
  327   2HB   ASP  49          2HB       ASP  49   8.384  -7.689  -8.191
  328    H    GLU  50           H        GLU  50   6.822  -5.072 -10.271
  329    HA   GLU  50           HA       GLU  50   4.393  -5.103 -10.425
  330   1HB   GLU  50          1HB       GLU  50   3.748  -3.815  -8.516
  331   2HB   GLU  50          2HB       GLU  50   4.647  -2.385  -9.072
  332   1HG   GLU  50          1HG       GLU  50   3.018  -2.054 -10.850
  333   2HG   GLU  50          2HG       GLU  50   2.275  -3.630 -10.521
  334    H    HIS  51           H        HIS  51   6.769  -2.553 -11.059
  335    HA   HIS  51           HA       HIS  51   5.931  -2.642 -13.915
  336   1HB   HIS  51          1HB       HIS  51   5.161  -0.548 -12.735
  337   2HB   HIS  51          2HB       HIS  51   6.853  -0.118 -12.506
  338    HD1  HIS  51           HD1      HIS  51   7.894  -0.865 -15.609
  339    HD2  HIS  51           HD2      HIS  51   4.416   1.258 -14.414
  340    HE1  HIS  51           HE1      HIS  51   7.168   0.505 -17.565
  341    H    ASP  52           H        ASP  52   7.481  -3.709 -14.859
  342    HA   ASP  52           HA       ASP  52  10.170  -3.954 -14.183
  343   1HB   ASP  52          1HB       ASP  52  10.442  -4.643 -16.564
  344   2HB   ASP  52          2HB       ASP  52   9.137  -5.478 -15.719
  345    H    HIS  53           H        HIS  53  11.865  -2.612 -14.385
  346    HA   HIS  53           HA       HIS  53  11.591  -0.021 -15.801
  347   1HB   HIS  53          1HB       HIS  53  13.153   0.863 -14.183
  348   2HB   HIS  53          2HB       HIS  53  11.763   0.152 -13.374
  349    HD1  HIS  53           HD1      HIS  53  15.276  -1.049 -14.373
  350    HD2  HIS  53           HD2      HIS  53  12.393  -1.368 -11.334
  351    HE1  HIS  53           HE1      HIS  53  16.314  -2.554 -12.505
  352    H    ASP  54           H        ASP  54  12.260  -2.460 -17.214
  353    HA   ASP  54           HA       ASP  54  15.120  -2.782 -17.390
  354   1HB   ASP  54          1HB       ASP  54  13.241  -4.504 -17.790
  355   2HB   ASP  54          2HB       ASP  54  13.057  -3.782 -19.386
  356    H    PHE  55           H        PHE  55  16.264  -2.638 -19.582
  357    HA   PHE  55           HA       PHE  55  15.494  -0.405 -21.309
  358   1HB   PHE  55          2HB       PHE  55  16.415   0.756 -19.303
  359   2HB   PHE  55          1HB       PHE  55  17.915  -0.144 -19.471
  360    HD1  PHE  55           HD1      PHE  55  19.482   0.351 -21.345
  361    HD2  PHE  55           HD2      PHE  55  15.877   2.632 -20.763
  362    HE1  PHE  55           HE1      PHE  55  20.374   2.139 -22.825
  363    HE2  PHE  55           HE2      PHE  55  16.761   4.413 -22.253
  364    HZ   PHE  55           HZ       PHE  55  19.006   4.165 -23.296
  Start of MODEL   16
    1   1H    PHE   1          1H        PHE   1 -16.244   4.764   4.173
    2   2H    PHE   1          2H        PHE   1 -15.834   6.355   3.962
    3   3H    PHE   1          3H        PHE   1 -16.065   5.375   2.655
    4    HA   PHE   1           HA       PHE   1 -13.820   5.121   4.585
    5   1HB   PHE   1          2HB       PHE   1 -13.567   3.525   2.215
    6   2HB   PHE   1          1HB       PHE   1 -13.408   3.170   3.918
    7    HD1  PHE   1           HD1      PHE   1 -15.282   2.204   5.232
    8    HD2  PHE   1           HD2      PHE   1 -15.656   3.019   1.006
    9    HE1  PHE   1           HE1      PHE   1 -17.383   0.887   5.155
   10    HE2  PHE   1           HE2      PHE   1 -17.750   1.692   0.941
   11    HZ   PHE   1           HZ       PHE   1 -18.619   0.633   3.014
   12    H    GLN   2           H        GLN   2 -13.337   7.199   4.489
   13    HA   GLN   2           HA       GLN   2 -11.132   7.268   2.936
   14   1HB   GLN   2          1HB       GLN   2 -12.933   8.443   1.348
   15   2HB   GLN   2          2HB       GLN   2 -12.778   9.765   2.507
   16   1HG   GLN   2          1HG       GLN   2 -10.139   9.331   1.992
   17   2HG   GLN   2          2HG       GLN   2 -10.803   8.652   0.518
   18   1HE2  GLN   2          1HE2      GLN   2 -12.273  10.164  -0.809
   19   2HE2  GLN   2          2HE2      GLN   2 -11.966  11.890  -0.649
   20    H    GLY   3           H        GLY   3  -9.856   8.993   3.854
   21   1HA   GLY   3          1HA       GLY   3  -9.247  10.815   5.218
   22   2HA   GLY   3          2HA       GLY   3 -10.970  11.059   5.508
   23    H    ASN   4           H        ASN   4 -10.008   7.997   6.444
   24    HA   ASN   4           HA       ASN   4  -9.112   8.731   9.112
   25   1HB   ASN   4          1HB       ASN   4 -11.733   8.030   8.922
   26   2HB   ASN   4          2HB       ASN   4 -11.034   6.438   9.196
   27   1HD2  ASN   4          1HD2      ASN   4  -8.737   7.314  10.850
   28   2HD2  ASN   4          2HD2      ASN   4  -9.440   7.931  12.337
   29    HA   PRO   5           HA       PRO   5  -7.444   4.342   7.747
   30   1HB   PRO   5          1HB       PRO   5  -7.621   4.216   4.934
   31   2HB   PRO   5          2HB       PRO   5  -8.464   3.181   6.122
   32   1HG   PRO   5          1HG       PRO   5  -9.399   5.541   4.636
   33   2HG   PRO   5          2HG       PRO   5 -10.280   4.053   5.171
   34   1HD   PRO   5          1HD       PRO   5 -10.637   6.397   6.447
   35   2HD   PRO   5          2HD       PRO   5 -10.550   4.868   7.349
   36    H    CYS   6           H        CYS   6  -7.425   7.039   5.320
   37    HA   CYS   6           HA       CYS   6  -4.467   7.000   5.297
   38   1HB   CYS   6          1HB       CYS   6  -6.596   8.122   3.500
   39   2HB   CYS   6          2HB       CYS   6  -5.017   8.888   3.536
   40    H    GLU   7           H        GLU   7  -3.629   8.041   7.000
   41    HA   GLU   7           HA       GLU   7  -4.145  10.947   7.199
   42   1HB   GLU   7          1HB       GLU   7  -5.438   9.605   8.951
   43   2HB   GLU   7          2HB       GLU   7  -3.881   9.144   9.642
   44   1HG   GLU   7          1HG       GLU   7  -3.361  11.606   9.932
   45   2HG   GLU   7          2HG       GLU   7  -4.952  11.987   9.272
   46    H    CYS   8           H        CYS   8  -2.146  10.172   5.629
   47    HA   CYS   8           HA       CYS   8   0.330   9.968   7.247
   48   1HB   CYS   8          1HB       CYS   8  -1.026   7.888   5.605
   49   2HB   CYS   8          2HB       CYS   8   0.699   8.034   5.325
   50    HA   PRO   9           HA       PRO   9   2.185  12.291   4.074
   51   1HB   PRO   9          1HB       PRO   9   4.822  11.707   4.270
   52   2HB   PRO   9          2HB       PRO   9   3.917  12.356   5.673
   53   1HG   PRO   9          1HG       PRO   9   4.573   9.450   5.066
   54   2HG   PRO   9          2HG       PRO   9   4.831  10.344   6.600
   55   1HD   PRO   9          1HD       PRO   9   2.624   8.782   6.090
   56   2HD   PRO   9          2HD       PRO   9   2.568  10.203   7.158
   57    H    ARG  10           H        ARG  10   3.489  12.300   2.085
   58    HA   ARG  10           HA       ARG  10   3.228   9.863   0.422
   59   1HB   ARG  10          1HB       ARG  10   3.949  12.767  -0.172
   60   2HB   ARG  10          2HB       ARG  10   4.218  11.478  -1.337
   61   1HG   ARG  10          1HG       ARG  10   2.188  12.525  -1.903
   62   2HG   ARG  10          2HG       ARG  10   1.846  10.884  -1.352
   63   1HD   ARG  10          1HD       ARG  10   1.002  11.727   0.781
   64   2HD   ARG  10          2HD       ARG  10   1.508  13.383   0.361
   65    HE   ARG  10           HE       ARG  10  -0.169  12.449  -1.682
   66   1HH1  ARG  10          2HH2      ARG  10  -0.503  13.182   1.765
   67   2HH1  ARG  10          1HH2      ARG  10  -2.126  13.758   1.650
   68   1HH2  ARG  10          2HH1      ARG  10  -2.359  13.148  -1.852
   69   2HH2  ARG  10          1HH1      ARG  10  -3.212  13.698  -0.459
   70    H    ALA  11           H        ALA  11   4.889   9.373   2.575
   71    HA   ALA  11           HA       ALA  11   7.587   9.635   1.884
   72   1HB   ALA  11          1HB       ALA  11   7.901   7.846   3.610
   73   2HB   ALA  11          2HB       ALA  11   6.930   9.204   4.210
   74   3HB   ALA  11          3HB       ALA  11   6.136   7.683   3.722
   75    H    LEU  12           H        LEU  12   8.593   8.564   0.236
   76    HA   LEU  12           HA       LEU  12   7.312   6.502  -1.305
   77   1HB   LEU  12          1HB       LEU  12   9.881   8.118  -1.281
   78   2HB   LEU  12          2HB       LEU  12   9.809   6.729  -2.316
   79    HG   LEU  12           HG       LEU  12   9.300   8.896  -3.359
   80   1HD1  LEU  12          1HD1      LEU  12   8.731   6.735  -4.422
   81   2HD1  LEU  12          2HD1      LEU  12   7.145   6.741  -3.618
   82   3HD1  LEU  12          3HD1      LEU  12   7.539   7.972  -4.840
   83   1HD2  LEU  12          1HD2      LEU  12   7.863   9.958  -1.742
   84   2HD2  LEU  12          2HD2      LEU  12   7.072   9.850  -3.316
   85   3HD2  LEU  12          3HD2      LEU  12   6.590   8.740  -2.018
   86    H    HIS  13           H        HIS  13   7.464   5.440   1.220
   87    HA   HIS  13           HA       HIS  13   9.722   3.483   1.265
   88   1HB   HIS  13          1HB       HIS  13   7.635   4.355   3.219
   89   2HB   HIS  13          2HB       HIS  13   7.905   2.621   3.164
   90    HD1  HIS  13           HD1      HIS  13   9.849   1.656   4.470
   91    HD2  HIS  13           HD2      HIS  13  10.113   5.811   3.661
   92    HE1  HIS  13           HE1      HIS  13  11.916   2.546   5.710
   93    H    ARG  14           H        ARG  14   9.076   2.828  -1.034
   94    HA   ARG  14           HA       ARG  14   6.514   1.713  -1.512
   95   1HB   ARG  14          1HB       ARG  14   9.202   0.977  -2.725
   96   2HB   ARG  14          2HB       ARG  14   7.625   0.379  -3.292
   97   1HG   ARG  14          1HG       ARG  14   6.870   2.513  -3.948
   98   2HG   ARG  14          2HG       ARG  14   8.231   3.337  -3.175
   99   1HD   ARG  14          1HD       ARG  14   8.411   3.030  -5.699
  100   2HD   ARG  14          2HD       ARG  14   9.791   2.559  -4.694
  101    HE   ARG  14           HE       ARG  14   8.143   0.267  -5.142
  102   1HH1  ARG  14          2HH2      ARG  14  10.621   2.400  -6.473
  103   2HH1  ARG  14          1HH2      ARG  14  11.324   1.273  -7.575
  104   1HH2  ARG  14          2HH1      ARG  14   8.907  -1.283  -7.164
  105   2HH2  ARG  14          1HH1      ARG  14  10.201  -0.566  -8.096
  106    H    VAL  15           H        VAL  15   5.598  -0.324  -1.281
  107    HA   VAL  15           HA       VAL  15   7.122  -2.507   0.026
  108    HB   VAL  15           HB       VAL  15   5.345  -2.688   1.746
  109   1HG1  VAL  15          1HG1      VAL  15   6.551   0.055   1.849
  110   2HG1  VAL  15          2HG1      VAL  15   6.140  -1.013   3.179
  111   3HG1  VAL  15          3HG1      VAL  15   7.501  -1.404   2.084
  112   1HG2  VAL  15          1HG2      VAL  15   3.844  -0.841   2.189
  113   2HG2  VAL  15          2HG2      VAL  15   4.402   0.040   0.753
  114   3HG2  VAL  15          3HG2      VAL  15   3.506  -1.500   0.600
  115    H    CYS  16           H        CYS  16   5.739  -4.528   0.176
  116    HA   CYS  16           HA       CYS  16   3.871  -4.651  -2.150
  117   1HB   CYS  16          1HB       CYS  16   5.921  -5.867  -2.279
  118   2HB   CYS  16          2HB       CYS  16   5.661  -6.652  -0.767
  119    H    GLY  17           H        GLY  17   1.780  -5.225  -1.879
  120   1HA   GLY  17          1HA       GLY  17   0.879  -6.436   0.683
  121   2HA   GLY  17          2HA       GLY  17  -0.162  -5.751  -0.554
  122    H    SER  18           H        SER  18  -0.370  -8.333   0.431
  123    HA   SER  18           HA       SER  18   0.820 -10.418  -0.396
  124   1HB   SER  18          1HB       SER  18  -1.135 -11.722   0.056
  125   2HB   SER  18          2HB       SER  18  -1.168 -10.298   1.040
  126    HG   SER  18           HG       SER  18  -3.205 -10.719  -0.029
  127    H    ASP  19           H        ASP  19  -1.418  -9.035  -2.785
  128    HA   ASP  19           HA       ASP  19  -1.149 -11.215  -4.634
  129   1HB   ASP  19          1HB       ASP  19  -2.966  -9.387  -4.510
  130   2HB   ASP  19          2HB       ASP  19  -1.816  -8.353  -5.335
  131    H    GLY  20           H        GLY  20   1.355  -9.308  -3.645
  132   1HA   GLY  20          1HA       GLY  20   3.450  -8.878  -4.723
  133   2HA   GLY  20          2HA       GLY  20   2.721  -9.176  -6.295
  134    H    ASN  21           H        ASN  21   0.663  -7.371  -4.374
  135    HA   ASN  21           HA       ASN  21   0.518  -5.265  -6.191
  136   1HB   ASN  21          1HB       ASN  21  -1.225  -6.543  -4.658
  137   2HB   ASN  21          2HB       ASN  21  -0.845  -5.347  -3.475
  138   1HD2  ASN  21          1HD2      ASN  21  -1.757  -5.669  -6.975
  139   2HD2  ASN  21          2HD2      ASN  21  -2.924  -4.367  -6.907
  140    H    THR  22           H        THR  22   2.630  -4.085  -6.026
  141    HA   THR  22           HA       THR  22   3.514  -3.176  -3.561
  142    HB   THR  22           HB       THR  22   4.136  -1.937  -6.248
  143    HG1  THR  22           HG1      THR  22   5.845  -3.351  -6.193
  144   1HG2  THR  22          1HG2      THR  22   4.934  -0.523  -4.289
  145   2HG2  THR  22          2HG2      THR  22   5.815  -1.942  -3.692
  146   3HG2  THR  22          3HG2      THR  22   6.255  -1.221  -5.239
  147    H    TYR  23           H        TYR  23   3.355  -1.201  -2.410
  148    HA   TYR  23           HA       TYR  23   1.400   0.842  -3.293
  149   1HB   TYR  23          1HB       TYR  23   1.844  -0.379  -0.531
  150   2HB   TYR  23          2HB       TYR  23   1.058   1.159  -0.777
  151    HD1  TYR  23           HD1      TYR  23  -1.263   1.296  -1.539
  152    HD2  TYR  23           HD2      TYR  23   0.807  -2.485  -1.386
  153    HE1  TYR  23           HE1      TYR  23  -3.378   0.117  -2.093
  154    HE2  TYR  23           HE2      TYR  23  -1.279  -3.657  -1.967
  155    HH   TYR  23           HH       TYR  23  -3.257  -3.046  -3.340
  156    H    SER  24           H        SER  24   2.038   3.007  -2.600
  157    HA   SER  24           HA       SER  24   4.756   3.566  -2.713
  158   1HB   SER  24          1HB       SER  24   3.769   5.908  -2.069
  159   2HB   SER  24          2HB       SER  24   3.353   5.159  -3.620
  160    HG   SER  24           HG       SER  24   1.530   5.975  -2.468
  161    H    ASN  25           H        ASN  25   2.736   2.854   0.069
  162    HA   ASN  25           HA       ASN  25   4.874   2.649   1.766
  163   1HB   ASN  25          1HB       ASN  25   4.226   4.296   3.556
  164   2HB   ASN  25          2HB       ASN  25   5.069   4.925   2.176
  165   1HD2  ASN  25          1HD2      ASN  25   4.291   6.809   1.494
  166   2HD2  ASN  25          2HD2      ASN  25   2.744   7.503   2.021
  167    HA   PRO  26           HA       PRO  26   2.080  -0.118   3.448
  168   1HB   PRO  26          1HB       PRO  26   2.881  -0.472   6.050
  169   2HB   PRO  26          2HB       PRO  26   3.804  -1.037   4.621
  170   1HG   PRO  26          1HG       PRO  26   4.255   1.465   6.237
  171   2HG   PRO  26          2HG       PRO  26   5.463   0.264   5.659
  172   1HD   PRO  26          1HD       PRO  26   4.983   2.594   4.371
  173   2HD   PRO  26          2HD       PRO  26   5.388   1.117   3.478
  174    H    CYS  27           H        CYS  27   2.248   3.070   4.806
  175    HA   CYS  27           HA       CYS  27  -0.163   2.909   6.365
  176   1HB   CYS  27          1HB       CYS  27   1.680   4.767   6.366
  177   2HB   CYS  27          2HB       CYS  27   0.775   5.433   5.011
  178    H    MET  28           H        MET  28   0.539   4.001   2.965
  179    HA   MET  28           HA       MET  28  -2.159   4.378   2.201
  180   1HB   MET  28          1HB       MET  28   0.270   3.589   0.551
  181   2HB   MET  28          2HB       MET  28  -1.304   3.796  -0.140
  182   1HG   MET  28          1HG       MET  28  -0.206   5.977   1.644
  183   2HG   MET  28          2HG       MET  28   0.464   5.787   0.031
  184   1HE   MET  28          1HE       MET  28  -2.262   4.884  -1.661
  185   2HE   MET  28          2HE       MET  28  -2.471   6.506  -2.343
  186   3HE   MET  28          3HE       MET  28  -0.833   5.832  -2.123
  187    H    LEU  29           H        LEU  29  -0.255   1.351   2.211
  188    HA   LEU  29           HA       LEU  29  -2.258  -0.403   1.190
  189   1HB   LEU  29          1HB       LEU  29  -0.090  -1.114   1.388
  190   2HB   LEU  29          2HB       LEU  29  -0.001  -0.812   3.147
  191    HG   LEU  29           HG       LEU  29  -1.322  -2.991   1.765
  192   1HD1  LEU  29          1HD1      LEU  29   0.537  -4.397   2.577
  193   2HD1  LEU  29          2HD1      LEU  29   1.077  -3.112   1.498
  194   3HD1  LEU  29          3HD1      LEU  29   1.296  -2.938   3.251
  195   1HD2  LEU  29          1HD2      LEU  29  -2.434  -2.822   3.935
  196   2HD2  LEU  29          2HD2      LEU  29  -1.251  -4.109   4.101
  197   3HD2  LEU  29          3HD2      LEU  29  -0.872  -2.513   4.752
  198    H    THR  30           H        THR  30  -1.398   0.000   4.653
  199    HA   THR  30           HA       THR  30  -3.731  -1.354   5.481
  200    HB   THR  30           HB       THR  30  -1.699  -0.631   6.891
  201    HG1  THR  30           HG1      THR  30  -4.354  -0.678   7.856
  202   1HG2  THR  30          1HG2      THR  30  -2.015   1.229   8.361
  203   2HG2  THR  30          2HG2      THR  30  -2.118   1.791   6.678
  204   3HG2  THR  30          3HG2      THR  30  -3.596   1.613   7.639
  205    H    CYS  31           H        CYS  31  -3.371   2.080   4.700
  206    HA   CYS  31           HA       CYS  31  -5.749   3.023   5.670
  207   1HB   CYS  31          1HB       CYS  31  -4.333   4.706   4.820
  208   2HB   CYS  31          2HB       CYS  31  -3.930   3.781   3.391
  209    H    ALA  32           H        ALA  32  -5.049   2.144   2.276
  210    HA   ALA  32           HA       ALA  32  -7.510   1.776   1.132
  211   1HB   ALA  32          1HB       ALA  32  -5.382   1.574   0.014
  212   2HB   ALA  32          2HB       ALA  32  -5.067   0.034   0.855
  213   3HB   ALA  32          3HB       ALA  32  -6.435   0.146  -0.279
  214    H    LYS  33           H        LYS  33  -5.746  -0.579   3.059
  215    HA   LYS  33           HA       LYS  33  -7.495  -2.789   2.860
  216   1HB   LYS  33          1HB       LYS  33  -5.170  -2.755   3.872
  217   2HB   LYS  33          2HB       LYS  33  -5.902  -2.107   5.344
  218   1HG   LYS  33          1HG       LYS  33  -7.378  -4.035   5.515
  219   2HG   LYS  33          2HG       LYS  33  -6.735  -4.687   3.995
  220   1HD   LYS  33          1HD       LYS  33  -4.639  -5.136   4.834
  221   2HD   LYS  33          2HD       LYS  33  -4.842  -4.148   6.219
  222   1HE   LYS  33          1HE       LYS  33  -6.608  -6.540   5.602
  223   2HE   LYS  33          2HE       LYS  33  -5.111  -6.710   6.519
  224   1HZ   LYS  33          1HZ       LYS  33  -7.064  -6.542   7.940
  225   2HZ   LYS  33          2HZ       LYS  33  -6.075  -5.247   8.207
  226   3HZ   LYS  33          3HZ       LYS  33  -7.449  -5.078   7.307
  227    H    HIS  34           H        HIS  34  -7.399  -0.428   5.557
  228    HA   HIS  34           HA       HIS  34  -9.974  -1.244   6.597
  229   1HB   HIS  34          1HB       HIS  34  -7.915   0.858   7.194
  230   2HB   HIS  34          2HB       HIS  34  -9.563   1.272   7.601
  231    HD1  HIS  34           HD1      HIS  34  -6.794  -0.106   9.350
  232    HD2  HIS  34           HD2      HIS  34 -10.873  -1.068   8.949
  233    HE1  HIS  34           HE1      HIS  34  -7.418  -1.547  11.377
  234    H    GLU  35           H        GLU  35  -9.011   0.904   3.993
  235    HA   GLU  35           HA       GLU  35 -11.464   2.445   4.125
  236   1HB   GLU  35          1HB       GLU  35  -9.074   2.823   2.841
  237   2HB   GLU  35          2HB       GLU  35 -10.107   2.297   1.507
  238   1HG   GLU  35          1HG       GLU  35 -11.500   4.128   1.720
  239   2HG   GLU  35          2HG       GLU  35 -10.921   4.590   3.273
  240    H    GLY  36           H        GLY  36 -10.361  -0.076   1.771
  241   1HA   GLY  36          1HA       GLY  36 -13.063  -1.243   1.684
  242   2HA   GLY  36          2HA       GLY  36 -12.579  -0.354   0.236
  243    H    ASN  37           H        ASN  37 -10.120  -2.166   2.117
  244    HA   ASN  37           HA       ASN  37 -10.203  -4.314   0.025
  245   1HB   ASN  37          1HB       ASN  37  -8.356  -2.349  -0.263
  246   2HB   ASN  37          2HB       ASN  37  -7.531  -3.231   0.928
  247   1HD2  ASN  37          1HD2      ASN  37  -6.485  -2.946  -1.650
  248   2HD2  ASN  37          2HD2      ASN  37  -6.457  -4.566  -2.312
  249    HA   PRO  38           HA       PRO  38  -9.912  -5.650   4.516
  250   1HB   PRO  38          1HB       PRO  38 -11.881  -7.594   4.520
  251   2HB   PRO  38          2HB       PRO  38 -12.175  -5.861   4.855
  252   1HG   PRO  38          1HG       PRO  38 -12.506  -7.328   2.220
  253   2HG   PRO  38          2HG       PRO  38 -13.668  -6.222   3.022
  254   1HD   PRO  38          1HD       PRO  38 -12.034  -5.339   1.049
  255   2HD   PRO  38          2HD       PRO  38 -12.354  -4.316   2.484
  256    H    ASP  39           H        ASP  39  -9.832  -7.223   1.446
  257    HA   ASP  39           HA       ASP  39  -8.621  -9.738   2.189
  258   1HB   ASP  39          1HB       ASP  39  -9.806  -8.407  -0.118
  259   2HB   ASP  39          2HB       ASP  39  -8.223  -8.985  -0.572
  260    H    LEU  40           H        LEU  40  -7.348  -6.494   1.804
  261    HA   LEU  40           HA       LEU  40  -4.700  -7.301   0.800
  262   1HB   LEU  40          1HB       LEU  40  -5.358  -5.131   0.113
  263   2HB   LEU  40          2HB       LEU  40  -6.110  -4.775   1.673
  264    HG   LEU  40           HG       LEU  40  -4.127  -4.448   2.735
  265   1HD1  LEU  40          1HD1      LEU  40  -2.811  -5.896   0.804
  266   2HD1  LEU  40          2HD1      LEU  40  -2.310  -4.255   0.434
  267   3HD1  LEU  40          3HD1      LEU  40  -2.074  -4.934   2.090
  268   1HD2  LEU  40          1HD2      LEU  40  -3.346  -2.355   1.573
  269   2HD2  LEU  40          2HD2      LEU  40  -4.194  -2.869   0.116
  270   3HD2  LEU  40          3HD2      LEU  40  -5.106  -2.496   1.570
  271    H    VAL  41           H        VAL  41  -2.877  -7.259   2.200
  272    HA   VAL  41           HA       VAL  41  -3.301  -7.090   5.071
  273    HB   VAL  41           HB       VAL  41  -2.181  -9.282   5.368
  274   1HG1  VAL  41          1HG1      VAL  41  -4.085 -10.687   5.067
  275   2HG1  VAL  41          2HG1      VAL  41  -4.680  -9.066   5.487
  276   3HG1  VAL  41          3HG1      VAL  41  -4.753  -9.649   3.803
  277   1HG2  VAL  41          1HG2      VAL  41  -2.768  -9.745   2.421
  278   2HG2  VAL  41          2HG2      VAL  41  -1.146  -9.525   3.139
  279   3HG2  VAL  41          3HG2      VAL  41  -2.118 -10.932   3.565
  280    H    GLN  42           H        GLN  42  -1.311  -6.754   6.162
  281    HA   GLN  42           HA       GLN  42   0.964  -5.839   4.569
  282   1HB   GLN  42          1HB       GLN  42   0.149  -4.818   6.784
  283   2HB   GLN  42          2HB       GLN  42   0.750  -6.261   7.582
  284   1HG   GLN  42          1HG       GLN  42   2.533  -4.761   7.794
  285   2HG   GLN  42          2HG       GLN  42   3.031  -5.716   6.398
  286   1HE2  GLN  42          1HE2      GLN  42   3.815  -4.389   4.641
  287   2HE2  GLN  42          2HE2      GLN  42   3.281  -2.736   4.463
  288    H    VAL  43           H        VAL  43   1.255  -7.862   3.381
  289    HA   VAL  43           HA       VAL  43   1.971 -10.314   4.485
  290    HB   VAL  43           HB       VAL  43   3.639 -10.403   2.449
  291   1HG1  VAL  43          1HG1      VAL  43   1.488 -11.626   2.789
  292   2HG1  VAL  43          2HG1      VAL  43   0.668 -10.254   1.999
  293   3HG1  VAL  43          3HG1      VAL  43   1.903 -11.239   1.126
  294   1HG2  VAL  43          1HG2      VAL  43   2.814  -9.024   0.550
  295   2HG2  VAL  43          2HG2      VAL  43   1.736  -8.146   1.642
  296   3HG2  VAL  43          3HG2      VAL  43   3.497  -8.011   1.818
  297    H    HIS  44           H        HIS  44   3.975  -7.469   3.637
  298    HA   HIS  44           HA       HIS  44   5.567  -7.527   5.921
  299   1HB   HIS  44          1HB       HIS  44   7.694  -8.083   5.042
  300   2HB   HIS  44          2HB       HIS  44   6.663  -9.438   4.815
  301    HD1  HIS  44           HD1      HIS  44   6.448  -6.856   1.940
  302    HD2  HIS  44           HD2      HIS  44   8.838 -10.092   3.189
  303    HE1  HIS  44           HE1      HIS  44   7.642  -7.684  -0.091
  304    H    GLU  45           H        GLU  45   7.633  -5.932   5.043
  305    HA   GLU  45           HA       GLU  45   6.396  -3.489   4.011
  306   1HB   GLU  45          1HB       GLU  45   8.228  -3.950   5.919
  307   2HB   GLU  45          2HB       GLU  45   9.363  -3.818   4.619
  308   1HG   GLU  45          1HG       GLU  45   7.223  -1.676   5.000
  309   2HG   GLU  45          2HG       GLU  45   8.483  -1.792   6.184
  310    H    GLY  46           H        GLY  46   9.163  -3.053   2.516
  311   1HA   GLY  46          1HA       GLY  46  10.313  -3.545   0.681
  312   2HA   GLY  46          2HA       GLY  46   9.945  -5.214   1.039
  313    HA   PRO  47           HA       PRO  47   7.255  -3.554  -2.613
  314   1HB   PRO  47          1HB       PRO  47   8.715  -2.616  -4.696
  315   2HB   PRO  47          2HB       PRO  47   8.277  -1.620  -3.277
  316   1HG   PRO  47          1HG       PRO  47  10.902  -3.041  -3.782
  317   2HG   PRO  47          2HG       PRO  47  10.646  -1.338  -3.280
  318   1HD   PRO  47          1HD       PRO  47  11.171  -3.388  -1.508
  319   2HD   PRO  47          2HD       PRO  47  10.186  -1.970  -1.071
  320    H    CYS  48           H        CYS  48   6.515  -5.089  -3.989
  321    HA   CYS  48           HA       CYS  48   8.290  -7.334  -4.779
  322   1HB   CYS  48          1HB       CYS  48   5.302  -6.889  -5.075
  323   2HB   CYS  48          2HB       CYS  48   6.171  -8.242  -5.785
  324    H    ASP  49           H        ASP  49   5.851  -5.308  -6.551
  325    HA   ASP  49           HA       ASP  49   7.036  -5.657  -9.044
  326   1HB   ASP  49          1HB       ASP  49   4.716  -4.947  -8.747
  327   2HB   ASP  49          2HB       ASP  49   5.254  -3.402  -8.077
  328    H    GLU  50           H        GLU  50   8.617  -4.629 -10.161
  329    HA   GLU  50           HA       GLU  50   9.732  -2.101  -9.448
  330   1HB   GLU  50          1HB       GLU  50  11.993  -2.822  -9.061
  331   2HB   GLU  50          2HB       GLU  50  10.978  -3.624  -7.868
  332   1HG   GLU  50          1HG       GLU  50  11.049  -5.720  -9.199
  333   2HG   GLU  50          2HG       GLU  50  12.017  -4.924 -10.437
  334    H    HIS  51           H        HIS  51  11.282  -1.497 -11.049
  335    HA   HIS  51           HA       HIS  51  11.784  -3.039 -13.436
  336   1HB   HIS  51          1HB       HIS  51   9.300  -2.125 -13.652
  337   2HB   HIS  51          2HB       HIS  51  10.075  -0.585 -13.988
  338    HD1  HIS  51           HD1      HIS  51   8.981  -3.696 -15.621
  339    HD2  HIS  51           HD2      HIS  51  11.923  -0.750 -16.240
  340    HE1  HIS  51           HE1      HIS  51   9.702  -3.872 -18.083
  341    H    ASP  52           H        ASP  52  11.632  -0.031 -11.690
  342    HA   ASP  52           HA       ASP  52  13.621   1.584 -12.749
  343   1HB   ASP  52          1HB       ASP  52  13.519   2.445 -10.394
  344   2HB   ASP  52          2HB       ASP  52  11.945   2.318 -11.177
  345    H    HIS  53           H        HIS  53  15.792   1.798 -12.135
  346    HA   HIS  53           HA       HIS  53  17.135   0.049 -10.272
  347   1HB   HIS  53          1HB       HIS  53  17.033  -0.689 -13.110
  348   2HB   HIS  53          2HB       HIS  53  18.687  -0.379 -12.631
  349    HD1  HIS  53           HD1      HIS  53  15.817  -2.189 -10.770
  350    HD2  HIS  53           HD2      HIS  53  19.848  -2.581 -11.935
  351    HE1  HIS  53           HE1      HIS  53  16.634  -4.452  -9.848
  352    H    ASP  54           H        ASP  54  16.713   2.691 -10.075
  353    HA   ASP  54           HA       ASP  54  18.996   4.243 -11.062
  354   1HB   ASP  54          1HB       ASP  54  16.642   5.136 -10.511
  355   2HB   ASP  54          2HB       ASP  54  17.073   4.941  -8.807
  356    H    PHE  55           H        PHE  55  20.428   5.368  -9.235
  357    HA   PHE  55           HA       PHE  55  21.046   3.582  -7.001
  358   1HB   PHE  55          2HB       PHE  55  23.261   3.010  -7.708
  359   2HB   PHE  55          1HB       PHE  55  22.128   2.436  -8.914
  360    HD1  PHE  55           HD1      PHE  55  22.085   3.434 -11.184
  361    HD2  PHE  55           HD2      PHE  55  24.808   4.865  -8.171
  362    HE1  PHE  55           HE1      PHE  55  23.430   4.569 -12.939
  363    HE2  PHE  55           HE2      PHE  55  26.162   5.991  -9.925
  364    HZ   PHE  55           HZ       PHE  55  25.475   5.844 -12.314
  Start of MODEL   17
    1   1H    PHE   1          1H        PHE   1 -14.980   6.313   5.618
    2   2H    PHE   1          2H        PHE   1 -15.891   5.163   4.869
    3   3H    PHE   1          3H        PHE   1 -15.056   4.780   6.239
    4    HA   PHE   1           HA       PHE   1 -12.939   5.060   5.084
    5   1HB   PHE   1          2HB       PHE   1 -13.295   3.328   3.337
    6   2HB   PHE   1          1HB       PHE   1 -13.524   2.915   5.028
    7    HD1  PHE   1           HD1      PHE   1 -15.089   3.164   1.716
    8    HD2  PHE   1           HD2      PHE   1 -15.844   2.379   5.896
    9    HE1  PHE   1           HE1      PHE   1 -17.325   2.277   1.150
   10    HE2  PHE   1           HE2      PHE   1 -18.086   1.502   5.320
   11    HZ   PHE   1           HZ       PHE   1 -18.836   1.449   2.950
   12    H    GLN   2           H        GLN   2 -12.789   7.220   4.532
   13    HA   GLN   2           HA       GLN   2 -11.464   6.764   2.278
   14   1HB   GLN   2          1HB       GLN   2 -13.992   7.950   1.598
   15   2HB   GLN   2          2HB       GLN   2 -12.795   9.236   1.508
   16   1HG   GLN   2          1HG       GLN   2 -12.791   6.570   0.045
   17   2HG   GLN   2          2HG       GLN   2 -13.005   8.169  -0.666
   18   1HE2  GLN   2          1HE2      GLN   2 -10.798   5.742  -0.548
   19   2HE2  GLN   2          2HE2      GLN   2  -9.323   6.718  -0.672
   20    H    GLY   3           H        GLY   3 -10.034   8.671   1.970
   21   1HA   GLY   3          1HA       GLY   3  -8.704  10.409   2.652
   22   2HA   GLY   3          2HA       GLY   3 -10.042  10.953   3.674
   23    H    ASN   4           H        ASN   4 -10.345   9.386   5.640
   24    HA   ASN   4           HA       ASN   4  -8.152   9.962   7.286
   25   1HB   ASN   4          1HB       ASN   4 -10.784   9.452   7.823
   26   2HB   ASN   4          2HB       ASN   4 -10.065   7.959   8.414
   27   1HD2  ASN   4          1HD2      ASN   4  -7.518   8.903   9.317
   28   2HD2  ASN   4          2HD2      ASN   4  -7.652  10.190  10.471
   29    HA   PRO   5           HA       PRO   5  -6.973   5.174   7.373
   30   1HB   PRO   5          1HB       PRO   5  -7.268   4.172   4.792
   31   2HB   PRO   5          2HB       PRO   5  -8.252   3.742   6.215
   32   1HG   PRO   5          1HG       PRO   5  -8.762   5.682   3.963
   33   2HG   PRO   5          2HG       PRO   5  -9.896   4.521   4.725
   34   1HD   PRO   5          1HD       PRO   5  -9.983   7.099   5.433
   35   2HD   PRO   5          2HD       PRO   5 -10.080   5.859   6.701
   36    H    CYS   6           H        CYS   6  -6.654   7.698   4.875
   37    HA   CYS   6           HA       CYS   6  -3.789   7.027   4.518
   38   1HB   CYS   6          1HB       CYS   6  -5.877   8.383   2.801
   39   2HB   CYS   6          2HB       CYS   6  -4.177   8.715   2.562
   40    H    GLU   7           H        GLU   7  -5.184   8.602   6.858
   41    HA   GLU   7           HA       GLU   7  -4.124  11.278   6.684
   42   1HB   GLU   7          1HB       GLU   7  -5.966  10.611   8.169
   43   2HB   GLU   7          2HB       GLU   7  -4.861   9.598   9.116
   44   1HG   GLU   7          1HG       GLU   7  -3.623  11.574   9.843
   45   2HG   GLU   7          2HG       GLU   7  -4.494  12.587   8.689
   46    H    CYS   8           H        CYS   8  -2.082  10.608   5.654
   47    HA   CYS   8           HA       CYS   8   0.162  10.107   7.470
   48   1HB   CYS   8          1HB       CYS   8  -1.244   8.065   5.901
   49   2HB   CYS   8          2HB       CYS   8   0.395   8.243   5.309
   50    HA   PRO   9           HA       PRO   9   2.159  12.340   4.166
   51   1HB   PRO   9          1HB       PRO   9   4.747  11.510   4.196
   52   2HB   PRO   9          2HB       PRO   9   4.006  12.329   5.606
   53   1HG   PRO   9          1HG       PRO   9   4.406   9.352   5.178
   54   2HG   PRO   9          2HG       PRO   9   4.774  10.322   6.639
   55   1HD   PRO   9          1HD       PRO   9   2.457   8.861   6.241
   56   2HD   PRO   9          2HD       PRO   9   2.527  10.289   7.303
   57    H    ARG  10           H        ARG  10   2.938  12.220   1.981
   58    HA   ARG  10           HA       ARG  10   2.486   9.694   0.528
   59   1HB   ARG  10          1HB       ARG  10   3.413  12.460  -0.381
   60   2HB   ARG  10          2HB       ARG  10   3.117  11.087  -1.455
   61   1HG   ARG  10          1HG       ARG  10   0.737  11.050  -0.846
   62   2HG   ARG  10          2HG       ARG  10   0.989  12.353   0.323
   63   1HD   ARG  10          1HD       ARG  10   0.044  13.289  -1.698
   64   2HD   ARG  10          2HD       ARG  10   1.701  13.875  -1.478
   65    HE   ARG  10           HE       ARG  10   1.499  11.502  -3.146
   66   1HH1  ARG  10          2HH2      ARG  10   1.283  15.020  -3.224
   67   2HH1  ARG  10          1HH2      ARG  10   1.707  15.180  -4.894
   68   1HH2  ARG  10          2HH1      ARG  10   2.058  11.675  -5.381
   69   2HH2  ARG  10          1HH1      ARG  10   2.143  13.218  -6.145
   70    H    ALA  11           H        ALA  11   4.428   9.322   2.455
   71    HA   ALA  11           HA       ALA  11   7.053   9.755   1.604
   72   1HB   ALA  11          1HB       ALA  11   7.617   8.144   3.401
   73   2HB   ALA  11          2HB       ALA  11   6.473   9.373   3.959
   74   3HB   ALA  11          3HB       ALA  11   5.899   7.728   3.569
   75    H    LEU  12           H        LEU  12   8.458   8.481   0.405
   76    HA   LEU  12           HA       LEU  12   7.428   6.311  -1.200
   77   1HB   LEU  12          1HB       LEU  12   9.951   7.987  -0.896
   78   2HB   LEU  12          2HB       LEU  12   9.998   6.558  -1.883
   79    HG   LEU  12           HG       LEU  12   9.633   8.672  -3.078
   80   1HD1  LEU  12          1HD1      LEU  12   7.469   6.560  -3.494
   81   2HD1  LEU  12          2HD1      LEU  12   8.051   7.716  -4.707
   82   3HD1  LEU  12          3HD1      LEU  12   9.142   6.467  -4.094
   83   1HD2  LEU  12          1HD2      LEU  12   6.767   8.600  -2.093
   84   2HD2  LEU  12          2HD2      LEU  12   8.000   9.795  -1.624
   85   3HD2  LEU  12          3HD2      LEU  12   7.457   9.694  -3.301
   86    H    HIS  13           H        HIS  13   7.213   5.446   1.392
   87    HA   HIS  13           HA       HIS  13   9.635   3.848   2.095
   88   1HB   HIS  13          1HB       HIS  13   7.065   4.296   3.649
   89   2HB   HIS  13          2HB       HIS  13   8.468   3.391   4.204
   90    HD1  HIS  13           HD1      HIS  13   7.630   5.743   5.986
   91    HD2  HIS  13           HD2      HIS  13  10.353   6.031   2.781
   92    HE1  HIS  13           HE1      HIS  13   9.074   7.809   6.419
   93    H    ARG  14           H        ARG  14   8.467   3.120  -0.242
   94    HA   ARG  14           HA       ARG  14   6.343   1.661  -0.522
   95   1HB   ARG  14          1HB       ARG  14   8.982   0.944  -1.826
   96   2HB   ARG  14          2HB       ARG  14   7.438   0.370  -2.395
   97   1HG   ARG  14          1HG       ARG  14   6.905   2.279  -3.460
   98   2HG   ARG  14          2HG       ARG  14   7.428   3.315  -2.142
   99   1HD   ARG  14          1HD       ARG  14   9.330   1.944  -4.085
  100   2HD   ARG  14          2HD       ARG  14   8.800   3.642  -4.183
  101    HE   ARG  14           HE       ARG  14   9.706   3.106  -1.565
  102   1HH1  ARG  14          2HH2      ARG  14  11.250   3.120  -4.736
  103   2HH1  ARG  14          1HH2      ARG  14  12.715   3.880  -4.208
  104   1HH2  ARG  14          2HH1      ARG  14  11.411   4.416  -0.931
  105   2HH2  ARG  14          1HH1      ARG  14  12.889   4.521  -1.867
  106    H    VAL  15           H        VAL  15   5.516  -0.370  -0.603
  107    HA   VAL  15           HA       VAL  15   6.948  -2.611   0.669
  108    HB   VAL  15           HB       VAL  15   5.179  -2.952   2.246
  109   1HG1  VAL  15          1HG1      VAL  15   5.703  -1.237   3.811
  110   2HG1  VAL  15          2HG1      VAL  15   7.139  -1.422   2.775
  111   3HG1  VAL  15          3HG1      VAL  15   6.012  -0.084   2.500
  112   1HG2  VAL  15          1HG2      VAL  15   3.951  -0.299   1.347
  113   2HG2  VAL  15          2HG2      VAL  15   3.268  -1.903   1.015
  114   3HG2  VAL  15          3HG2      VAL  15   3.402  -1.373   2.668
  115    H    CYS  16           H        CYS  16   5.279  -4.618   0.702
  116    HA   CYS  16           HA       CYS  16   3.745  -4.510  -1.858
  117   1HB   CYS  16          1HB       CYS  16   5.705  -5.778  -2.049
  118   2HB   CYS  16          2HB       CYS  16   5.433  -6.671  -0.584
  119    H    GLY  17           H        GLY  17   1.696  -5.175  -1.907
  120   1HA   GLY  17          1HA       GLY  17   0.505  -6.379   0.530
  121   2HA   GLY  17          2HA       GLY  17  -0.395  -5.609  -0.747
  122    H    SER  18           H        SER  18  -0.679  -8.182   0.254
  123    HA   SER  18           HA       SER  18   0.299 -10.296  -0.780
  124   1HB   SER  18          1HB       SER  18  -1.665 -11.460  -0.043
  125   2HB   SER  18          2HB       SER  18  -1.466 -10.026   0.924
  126    HG   SER  18           HG       SER  18  -3.667 -10.288   0.181
  127    H    ASP  19           H        ASP  19  -1.468  -8.368  -2.972
  128    HA   ASP  19           HA       ASP  19  -1.817 -10.551  -4.927
  129   1HB   ASP  19          1HB       ASP  19  -3.509  -9.025  -5.094
  130   2HB   ASP  19          2HB       ASP  19  -2.505  -7.652  -4.728
  131    H    GLY  20           H        GLY  20   0.875  -8.673  -3.824
  132   1HA   GLY  20          1HA       GLY  20   3.066  -8.983  -4.656
  133   2HA   GLY  20          2HA       GLY  20   2.430  -9.285  -6.278
  134    H    ASN  21           H        ASN  21   0.533  -6.851  -5.023
  135    HA   ASN  21           HA       ASN  21   1.591  -4.897  -6.712
  136   1HB   ASN  21          1HB       ASN  21  -0.312  -3.542  -5.643
  137   2HB   ASN  21          2HB       ASN  21  -0.689  -4.885  -6.715
  138   1HD2  ASN  21          1HD2      ASN  21  -2.785  -4.435  -5.600
  139   2HD2  ASN  21          2HD2      ASN  21  -3.120  -5.567  -4.315
  140    H    THR  22           H        THR  22   3.344  -3.638  -6.120
  141    HA   THR  22           HA       THR  22   3.950  -3.125  -3.446
  142    HB   THR  22           HB       THR  22   4.910  -1.685  -5.931
  143    HG1  THR  22           HG1      THR  22   5.626  -3.697  -6.130
  144   1HG2  THR  22          1HG2      THR  22   6.183  -1.872  -3.161
  145   2HG2  THR  22          2HG2      THR  22   6.874  -1.073  -4.573
  146   3HG2  THR  22          3HG2      THR  22   5.419  -0.409  -3.804
  147    H    TYR  23           H        TYR  23   3.594  -1.184  -2.183
  148    HA   TYR  23           HA       TYR  23   1.647   0.818  -3.205
  149   1HB   TYR  23          1HB       TYR  23   1.931  -0.434  -0.433
  150   2HB   TYR  23          2HB       TYR  23   1.009   1.011  -0.767
  151    HD1  TYR  23           HD1      TYR  23  -1.277   0.869  -1.555
  152    HD2  TYR  23           HD2      TYR  23   1.258  -2.627  -1.574
  153    HE1  TYR  23           HE1      TYR  23  -3.212  -0.539  -2.211
  154    HE2  TYR  23           HE2      TYR  23  -0.646  -4.010  -2.257
  155    HH   TYR  23           HH       TYR  23  -2.811  -3.795  -3.380
  156    H    SER  24           H        SER  24   2.208   2.995  -2.541
  157    HA   SER  24           HA       SER  24   4.870   3.594  -2.605
  158   1HB   SER  24          1HB       SER  24   2.762   5.397  -1.384
  159   2HB   SER  24          2HB       SER  24   4.175   5.865  -2.343
  160    HG   SER  24           HG       SER  24   3.171   5.042  -4.164
  161    H    ASN  25           H        ASN  25   2.971   2.916   0.294
  162    HA   ASN  25           HA       ASN  25   5.231   2.648   1.952
  163   1HB   ASN  25          1HB       ASN  25   4.452   4.347   3.709
  164   2HB   ASN  25          2HB       ASN  25   5.204   5.034   2.297
  165   1HD2  ASN  25          1HD2      ASN  25   4.109   6.721   1.351
  166   2HD2  ASN  25          2HD2      ASN  25   2.478   7.187   1.874
  167    HA   PRO  26           HA       PRO  26   2.167  -0.040   3.591
  168   1HB   PRO  26          1HB       PRO  26   2.664  -0.349   6.262
  169   2HB   PRO  26          2HB       PRO  26   3.748  -0.973   4.987
  170   1HG   PRO  26          1HG       PRO  26   4.032   1.559   6.596
  171   2HG   PRO  26          2HG       PRO  26   5.294   0.360   6.166
  172   1HD   PRO  26          1HD       PRO  26   4.905   2.714   4.830
  173   2HD   PRO  26          2HD       PRO  26   5.543   1.267   4.033
  174    H    CYS  27           H        CYS  27   2.263   3.187   4.828
  175    HA   CYS  27           HA       CYS  27  -0.245   3.069   6.220
  176   1HB   CYS  27          1HB       CYS  27   1.705   4.912   6.159
  177   2HB   CYS  27          2HB       CYS  27   0.677   5.614   4.925
  178    H    MET  28           H        MET  28   0.702   3.794   2.823
  179    HA   MET  28           HA       MET  28  -1.946   4.265   1.855
  180   1HB   MET  28          1HB       MET  28   0.549   3.275   0.416
  181   2HB   MET  28          2HB       MET  28  -0.958   3.635  -0.388
  182   1HG   MET  28          1HG       MET  28   0.141   5.752   1.439
  183   2HG   MET  28          2HG       MET  28   1.027   5.433  -0.043
  184   1HE   MET  28          1HE       MET  28  -1.338   6.398  -2.886
  185   2HE   MET  28          2HE       MET  28   0.249   5.767  -2.386
  186   3HE   MET  28          3HE       MET  28  -1.205   4.757  -2.229
  187    H    LEU  29           H        LEU  29  -0.079   1.219   2.113
  188    HA   LEU  29           HA       LEU  29  -2.055  -0.534   0.978
  189   1HB   LEU  29          1HB       LEU  29   0.079  -1.282   1.250
  190   2HB   LEU  29          2HB       LEU  29   0.146  -0.917   3.007
  191    HG   LEU  29           HG       LEU  29  -1.184  -3.111   1.658
  192   1HD1  LEU  29          1HD1      LEU  29   0.621  -4.542   2.490
  193   2HD1  LEU  29          2HD1      LEU  29   1.239  -3.255   1.466
  194   3HD1  LEU  29          3HD1      LEU  29   1.389  -3.123   3.234
  195   1HD2  LEU  29          1HD2      LEU  29  -1.192  -4.210   3.988
  196   2HD2  LEU  29          2HD2      LEU  29  -0.766  -2.628   4.643
  197   3HD2  LEU  29          3HD2      LEU  29  -2.327  -2.882   3.809
  198    H    THR  30           H        THR  30  -1.281   0.006   4.425
  199    HA   THR  30           HA       THR  30  -3.621  -1.331   5.255
  200    HB   THR  30           HB       THR  30  -1.533  -0.483   6.601
  201    HG1  THR  30           HG1      THR  30  -4.137  -0.858   7.667
  202   1HG2  THR  30          1HG2      THR  30  -2.212   1.884   6.453
  203   2HG2  THR  30          2HG2      THR  30  -3.630   1.514   7.458
  204   3HG2  THR  30          3HG2      THR  30  -1.981   1.288   8.113
  205    H    CYS  31           H        CYS  31  -3.220   2.195   4.500
  206    HA   CYS  31           HA       CYS  31  -5.590   3.092   5.204
  207   1HB   CYS  31          1HB       CYS  31  -4.050   4.644   4.163
  208   2HB   CYS  31          2HB       CYS  31  -3.917   3.662   2.737
  209    H    ALA  32           H        ALA  32  -4.862   1.865   1.933
  210    HA   ALA  32           HA       ALA  32  -7.384   1.560   0.805
  211   1HB   ALA  32          1HB       ALA  32  -6.372  -0.185  -0.538
  212   2HB   ALA  32          2HB       ALA  32  -5.282   1.228  -0.352
  213   3HB   ALA  32          3HB       ALA  32  -4.983  -0.262   0.571
  214    H    LYS  33           H        LYS  33  -5.651  -0.696   2.830
  215    HA   LYS  33           HA       LYS  33  -7.392  -2.923   2.769
  216   1HB   LYS  33          1HB       LYS  33  -5.011  -2.796   3.660
  217   2HB   LYS  33          2HB       LYS  33  -5.685  -2.109   5.131
  218   1HG   LYS  33          1HG       LYS  33  -7.089  -4.076   5.468
  219   2HG   LYS  33          2HG       LYS  33  -6.478  -4.789   3.961
  220   1HD   LYS  33          1HD       LYS  33  -4.314  -5.057   4.743
  221   2HD   LYS  33          2HD       LYS  33  -4.534  -3.978   6.051
  222   1HE   LYS  33          1HE       LYS  33  -6.184  -6.490   5.745
  223   2HE   LYS  33          2HE       LYS  33  -4.602  -6.534   6.521
  224   1HZ   LYS  33          1HZ       LYS  33  -6.939  -4.956   7.421
  225   2HZ   LYS  33          2HZ       LYS  33  -6.369  -6.311   8.152
  226   3HZ   LYS  33          3HZ       LYS  33  -5.468  -4.924   8.158
  227    H    HIS  34           H        HIS  34  -7.108  -0.507   5.336
  228    HA   HIS  34           HA       HIS  34  -9.496  -1.188   6.755
  229   1HB   HIS  34          1HB       HIS  34  -7.742   1.305   6.566
  230   2HB   HIS  34          2HB       HIS  34  -9.062   1.130   7.681
  231    HD1  HIS  34           HD1      HIS  34  -6.046   1.489   8.698
  232    HD2  HIS  34           HD2      HIS  34  -8.015  -2.185   8.127
  233    HE1  HIS  34           HE1      HIS  34  -4.781  -0.253  10.097
  234    H    GLU  35           H        GLU  35  -8.808   0.843   4.011
  235    HA   GLU  35           HA       GLU  35 -11.333   2.319   4.203
  236   1HB   GLU  35          1HB       GLU  35  -9.198   3.030   2.988
  237   2HB   GLU  35          2HB       GLU  35  -9.733   2.052   1.641
  238   1HG   GLU  35          1HG       GLU  35 -11.438   4.275   2.809
  239   2HG   GLU  35          2HG       GLU  35 -10.112   4.605   1.735
  240    H    GLY  36           H        GLY  36 -10.315  -0.183   1.816
  241   1HA   GLY  36          1HA       GLY  36 -12.985  -1.437   1.900
  242   2HA   GLY  36          2HA       GLY  36 -12.573  -0.560   0.425
  243    H    ASN  37           H        ASN  37  -9.945  -2.269   2.129
  244    HA   ASN  37           HA       ASN  37 -10.148  -4.492   0.125
  245   1HB   ASN  37          1HB       ASN  37  -8.286  -2.594  -0.345
  246   2HB   ASN  37          2HB       ASN  37  -7.422  -3.409   0.860
  247   1HD2  ASN  37          1HD2      ASN  37  -6.509  -3.303  -1.781
  248   2HD2  ASN  37          2HD2      ASN  37  -6.489  -4.972  -2.318
  249    HA   PRO  38           HA       PRO  38  -9.628  -5.689   4.634
  250   1HB   PRO  38          1HB       PRO  38 -11.558  -7.671   4.798
  251   2HB   PRO  38          2HB       PRO  38 -11.861  -5.931   5.089
  252   1HG   PRO  38          1HG       PRO  38 -12.305  -7.499   2.528
  253   2HG   PRO  38          2HG       PRO  38 -13.433  -6.367   3.343
  254   1HD   PRO  38          1HD       PRO  38 -11.901  -5.564   1.252
  255   2HD   PRO  38          2HD       PRO  38 -12.169  -4.479   2.652
  256    H    ASP  39           H        ASP  39  -9.515  -7.344   1.635
  257    HA   ASP  39           HA       ASP  39  -8.347  -9.862   2.470
  258   1HB   ASP  39          1HB       ASP  39  -9.691  -8.744   0.248
  259   2HB   ASP  39          2HB       ASP  39  -8.073  -8.974  -0.343
  260    H    LEU  40           H        LEU  40  -7.136  -6.659   1.883
  261    HA   LEU  40           HA       LEU  40  -4.493  -7.432   0.822
  262   1HB   LEU  40          1HB       LEU  40  -5.271  -5.306   0.086
  263   2HB   LEU  40          2HB       LEU  40  -5.934  -4.914   1.678
  264    HG   LEU  40           HG       LEU  40  -3.928  -4.505   2.599
  265   1HD1  LEU  40          1HD1      LEU  40  -1.907  -5.067   1.902
  266   2HD1  LEU  40          2HD1      LEU  40  -2.686  -5.973   0.596
  267   3HD1  LEU  40          3HD1      LEU  40  -2.161  -4.331   0.274
  268   1HD2  LEU  40          1HD2      LEU  40  -4.113  -3.027  -0.072
  269   2HD2  LEU  40          2HD2      LEU  40  -4.964  -2.598   1.404
  270   3HD2  LEU  40          3HD2      LEU  40  -3.200  -2.445   1.312
  271    H    VAL  41           H        VAL  41  -2.640  -7.396   2.109
  272    HA   VAL  41           HA       VAL  41  -2.827  -6.952   4.965
  273    HB   VAL  41           HB       VAL  41  -1.802  -9.164   5.397
  274   1HG1  VAL  41          1HG1      VAL  41  -4.485  -9.564   4.053
  275   2HG1  VAL  41          2HG1      VAL  41  -3.775 -10.491   5.378
  276   3HG1  VAL  41          3HG1      VAL  41  -4.271  -8.803   5.657
  277   1HG2  VAL  41          1HG2      VAL  41  -1.913 -10.986   3.804
  278   2HG2  VAL  41          2HG2      VAL  41  -2.688  -9.944   2.604
  279   3HG2  VAL  41          3HG2      VAL  41  -0.990  -9.661   3.101
  280    H    GLN  42           H        GLN  42  -0.647  -6.912   5.895
  281    HA   GLN  42           HA       GLN  42   1.429  -5.988   4.085
  282   1HB   GLN  42          1HB       GLN  42   1.051  -5.112   6.443
  283   2HB   GLN  42          2HB       GLN  42   1.591  -6.669   7.054
  284   1HG   GLN  42          1HG       GLN  42   3.587  -5.461   7.090
  285   2HG   GLN  42          2HG       GLN  42   3.733  -6.231   5.518
  286   1HE2  GLN  42          1HE2      GLN  42   4.204  -4.772   3.749
  287   2HE2  GLN  42          2HE2      GLN  42   4.007  -3.063   4.004
  288    H    VAL  43           H        VAL  43   1.433  -8.009   2.739
  289    HA   VAL  43           HA       VAL  43   2.332 -10.454   3.728
  290    HB   VAL  43           HB       VAL  43   3.397 -10.722   1.375
  291   1HG1  VAL  43          1HG1      VAL  43   1.295 -11.453   0.567
  292   2HG1  VAL  43          2HG1      VAL  43   1.265 -11.710   2.301
  293   3HG1  VAL  43          3HG1      VAL  43   0.430 -10.298   1.630
  294   1HG2  VAL  43          1HG2      VAL  43   1.608  -8.296   0.943
  295   2HG2  VAL  43          2HG2      VAL  43   3.365  -8.343   0.707
  296   3HG2  VAL  43          3HG2      VAL  43   2.321  -9.316  -0.333
  297    H    HIS  44           H        HIS  44   4.135  -7.520   2.681
  298    HA   HIS  44           HA       HIS  44   6.275  -8.133   4.531
  299   1HB   HIS  44          1HB       HIS  44   6.999  -9.389   2.532
  300   2HB   HIS  44          2HB       HIS  44   6.791  -7.942   1.536
  301    HD1  HIS  44           HD1      HIS  44   8.770  -8.351   4.898
  302    HD2  HIS  44           HD2      HIS  44   9.208  -7.294   0.840
  303    HE1  HIS  44           HE1      HIS  44  11.146  -7.466   4.620
  304    H    GLU  45           H        GLU  45   7.203  -6.168   5.220
  305    HA   GLU  45           HA       GLU  45   6.177  -3.670   4.077
  306   1HB   GLU  45          1HB       GLU  45   6.905  -2.612   6.083
  307   2HB   GLU  45          2HB       GLU  45   5.887  -4.007   6.440
  308   1HG   GLU  45          1HG       GLU  45   7.997  -5.362   6.835
  309   2HG   GLU  45          2HG       GLU  45   8.879  -3.848   6.619
  310    H    GLY  46           H        GLY  46   7.772  -5.070   2.367
  311   1HA   GLY  46          1HA       GLY  46   9.543  -2.911   1.673
  312   2HA   GLY  46          2HA       GLY  46  10.312  -4.522   1.732
  313    HA   PRO  47           HA       PRO  47   7.345  -3.681  -1.910
  314   1HB   PRO  47          1HB       PRO  47   8.858  -2.848  -3.989
  315   2HB   PRO  47          2HB       PRO  47   8.412  -1.764  -2.631
  316   1HG   PRO  47          1HG       PRO  47  11.007  -3.299  -2.949
  317   2HG   PRO  47          2HG       PRO  47  10.792  -1.544  -2.628
  318   1HD   PRO  47          1HD       PRO  47  11.195  -3.329  -0.608
  319   2HD   PRO  47          2HD       PRO  47  10.097  -1.939  -0.408
  320    H    CYS  48           H        CYS  48   6.776  -5.036  -3.591
  321    HA   CYS  48           HA       CYS  48   8.271  -7.599  -3.861
  322   1HB   CYS  48          1HB       CYS  48   5.519  -6.611  -4.652
  323   2HB   CYS  48          2HB       CYS  48   6.182  -8.022  -5.423
  324    H    ASP  49           H        ASP  49   6.478  -5.469  -6.118
  325    HA   ASP  49           HA       ASP  49   8.536  -4.996  -7.916
  326   1HB   ASP  49          1HB       ASP  49   8.175  -7.471  -8.305
  327   2HB   ASP  49          2HB       ASP  49   6.476  -7.136  -8.629
  328    H    GLU  50           H        GLU  50   7.490  -3.979  -9.917
  329    HA   GLU  50           HA       GLU  50   4.825  -3.690 -10.350
  330   1HB   GLU  50          1HB       GLU  50   4.775  -2.102  -8.383
  331   2HB   GLU  50          2HB       GLU  50   5.961  -1.083  -9.193
  332   1HG   GLU  50          1HG       GLU  50   3.604  -0.270  -9.385
  333   2HG   GLU  50          2HG       GLU  50   4.382  -0.548 -10.938
  334    H    HIS  51           H        HIS  51   4.526  -2.445 -12.417
  335    HA   HIS  51           HA       HIS  51   7.089  -1.650 -13.694
  336   1HB   HIS  51          1HB       HIS  51   6.397  -4.207 -13.980
  337   2HB   HIS  51          2HB       HIS  51   5.409  -3.554 -15.288
  338    HD1  HIS  51           HD1      HIS  51   9.056  -3.721 -14.084
  339    HD2  HIS  51           HD2      HIS  51   6.781  -2.672 -17.468
  340    HE1  HIS  51           HE1      HIS  51  10.724  -3.304 -16.005
  341    H    ASP  52           H        ASP  52   4.848  -0.008 -12.868
  342    HA   ASP  52           HA       ASP  52   4.786   1.742 -15.013
  343   1HB   ASP  52          1HB       ASP  52   2.829  -0.093 -15.548
  344   2HB   ASP  52          2HB       ASP  52   1.951   0.889 -14.391
  345    H    HIS  53           H        HIS  53   2.806   3.413 -14.191
  346    HA   HIS  53           HA       HIS  53   2.343   3.171 -11.334
  347   1HB   HIS  53          1HB       HIS  53   4.440   4.547 -11.429
  348   2HB   HIS  53          2HB       HIS  53   3.539   5.803 -12.273
  349    HD1  HIS  53           HD1      HIS  53   0.827   5.462 -10.259
  350    HD2  HIS  53           HD2      HIS  53   4.911   5.939  -9.236
  351    HE1  HIS  53           HE1      HIS  53   0.895   6.384  -7.910
  352    H    ASP  54           H        ASP  54   0.361   2.547 -12.501
  353    HA   ASP  54           HA       ASP  54  -1.433   4.374 -13.624
  354   1HB   ASP  54          1HB       ASP  54  -1.856   2.097 -11.643
  355   2HB   ASP  54          2HB       ASP  54  -3.151   2.894 -12.547
  356    H    PHE  55           H        PHE  55  -3.436   5.353 -12.400
  357    HA   PHE  55           HA       PHE  55  -3.118   6.246  -9.724
  358   1HB   PHE  55          2HB       PHE  55  -3.048   8.669 -10.396
  359   2HB   PHE  55          1HB       PHE  55  -1.538   7.814 -10.646
  360    HD1  PHE  55           HD1      PHE  55  -0.553   7.619 -12.835
  361    HD2  PHE  55           HD2      PHE  55  -4.555   9.154 -12.408
  362    HE1  PHE  55           HE1      PHE  55  -0.528   8.324 -15.206
  363    HE2  PHE  55           HE2      PHE  55  -4.528   9.872 -14.786
  364    HZ   PHE  55           HZ       PHE  55  -2.513   9.462 -16.192
  Start of MODEL   18
    1   1H    PHE   1          1H        PHE   1 -15.888   5.724   4.553
    2   2H    PHE   1          2H        PHE   1 -15.698   4.950   5.996
    3   3H    PHE   1          3H        PHE   1 -15.209   6.528   5.820
    4    HA   PHE   1           HA       PHE   1 -13.239   5.094   5.708
    5   1HB   PHE   1          2HB       PHE   1 -13.829   3.752   3.246
    6   2HB   PHE   1          1HB       PHE   1 -13.251   3.206   4.790
    7    HD1  PHE   1           HD1      PHE   1 -14.764   2.347   6.575
    8    HD2  PHE   1           HD2      PHE   1 -16.190   3.410   2.639
    9    HE1  PHE   1           HE1      PHE   1 -16.906   1.186   7.031
   10    HE2  PHE   1           HE2      PHE   1 -18.326   2.233   3.103
   11    HZ   PHE   1           HZ       PHE   1 -18.690   1.130   5.302
   12    H    GLN   2           H        GLN   2 -12.111   6.895   5.202
   13    HA   GLN   2           HA       GLN   2 -10.938   6.787   2.884
   14   1HB   GLN   2          1HB       GLN   2 -12.841   7.914   1.710
   15   2HB   GLN   2          2HB       GLN   2 -12.545   9.371   2.657
   16   1HG   GLN   2          1HG       GLN   2 -10.271   9.494   1.701
   17   2HG   GLN   2          2HG       GLN   2 -10.487   7.911   0.933
   18   1HE2  GLN   2          1HE2      GLN   2 -12.158   7.690  -0.743
   19   2HE2  GLN   2          2HE2      GLN   2 -12.568   9.116  -1.710
   20    H    GLY   3           H        GLY   3 -11.755   9.872   4.352
   21   1HA   GLY   3          1HA       GLY   3  -9.031  10.520   5.115
   22   2HA   GLY   3          2HA       GLY   3 -10.483  11.502   5.367
   23    H    ASN   4           H        ASN   4  -9.177   8.405   6.418
   24    HA   ASN   4           HA       ASN   4  -8.801   9.161   9.133
   25   1HB   ASN   4          1HB       ASN   4 -11.401   7.911   8.595
   26   2HB   ASN   4          2HB       ASN   4 -10.401   6.835   9.570
   27   1HD2  ASN   4          1HD2      ASN   4 -10.758  10.449   9.493
   28   2HD2  ASN   4          2HD2      ASN   4 -11.056  10.551  11.233
   29    HA   PRO   5           HA       PRO   5  -6.880   4.900   7.937
   30   1HB   PRO   5          1HB       PRO   5  -7.467   4.117   5.310
   31   2HB   PRO   5          2HB       PRO   5  -8.094   3.354   6.801
   32   1HG   PRO   5          1HG       PRO   5  -9.293   5.298   4.891
   33   2HG   PRO   5          2HG       PRO   5 -10.081   3.952   5.762
   34   1HD   PRO   5          1HD       PRO   5 -10.348   6.558   6.607
   35   2HD   PRO   5          2HD       PRO   5 -10.244   5.213   7.769
   36    H    CYS   6           H        CYS   6  -7.634   7.090   5.090
   37    HA   CYS   6           HA       CYS   6  -4.718   7.256   4.571
   38   1HB   CYS   6          1HB       CYS   6  -7.177   7.921   2.990
   39   2HB   CYS   6          2HB       CYS   6  -5.674   8.777   2.664
   40    H    GLU   7           H        GLU   7  -4.180   8.311   6.473
   41    HA   GLU   7           HA       GLU   7  -4.503  11.254   6.280
   42   1HB   GLU   7          1HB       GLU   7  -6.083  10.004   7.940
   43   2HB   GLU   7          2HB       GLU   7  -4.656   9.821   8.957
   44   1HG   GLU   7          1HG       GLU   7  -4.393  12.278   9.032
   45   2HG   GLU   7          2HG       GLU   7  -5.685  12.481   7.845
   46    H    CYS   8           H        CYS   8  -2.402  10.123   5.127
   47    HA   CYS   8           HA       CYS   8  -0.131  10.053   7.037
   48   1HB   CYS   8          1HB       CYS   8  -1.416   7.862   5.588
   49   2HB   CYS   8          2HB       CYS   8   0.253   8.029   5.078
   50    HA   PRO   9           HA       PRO   9   2.027  12.229   3.925
   51   1HB   PRO   9          1HB       PRO   9   4.641  11.617   4.294
   52   2HB   PRO   9          2HB       PRO   9   3.662  12.311   5.623
   53   1HG   PRO   9          1HG       PRO   9   4.297   9.379   5.120
   54   2HG   PRO   9          2HG       PRO   9   4.497  10.306   6.642
   55   1HD   PRO   9          1HD       PRO   9   2.284   8.779   6.074
   56   2HD   PRO   9          2HD       PRO   9   2.210  10.253   7.077
   57    H    ARG  10           H        ARG  10   3.483  12.169   2.025
   58    HA   ARG  10           HA       ARG  10   3.213   9.716   0.399
   59   1HB   ARG  10          1HB       ARG  10   4.327  12.462  -0.319
   60   2HB   ARG  10          2HB       ARG  10   4.081  11.107  -1.430
   61   1HG   ARG  10          1HG       ARG  10   1.614  11.154  -0.823
   62   2HG   ARG  10          2HG       ARG  10   1.912  12.678   0.026
   63   1HD   ARG  10          1HD       ARG  10   2.441  12.122  -2.923
   64   2HD   ARG  10          2HD       ARG  10   1.060  13.024  -2.272
   65    HE   ARG  10           HE       ARG  10   3.258  14.334  -1.260
   66   1HH1  ARG  10          2HH2      ARG  10   2.120  13.575  -4.510
   67   2HH1  ARG  10          1HH2      ARG  10   2.878  14.927  -5.280
   68   1HH2  ARG  10          2HH1      ARG  10   4.289  16.159  -2.250
   69   2HH2  ARG  10          1HH1      ARG  10   4.132  16.432  -3.945
   70    H    ALA  11           H        ALA  11   4.800   9.241   2.609
   71    HA   ALA  11           HA       ALA  11   7.546   9.442   2.124
   72   1HB   ALA  11          1HB       ALA  11   5.883   7.504   3.798
   73   2HB   ALA  11          2HB       ALA  11   7.651   7.658   3.898
   74   3HB   ALA  11          3HB       ALA  11   6.619   9.022   4.358
   75    H    LEU  12           H        LEU  12   8.875   8.129   0.813
   76    HA   LEU  12           HA       LEU  12   7.694   6.343  -1.086
   77   1HB   LEU  12          1HB       LEU  12  10.297   7.763  -0.514
   78   2HB   LEU  12          2HB       LEU  12  10.364   6.439  -1.626
   79    HG   LEU  12           HG       LEU  12  10.127   8.680  -2.607
   80   1HD1  LEU  12          1HD1      LEU  12   7.976   6.658  -3.394
   81   2HD1  LEU  12          2HD1      LEU  12   8.664   7.914  -4.442
   82   3HD1  LEU  12          3HD1      LEU  12   9.685   6.588  -3.874
   83   1HD2  LEU  12          1HD2      LEU  12   7.962   9.728  -2.900
   84   2HD2  LEU  12          2HD2      LEU  12   7.200   8.543  -1.828
   85   3HD2  LEU  12          3HD2      LEU  12   8.409   9.683  -1.192
   86    H    HIS  13           H        HIS  13   7.320   4.991   1.252
   87    HA   HIS  13           HA       HIS  13   9.397   2.850   1.460
   88   1HB   HIS  13          1HB       HIS  13   6.766   3.334   2.901
   89   2HB   HIS  13          2HB       HIS  13   7.622   1.797   2.964
   90    HD1  HIS  13           HD1      HIS  13   8.449   1.690   5.466
   91    HD2  HIS  13           HD2      HIS  13   9.148   5.378   3.447
   92    HE1  HIS  13           HE1      HIS  13   9.801   3.149   7.006
   93    H    ARG  14           H        ARG  14   9.151   2.312  -1.025
   94    HA   ARG  14           HA       ARG  14   6.674   1.366  -1.960
   95   1HB   ARG  14          1HB       ARG  14   9.481   0.459  -2.698
   96   2HB   ARG  14          2HB       ARG  14   8.019   0.206  -3.643
   97   1HG   ARG  14          1HG       ARG  14   8.149   2.209  -4.575
   98   2HG   ARG  14          2HG       ARG  14   8.174   3.055  -3.060
   99   1HD   ARG  14          1HD       ARG  14  10.566   1.767  -4.405
  100   2HD   ARG  14          2HD       ARG  14  10.171   3.495  -4.455
  101    HE   ARG  14           HE       ARG  14  10.255   3.347  -1.879
  102   1HH1  ARG  14          2HH2      ARG  14  12.385   1.103  -3.813
  103   2HH1  ARG  14          1HH2      ARG  14  13.705   1.308  -2.742
  104   1HH2  ARG  14          2HH1      ARG  14  11.930   3.497  -0.507
  105   2HH2  ARG  14          1HH1      ARG  14  13.410   2.593  -0.730
  106    H    VAL  15           H        VAL  15   5.517  -0.302  -1.221
  107    HA   VAL  15           HA       VAL  15   6.893  -2.619   0.054
  108    HB   VAL  15           HB       VAL  15   5.114  -2.623   1.722
  109   1HG1  VAL  15          1HG1      VAL  15   5.928  -0.886   3.155
  110   2HG1  VAL  15          2HG1      VAL  15   7.284  -1.631   2.256
  111   3HG1  VAL  15          3HG1      VAL  15   6.672  -0.049   1.801
  112   1HG2  VAL  15          1HG2      VAL  15   3.768  -0.642   2.184
  113   2HG2  VAL  15          2HG2      VAL  15   4.387   0.184   0.740
  114   3HG2  VAL  15          3HG2      VAL  15   3.370  -1.272   0.603
  115    H    CYS  16           H        CYS  16   5.540  -4.612  -0.013
  116    HA   CYS  16           HA       CYS  16   3.585  -4.419  -2.257
  117   1HB   CYS  16          1HB       CYS  16   5.507  -5.590  -2.749
  118   2HB   CYS  16          2HB       CYS  16   5.429  -6.604  -1.314
  119    H    GLY  17           H        GLY  17   1.565  -5.043  -2.074
  120   1HA   GLY  17          1HA       GLY  17   0.652  -6.253   0.489
  121   2HA   GLY  17          2HA       GLY  17  -0.387  -5.500  -0.718
  122    H    SER  18           H        SER  18  -0.621  -8.068   0.290
  123    HA   SER  18           HA       SER  18   0.109 -10.292  -0.591
  124   1HB   SER  18          1HB       SER  18  -1.858 -11.096   0.148
  125   2HB   SER  18          2HB       SER  18  -2.127  -9.423   0.575
  126    HG   SER  18           HG       SER  18  -3.325  -9.183  -1.557
  127    H    ASP  19           H        ASP  19  -1.800  -8.450  -2.687
  128    HA   ASP  19           HA       ASP  19  -2.276 -10.021  -4.866
  129   1HB   ASP  19          1HB       ASP  19  -2.039  -7.001  -4.479
  130   2HB   ASP  19          2HB       ASP  19  -2.990  -7.764  -5.740
  131    H    GLY  20           H        GLY  20   0.841  -9.040  -3.983
  132   1HA   GLY  20          1HA       GLY  20   2.824  -8.922  -5.143
  133   2HA   GLY  20          2HA       GLY  20   1.973  -9.083  -6.685
  134    H    ASN  21           H        ASN  21   0.244  -6.824  -5.033
  135    HA   ASN  21           HA       ASN  21   1.014  -4.815  -6.812
  136   1HB   ASN  21          1HB       ASN  21  -1.333  -5.547  -5.975
  137   2HB   ASN  21          2HB       ASN  21  -1.020  -4.514  -4.575
  138   1HD2  ASN  21          1HD2      ASN  21  -1.181  -4.618  -8.162
  139   2HD2  ASN  21          2HD2      ASN  21  -1.764  -2.970  -8.297
  140    H    THR  22           H        THR  22   2.981  -3.662  -6.326
  141    HA   THR  22           HA       THR  22   3.620  -2.974  -3.708
  142    HB   THR  22           HB       THR  22   4.558  -1.710  -6.270
  143    HG1  THR  22           HG1      THR  22   4.971  -3.734  -6.400
  144   1HG2  THR  22          1HG2      THR  22   5.239  -0.293  -4.352
  145   2HG2  THR  22          2HG2      THR  22   5.913  -1.725  -3.538
  146   3HG2  THR  22          3HG2      THR  22   6.612  -1.148  -5.061
  147    H    TYR  23           H        TYR  23   3.432  -1.015  -2.527
  148    HA   TYR  23           HA       TYR  23   1.510   1.052  -3.463
  149   1HB   TYR  23          1HB       TYR  23   1.853  -0.244  -0.714
  150   2HB   TYR  23          2HB       TYR  23   1.042   1.279  -0.959
  151    HD1  TYR  23           HD1      TYR  23   0.862  -2.367  -1.741
  152    HD2  TYR  23           HD2      TYR  23  -1.247   1.394  -1.629
  153    HE1  TYR  23           HE1      TYR  23  -1.281  -3.559  -2.112
  154    HE2  TYR  23           HE2      TYR  23  -3.385   0.220  -1.980
  155    HH   TYR  23           HH       TYR  23  -4.330  -1.837  -2.660
  156    H    SER  24           H        SER  24   2.186   3.194  -2.810
  157    HA   SER  24           HA       SER  24   4.890   3.685  -2.729
  158   1HB   SER  24          1HB       SER  24   2.789   5.596  -1.691
  159   2HB   SER  24          2HB       SER  24   4.253   5.963  -2.610
  160    HG   SER  24           HG       SER  24   2.368   6.032  -3.914
  161    H    ASN  25           H        ASN  25   2.831   2.941   0.026
  162    HA   ASN  25           HA       ASN  25   4.936   2.769   1.810
  163   1HB   ASN  25          1HB       ASN  25   4.173   4.390   3.556
  164   2HB   ASN  25          2HB       ASN  25   5.045   5.035   2.208
  165   1HD2  ASN  25          1HD2      ASN  25   4.230   6.838   1.400
  166   2HD2  ASN  25          2HD2      ASN  25   2.672   7.532   1.914
  167    HA   PRO  26           HA       PRO  26   2.111  -0.077   3.392
  168   1HB   PRO  26          1HB       PRO  26   2.792  -0.344   6.037
  169   2HB   PRO  26          2HB       PRO  26   3.777  -0.941   4.663
  170   1HG   PRO  26          1HG       PRO  26   4.172   1.584   6.231
  171   2HG   PRO  26          2HG       PRO  26   5.390   0.384   5.676
  172   1HD   PRO  26          1HD       PRO  26   4.924   2.703   4.387
  173   2HD   PRO  26          2HD       PRO  26   5.372   1.224   3.509
  174    H    CYS  27           H        CYS  27   2.148   3.140   4.725
  175    HA   CYS  27           HA       CYS  27  -0.287   2.939   6.227
  176   1HB   CYS  27          1HB       CYS  27   1.570   4.812   6.181
  177   2HB   CYS  27          2HB       CYS  27   0.577   5.491   4.898
  178    H    MET  28           H        MET  28   0.451   3.891   2.804
  179    HA   MET  28           HA       MET  28  -2.277   4.300   2.063
  180   1HB   MET  28          1HB       MET  28   0.156   3.504   0.435
  181   2HB   MET  28          2HB       MET  28  -1.455   3.661  -0.277
  182   1HG   MET  28          1HG       MET  28  -1.638   5.973   0.501
  183   2HG   MET  28          2HG       MET  28  -0.075   5.860   1.300
  184   1HE   MET  28          1HE       MET  28  -1.025   4.476  -2.368
  185   2HE   MET  28          2HE       MET  28  -2.001   5.938  -2.085
  186   3HE   MET  28          3HE       MET  28  -0.697   5.953  -3.295
  187    H    LEU  29           H        LEU  29  -0.369   1.259   2.068
  188    HA   LEU  29           HA       LEU  29  -2.410  -0.481   1.092
  189   1HB   LEU  29          1HB       LEU  29  -0.346  -1.357   1.197
  190   2HB   LEU  29          2HB       LEU  29   0.036  -0.794   2.801
  191    HG   LEU  29           HG       LEU  29  -1.910  -2.985   2.473
  192   1HD1  LEU  29          1HD1      LEU  29   0.034  -4.580   2.494
  193   2HD1  LEU  29          2HD1      LEU  29   0.034  -3.571   1.052
  194   3HD1  LEU  29          3HD1      LEU  29   1.130  -3.193   2.393
  195   1HD2  LEU  29          1HD2      LEU  29  -0.148  -2.094   4.716
  196   2HD2  LEU  29          2HD2      LEU  29  -1.851  -2.613   4.727
  197   3HD2  LEU  29          3HD2      LEU  29  -0.585  -3.802   4.571
  198    H    THR  30           H        THR  30  -1.430  -0.004   4.454
  199    HA   THR  30           HA       THR  30  -3.693  -1.345   5.466
  200    HB   THR  30           HB       THR  30  -1.463  -0.448   6.590
  201    HG1  THR  30           HG1      THR  30  -2.391  -1.097   8.549
  202   1HG2  THR  30          1HG2      THR  30  -3.563   1.395   7.736
  203   2HG2  THR  30          2HG2      THR  30  -1.847   1.248   8.220
  204   3HG2  THR  30          3HG2      THR  30  -2.269   1.875   6.614
  205    H    CYS  31           H        CYS  31  -3.388   2.114   4.617
  206    HA   CYS  31           HA       CYS  31  -5.731   3.025   5.640
  207   1HB   CYS  31          1HB       CYS  31  -4.501   4.743   4.583
  208   2HB   CYS  31          2HB       CYS  31  -4.158   3.761   3.174
  209    H    ALA  32           H        ALA  32  -5.210   1.919   2.304
  210    HA   ALA  32           HA       ALA  32  -7.773   1.581   1.315
  211   1HB   ALA  32          1HB       ALA  32  -5.381  -0.207   0.891
  212   2HB   ALA  32          2HB       ALA  32  -6.816  -0.061  -0.151
  213   3HB   ALA  32          3HB       ALA  32  -5.710   1.338   0.066
  214    H    LYS  33           H        LYS  33  -5.895  -0.667   3.182
  215    HA   LYS  33           HA       LYS  33  -7.595  -2.929   3.191
  216   1HB   LYS  33          1HB       LYS  33  -5.183  -2.789   3.987
  217   2HB   LYS  33          2HB       LYS  33  -5.816  -2.147   5.509
  218   1HG   LYS  33          1HG       LYS  33  -7.198  -4.128   5.821
  219   2HG   LYS  33          2HG       LYS  33  -6.644  -4.778   4.262
  220   1HD   LYS  33          1HD       LYS  33  -4.482  -5.127   4.922
  221   2HD   LYS  33          2HD       LYS  33  -4.597  -4.139   6.310
  222   1HE   LYS  33          1HE       LYS  33  -6.342  -6.583   5.864
  223   2HE   LYS  33          2HE       LYS  33  -4.765  -6.717   6.633
  224   1HZ   LYS  33          1HZ       LYS  33  -7.055  -5.137   7.642
  225   2HZ   LYS  33          2HZ       LYS  33  -6.573  -6.591   8.234
  226   3HZ   LYS  33          3HZ       LYS  33  -5.598  -5.268   8.406
  227    H    HIS  34           H        HIS  34  -7.308  -0.442   5.756
  228    HA   HIS  34           HA       HIS  34  -9.755  -1.303   7.041
  229   1HB   HIS  34          1HB       HIS  34  -7.562   0.505   7.614
  230   2HB   HIS  34          2HB       HIS  34  -9.065   1.389   7.786
  231    HD1  HIS  34           HD1      HIS  34 -11.004  -0.151   9.290
  232    HD2  HIS  34           HD2      HIS  34  -6.871  -0.795   9.780
  233    HE1  HIS  34           HE1      HIS  34 -10.700  -1.347  11.548
  234    H    GLU  35           H        GLU  35  -9.104   0.799   4.306
  235    HA   GLU  35           HA       GLU  35 -11.494   2.335   4.730
  236   1HB   GLU  35          1HB       GLU  35  -9.295   2.929   3.451
  237   2HB   GLU  35          2HB       GLU  35 -10.104   2.227   2.073
  238   1HG   GLU  35          1HG       GLU  35 -11.506   4.371   3.625
  239   2HG   GLU  35          2HG       GLU  35 -10.076   4.815   2.738
  240    H    GLY  36           H        GLY  36 -10.589  -0.258   2.412
  241   1HA   GLY  36          1HA       GLY  36 -13.274  -1.407   2.486
  242   2HA   GLY  36          2HA       GLY  36 -12.907  -0.558   0.984
  243    H    ASN  37           H        ASN  37 -10.262  -2.307   2.682
  244    HA   ASN  37           HA       ASN  37 -10.514  -4.532   0.689
  245   1HB   ASN  37          1HB       ASN  37  -8.724  -2.575   0.122
  246   2HB   ASN  37          2HB       ASN  37  -7.779  -3.378   1.274
  247   1HD2  ASN  37          1HD2      ASN  37  -7.007  -3.228  -1.402
  248   2HD2  ASN  37          2HD2      ASN  37  -7.007  -4.888  -1.985
  249    HA   PRO  38           HA       PRO  38  -9.748  -5.628   5.217
  250   1HB   PRO  38          1HB       PRO  38 -11.591  -7.690   5.453
  251   2HB   PRO  38          2HB       PRO  38 -11.935  -5.966   5.788
  252   1HG   PRO  38          1HG       PRO  38 -12.475  -7.519   3.241
  253   2HG   PRO  38          2HG       PRO  38 -13.578  -6.414   4.119
  254   1HD   PRO  38          1HD       PRO  38 -12.178  -5.582   1.950
  255   2HD   PRO  38          2HD       PRO  38 -12.400  -4.497   3.360
  256    H    ASP  39           H        ASP  39 -10.045  -7.465   2.311
  257    HA   ASP  39           HA       ASP  39  -8.692  -9.881   2.790
  258   1HB   ASP  39          1HB       ASP  39  -9.466  -8.088   0.460
  259   2HB   ASP  39          2HB       ASP  39  -8.524  -9.533   0.188
  260    H    LEU  40           H        LEU  40  -7.417  -6.640   2.175
  261    HA   LEU  40           HA       LEU  40  -4.862  -7.510   0.969
  262   1HB   LEU  40          1HB       LEU  40  -5.533  -5.387   0.244
  263   2HB   LEU  40          2HB       LEU  40  -6.230  -4.970   1.809
  264    HG   LEU  40           HG       LEU  40  -4.192  -4.517   2.768
  265   1HD1  LEU  40          1HD1      LEU  40  -2.924  -5.768   0.533
  266   2HD1  LEU  40          2HD1      LEU  40  -2.382  -4.086   0.584
  267   3HD1  LEU  40          3HD1      LEU  40  -2.203  -5.112   2.028
  268   1HD2  LEU  40          1HD2      LEU  40  -4.633  -3.069   0.118
  269   2HD2  LEU  40          2HD2      LEU  40  -5.379  -2.672   1.664
  270   3HD2  LEU  40          3HD2      LEU  40  -3.650  -2.402   1.407
  271    H    VAL  41           H        VAL  41  -2.863  -7.346   2.103
  272    HA   VAL  41           HA       VAL  41  -2.844  -7.006   4.982
  273    HB   VAL  41           HB       VAL  41  -1.699  -9.199   5.246
  274   1HG1  VAL  41          1HG1      VAL  41  -3.630 -10.576   5.352
  275   2HG1  VAL  41          2HG1      VAL  41  -4.150  -8.912   5.729
  276   3HG1  VAL  41          3HG1      VAL  41  -4.478  -9.631   4.127
  277   1HG2  VAL  41          1HG2      VAL  41  -2.834  -9.947   2.525
  278   2HG2  VAL  41          2HG2      VAL  41  -1.122  -9.554   2.821
  279   3HG2  VAL  41          3HG2      VAL  41  -1.857 -10.952   3.602
  280    H    GLN  42           H        GLN  42  -0.680  -6.715   5.769
  281    HA   GLN  42           HA       GLN  42   1.323  -5.901   3.805
  282   1HB   GLN  42          1HB       GLN  42   0.965  -4.799   6.122
  283   2HB   GLN  42          2HB       GLN  42   1.715  -6.226   6.811
  284   1HG   GLN  42          1HG       GLN  42   3.511  -4.698   6.519
  285   2HG   GLN  42          2HG       GLN  42   3.689  -5.797   5.152
  286   1HE2  GLN  42          1HE2      GLN  42   4.164  -4.591   3.165
  287   2HE2  GLN  42          2HE2      GLN  42   3.417  -3.031   2.906
  288    H    VAL  43           H        VAL  43   1.377  -7.963   2.671
  289    HA   VAL  43           HA       VAL  43   2.298 -10.334   3.796
  290    HB   VAL  43           HB       VAL  43   3.373 -10.695   1.466
  291   1HG1  VAL  43          1HG1      VAL  43   1.183 -11.619   2.368
  292   2HG1  VAL  43          2HG1      VAL  43   0.383 -10.260   1.551
  293   3HG1  VAL  43          3HG1      VAL  43   1.318 -11.461   0.624
  294   1HG2  VAL  43          1HG2      VAL  43   1.659  -8.236   0.908
  295   2HG2  VAL  43          2HG2      VAL  43   3.412  -8.365   0.693
  296   3HG2  VAL  43          3HG2      VAL  43   2.329  -9.328  -0.321
  297    H    HIS  44           H        HIS  44   4.071  -7.389   2.766
  298    HA   HIS  44           HA       HIS  44   6.389  -8.064   4.411
  299   1HB   HIS  44          1HB       HIS  44   6.768  -9.362   2.330
  300   2HB   HIS  44          2HB       HIS  44   6.478  -7.917   1.361
  301    HD1  HIS  44           HD1      HIS  44   8.630  -6.789   0.603
  302    HD2  HIS  44           HD2      HIS  44   9.011  -8.982   4.183
  303    HE1  HIS  44           HE1      HIS  44  11.128  -6.738   1.261
  304    H    GLU  45           H        GLU  45   7.443  -6.061   5.009
  305    HA   GLU  45           HA       GLU  45   6.421  -3.583   3.757
  306   1HB   GLU  45          1HB       GLU  45   6.656  -3.733   6.291
  307   2HB   GLU  45          2HB       GLU  45   8.415  -3.669   6.041
  308   1HG   GLU  45          1HG       GLU  45   7.907  -1.605   4.513
  309   2HG   GLU  45          2HG       GLU  45   6.276  -1.678   5.177
  310    H    GLY  46           H        GLY  46   7.404  -4.623   1.753
  311   1HA   GLY  46          1HA       GLY  46   9.466  -2.922   0.920
  312   2HA   GLY  46          2HA       GLY  46  10.174  -4.533   1.164
  313    HA   PRO  47           HA       PRO  47   7.243  -3.807  -2.488
  314   1HB   PRO  47          1HB       PRO  47   8.679  -2.980  -4.611
  315   2HB   PRO  47          2HB       PRO  47   8.345  -1.931  -3.199
  316   1HG   PRO  47          1HG       PRO  47  10.875  -3.524  -3.739
  317   2HG   PRO  47          2HG       PRO  47  10.728  -1.791  -3.291
  318   1HD   PRO  47          1HD       PRO  47  11.179  -3.825  -1.480
  319   2HD   PRO  47          2HD       PRO  47  10.328  -2.320  -1.060
  320    H    CYS  48           H        CYS  48   6.629  -4.953  -4.313
  321    HA   CYS  48           HA       CYS  48   8.010  -7.526  -4.884
  322   1HB   CYS  48          1HB       CYS  48   5.220  -6.439  -5.414
  323   2HB   CYS  48          2HB       CYS  48   5.807  -7.866  -6.239
  324    H    ASP  49           H        ASP  49   6.624  -4.572  -6.404
  325    HA   ASP  49           HA       ASP  49   7.814  -4.964  -8.898
  326   1HB   ASP  49          1HB       ASP  49   6.519  -2.533  -7.677
  327   2HB   ASP  49          2HB       ASP  49   6.892  -2.770  -9.387
  328    H    GLU  50           H        GLU  50  10.031  -5.175  -8.310
  329    HA   GLU  50           HA       GLU  50  11.534  -2.837  -8.784
  330   1HB   GLU  50          1HB       GLU  50  11.155  -3.380  -5.979
  331   2HB   GLU  50          2HB       GLU  50  12.822  -3.791  -6.356
  332   1HG   GLU  50          1HG       GLU  50  13.227  -1.576  -7.295
  333   2HG   GLU  50          2HG       GLU  50  11.521  -1.150  -7.162
  334    H    HIS  51           H        HIS  51  14.118  -3.752  -8.395
  335    HA   HIS  51           HA       HIS  51  14.170  -6.536  -9.420
  336   1HB   HIS  51          1HB       HIS  51  13.844  -4.872 -11.335
  337   2HB   HIS  51          2HB       HIS  51  15.460  -4.267 -10.977
  338    HD1  HIS  51           HD1      HIS  51  13.655  -7.309 -12.413
  339    HD2  HIS  51           HD2      HIS  51  17.544  -5.873 -11.683
  340    HE1  HIS  51           HE1      HIS  51  15.263  -8.845 -13.698
  341    H    ASP  52           H        ASP  52  16.121  -3.632  -8.350
  342    HA   ASP  52           HA       ASP  52  18.092  -5.095  -7.036
  343   1HB   ASP  52          1HB       ASP  52  19.913  -4.594  -8.582
  344   2HB   ASP  52          2HB       ASP  52  18.713  -5.481  -9.499
  345    H    HIS  53           H        HIS  53  19.901  -3.323  -6.565
  346    HA   HIS  53           HA       HIS  53  19.145  -0.560  -7.079
  347   1HB   HIS  53          1HB       HIS  53  19.581  -1.628  -4.254
  348   2HB   HIS  53          2HB       HIS  53  20.038   0.011  -4.684
  349    HD1  HIS  53           HD1      HIS  53  16.714  -1.105  -6.106
  350    HD2  HIS  53           HD2      HIS  53  18.372   0.965  -2.842
  351    HE1  HIS  53           HE1      HIS  53  14.787   0.167  -4.972
  352    H    ASP  54           H        ASP  54  20.822  -1.929  -8.632
  353    HA   ASP  54           HA       ASP  54  23.579  -1.727  -7.457
  354   1HB   ASP  54          1HB       ASP  54  22.305  -4.143  -8.797
  355   2HB   ASP  54          2HB       ASP  54  23.981  -4.003  -8.276
  356    H    PHE  55           H        PHE  55  25.047  -0.984  -8.859
  357    HA   PHE  55           HA       PHE  55  24.362  -0.640 -11.719
  358   1HB   PHE  55          2HB       PHE  55  25.078   1.343 -10.006
  359   2HB   PHE  55          1HB       PHE  55  26.678   0.806 -10.485
  360    HD1  PHE  55           HD1      PHE  55  23.972   2.951 -11.279
  361    HD2  PHE  55           HD2      PHE  55  26.980   0.506 -13.164
  362    HE1  PHE  55           HE1      PHE  55  23.746   4.279 -13.359
  363    HE2  PHE  55           HE2      PHE  55  26.748   1.832 -15.246
  364    HZ   PHE  55           HZ       PHE  55  25.131   3.723 -15.350
  Start of MODEL   19
    1   1H    PHE   1          1H        PHE   1 -14.317   6.322   6.598
    2   2H    PHE   1          2H        PHE   1 -15.402   5.671   5.538
    3   3H    PHE   1          3H        PHE   1 -14.976   4.822   6.889
    4    HA   PHE   1           HA       PHE   1 -12.640   4.725   5.971
    5   1HB   PHE   1          2HB       PHE   1 -14.098   3.385   3.897
    6   2HB   PHE   1          1HB       PHE   1 -13.114   2.770   5.224
    7    HD1  PHE   1           HD1      PHE   1 -16.523   3.213   4.043
    8    HD2  PHE   1           HD2      PHE   1 -14.104   2.356   7.519
    9    HE1  PHE   1           HE1      PHE   1 -18.559   2.599   5.322
   10    HE2  PHE   1           HE2      PHE   1 -16.152   1.771   8.788
   11    HZ   PHE   1           HZ       PHE   1 -18.383   1.918   7.705
   12    H    GLN   2           H        GLN   2 -11.638   6.434   5.169
   13    HA   GLN   2           HA       GLN   2 -11.170   6.748   2.627
   14   1HB   GLN   2          1HB       GLN   2 -13.543   8.370   3.222
   15   2HB   GLN   2          2HB       GLN   2 -12.222   9.359   2.606
   16   1HG   GLN   2          1HG       GLN   2 -12.206   8.387   0.529
   17   2HG   GLN   2          2HG       GLN   2 -12.695   6.810   1.122
   18   1HE2  GLN   2          1HE2      GLN   2 -14.890   6.449   1.771
   19   2HE2  GLN   2          2HE2      GLN   2 -16.175   7.298   0.869
   20    H    GLY   3           H        GLY   3 -11.592   9.673   4.565
   21   1HA   GLY   3          1HA       GLY   3  -8.777  10.140   4.780
   22   2HA   GLY   3          2HA       GLY   3 -10.053  11.039   5.592
   23    H    ASN   4           H        ASN   4 -11.050   8.527   7.011
   24    HA   ASN   4           HA       ASN   4  -9.418   8.848   9.337
   25   1HB   ASN   4          1HB       ASN   4 -11.843   7.313   8.683
   26   2HB   ASN   4          2HB       ASN   4 -10.754   6.399   9.722
   27   1HD2  ASN   4          1HD2      ASN   4 -13.419   8.336  10.050
   28   2HD2  ASN   4          2HD2      ASN   4 -12.951   9.068  11.572
   29    HA   PRO   5           HA       PRO   5  -6.888   4.962   7.962
   30   1HB   PRO   5          1HB       PRO   5  -7.289   4.301   5.271
   31   2HB   PRO   5          2HB       PRO   5  -7.825   3.367   6.701
   32   1HG   PRO   5          1HG       PRO   5  -9.331   5.173   4.886
   33   2HG   PRO   5          2HG       PRO   5  -9.891   3.716   5.741
   34   1HD   PRO   5          1HD       PRO   5 -10.508   6.246   6.610
   35   2HD   PRO   5          2HD       PRO   5 -10.277   4.881   7.728
   36    H    CYS   6           H        CYS   6  -7.688   6.911   4.948
   37    HA   CYS   6           HA       CYS   6  -4.820   6.914   4.493
   38   1HB   CYS   6          1HB       CYS   6  -7.078   7.837   2.724
   39   2HB   CYS   6          2HB       CYS   6  -5.411   7.526   2.244
   40    H    GLU   7           H        GLU   7  -4.476   8.361   6.347
   41    HA   GLU   7           HA       GLU   7  -4.382  11.209   5.407
   42   1HB   GLU   7          1HB       GLU   7  -5.865  10.441   7.426
   43   2HB   GLU   7          2HB       GLU   7  -4.360  10.353   8.311
   44   1HG   GLU   7          1HG       GLU   7  -5.497  12.462   8.725
   45   2HG   GLU   7          2HG       GLU   7  -3.997  12.790   7.880
   46    H    CYS   8           H        CYS   8  -2.371   8.769   5.414
   47    HA   CYS   8           HA       CYS   8  -0.186   9.672   7.090
   48   1HB   CYS   8          1HB       CYS   8  -0.902   7.314   5.595
   49   2HB   CYS   8          2HB       CYS   8   0.734   7.774   5.155
   50    HA   PRO   9           HA       PRO   9   1.969  12.320   4.432
   51   1HB   PRO   9          1HB       PRO   9   4.628  11.945   4.955
   52   2HB   PRO   9          2HB       PRO   9   3.480  12.534   6.186
   53   1HG   PRO   9          1HG       PRO   9   4.563   9.739   5.801
   54   2HG   PRO   9          2HG       PRO   9   4.313  10.636   7.323
   55   1HD   PRO   9          1HD       PRO   9   2.571   8.760   6.244
   56   2HD   PRO   9          2HD       PRO   9   2.080  10.007   7.407
   57    H    ARG  10           H        ARG  10   3.586  12.630   2.711
   58    HA   ARG  10           HA       ARG  10   3.574  10.560   0.645
   59   1HB   ARG  10          1HB       ARG  10   4.850  13.326   0.852
   60   2HB   ARG  10          2HB       ARG  10   4.868  12.355  -0.618
   61   1HG   ARG  10          1HG       ARG  10   2.603  12.640  -1.057
   62   2HG   ARG  10          2HG       ARG  10   2.194  13.052   0.619
   63   1HD   ARG  10          1HD       ARG  10   3.422  15.156   0.457
   64   2HD   ARG  10          2HD       ARG  10   3.904  14.787  -1.213
   65    HE   ARG  10           HE       ARG  10   1.174  14.623  -1.282
   66   1HH1  ARG  10          2HH2      ARG  10   3.428  17.141  -0.264
   67   2HH1  ARG  10          1HH2      ARG  10   2.377  18.469  -0.610
   68   1HH2  ARG  10          2HH1      ARG  10  -0.261  16.381  -1.780
   69   2HH2  ARG  10          1HH1      ARG  10   0.231  18.011  -1.512
   70    H    ALA  11           H        ALA  11   4.836   9.534   2.884
   71    HA   ALA  11           HA       ALA  11   7.626   9.586   2.638
   72   1HB   ALA  11          1HB       ALA  11   7.496   7.525   4.061
   73   2HB   ALA  11          2HB       ALA  11   6.677   8.944   4.748
   74   3HB   ALA  11          3HB       ALA  11   5.720   7.646   3.977
   75    H    LEU  12           H        LEU  12   8.648   8.846   0.927
   76    HA   LEU  12           HA       LEU  12   7.577   6.812  -0.915
   77   1HB   LEU  12          1HB       LEU  12  10.112   8.467  -0.683
   78   2HB   LEU  12          2HB       LEU  12  10.102   7.040  -1.660
   79    HG   LEU  12           HG       LEU  12   9.568   9.522  -2.557
   80   1HD1  LEU  12          1HD1      LEU  12  10.063   7.569  -3.952
   81   2HD1  LEU  12          2HD1      LEU  12   8.410   6.954  -3.720
   82   3HD1  LEU  12          3HD1      LEU  12   8.695   8.467  -4.616
   83   1HD2  LEU  12          1HD2      LEU  12   7.400   9.762  -1.407
   84   2HD2  LEU  12          2HD2      LEU  12   7.242   9.822  -3.166
   85   3HD2  LEU  12          3HD2      LEU  12   6.774   8.353  -2.298
   86    H    HIS  13           H        HIS  13   7.329   4.899   0.234
   87    HA   HIS  13           HA       HIS  13   9.906   3.582   0.718
   88   1HB   HIS  13          1HB       HIS  13   8.662   4.596   2.958
   89   2HB   HIS  13          2HB       HIS  13   7.951   3.002   2.906
   90    HD1  HIS  13           HD1      HIS  13   9.736   0.884   3.422
   91    HD2  HIS  13           HD2      HIS  13  11.237   4.859   3.428
   92    HE1  HIS  13           HE1      HIS  13  11.885   0.843   4.698
   93    H    ARG  14           H        ARG  14   9.189   2.645  -1.376
   94    HA   ARG  14           HA       ARG  14   6.532   1.772  -1.755
   95   1HB   ARG  14          1HB       ARG  14   9.107   0.878  -3.129
   96   2HB   ARG  14          2HB       ARG  14   7.487   0.490  -3.704
   97   1HG   ARG  14          1HG       ARG  14   8.636   3.296  -3.446
   98   2HG   ARG  14          2HG       ARG  14   8.430   2.376  -4.948
   99   1HD   ARG  14          1HD       ARG  14   6.269   3.373  -3.128
  100   2HD   ARG  14          2HD       ARG  14   6.749   4.089  -4.672
  101    HE   ARG  14           HE       ARG  14   6.008   1.267  -4.805
  102   1HH1  ARG  14          2HH2      ARG  14   4.829   4.560  -5.220
  103   2HH1  ARG  14          1HH2      ARG  14   3.399   4.122  -6.087
  104   1HH2  ARG  14          2HH1      ARG  14   4.189   0.647  -6.071
  105   2HH2  ARG  14          1HH1      ARG  14   3.035   1.811  -6.586
  106    H    VAL  15           H        VAL  15   5.400  -0.075  -1.262
  107    HA   VAL  15           HA       VAL  15   6.928  -2.377  -0.192
  108    HB   VAL  15           HB       VAL  15   5.583  -2.744   1.594
  109   1HG1  VAL  15          1HG1      VAL  15   5.943  -0.897   3.031
  110   2HG1  VAL  15          2HG1      VAL  15   7.220  -0.825   1.794
  111   3HG1  VAL  15          3HG1      VAL  15   5.817   0.245   1.684
  112   1HG2  VAL  15          1HG2      VAL  15   3.597  -1.487   2.271
  113   2HG2  VAL  15          2HG2      VAL  15   3.689  -0.478   0.806
  114   3HG2  VAL  15          3HG2      VAL  15   3.306  -2.214   0.718
  115    H    CYS  16           H        CYS  16   5.574  -4.386  -0.067
  116    HA   CYS  16           HA       CYS  16   3.574  -4.470  -2.278
  117   1HB   CYS  16          1HB       CYS  16   5.531  -5.520  -2.823
  118   2HB   CYS  16          2HB       CYS  16   5.724  -6.320  -1.272
  119    H    GLY  17           H        GLY  17   1.577  -5.186  -1.939
  120   1HA   GLY  17          1HA       GLY  17   0.822  -6.392   0.668
  121   2HA   GLY  17          2HA       GLY  17  -0.290  -5.690  -0.501
  122    H    SER  18           H        SER  18  -0.545  -8.265   0.497
  123    HA   SER  18           HA       SER  18   0.584 -10.356  -0.306
  124   1HB   SER  18          1HB       SER  18  -1.218 -11.657   0.255
  125   2HB   SER  18          2HB       SER  18  -1.614 -10.101   0.987
  126    HG   SER  18           HG       SER  18  -3.244  -9.835  -0.439
  127    H    ASP  19           H        ASP  19  -1.579  -8.938  -2.630
  128    HA   ASP  19           HA       ASP  19  -1.516 -11.020  -4.568
  129   1HB   ASP  19          1HB       ASP  19  -2.855  -8.550  -4.194
  130   2HB   ASP  19          2HB       ASP  19  -1.887  -8.298  -5.636
  131    H    GLY  20           H        GLY  20   1.165  -9.313  -3.610
  132   1HA   GLY  20          1HA       GLY  20   3.205  -8.843  -4.736
  133   2HA   GLY  20          2HA       GLY  20   2.466  -9.182  -6.285
  134    H    ASN  21           H        ASN  21   0.281  -7.336  -4.647
  135    HA   ASN  21           HA       ASN  21   0.458  -5.220  -6.446
  136   1HB   ASN  21          1HB       ASN  21  -1.572  -6.311  -5.237
  137   2HB   ASN  21          2HB       ASN  21  -1.278  -5.148  -3.962
  138   1HD2  ASN  21          1HD2      ASN  21  -3.170  -5.707  -6.626
  139   2HD2  ASN  21          2HD2      ASN  21  -3.381  -4.049  -7.151
  140    H    THR  22           H        THR  22   2.352  -3.956  -6.215
  141    HA   THR  22           HA       THR  22   3.302  -3.129  -3.726
  142    HB   THR  22           HB       THR  22   4.085  -2.168  -6.463
  143    HG1  THR  22           HG1      THR  22   4.287  -4.454  -5.835
  144   1HG2  THR  22          1HG2      THR  22   6.161  -1.387  -5.424
  145   2HG2  THR  22          2HG2      THR  22   4.847  -0.623  -4.533
  146   3HG2  THR  22          3HG2      THR  22   5.696  -2.023  -3.868
  147    H    TYR  23           H        TYR  23   3.245  -1.095  -2.650
  148    HA   TYR  23           HA       TYR  23   1.393   1.041  -3.559
  149   1HB   TYR  23          1HB       TYR  23   1.782  -0.217  -0.799
  150   2HB   TYR  23          2HB       TYR  23   1.006   1.323  -1.044
  151    HD1  TYR  23           HD1      TYR  23  -1.318   1.490  -1.655
  152    HD2  TYR  23           HD2      TYR  23   0.704  -2.318  -1.716
  153    HE1  TYR  23           HE1      TYR  23  -3.497   0.337  -1.911
  154    HE2  TYR  23           HE2      TYR  23  -1.443  -3.472  -2.004
  155    HH   TYR  23           HH       TYR  23  -3.730  -3.210  -2.313
  156    H    SER  24           H        SER  24   2.167   3.158  -3.075
  157    HA   SER  24           HA       SER  24   4.499   4.132  -2.805
  158   1HB   SER  24          1HB       SER  24   2.085   5.213  -1.348
  159   2HB   SER  24          2HB       SER  24   3.425   6.134  -2.067
  160    HG   SER  24           HG       SER  24   1.619   6.057  -3.460
  161    H    ASN  25           H        ASN  25   2.729   2.991   0.142
  162    HA   ASN  25           HA       ASN  25   5.069   2.637   1.648
  163   1HB   ASN  25          1HB       ASN  25   4.493   4.251   3.523
  164   2HB   ASN  25          2HB       ASN  25   5.184   4.935   2.092
  165   1HD2  ASN  25          1HD2      ASN  25   4.370   6.861   1.732
  166   2HD2  ASN  25          2HD2      ASN  25   2.773   7.427   2.212
  167    HA   PRO  26           HA       PRO  26   2.292  -0.225   3.338
  168   1HB   PRO  26          1HB       PRO  26   3.092  -0.692   5.925
  169   2HB   PRO  26          2HB       PRO  26   4.040  -1.207   4.507
  170   1HG   PRO  26          1HG       PRO  26   4.456   1.191   6.269
  171   2HG   PRO  26          2HG       PRO  26   5.680   0.103   5.556
  172   1HD   PRO  26          1HD       PRO  26   4.968   2.577   4.567
  173   2HD   PRO  26          2HD       PRO  26   5.671   1.309   3.558
  174    H    CYS  27           H        CYS  27   2.516   2.854   4.917
  175    HA   CYS  27           HA       CYS  27   0.250   2.618   6.649
  176   1HB   CYS  27          1HB       CYS  27   2.056   4.523   6.460
  177   2HB   CYS  27          2HB       CYS  27   1.039   5.146   5.175
  178    H    MET  28           H        MET  28   0.634   3.672   3.184
  179    HA   MET  28           HA       MET  28  -2.153   4.061   2.746
  180   1HB   MET  28          1HB       MET  28   0.296   3.624   1.030
  181   2HB   MET  28          2HB       MET  28  -1.277   3.485   0.270
  182   1HG   MET  28          1HG       MET  28  -0.925   5.871   2.025
  183   2HG   MET  28          2HG       MET  28   0.094   5.828   0.585
  184   1HE   MET  28          1HE       MET  28  -1.578   4.480  -1.707
  185   2HE   MET  28          2HE       MET  28  -2.267   5.967  -2.395
  186   3HE   MET  28          3HE       MET  28  -0.600   5.967  -1.773
  187    H    LEU  29           H        LEU  29  -0.245   1.037   2.632
  188    HA   LEU  29           HA       LEU  29  -2.289  -0.574   1.384
  189   1HB   LEU  29          1HB       LEU  29  -0.237  -1.451   1.435
  190   2HB   LEU  29          2HB       LEU  29   0.063  -1.152   3.164
  191    HG   LEU  29           HG       LEU  29  -1.542  -3.227   1.964
  192   1HD1  LEU  29          1HD1      LEU  29   1.215  -3.410   3.134
  193   2HD1  LEU  29          2HD1      LEU  29   0.280  -4.781   2.516
  194   3HD1  LEU  29          3HD1      LEU  29   0.806  -3.504   1.415
  195   1HD2  LEU  29          1HD2      LEU  29  -2.440  -3.115   4.175
  196   2HD2  LEU  29          2HD2      LEU  29  -1.224  -4.371   4.292
  197   3HD2  LEU  29          3HD2      LEU  29  -0.831  -2.750   4.870
  198    H    THR  30           H        THR  30  -1.345  -0.338   4.778
  199    HA   THR  30           HA       THR  30  -3.760  -1.576   5.684
  200    HB   THR  30           HB       THR  30  -1.658  -1.027   7.029
  201    HG1  THR  30           HG1      THR  30  -2.862  -1.301   8.924
  202   1HG2  THR  30          1HG2      THR  30  -3.310   1.396   7.736
  203   2HG2  THR  30          2HG2      THR  30  -1.873   0.805   8.615
  204   3HG2  THR  30          3HG2      THR  30  -1.728   1.324   6.926
  205    H    CYS  31           H        CYS  31  -3.206   1.946   5.049
  206    HA   CYS  31           HA       CYS  31  -5.566   2.819   5.929
  207   1HB   CYS  31          1HB       CYS  31  -4.962   4.808   5.017
  208   2HB   CYS  31          2HB       CYS  31  -3.523   4.040   4.608
  209    H    ALA  32           H        ALA  32  -4.879   1.846   2.555
  210    HA   ALA  32           HA       ALA  32  -7.358   1.640   1.393
  211   1HB   ALA  32          1HB       ALA  32  -5.111   1.217   0.365
  212   2HB   ALA  32          2HB       ALA  32  -5.126  -0.401   1.101
  213   3HB   ALA  32          3HB       ALA  32  -6.382   0.029  -0.065
  214    H    LYS  33           H        LYS  33  -5.724  -0.782   3.365
  215    HA   LYS  33           HA       LYS  33  -7.560  -2.908   3.064
  216   1HB   LYS  33          1HB       LYS  33  -5.259  -3.041   4.128
  217   2HB   LYS  33          2HB       LYS  33  -5.988  -2.406   5.615
  218   1HG   LYS  33          1HG       LYS  33  -7.574  -4.281   5.636
  219   2HG   LYS  33          2HG       LYS  33  -6.924  -4.869   4.096
  220   1HD   LYS  33          1HD       LYS  33  -4.888  -5.477   4.924
  221   2HD   LYS  33          2HD       LYS  33  -5.045  -4.576   6.366
  222   1HE   LYS  33          1HE       LYS  33  -6.922  -6.829   5.607
  223   2HE   LYS  33          2HE       LYS  33  -5.447  -7.117   6.540
  224   1HZ   LYS  33          1HZ       LYS  33  -6.410  -5.711   8.285
  225   2HZ   LYS  33          2HZ       LYS  33  -7.763  -5.477   7.369
  226   3HZ   LYS  33          3HZ       LYS  33  -7.416  -6.974   7.931
  227    H    HIS  34           H        HIS  34  -7.381  -0.590   5.765
  228    HA   HIS  34           HA       HIS  34  -9.989  -1.323   6.798
  229   1HB   HIS  34          1HB       HIS  34  -7.713   0.278   7.628
  230   2HB   HIS  34          2HB       HIS  34  -9.140   1.280   7.705
  231    HD1  HIS  34           HD1      HIS  34  -9.701   1.262  10.239
  232    HD2  HIS  34           HD2      HIS  34  -8.889  -2.535   8.612
  233    HE1  HIS  34           HE1      HIS  34 -10.196  -0.453  12.076
  234    H    GLU  35           H        GLU  35  -8.958   0.797   4.227
  235    HA   GLU  35           HA       GLU  35 -11.301   2.485   4.442
  236   1HB   GLU  35          1HB       GLU  35  -9.065   3.127   3.446
  237   2HB   GLU  35          2HB       GLU  35  -9.568   2.269   2.004
  238   1HG   GLU  35          1HG       GLU  35 -11.273   4.384   3.294
  239   2HG   GLU  35          2HG       GLU  35  -9.895   4.873   2.330
  240    H    GLY  36           H        GLY  36 -10.375  -0.229   2.341
  241   1HA   GLY  36          1HA       GLY  36 -13.106  -1.169   2.107
  242   2HA   GLY  36          2HA       GLY  36 -12.620  -0.266   0.672
  243    H    ASN  37           H        ASN  37 -10.067  -2.134   2.330
  244    HA   ASN  37           HA       ASN  37 -10.291  -4.168   0.140
  245   1HB   ASN  37          1HB       ASN  37  -8.391  -2.298  -0.075
  246   2HB   ASN  37          2HB       ASN  37  -7.592  -3.225   1.125
  247   1HD2  ASN  37          1HD2      ASN  37  -6.569  -2.907  -1.531
  248   2HD2  ASN  37          2HD2      ASN  37  -6.591  -4.540  -2.177
  249    HA   PRO  38           HA       PRO  38 -10.158  -5.799   4.553
  250   1HB   PRO  38          1HB       PRO  38 -12.130  -7.734   4.345
  251   2HB   PRO  38          2HB       PRO  38 -12.450  -6.021   4.754
  252   1HG   PRO  38          1HG       PRO  38 -12.589  -7.329   2.013
  253   2HG   PRO  38          2HG       PRO  38 -13.836  -6.315   2.814
  254   1HD   PRO  38          1HD       PRO  38 -12.137  -5.216   1.036
  255   2HD   PRO  38          2HD       PRO  38 -12.502  -4.348   2.561
  256    H    ASP  39           H        ASP  39 -10.025  -7.267   1.420
  257    HA   ASP  39           HA       ASP  39  -8.954  -9.857   2.063
  258   1HB   ASP  39          1HB       ASP  39 -10.081  -8.512  -0.114
  259   2HB   ASP  39          2HB       ASP  39  -8.404  -8.616  -0.584
  260    H    LEU  40           H        LEU  40  -7.560  -6.670   1.829
  261    HA   LEU  40           HA       LEU  40  -4.903  -7.513   0.871
  262   1HB   LEU  40          1HB       LEU  40  -5.462  -5.332   0.201
  263   2HB   LEU  40          2HB       LEU  40  -6.262  -4.970   1.730
  264    HG   LEU  40           HG       LEU  40  -4.275  -4.670   2.877
  265   1HD1  LEU  40          1HD1      LEU  40  -2.223  -5.187   2.238
  266   2HD1  LEU  40          2HD1      LEU  40  -2.974  -6.142   0.949
  267   3HD1  LEU  40          3HD1      LEU  40  -2.448  -4.511   0.584
  268   1HD2  LEU  40          1HD2      LEU  40  -4.495  -3.115   0.266
  269   2HD2  LEU  40          2HD2      LEU  40  -5.227  -2.703   1.812
  270   3HD2  LEU  40          3HD2      LEU  40  -3.474  -2.580   1.562
  271    H    VAL  41           H        VAL  41  -3.104  -7.538   2.305
  272    HA   VAL  41           HA       VAL  41  -3.523  -7.368   5.160
  273    HB   VAL  41           HB       VAL  41  -2.448  -9.613   5.425
  274   1HG1  VAL  41          1HG1      VAL  41  -4.428 -10.917   5.182
  275   2HG1  VAL  41          2HG1      VAL  41  -4.950  -9.273   5.602
  276   3HG1  VAL  41          3HG1      VAL  41  -5.085  -9.861   3.924
  277   1HG2  VAL  41          1HG2      VAL  41  -1.558  -9.837   3.090
  278   2HG2  VAL  41          2HG2      VAL  41  -2.492 -11.234   3.615
  279   3HG2  VAL  41          3HG2      VAL  41  -3.235 -10.070   2.514
  280    H    GLN  42           H        GLN  42  -1.542  -7.003   6.254
  281    HA   GLN  42           HA       GLN  42   0.659  -5.982   4.627
  282   1HB   GLN  42          1HB       GLN  42  -0.084  -4.920   6.802
  283   2HB   GLN  42          2HB       GLN  42   0.493  -6.349   7.646
  284   1HG   GLN  42          1HG       GLN  42   2.291  -4.841   7.808
  285   2HG   GLN  42          2HG       GLN  42   2.797  -5.896   6.497
  286   1HE2  GLN  42          1HE2      GLN  42   3.662  -4.671   4.608
  287   2HE2  GLN  42          2HE2      GLN  42   3.114  -3.045   4.364
  288    H    VAL  43           H        VAL  43   1.124  -7.931   3.461
  289    HA   VAL  43           HA       VAL  43   2.034 -10.315   4.581
  290    HB   VAL  43           HB       VAL  43   3.561 -10.237   2.379
  291   1HG1  VAL  43          1HG1      VAL  43   0.536 -10.430   2.131
  292   2HG1  VAL  43          2HG1      VAL  43   1.807 -11.171   1.095
  293   3HG1  VAL  43          3HG1      VAL  43   1.601 -11.724   2.750
  294   1HG2  VAL  43          1HG2      VAL  43   2.537  -8.902   0.599
  295   2HG2  VAL  43          2HG2      VAL  43   1.312  -8.274   1.705
  296   3HG2  VAL  43          3HG2      VAL  43   3.014  -7.820   1.911
  297    H    HIS  44           H        HIS  44   3.838  -7.375   3.595
  298    HA   HIS  44           HA       HIS  44   5.506  -7.321   5.818
  299   1HB   HIS  44          1HB       HIS  44   7.590  -8.032   5.075
  300   2HB   HIS  44          2HB       HIS  44   6.545  -9.373   4.799
  301    HD1  HIS  44           HD1      HIS  44   5.611  -7.989   1.787
  302    HD2  HIS  44           HD2      HIS  44   9.389  -8.970   3.372
  303    HE1  HIS  44           HE1      HIS  44   7.184  -8.336  -0.198
  304    H    GLU  45           H        GLU  45   7.670  -5.940   4.845
  305    HA   GLU  45           HA       GLU  45   6.581  -3.497   3.616
  306   1HB   GLU  45          1HB       GLU  45   8.323  -4.002   5.764
  307   2HB   GLU  45          2HB       GLU  45   9.442  -3.684   4.466
  308   1HG   GLU  45          1HG       GLU  45   7.230  -1.698   4.638
  309   2HG   GLU  45          2HG       GLU  45   8.158  -1.830   6.117
  310    H    GLY  46           H        GLY  46   8.660  -2.485   2.125
  311   1HA   GLY  46          1HA       GLY  46  10.121  -2.742   0.417
  312   2HA   GLY  46          2HA       GLY  46  10.205  -4.468   0.757
  313    HA   PRO  47           HA       PRO  47   7.237  -3.389  -2.821
  314   1HB   PRO  47          1HB       PRO  47   8.557  -2.567  -5.009
  315   2HB   PRO  47          2HB       PRO  47   8.250  -1.502  -3.606
  316   1HG   PRO  47          1HG       PRO  47  10.811  -3.001  -4.247
  317   2HG   PRO  47          2HG       PRO  47  10.613  -1.278  -3.804
  318   1HD   PRO  47          1HD       PRO  47  11.212  -3.261  -1.970
  319   2HD   PRO  47          2HD       PRO  47  10.318  -1.778  -1.560
  320    H    CYS  48           H        CYS  48   6.503  -4.795  -4.411
  321    HA   CYS  48           HA       CYS  48   8.128  -7.247  -4.866
  322   1HB   CYS  48          1HB       CYS  48   5.203  -6.602  -5.247
  323   2HB   CYS  48          2HB       CYS  48   5.967  -7.969  -6.033
  324    H    ASP  49           H        ASP  49   6.698  -4.423  -6.572
  325    HA   ASP  49           HA       ASP  49   7.322  -5.412  -9.103
  326   1HB   ASP  49          1HB       ASP  49   6.363  -3.556  -9.913
  327   2HB   ASP  49          2HB       ASP  49   5.703  -3.497  -8.290
  328    H    GLU  50           H        GLU  50   9.146  -4.958 -10.483
  329    HA   GLU  50           HA       GLU  50  11.538  -4.873  -8.855
  330   1HB   GLU  50          1HB       GLU  50  10.968  -6.617 -10.584
  331   2HB   GLU  50          2HB       GLU  50  11.348  -5.429 -11.836
  332   1HG   GLU  50          1HG       GLU  50  13.652  -5.227 -10.951
  333   2HG   GLU  50          2HG       GLU  50  13.247  -6.260  -9.583
  334    H    HIS  51           H        HIS  51  10.991  -2.588  -8.404
  335    HA   HIS  51           HA       HIS  51  11.843  -0.631 -10.448
  336   1HB   HIS  51          1HB       HIS  51   9.698  -0.382  -9.302
  337   2HB   HIS  51          2HB       HIS  51  10.485  -0.298  -7.738
  338    HD1  HIS  51           HD1      HIS  51  10.378   1.688 -11.059
  339    HD2  HIS  51           HD2      HIS  51  11.073   2.142  -6.933
  340    HE1  HIS  51           HE1      HIS  51  10.591   4.210 -10.618
  341    H    ASP  52           H        ASP  52  12.333  -0.369  -6.899
  342    HA   ASP  52           HA       ASP  52  15.079  -0.663  -6.720
  343   1HB   ASP  52          1HB       ASP  52  14.150   2.067  -7.547
  344   2HB   ASP  52          2HB       ASP  52  15.086   2.050  -6.065
  345    H    HIS  53           H        HIS  53  15.651   0.271  -4.431
  346    HA   HIS  53           HA       HIS  53  13.325   0.394  -2.633
  347   1HB   HIS  53          1HB       HIS  53  13.634  -2.020  -3.078
  348   2HB   HIS  53          2HB       HIS  53  15.314  -1.908  -2.553
  349    HD1  HIS  53           HD1      HIS  53  15.337  -3.166  -0.299
  350    HD2  HIS  53           HD2      HIS  53  12.074  -0.549  -0.755
  351    HE1  HIS  53           HE1      HIS  53  14.006  -3.250   1.894
  352    H    ASP  54           H        ASP  54  14.546   2.551  -2.808
  353    HA   ASP  54           HA       ASP  54  16.205   2.813  -0.471
  354   1HB   ASP  54          1HB       ASP  54  17.893   4.115  -1.531
  355   2HB   ASP  54          2HB       ASP  54  17.801   2.568  -2.356
  356    H    PHE  55           H        PHE  55  16.619   5.610  -0.781
  357    HA   PHE  55           HA       PHE  55  13.866   6.526  -0.175
  358   1HB   PHE  55          2HB       PHE  55  16.616   7.605   0.584
  359   2HB   PHE  55          1HB       PHE  55  15.092   8.375   0.993
  360    HD1  PHE  55           HD1      PHE  55  17.518   5.899   2.017
  361    HD2  PHE  55           HD2      PHE  55  13.392   7.076   2.416
  362    HE1  PHE  55           HE1      PHE  55  17.329   4.543   4.089
  363    HE2  PHE  55           HE2      PHE  55  13.218   5.729   4.502
  364    HZ   PHE  55           HZ       PHE  55  15.169   4.446   5.323
  Start of MODEL   20
    1   1H    PHE   1          1H        PHE   1 -15.363   6.032   3.811
    2   2H    PHE   1          2H        PHE   1 -15.286   5.718   5.428
    3   3H    PHE   1          3H        PHE   1 -14.481   7.035   4.789
    4    HA   PHE   1           HA       PHE   1 -12.927   5.208   5.230
    5   1HB   PHE   1          2HB       PHE   1 -13.756   3.616   2.988
    6   2HB   PHE   1          1HB       PHE   1 -13.288   3.208   4.614
    7    HD1  PHE   1           HD1      PHE   1 -16.045   3.554   2.310
    8    HD2  PHE   1           HD2      PHE   1 -14.983   3.203   6.500
    9    HE1  PHE   1           HE1      PHE   1 -18.407   3.068   2.884
   10    HE2  PHE   1           HE2      PHE   1 -17.352   2.757   7.060
   11    HZ   PHE   1           HZ       PHE   1 -19.077   2.661   5.257
   12    H    GLN   2           H        GLN   2 -11.563   6.900   4.527
   13    HA   GLN   2           HA       GLN   2 -10.543   6.828   1.962
   14   1HB   GLN   2          1HB       GLN   2 -11.337   9.266   1.327
   15   2HB   GLN   2          2HB       GLN   2 -12.208   7.807   0.823
   16   1HG   GLN   2          1HG       GLN   2 -13.993   8.163   2.225
   17   2HG   GLN   2          2HG       GLN   2 -13.083   9.125   3.393
   18   1HE2  GLN   2          1HE2      GLN   2 -15.684   9.363   1.564
   19   2HE2  GLN   2          2HE2      GLN   2 -15.544  11.063   1.135
   20    H    GLY   3           H        GLY   3 -11.377   9.507   4.088
   21   1HA   GLY   3          1HA       GLY   3  -8.554  10.405   4.397
   22   2HA   GLY   3          2HA       GLY   3 -10.013  11.279   4.879
   23    H    ASN   4           H        ASN   4 -10.849   8.675   6.216
   24    HA   ASN   4           HA       ASN   4  -9.728   8.979   8.887
   25   1HB   ASN   4          1HB       ASN   4 -11.197   6.460   8.489
   26   2HB   ASN   4          2HB       ASN   4 -11.453   7.737   9.634
   27   1HD2  ASN   4          1HD2      ASN   4 -13.044   6.109   7.265
   28   2HD2  ASN   4          2HD2      ASN   4 -14.147   7.489   6.955
   29    HA   PRO   5           HA       PRO   5  -7.561   4.814   7.858
   30   1HB   PRO   5          1HB       PRO   5  -7.644   3.964   5.277
   31   2HB   PRO   5          2HB       PRO   5  -8.750   3.403   6.539
   32   1HG   PRO   5          1HG       PRO   5  -9.152   5.170   4.198
   33   2HG   PRO   5          2HG       PRO   5 -10.380   4.255   5.157
   34   1HD   PRO   5          1HD       PRO   5  -9.656   7.000   5.344
   35   2HD   PRO   5          2HD       PRO   5 -10.845   6.149   6.307
   36    H    CYS   6           H        CYS   6  -7.469   6.910   4.805
   37    HA   CYS   6           HA       CYS   6  -4.519   6.744   4.825
   38   1HB   CYS   6          1HB       CYS   6  -6.468   8.044   2.901
   39   2HB   CYS   6          2HB       CYS   6  -4.755   8.376   2.876
   40    H    GLU   7           H        GLU   7  -3.353   8.119   5.794
   41    HA   GLU   7           HA       GLU   7  -3.791  10.969   5.986
   42   1HB   GLU   7          1HB       GLU   7  -4.069  11.030   8.434
   43   2HB   GLU   7          2HB       GLU   7  -5.415  10.301   7.618
   44   1HG   GLU   7          1HG       GLU   7  -5.324   8.563   8.989
   45   2HG   GLU   7          2HG       GLU   7  -3.810   8.070   8.227
   46    H    CYS   8           H        CYS   8  -1.665   9.210   5.016
   47    HA   CYS   8           HA       CYS   8   0.432   9.729   7.065
   48   1HB   CYS   8          1HB       CYS   8  -0.232   7.338   5.666
   49   2HB   CYS   8          2HB       CYS   8   1.331   7.874   5.093
   50    HA   PRO   9           HA       PRO   9   2.392  12.404   4.244
   51   1HB   PRO   9          1HB       PRO   9   5.109  11.821   4.554
   52   2HB   PRO   9          2HB       PRO   9   4.116  12.755   5.700
   53   1HG   PRO   9          1HG       PRO   9   5.141   9.996   6.004
   54   2HG   PRO   9          2HG       PRO   9   4.596  11.172   7.252
   55   1HD   PRO   9          1HD       PRO   9   3.167   8.969   6.085
   56   2HD   PRO   9          2HD       PRO   9   2.570  10.135   7.321
   57    H    ARG  10           H        ARG  10   4.065  12.431   2.406
   58    HA   ARG  10           HA       ARG  10   3.635  10.217   0.475
   59   1HB   ARG  10          1HB       ARG  10   4.761  13.052   0.401
   60   2HB   ARG  10          2HB       ARG  10   5.090  11.923  -0.922
   61   1HG   ARG  10          1HG       ARG  10   2.835  11.620  -1.473
   62   2HG   ARG  10          2HG       ARG  10   2.256  12.466  -0.024
   63   1HD   ARG  10          1HD       ARG  10   2.887  14.588  -0.843
   64   2HD   ARG  10          2HD       ARG  10   4.133  13.911  -1.891
   65    HE   ARG  10           HE       ARG  10   2.696  13.781  -3.573
   66   1HH1  ARG  10          2HH2      ARG  10   0.756  13.758  -0.643
   67   2HH1  ARG  10          1HH2      ARG  10  -0.784  13.682  -1.432
   68   1HH2  ARG  10          2HH1      ARG  10   0.679  13.684  -4.692
   69   2HH2  ARG  10          1HH1      ARG  10  -0.807  13.647  -3.823
   70    H    ALA  11           H        ALA  11   4.988   9.278   2.685
   71    HA   ALA  11           HA       ALA  11   7.755   9.244   2.243
   72   1HB   ALA  11          1HB       ALA  11   6.082   7.166   3.717
   73   2HB   ALA  11          2HB       ALA  11   7.804   7.551   3.961
   74   3HB   ALA  11          3HB       ALA  11   6.569   8.720   4.443
   75    H    LEU  12           H        LEU  12   8.811   8.202   0.624
   76    HA   LEU  12           HA       LEU  12   7.405   6.378  -1.180
   77   1HB   LEU  12          1HB       LEU  12  10.081   7.778  -1.009
   78   2HB   LEU  12          2HB       LEU  12   9.927   6.404  -2.052
   79    HG   LEU  12           HG       LEU  12   9.611   8.759  -2.926
   80   1HD1  LEU  12          1HD1      LEU  12   7.404   7.001  -4.023
   81   2HD1  LEU  12          2HD1      LEU  12   8.639   7.939  -4.870
   82   3HD1  LEU  12          3HD1      LEU  12   9.070   6.413  -4.111
   83   1HD2  LEU  12          1HD2      LEU  12   7.838   9.482  -1.417
   84   2HD2  LEU  12          2HD2      LEU  12   7.397   9.678  -3.106
   85   3HD2  LEU  12          3HD2      LEU  12   6.704   8.340  -2.160
   86    H    HIS  13           H        HIS  13   7.147   5.201   1.033
   87    HA   HIS  13           HA       HIS  13   9.338   3.252   1.614
   88   1HB   HIS  13          1HB       HIS  13   6.683   3.942   2.930
   89   2HB   HIS  13          2HB       HIS  13   7.539   2.420   3.271
   90    HD1  HIS  13           HD1      HIS  13   8.039   2.953   5.750
   91    HD2  HIS  13           HD2      HIS  13   9.740   5.538   2.882
   92    HE1  HIS  13           HE1      HIS  13   9.780   4.377   6.966
   93    H    ARG  14           H        ARG  14   8.809   2.962  -0.935
   94    HA   ARG  14           HA       ARG  14   6.542   1.678  -1.843
   95   1HB   ARG  14          1HB       ARG  14   9.450   1.194  -2.581
   96   2HB   ARG  14          2HB       ARG  14   8.109   0.460  -3.460
   97   1HG   ARG  14          1HG       ARG  14   8.306   3.469  -3.087
   98   2HG   ARG  14          2HG       ARG  14   9.045   2.610  -4.456
   99   1HD   ARG  14          1HD       ARG  14   6.116   2.459  -3.770
  100   2HD   ARG  14          2HD       ARG  14   6.823   3.640  -4.895
  101    HE   ARG  14           HE       ARG  14   7.443   0.830  -5.323
  102   1HH1  ARG  14          2HH2      ARG  14   5.185   3.399  -6.110
  103   2HH1  ARG  14          1HH2      ARG  14   4.586   2.726  -7.593
  104   1HH2  ARG  14          2HH1      ARG  14   6.763  -0.080  -7.424
  105   2HH2  ARG  14          1HH1      ARG  14   5.506   0.660  -8.339
  106    H    VAL  15           H        VAL  15   5.473  -0.153  -1.395
  107    HA   VAL  15           HA       VAL  15   6.904  -2.439  -0.136
  108    HB   VAL  15           HB       VAL  15   5.130  -2.850   1.360
  109   1HG1  VAL  15          1HG1      VAL  15   5.464  -0.018   1.911
  110   2HG1  VAL  15          2HG1      VAL  15   5.787  -1.405   2.904
  111   3HG1  VAL  15          3HG1      VAL  15   6.978  -0.917   1.690
  112   1HG2  VAL  15          1HG2      VAL  15   3.164  -1.993   0.152
  113   2HG2  VAL  15          2HG2      VAL  15   3.285  -1.253   1.734
  114   3HG2  VAL  15          3HG2      VAL  15   3.804  -0.317   0.320
  115    H    CYS  16           H        CYS  16   5.202  -4.401   0.010
  116    HA   CYS  16           HA       CYS  16   3.582  -4.454  -2.535
  117   1HB   CYS  16          1HB       CYS  16   5.405  -5.537  -3.136
  118   2HB   CYS  16          2HB       CYS  16   5.816  -6.178  -1.572
  119    H    GLY  17           H        GLY  17   1.714  -5.395  -2.453
  120   1HA   GLY  17          1HA       GLY  17   0.627  -6.167   0.191
  121   2HA   GLY  17          2HA       GLY  17  -0.289  -5.942  -1.301
  122    H    SER  18           H        SER  18  -0.558  -8.187   0.322
  123    HA   SER  18           HA       SER  18   0.467 -10.541  -0.524
  124   1HB   SER  18          1HB       SER  18  -1.149 -11.344   0.758
  125   2HB   SER  18          2HB       SER  18  -1.784  -9.724   0.880
  126    HG   SER  18           HG       SER  18  -3.129 -10.308  -0.998
  127    H    ASP  19           H        ASP  19  -1.358  -8.539  -2.570
  128    HA   ASP  19           HA       ASP  19  -1.762 -10.515  -4.709
  129   1HB   ASP  19          1HB       ASP  19  -2.511  -7.636  -4.152
  130   2HB   ASP  19          2HB       ASP  19  -2.620  -8.245  -5.802
  131    H    GLY  20           H        GLY  20   1.042  -8.906  -3.647
  132   1HA   GLY  20          1HA       GLY  20   3.022  -8.563  -4.704
  133   2HA   GLY  20          2HA       GLY  20   2.342  -8.990  -6.266
  134    H    ASN  21           H        ASN  21   0.146  -6.893  -5.096
  135    HA   ASN  21           HA       ASN  21   0.834  -4.885  -6.898
  136   1HB   ASN  21          1HB       ASN  21  -1.514  -5.541  -5.451
  137   2HB   ASN  21          2HB       ASN  21  -1.093  -3.913  -4.936
  138   1HD2  ASN  21          1HD2      ASN  21  -2.958  -5.488  -7.199
  139   2HD2  ASN  21          2HD2      ASN  21  -2.841  -4.305  -8.492
  140    H    THR  22           H        THR  22   2.524  -3.568  -6.628
  141    HA   THR  22           HA       THR  22   3.588  -3.105  -4.092
  142    HB   THR  22           HB       THR  22   4.305  -1.529  -6.570
  143    HG1  THR  22           HG1      THR  22   4.550  -3.814  -6.870
  144   1HG2  THR  22          1HG2      THR  22   6.197  -2.215  -4.263
  145   2HG2  THR  22          2HG2      THR  22   6.450  -1.089  -5.548
  146   3HG2  THR  22          3HG2      THR  22   5.295  -0.713  -4.284
  147    H    TYR  23           H        TYR  23   3.534  -1.070  -2.864
  148    HA   TYR  23           HA       TYR  23   1.426   0.904  -3.571
  149   1HB   TYR  23          1HB       TYR  23   2.023  -0.464  -0.954
  150   2HB   TYR  23          2HB       TYR  23   1.174   1.053  -1.023
  151    HD1  TYR  23           HD1      TYR  23   0.892  -2.546  -1.284
  152    HD2  TYR  23           HD2      TYR  23  -0.925   1.170  -2.531
  153    HE1  TYR  23           HE1      TYR  23  -1.259  -3.708  -1.599
  154    HE2  TYR  23           HE2      TYR  23  -3.047  -0.014  -2.976
  155    HH   TYR  23           HH       TYR  23  -4.052  -2.567  -1.690
  156    H    SER  24           H        SER  24   2.221   2.995  -3.469
  157    HA   SER  24           HA       SER  24   4.774   3.910  -3.348
  158   1HB   SER  24          1HB       SER  24   2.666   5.177  -3.889
  159   2HB   SER  24          2HB       SER  24   2.404   5.381  -2.150
  160    HG   SER  24           HG       SER  24   4.833   6.162  -3.387
  161    H    ASN  25           H        ASN  25   2.753   3.078  -0.573
  162    HA   ASN  25           HA       ASN  25   4.941   2.926   1.269
  163   1HB   ASN  25          1HB       ASN  25   3.675   4.499   2.897
  164   2HB   ASN  25          2HB       ASN  25   4.788   5.087   1.703
  165   1HD2  ASN  25          1HD2      ASN  25   3.618   7.226   2.203
  166   2HD2  ASN  25          2HD2      ASN  25   2.109   7.495   1.379
  167    HA   PRO  26           HA       PRO  26   2.122  -0.045   3.045
  168   1HB   PRO  26          1HB       PRO  26   3.114  -0.186   5.617
  169   2HB   PRO  26          2HB       PRO  26   3.915  -0.914   4.206
  170   1HG   PRO  26          1HG       PRO  26   4.738   1.498   5.738
  171   2HG   PRO  26          2HG       PRO  26   5.680   0.443   4.657
  172   1HD   PRO  26          1HD       PRO  26   4.604   2.962   4.030
  173   2HD   PRO  26          2HD       PRO  26   5.477   1.836   2.996
  174    H    CYS  27           H        CYS  27   2.597   3.083   4.539
  175    HA   CYS  27           HA       CYS  27   0.417   2.983   6.323
  176   1HB   CYS  27          1HB       CYS  27   2.365   4.814   5.773
  177   2HB   CYS  27          2HB       CYS  27   0.994   5.568   4.998
  178    H    MET  28           H        MET  28   0.527   3.528   2.860
  179    HA   MET  28           HA       MET  28  -2.291   4.319   2.601
  180   1HB   MET  28          1HB       MET  28  -0.058   3.652   0.711
  181   2HB   MET  28          2HB       MET  28  -1.674   3.342   0.158
  182   1HG   MET  28          1HG       MET  28  -1.879   5.895   1.326
  183   2HG   MET  28          2HG       MET  28  -0.352   5.924   0.473
  184   1HE   MET  28          1HE       MET  28  -0.056   4.758  -1.672
  185   2HE   MET  28          2HE       MET  28  -1.420   3.852  -2.367
  186   3HE   MET  28          3HE       MET  28  -0.936   5.415  -3.068
  187    H    LEU  29           H        LEU  29  -0.452   1.272   2.439
  188    HA   LEU  29           HA       LEU  29  -2.471  -0.369   1.353
  189   1HB   LEU  29          1HB       LEU  29  -0.235  -1.021   1.533
  190   2HB   LEU  29          2HB       LEU  29  -0.298  -1.091   3.345
  191    HG   LEU  29           HG       LEU  29  -1.936  -2.737   1.716
  192   1HD1  LEU  29          1HD1      LEU  29  -0.390  -4.182   0.917
  193   2HD1  LEU  29          2HD1      LEU  29   0.662  -2.814   1.008
  194   3HD1  LEU  29          3HD1      LEU  29   0.703  -4.006   2.293
  195   1HD2  LEU  29          1HD2      LEU  29  -2.463  -3.597   3.816
  196   2HD2  LEU  29          2HD2      LEU  29  -0.845  -4.254   3.878
  197   3HD2  LEU  29          3HD2      LEU  29  -1.171  -2.676   4.559
  198    H    THR  30           H        THR  30  -1.599  -0.197   4.796
  199    HA   THR  30           HA       THR  30  -3.823  -1.435   5.864
  200    HB   THR  30           HB       THR  30  -1.832  -0.660   7.166
  201    HG1  THR  30           HG1      THR  30  -3.037  -0.399   9.075
  202   1HG2  THR  30          1HG2      THR  30  -1.967   1.678   6.320
  203   2HG2  THR  30          2HG2      THR  30  -3.331   1.956   7.413
  204   3HG2  THR  30          3HG2      THR  30  -1.749   1.526   8.080
  205    H    CYS  31           H        CYS  31  -3.567   2.091   5.051
  206    HA   CYS  31           HA       CYS  31  -5.913   2.951   5.904
  207   1HB   CYS  31          1HB       CYS  31  -4.757   4.691   4.887
  208   2HB   CYS  31          2HB       CYS  31  -4.174   3.722   3.575
  209    H    ALA  32           H        ALA  32  -5.333   1.949   2.582
  210    HA   ALA  32           HA       ALA  32  -7.818   1.629   1.526
  211   1HB   ALA  32          1HB       ALA  32  -6.210  -0.586   0.620
  212   2HB   ALA  32          2HB       ALA  32  -6.724   0.915  -0.200
  213   3HB   ALA  32          3HB       ALA  32  -5.213   0.881   0.757
  214    H    LYS  33           H        LYS  33  -5.983  -0.685   3.291
  215    HA   LYS  33           HA       LYS  33  -7.758  -2.908   3.295
  216   1HB   LYS  33          1HB       LYS  33  -5.327  -2.520   4.389
  217   2HB   LYS  33          2HB       LYS  33  -6.325  -2.381   5.848
  218   1HG   LYS  33          1HG       LYS  33  -7.466  -4.494   5.242
  219   2HG   LYS  33          2HG       LYS  33  -6.383  -4.654   3.849
  220   1HD   LYS  33          1HD       LYS  33  -4.583  -5.242   5.025
  221   2HD   LYS  33          2HD       LYS  33  -4.882  -4.170   6.293
  222   1HE   LYS  33          1HE       LYS  33  -6.947  -6.274   5.964
  223   2HE   LYS  33          2HE       LYS  33  -5.367  -6.928   6.318
  224   1HZ   LYS  33          1HZ       LYS  33  -6.508  -4.778   8.000
  225   2HZ   LYS  33          2HZ       LYS  33  -6.908  -6.346   8.283
  226   3HZ   LYS  33          3HZ       LYS  33  -5.340  -5.862   8.406
  227    H    HIS  34           H        HIS  34  -7.524  -0.598   5.942
  228    HA   HIS  34           HA       HIS  34 -10.077  -1.346   7.104
  229   1HB   HIS  34          1HB       HIS  34  -7.862   0.501   7.734
  230   2HB   HIS  34          2HB       HIS  34  -9.407   1.279   7.985
  231    HD1  HIS  34           HD1      HIS  34  -7.661   0.826  10.485
  232    HD2  HIS  34           HD2      HIS  34 -10.589  -1.864   9.075
  233    HE1  HIS  34           HE1      HIS  34  -8.366  -0.633  12.466
  234    H    GLU  35           H        GLU  35  -9.214   0.678   4.454
  235    HA   GLU  35           HA       GLU  35 -11.510   2.326   4.559
  236   1HB   GLU  35          1HB       GLU  35  -9.277   2.616   3.279
  237   2HB   GLU  35          2HB       GLU  35 -10.021   1.718   1.987
  238   1HG   GLU  35          1HG       GLU  35 -11.447   4.022   3.096
  239   2HG   GLU  35          2HG       GLU  35 -10.018   4.418   2.239
  240    H    GLY  36           H        GLY  36 -10.752  -0.241   2.280
  241   1HA   GLY  36          1HA       GLY  36 -13.348  -1.596   2.377
  242   2HA   GLY  36          2HA       GLY  36 -13.091  -0.594   0.919
  243    H    ASN  37           H        ASN  37 -10.576  -2.440   2.776
  244    HA   ASN  37           HA       ASN  37 -10.504  -4.470   0.610
  245   1HB   ASN  37          1HB       ASN  37  -8.738  -2.321   0.428
  246   2HB   ASN  37          2HB       ASN  37  -7.809  -3.396   1.322
  247   1HD2  ASN  37          1HD2      ASN  37  -6.453  -3.228  -0.671
  248   2HD2  ASN  37          2HD2      ASN  37  -6.845  -4.360  -1.974
  249    HA   PRO  38           HA       PRO  38  -9.956  -6.025   4.990
  250   1HB   PRO  38          1HB       PRO  38 -11.979  -7.947   4.940
  251   2HB   PRO  38          2HB       PRO  38 -12.161  -6.278   5.518
  252   1HG   PRO  38          1HG       PRO  38 -13.150  -7.467   2.990
  253   2HG   PRO  38          2HG       PRO  38 -13.745  -6.054   3.893
  254   1HD   PRO  38          1HD       PRO  38 -12.045  -6.099   1.581
  255   2HD   PRO  38          2HD       PRO  38 -12.536  -4.669   2.527
  256    H    ASP  39           H        ASP  39  -9.769  -7.277   1.800
  257    HA   ASP  39           HA       ASP  39  -8.651  -9.906   2.475
  258   1HB   ASP  39          1HB       ASP  39  -9.992  -8.751   0.307
  259   2HB   ASP  39          2HB       ASP  39  -8.340  -8.811  -0.262
  260    H    LEU  40           H        LEU  40  -7.473  -6.696   2.038
  261    HA   LEU  40           HA       LEU  40  -4.866  -7.441   0.877
  262   1HB   LEU  40          1HB       LEU  40  -5.448  -5.305   0.168
  263   2HB   LEU  40          2HB       LEU  40  -6.344  -4.973   1.654
  264    HG   LEU  40           HG       LEU  40  -4.301  -4.689   2.869
  265   1HD1  LEU  40          1HD1      LEU  40  -2.680  -4.195   0.440
  266   2HD1  LEU  40          2HD1      LEU  40  -2.273  -4.995   2.022
  267   3HD1  LEU  40          3HD1      LEU  40  -3.066  -5.874   0.742
  268   1HD2  LEU  40          1HD2      LEU  40  -3.938  -2.590   2.498
  269   2HD2  LEU  40          2HD2      LEU  40  -4.131  -2.574   0.735
  270   3HD2  LEU  40          3HD2      LEU  40  -5.534  -2.735   1.812
  271    H    VAL  41           H        VAL  41  -2.933  -7.411   2.185
  272    HA   VAL  41           HA       VAL  41  -3.233  -7.149   5.042
  273    HB   VAL  41           HB       VAL  41  -2.418  -9.295   5.540
  274   1HG1  VAL  41          1HG1      VAL  41  -4.859  -9.268   5.245
  275   2HG1  VAL  41          2HG1      VAL  41  -4.653  -9.833   3.553
  276   3HG1  VAL  41          3HG1      VAL  41  -4.134 -10.832   4.898
  277   1HG2  VAL  41          1HG2      VAL  41  -1.449  -9.540   2.878
  278   2HG2  VAL  41          2HG2      VAL  41  -1.228 -10.607   4.240
  279   3HG2  VAL  41          3HG2      VAL  41  -2.561 -10.893   3.154
  280    H    GLN  42           H        GLN  42  -1.066  -6.790   5.958
  281    HA   GLN  42           HA       GLN  42   1.001  -5.808   4.109
  282   1HB   GLN  42          1HB       GLN  42   0.439  -4.648   6.292
  283   2HB   GLN  42          2HB       GLN  42   1.005  -6.082   7.143
  284   1HG   GLN  42          1HG       GLN  42   2.929  -4.760   7.170
  285   2HG   GLN  42          2HG       GLN  42   3.257  -5.734   5.764
  286   1HE2  GLN  42          1HE2      GLN  42   4.142  -4.384   3.996
  287   2HE2  GLN  42          2HE2      GLN  42   3.625  -2.721   3.876
  288    H    VAL  43           H        VAL  43   1.264  -7.900   3.030
  289    HA   VAL  43           HA       VAL  43   2.241 -10.207   4.246
  290    HB   VAL  43           HB       VAL  43   3.479 -10.444   1.941
  291   1HG1  VAL  43          1HG1      VAL  43   0.492 -10.120   1.876
  292   2HG1  VAL  43          2HG1      VAL  43   1.511 -11.317   1.003
  293   3HG1  VAL  43          3HG1      VAL  43   1.294 -11.444   2.730
  294   1HG2  VAL  43          1HG2      VAL  43   2.686  -9.015   0.161
  295   2HG2  VAL  43          2HG2      VAL  43   1.584  -8.164   1.274
  296   3HG2  VAL  43          3HG2      VAL  43   3.310  -7.964   1.415
  297    H    HIS  44           H        HIS  44   3.969  -7.308   3.088
  298    HA   HIS  44           HA       HIS  44   5.909  -7.519   5.123
  299   1HB   HIS  44          1HB       HIS  44   7.823  -8.031   3.956
  300   2HB   HIS  44          2HB       HIS  44   6.726  -9.304   3.538
  301    HD1  HIS  44           HD1      HIS  44   5.592  -8.871   0.845
  302    HD2  HIS  44           HD2      HIS  44   9.139  -6.985   2.100
  303    HE1  HIS  44           HE1      HIS  44   6.905  -8.260  -1.270
  304    H    GLU  45           H        GLU  45   7.428  -5.685   4.929
  305    HA   GLU  45           HA       GLU  45   6.261  -3.264   3.790
  306   1HB   GLU  45          1HB       GLU  45   6.581  -3.337   6.240
  307   2HB   GLU  45          2HB       GLU  45   8.342  -3.592   6.010
  308   1HG   GLU  45          1HG       GLU  45   8.582  -1.375   5.018
  309   2HG   GLU  45          2HG       GLU  45   6.868  -1.254   4.782
  310    H    GLY  46           H        GLY  46   7.214  -4.566   1.759
  311   1HA   GLY  46          1HA       GLY  46   9.662  -3.185   1.084
  312   2HA   GLY  46          2HA       GLY  46   9.843  -4.961   1.127
  313    HA   PRO  47           HA       PRO  47   7.378  -3.353  -2.650
  314   1HB   PRO  47          1HB       PRO  47   9.337  -2.807  -4.505
  315   2HB   PRO  47          2HB       PRO  47   8.541  -1.637  -3.430
  316   1HG   PRO  47          1HG       PRO  47  11.298  -2.727  -3.246
  317   2HG   PRO  47          2HG       PRO  47  10.643  -1.194  -2.613
  318   1HD   PRO  47          1HD       PRO  47  11.131  -3.600  -1.193
  319   2HD   PRO  47          2HD       PRO  47  10.295  -2.154  -0.605
  320    H    CYS  48           H        CYS  48   6.801  -4.692  -4.390
  321    HA   CYS  48           HA       CYS  48   8.073  -7.345  -4.451
  322   1HB   CYS  48          1HB       CYS  48   5.298  -6.458  -5.006
  323   2HB   CYS  48          2HB       CYS  48   5.887  -7.690  -6.077
  324    H    ASP  49           H        ASP  49   6.712  -5.206  -6.980
  325    HA   ASP  49           HA       ASP  49   8.094  -6.290  -9.125
  326   1HB   ASP  49          1HB       ASP  49   6.599  -3.724  -8.608
  327   2HB   ASP  49          2HB       ASP  49   7.640  -3.760 -10.011
  328    H    GLU  50           H        GLU  50   8.650  -2.997  -8.042
  329    HA   GLU  50           HA       GLU  50  11.418  -2.875  -8.927
  330   1HB   GLU  50          1HB       GLU  50  11.336  -0.606  -8.101
  331   2HB   GLU  50          2HB       GLU  50   9.851  -0.926  -8.998
  332   1HG   GLU  50          1HG       GLU  50   8.578  -0.392  -7.200
  333   2HG   GLU  50          2HG       GLU  50   9.372  -1.580  -6.219
  334    H    HIS  51           H        HIS  51  12.929  -1.751  -7.156
  335    HA   HIS  51           HA       HIS  51  12.782  -3.013  -4.580
  336   1HB   HIS  51          1HB       HIS  51  13.564  -4.882  -6.001
  337   2HB   HIS  51          2HB       HIS  51  14.938  -3.904  -6.535
  338    HD1  HIS  51           HD1      HIS  51  13.483  -4.931  -3.044
  339    HD2  HIS  51           HD2      HIS  51  17.049  -4.379  -5.215
  340    HE1  HIS  51           HE1      HIS  51  15.408  -5.539  -1.462
  341    H    ASP  52           H        ASP  52  12.553  -0.572  -4.374
  342    HA   ASP  52           HA       ASP  52  14.693   1.113  -4.912
  343   1HB   ASP  52          1HB       ASP  52  13.788   2.651  -3.484
  344   2HB   ASP  52          2HB       ASP  52  12.372   1.716  -3.939
  345    H    HIS  53           H        HIS  53  16.337   1.991  -3.500
  346    HA   HIS  53           HA       HIS  53  17.218   0.475  -1.220
  347   1HB   HIS  53          1HB       HIS  53  18.225  -0.310  -3.820
  348   2HB   HIS  53          2HB       HIS  53  19.546   0.448  -2.958
  349    HD1  HIS  53           HD1      HIS  53  17.512  -2.735  -2.993
  350    HD2  HIS  53           HD2      HIS  53  20.083  -0.624  -0.411
  351    HE1  HIS  53           HE1      HIS  53  18.422  -4.427  -1.338
  352    H    ASP  54           H        ASP  54  16.242   2.962  -1.271
  353    HA   ASP  54           HA       ASP  54  18.302   5.038  -1.546
  354   1HB   ASP  54          1HB       ASP  54  15.446   4.963  -0.554
  355   2HB   ASP  54          2HB       ASP  54  16.508   6.262  -0.021
  356    H    PHE  55           H        PHE  55  19.057   6.346   0.396
  357    HA   PHE  55           HA       PHE  55  19.009   5.224   3.008
  358   1HB   PHE  55          2HB       PHE  55  21.449   4.745   3.126
  359   2HB   PHE  55          1HB       PHE  55  20.540   3.597   2.163
  360    HD1  PHE  55           HD1      PHE  55  20.742   3.547  -0.305
  361    HD2  PHE  55           HD2      PHE  55  23.143   6.197   2.081
  362    HE1  PHE  55           HE1      PHE  55  22.154   4.019  -2.283
  363    HE2  PHE  55           HE2      PHE  55  24.636   6.600   0.137
  364    HZ   PHE  55           HZ       PHE  55  24.141   5.525  -2.063