*HEADER    TRANSFERASE                             31-MAR-97   3HCK      
*TITLE     NMR ENSEMBLE OF THE UNCOMPLEXED HUMAN HCK SH2 DOMAIN,         
*TITLE    2 20 STRUCTURES                                                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: HCK SH2;                                           
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: SH2, RESIDUES 119 - 224 OF HUMAN HCK;              
*COMPND   5 EC: 2.7.1.112:;                                              
*COMPND   6 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS;                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET-14B;                          
*SOURCE   7 EXPRESSION_SYSTEM_GENE: RESIDUES E119-K224 OF HUMAN HCK      
*KEYWDS    HCK, SH2, TYROSINE KINASE, SIGNAL TRANSDUCTION, TRANSFERASE   
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    W.ZHANG,T.E.SMITHGALL,W.H.GMEINER                             
*REVDAT   1   12-OCT-04 3HCK    0   

  2 GLU- 
         HA      2 GLU- QG      3.50                
         HA      3 THR  HN      3.50                
         QB      3 THR  HN      4.20                
         QB      3 THR  HA      6.00                
         QG      3 THR  HN      5.00                
  3 THR  
         HN      3 THR  HB      4.20                
         HN      4 GLU- HN      5.00                
         HN      4 GLU- HA      6.00                
         HA      3 THR  QG2     3.00                
         HA      4 GLU- HN      3.50                
         HA      4 GLU- QB      6.00                
         HB      4 GLU- HN      4.20                
         QG2     4 GLU- HN      5.00                
  4 GLU- 
         HN      4 GLU- QB      3.50                
         HN      4 GLU- QG      5.00                
         HN      5 GLU- HN      5.00                
         HA      4 GLU- QG      3.50                
         HA      5 GLU- HN      3.00                
         HA      6 TRP  HN      5.00                
         HA      6 TRP  HE1     6.00                
         QB      5 GLU- HN      4.20                
         QB      5 GLU- HA      5.00                
         QB      6 TRP  HN      5.00                
         QB      6 TRP  HE1     5.00                
         QB      7 PHE  HN      6.00                
         QG      6 TRP  HE1     5.00                
         QG      6 TRP  HZ2     6.00                
  5 GLU- 
         HN      5 GLU- QB      3.50                
         HN      5 GLU- QG      4.20                
         HN      6 TRP  HN      3.50                
         HN      7 PHE  HN      5.00                
         HA      5 GLU- QG      3.00                
         HA      6 TRP  HN      3.00                
         HA      7 PHE  HN      3.50                
         QB      7 PHE  HN      6.00                
         QG      6 TRP  HN      5.00                
         QG      7 PHE  HN      6.00                
  6 TRP  
         HN      6 TRP  HB3     3.00                
         HN      6 TRP  HD1     3.50                
         HN      6 TRP  HE3     5.00                
         HN      6 TRP  HE1     5.00                
         HN      7 PHE  HN      3.00                
         HN      7 PHE  HA      5.00                
         HN      7 PHE  HB2     5.00                
         HN      7 PHE  HB3     5.00                
         HN    102 PRO  QB      5.00                
         HA      6 TRP  HB2     3.00                
         HA      6 TRP  HB3     3.00                
         HA     31 MET  HA      4.20                
         HA    102 PRO  HA      5.00                
         HA    102 PRO  QB      3.50                
         HB2     7 PHE  HN      4.20                
         HB2    32 ILE  HN      5.00                
         HB2   102 PRO  QB      5.00                
         HB3    32 ILE  HN      6.00                
         HD1    85 VAL  QG1     6.00                
         HD1   102 PRO  HG3     5.00                
         HE3     7 PHE  HN      6.00                
         HE3     7 PHE  HA      4.20                
         HE3    32 ILE  HN      5.00                
         HE3    32 ILE  HB      4.20                
         HE3    32 ILE  QG2     6.00                
         HE3    32 ILE  QD1     5.00                
         HE1    82 GLN  HA      5.00                
         HE1    82 GLN  QE2     3.50                
         HE1    85 VAL  QG1     5.00                
         HE1    85 VAL  QG2     6.00                
         HZ3    32 ILE  HB      4.20                
         HZ3    32 ILE  QG2     5.00                
         HZ3    32 ILE  QD1     6.00                
         HZ3    81 LEU  QD1     6.00                
         HZ2    82 GLN  HN      5.00                
         HZ2    82 GLN  HA      3.50                
         HZ2    82 GLN  HB2     4.20                
         HZ2    82 GLN  HB3     6.00                
         HZ2    82 GLN  QG      6.00                
         HZ2    85 VAL  HB      6.00                
         HZ2    85 VAL  QG2     6.00                
         HH2    32 ILE  QD1     6.00                
         HH2    81 LEU  HA      6.00                
         HH2    81 LEU  HB2     3.50                
         HH2    81 LEU  HB3     3.50                
         HH2    81 LEU  QD1     5.00                
         HH2    82 GLN  HN      5.00                
         HH2    82 GLN  HA      5.00                
         O      32 ILE  N       3.30                
         O      32 ILE  HN      2.40                
  7 PHE  
         HN      7 PHE  HB2     3.00                
         HN      7 PHE  HB3     3.00                
         HN      8 PHE  HN      5.00                
         HA      7 PHE  HB2     3.00                
         HA      8 PHE  HN      2.50                
         HA     32 ILE  HN      3.00                
         HA     32 ILE  HB      3.50                
         HA     32 ILE  QG2     5.00                
         HB2     8 PHE  HN      4.20                
         QD      8 PHE  HN      4.20                
         QD      9 LYS+ HN      6.00                
         QD     32 ILE  HB      6.00                
         QD     33 ARG+ HA      5.00                
         QE      9 LYS+ HA      5.00                
  8 PHE  
         N      32 ILE  O       3.30                
         HN      8 PHE  HB2     3.00                
         HN      9 LYS+ HN      5.00                
         HN     31 MET  QB      6.00                
         HN     32 ILE  HN      4.20                
         HN     32 ILE  HB      5.00                
         HN     32 ILE  QG2     6.00                
         HN     32 ILE  O       2.40                
         HN     33 ARG+ HA      3.50                
         HN     33 ARG+ HB3     5.00                
         HA      8 PHE  HB3     3.00                
         HA      9 LYS+ HN      2.50                
         HA      9 LYS+ QG      6.00                
         HA      9 LYS+ QD      5.00                
         HB2     9 LYS+ HN      4.20                
         HB3     9 LYS+ HN      3.50                
         HB3    11 ILE  QG2     6.00                
         HB3    31 MET  QE      6.00                
         QD      9 LYS+ HN      6.00                
         QD     11 ILE  QG2     6.00                
         QD     11 ILE  QD1     6.00                
         QD     31 MET  QE      6.00                
         QD     32 ILE  HN      6.00                
  9 LYS+ 
         HN      9 LYS+ QB      3.50                
         HN      9 LYS+ QG      4.20                
         HN      9 LYS+ QD      5.00                
         HN      9 LYS+ QE      6.00                
         HN     10 GLY  HN      5.00                
         HA      9 LYS+ QD      5.00                
         HA      9 LYS+ QE      5.00                
         HA     10 GLY  HN      3.00                
         HA     10 GLY  QA      5.00                
         HA     11 ILE  HN      5.00                
         HA     33 ARG+ HA      6.00                
         QB     10 GLY  HN      3.50                
         QB     10 GLY  QA      6.00                
         QG     10 GLY  HN      4.20                
         QG     10 GLY  QA      6.00                
         QD     10 GLY  HN      6.00                
 10 GLY  
         HN     11 ILE  HN      4.20                
         HN     34 ASP- HN      6.00                
         HN     34 ASP- QB      6.00                
         QA     11 ILE  HA      5.00                
 11 ILE  
         HN     11 ILE  HB      3.00                
         HN     11 ILE  QG2     4.20                
         HN     11 ILE  HG12    5.00                
         HN     11 ILE  HG13    4.20                
         HN     11 ILE  QD1     6.00                
         HN     12 SER  HN      5.00                
         HA     11 ILE  HB      3.00                
         HA     11 ILE  HG12    4.20                
         HA     11 ILE  HG13    4.20                
         HA     12 SER  HN      3.00                
         HA     12 SER  HA      5.00                
         HA     15 ASP- HB2     5.00                
         HA     15 ASP- HB3     5.00                
         HB     12 SER  HN      4.20                
         QG2    12 SER  HN      4.20                
         QG2    16 ALA  HN      5.00                
         QG2    16 ALA  HA      6.00                
         QG2    16 ALA  QB      4.20                
         QG2    19 GLN  HE21    6.00                
         QG2    19 GLN  HE22    6.00                
         QG2    33 ARG+ HE      6.00                
         HG12   12 SER  HN      4.20                
         HG13   12 SER  HN      5.00                
         QD1    12 SER  HN      5.00                
         QD1    15 ASP- HB2     6.00                
         QD1    16 ALA  HN      6.00                
         QD1    16 ALA  HA      5.00                
         QD1    16 ALA  QB      5.00                
         QD1    19 GLN  HG3     6.00                
         QD1    19 GLN  HE21    4.20                
         QD1    19 GLN  HE22    4.20                
         QD1    31 MET  QE      5.00                
 12 SER  
         HN     12 SER  HB2     4.20                
         HN     12 SER  HB3     3.00                
         HN     15 ASP- HN      5.00                
         HN     15 ASP- HB2     3.00                
         HN     15 ASP- HB3     4.20                
         HN     16 ALA  HN      5.00                
         HA     12 SER  HB2     3.00                
         HA     12 SER  HB3     3.00                
         HA     13 ARG+ HN      3.00                
         HA     13 ARG+ HB2     5.00                
         HA     13 ARG+ HB3     6.00                
         HB2    13 ARG+ HN      3.00                
         HB2    14 LYS+ HN      5.00                
         HB3    13 ARG+ HN      4.20                
         HB3    14 LYS+ HN      6.00                
         O      16 ALA  N       3.30                
         O      16 ALA  HN      2.40                
 13 ARG+ 
         HN     13 ARG+ HB2     3.00                
         HN     13 ARG+ HB3     3.00                
         HN     13 ARG+ HG2     5.00                
         HN     13 ARG+ HG3     5.00                
         HN     13 ARG+ QD      6.00                
         HN     14 LYS+ HN      3.00                
         HN     15 ASP- HN      5.00                
         HA     13 ARG+ HB2     3.00                
         HA     13 ARG+ HG2     3.50                
         HA     13 ARG+ HG3     4.20                
         HA     13 ARG+ QD      5.00                
         HA     14 LYS+ HN      3.50                
         HA     16 ALA  HN      4.20                
         HA     16 ALA  QB      4.20                
         HA     17 GLU- HN      5.00                
         HG3    14 LYS+ HA      6.00                
         QD     14 LYS+ HN      6.00                
         QD     14 LYS+ HA      4.20                
         HE     14 LYS+ HN      6.00                
         O      17 GLU- N       3.30                
         O      17 GLU- HN      2.40                
 14 LYS+ 
         HN     14 LYS+ QB      3.50                
         HN     14 LYS+ QG      3.50                
         HN     15 ASP- HN      3.00                
         HN     16 ALA  HN      5.00                
         HA     15 ASP- HN      3.50                
         HA     16 ALA  HN      5.00                
         HA     17 GLU- HN      3.50                
         HA     17 GLU- HB2     3.50                
         HA     17 GLU- HB3     5.00                
         QB     15 ASP- HN      4.20                
         QG     15 ASP- HN      5.00                
         O      18 ARG+ N       3.30                
         O      18 ARG+ HN      2.40                
 15 ASP- 
         HN     15 ASP- HB2     3.00                
         HN     16 ALA  HN      3.00                
         HN     16 ALA  QB      6.00                
         HN     17 GLU- HN      4.20                
         HA     15 ASP- HB3     3.00                
         HA     16 ALA  HN      3.50                
         HA     17 GLU- HN      5.00                
         HA     18 ARG+ HN      4.20                
         HA     18 ARG+ QB      4.20                
         HA     18 ARG+ QG      5.00                
         HB2    16 ALA  HN      3.00                
         HB2    16 ALA  QB      6.00                
         HB2    17 GLU- HN      6.00                
         HB2    18 ARG+ HN      6.00                
         HB3    16 ALA  HN      4.20                
         HB3    19 GLN  HE21    5.00                
         O      19 GLN  N       3.30                
         O      19 GLN  HN      2.40                
 16 ALA  
         HN     16 ALA  QB      3.00                
         HN     17 GLU- HN      3.00                
         HN     18 ARG+ HN      5.00                
         HA     17 GLU- HN      3.50                
         HA     19 GLN  HN      3.50                
         HA     19 GLN  QB      4.20                
         HA     19 GLN  HG2     5.00                
         HA     20 LEU  HN      5.00                
         HA     20 LEU  QD1     6.00                
         HA     31 MET  QE      5.00                
         QB     17 GLU- HN      4.20                
         QB     17 GLU- HA      6.00                
         QB     18 ARG+ HN      6.00                
         QB     19 GLN  HN      6.00                
         QB     20 LEU  QD1     6.00                
         QB     31 MET  QG      6.00                
         QB     31 MET  QE      5.00                
         QB     33 ARG+ QD      5.00                
         QB     33 ARG+ HE      4.20                
         QB     45 SER  HB3     6.00                
         O      20 LEU  N       3.30                
         O      20 LEU  HN      2.40                
 17 GLU- 
         HN     17 GLU- HB2     3.00                
         HN     17 GLU- HB3     4.20                
         HN     17 GLU- HG2     4.20                
         HN     17 GLU- HG3     3.50                
         HN     18 ARG+ HN      3.00                
         HN     18 ARG+ QB      6.00                
         HN     19 GLN  HN      5.00                
         HA     17 GLU- HB3     3.00                
         HA     17 GLU- HG2     3.00                
         HA     17 GLU- HG3     3.50                
         HA     18 ARG+ HN      3.50                
         HA     20 LEU  HN      4.20                
         HA     20 LEU  HB2     4.20                
         HA     20 LEU  QD1     5.00                
         HA     57 VAL  QG1     5.00                
         HA     57 VAL  QG2     4.20                
         HB2    18 ARG+ HN      3.50                
         HB2    18 ARG+ HA      5.00                
         HB2    59 HIS  HE1     6.00                
         HG2    57 VAL  HB      5.00                
         HG2    57 VAL  QG1     5.00                
         HG2    57 VAL  QG2     5.00                
         HG2    59 HIS  HE1     4.20                
         HG3    57 VAL  QG1     6.00                
         HG3    59 HIS  HE1     4.20                
         O      21 LEU  N       3.30                
         O      21 LEU  HN      2.40                
 18 ARG+ 
         HN     18 ARG+ QB      3.50                
         HN     19 GLN  HN      3.00                
         HA     18 ARG+ QD      5.00                
         HA     19 GLN  HN      3.50                
         HA     21 LEU  HN      4.20                
         HA     21 LEU  HB2     3.50                
         HA     21 LEU  HB3     5.00                
         HA     21 LEU  QD1     6.00                
 19 GLN  
         HN     19 GLN  QB      3.50                
         HN     19 GLN  QG      3.00                
         HN     20 LEU  HN      3.00                
         HA     19 GLN  HG2     4.20                
         HA     20 LEU  HN      3.50                
         HA     22 ALA  HN      3.50                
         HA     22 ALA  QB      5.00                
         QB     19 GLN  HE21    4.20                
         QB     19 GLN  HE22    5.00                
         QB     20 LEU  HN      4.20                
         QB     31 MET  QE      5.00                
         HG2    20 LEU  HN      6.00                
         HG3    20 LEU  HN      5.00                
         HG3    31 MET  QE      5.00                
         HE21   31 MET  QE      5.00                
         HE22   31 MET  QE      5.00                
 20 LEU  
         HN     20 LEU  HB2     2.50                
         HN     20 LEU  HG      4.20                
         HN     20 LEU  QD1     5.00                
         HN     20 LEU  QD2     6.00                
         HN     21 LEU  HN      3.00                
         HN     22 ALA  HN      4.20                
         HN     31 MET  QE      6.00                
         HA     20 LEU  HB3     3.00                
         HA     20 LEU  HG      3.50                
         HA     20 LEU  QD1     6.00                
         HA     20 LEU  QD2     5.00                
         HA     22 ALA  HN      5.00                
         HA     25 ASN  HD21    4.20                
         HA     25 ASN  HD22    4.20                
         HA     31 MET  QE      6.00                
         HB2    20 LEU  QD1     3.50                
         HB2    21 LEU  HN      3.50                
         HB2    57 VAL  QG2     5.00                
         HB3    21 LEU  HN      4.20                
         HB3    57 VAL  QG2     6.00                
         QD1    30 PHE  HA      6.00                
         QD1    31 MET  HN      6.00                
         QD1    31 MET  QB      6.00                
         QD1    31 MET  QG      5.00                
         QD1    31 MET  QE      6.00                
         QD1    45 SER  HN      6.00                
         QD1    45 SER  HA      6.00                
         QD1    45 SER  HB2     4.20                
         QD1    45 SER  HB3     5.00                
         QD1    46 VAL  HN      6.00                
         QD1    46 VAL  HA      5.00                
         QD1    47 ARG+ HA      6.00                
         QD1    57 VAL  HB      6.00                
         QD1    57 VAL  QG1     4.20                
         QD2    25 ASN  HD21    6.00                
         QD2    25 ASN  HD22    6.00                
         QD2    26 MET  HN      6.00                
         QD2    29 SER  HN      6.00                
         QD2    29 SER  HA      6.00                
         QD2    30 PHE  HN      6.00                
         QD2    30 PHE  HA      5.00                
         QD2    31 MET  QE      6.00                
         QD2   103 CYS  HA      6.00                
 21 LEU  
         HN     21 LEU  HB2     3.00                
         HN     21 LEU  QD1     5.00                
         HN     21 LEU  QD2     6.00                
         HN     22 ALA  HN      3.00                
         HN     22 ALA  QB      6.00                
         HN     57 VAL  QG2     5.00                
         HA     21 LEU  HB3     3.00                
         HA     21 LEU  QD1     5.00                
         HA     21 LEU  QD2     3.50                
         HA     22 ALA  HN      3.50                
         HA     47 ARG+ QD      6.00                
         HA     47 ARG+ HE      5.00                
         HB2    22 ALA  HN      3.50                
         HB2    57 VAL  QG2     6.00                
         HB3    21 LEU  QD2     3.50                
         HB3    22 ALA  HN      4.20                
         QD1    57 VAL  HN      6.00                
         QD2    47 ARG+ QD      6.00                
         QD2    47 ARG+ HE      5.00                
         QD2    55 ASP- HB2     5.00                
         QD2    55 ASP- HB3     5.00                
         QD2    56 THR  HN      6.00                
         QD2    56 THR  HA      6.00                
 22 ALA  
         HN     22 ALA  QB      3.00                
         HN     23 PRO  HD2     5.00                
         HA     23 PRO  HB2     6.00                
         HA     23 PRO  HB3     6.00                
         HA     23 PRO  QG      5.00                
         HA     23 PRO  HD2     3.00                
         HA     23 PRO  HD3     2.50                
         QB     23 PRO  QG      6.00                
         QB     23 PRO  QD      4.20                
         QB     25 ASN  HN      6.00                
         QB     25 ASN  HD21    4.20                
         QB     25 ASN  HD22    5.00                
 23 PRO  
         HA     24 GLY  HN      3.50                
         HA     25 ASN  HN      4.20                
         HB2    24 GLY  HN      4.20                
 24 GLY  
         HN     25 ASN  HN      3.50                
         HA2    25 ASN  HN      3.50                
 25 ASN  
         HN     25 ASN  HB2     3.00                
         HN     25 ASN  HB3     4.20                
         HN     26 MET  HN      5.00                
         HA     25 ASN  HB3     3.00                
         HA     26 MET  HN      3.00                
         HA     26 MET  QG      5.00                
         HB2    26 MET  HN      4.20                
         HB3    26 MET  HN      3.50                
         QB     26 MET  HA      5.00                
         HD21  103 CYS  HA      6.00                
         HD21  104 MET  HN      5.00                
         HD22  103 CYS  HA      5.00                
         HD22  104 MET  HN      3.50                
         HD22  104 MET  QB      5.00                
         HD22  104 MET  QG      5.00                
 26 MET  
         HN     26 MET  QB      3.50                
         HN     26 MET  QG      3.50                
         HN     27 LEU  HN      5.00                
         HN     29 SER  HN      5.00                
         HN     29 SER  HA      5.00                
         HN     29 SER  HB2     3.50                
         HN     29 SER  HB3     4.20                
         HA     27 LEU  HN      2.50                
         HA     27 LEU  QB      6.00                
         HA     47 ARG+ HE      6.00                
         QB     27 LEU  HN      3.50                
         QG     27 LEU  HN      4.20                
         QG     29 SER  HN      6.00                
         O      29 SER  N       3.30                
         O      29 SER  HN      2.40                
 27 LEU  
         HN     27 LEU  QB      3.00                
         HN     27 LEU  HG      4.20                
         HN     27 LEU  QD2     5.00                
         HN     28 GLY  HN      5.00                
         HA     27 LEU  QD1     5.00                
         HA     27 LEU  QD2     4.20                
         HA     28 GLY  HN      3.00                
         HA     28 GLY  HA1     5.00                
         HA     28 GLY  HA2     5.00                
         HA     29 SER  HN      4.20                
         HA     47 ARG+ HN      6.00                
         HA     47 ARG+ HB3     4.20                
         HA     47 ARG+ HE      5.00                
         QB     28 GLY  HN      5.00                
         QB     29 SER  HN      6.00                
         HG     48 ASP- HA      5.00                
         QD1    48 ASP- HN      6.00                
         QD1    48 ASP- HA      6.00                
         QD1    49 TYR  HN      5.00                
         QD2    28 GLY  HN      6.00                
         QD2    28 GLY  HA1     6.00                
         QD2    47 ARG+ HE      6.00                
         QD2    48 ASP- HA      5.00                
         QD2    49 TYR  HN      4.20                
         QD2    49 TYR  HA      6.00                
         QD2    49 TYR  HB2     5.00                
         QD2    49 TYR  HB3     5.00                
         QD2    49 TYR  QD      6.00                
         QD2    97 GLN  HE21    5.00                
         QD2    97 GLN  HE22    5.00                
 28 GLY  
         HN     29 SER  HN      3.50                
         HN     46 VAL  QG1     6.00                
         HN     47 ARG+ HB2     5.00                
         HN     47 ARG+ HB3     6.00                
         HN     48 ASP- HA      6.00                
         HA1    46 VAL  QG1     5.00                
         HA1    99 LEU  HA      6.00                
         HA1   100 SER  HN      5.00                
         HA2    99 LEU  HA      6.00                
         HA2   100 SER  HN      4.20                
         O     100 SER  N       3.30                
         O     100 SER  HN      2.40                
 29 SER  
         HN     29 SER  HB2     3.00                
         HN     29 SER  HB3     4.20                
         HN     30 PHE  HN      5.00                
         HN     46 VAL  QG1     6.00                
         HN     47 ARG+ HN      4.20                
         HN     47 ARG+ HB2     5.00                
         HN     47 ARG+ HB3     3.50                
         HN     47 ARG+ QG      6.00                
         HN     47 ARG+ QD      6.00                
         HA     29 SER  HB3     3.00                
         HA     30 PHE  HN      2.50                
         HA     30 PHE  HA      5.00                
         HA     30 PHE  HB3     5.00                
         HA    100 SER  HN      5.00                
         HA    101 VAL  HN      3.50                
         HA    101 VAL  QG2     5.00                
         HA    102 PRO  HA      5.00                
         HA    103 CYS  HN      5.00                
         HB2    30 PHE  HN      4.20                
         HB2    47 ARG+ HN      6.00                
         HB3    30 PHE  HN      3.50                
         O      47 ARG+ N       3.30                
         O      47 ARG+ HN      2.40                
 30 PHE  
         N     101 VAL  O       3.30                
         HN     30 PHE  HB3     3.50                
         HN     31 MET  HN      5.00                
         HN     99 LEU  QD2     6.00                
         HN    101 VAL  HN      4.20                
         HN    101 VAL  QG2     6.00                
         HN    101 VAL  O       2.40                
         HN    102 PRO  HA      3.50                
         HN    103 CYS  HN      4.20                
         HA     30 PHE  HB2     3.00                
         HA     30 PHE  HB3     3.00                
         HA     31 MET  HN      2.50                
         HA     31 MET  HA      5.00                
         HA     31 MET  QB      6.00                
         HA     31 MET  QG      5.00                
         HA     45 SER  HN      5.00                
         HA     46 VAL  HA      2.50                
         HA     46 VAL  HB      5.00                
         HA     46 VAL  QG2     5.00                
         HA     47 ARG+ HN      3.50                
         HA     99 LEU  QD2     6.00                
         HB2    31 MET  HN      3.00                
         HB2    46 VAL  HA      4.20                
         HB3    31 MET  HN      4.20                
         QB     46 VAL  QG2     4.20                
         QB    100 SER  HN      6.00                
         QD     31 MET  HN      6.00                
         O     103 CYS  N       3.30                
         O     103 CYS  HN      2.40                
 31 MET  
         N      45 SER  O       3.30                
         HN     31 MET  QB      3.50                
         HN     31 MET  QG      4.20                
         HN     32 ILE  HN      5.00                
         HN     44 LEU  HA      5.00                
         HN     45 SER  HN      3.50                
         HN     45 SER  HB2     4.20                
         HN     45 SER  O       2.40                
         HN     46 VAL  HA      3.50                
         HN     46 VAL  QG2     6.00                
         HA     32 ILE  HN      2.50                
         HA     45 SER  HN      5.00                
         HA    103 CYS  HN      5.00                
         QB     32 ILE  HN      4.20                
         QB     45 SER  HN      6.00                
         QG     32 ILE  HN      5.00                
         QG     45 SER  HN      5.00                
         QE    103 CYS  HA      6.00                
         QE    103 CYS  HB3     6.00                
         O      45 SER  N       3.30                
         O      45 SER  HN      2.40                
 32 ILE  
         HN     32 ILE  HB      3.00                
         HN     32 ILE  HG12    5.00                
         HN     32 ILE  HG13    5.00                
         HN     32 ILE  QD1     5.00                
         HN     33 ARG+ HN      5.00                
         HA     32 ILE  HB      3.00                
         HA     32 ILE  HG12    3.50                
         HA     32 ILE  HG13    4.20                
         HA     33 ARG+ HN      2.50                
         HA     33 ARG+ HA      5.00                
         HA     43 SER  HN      5.00                
         HA     44 LEU  HA      2.50                
         HA     44 LEU  QD1     6.00                
         HA     45 SER  HN      3.50                
         QG2    32 ILE  HG12    3.50                
         QG2    33 ARG+ HN      3.50                
         QG2    33 ARG+ HA      5.00                
         QG2    42 TYR  HB2     6.00                
         QG2    42 TYR  HB3     5.00                
         QG2    42 TYR  QD      6.00                
         QG2    42 TYR  QE      6.00                
         QG2    43 SER  HN      5.00                
         QG2    44 LEU  HA      6.00                
         QG2    81 LEU  QD1     5.00                
         QG2    81 LEU  QD2     6.00                
         HG12   44 LEU  HA      3.50                
         HG12   45 SER  HN      6.00                
         HG13   44 LEU  HA      4.20                
         HG13   45 SER  HN      6.00                
         HG13   62 ILE  QD1     6.00                
         QD1    44 LEU  HA      6.00                
         QD1    44 LEU  QD1     5.00                
         QD1    62 ILE  QD1     6.00                
         QD1    81 LEU  HA      6.00                
         QD1    81 LEU  QD1     6.00                
         QD1    81 LEU  QD2     5.00                
         QD1    85 VAL  HA      6.00                
         QD1    85 VAL  QG1     6.00                
         QD1    85 VAL  QG2     4.20                
 33 ARG+ 
         N      43 SER  O       3.30                
         HN     33 ARG+ HB2     4.20                
         HN     33 ARG+ HB3     4.20                
         HN     33 ARG+ QG      4.20                
         HN     34 ASP- HN      5.00                
         HN     43 SER  HN      3.50                
         HN     43 SER  O       2.40                
         HN     44 LEU  HA      3.50                
         HA     33 ARG+ HB2     3.00                
         HA     33 ARG+ HB3     3.00                
         HA     34 ASP- HN      3.00                
         HA     34 ASP- QB      6.00                
         HA     43 SER  HN      5.00                
         HB2    34 ASP- HN      3.50                
         HB2    43 SER  HN      6.00                
         HB3    34 ASP- HN      4.20                
         QG     34 ASP- HN      5.00                
         QG     43 SER  HN      5.00                
         QG     43 SER  HB2     5.00                
         QG     43 SER  HB3     6.00                
         HE     43 SER  HB2     4.20                
         O      43 SER  N       3.30                
         O      43 SER  HN      2.40                
 34 ASP- 
         HN     34 ASP- QB      3.50                
         HN     35 SER  HN      5.00                
         HA     35 SER  HN      2.50                
         HA     42 TYR  HA      2.50                
         HA     42 TYR  QD      4.20                
         HA     42 TYR  QE      6.00                
         HA     43 SER  HN      3.50                
         QB     35 SER  HN      4.20                
         QB     42 TYR  QE      6.00                
 35 SER  
         N      41 SER  O       3.30                
         HN     35 SER  HB2     3.00                
         HN     35 SER  HB3     3.00                
         HN     36 GLU- HN      5.00                
         HN     41 SER  HN      4.20                
         HN     41 SER  HB3     6.00                
         HN     41 SER  O       2.40                
         HN     42 TYR  HA      3.50                
         HN     42 TYR  HB3     6.00                
         HN     42 TYR  QD      5.00                
         HN     43 SER  HN      5.00                
         HA     35 SER  HB2     3.00                
         HA     36 GLU- HN      3.00                
         HA     37 THR  HN      5.00                
         HA     43 SER  HN      6.00                
         HB2    36 GLU- HN      4.20                
         HB2    37 THR  HN      6.00                
         HB2    38 THR  HN      5.00                
         HB3    36 GLU- HN      5.00                
         HB3    37 THR  HN      5.00                
         HB3    38 THR  HN      4.20                
         HB3    41 SER  HN      4.20                
         HB3    42 TYR  HA      5.00                
 36 GLU- 
         HN     36 GLU- HB2     3.50                
         HN     36 GLU- HB3     4.20                
         HN     36 GLU- QG      4.20                
         HN     37 THR  HN      3.50                
         HN     37 THR  QG2     6.00                
         QB     37 THR  HN      4.20                
         QG     37 THR  HN      5.00                
 37 THR  
         HN     37 THR  HB      4.20                
         HN     37 THR  QG2     4.20                
         HN     38 THR  HN      3.00                
         HN     38 THR  HB      6.00                
         HA     37 THR  HB      3.00                
         HA     39 LYS+ HN      5.00                
         HB     38 THR  HN      4.20                
 38 THR  
         HN     38 THR  HB      3.00                
         HN     39 LYS+ HN      5.00                
         HN     39 LYS+ QG      6.00                
         HA     39 LYS+ HN      2.50                
         HA     39 LYS+ QB      6.00                
         HB     39 LYS+ HN      5.00                
         QG2    39 LYS+ HN      5.00                
         QG2    41 SER  HN      5.00                
         O      41 SER  N       3.30                
         O      41 SER  HN      2.40                
 39 LYS+ 
         HN     39 LYS+ QB      3.50                
         HN     39 LYS+ QG      3.50                
         HN     39 LYS+ QD      6.00                
         HN     40 GLY  HN      5.00                
         HA     40 GLY  HN      2.50                
         HA     40 GLY  HA1     5.00                
         HA     40 GLY  HA2     5.00                
         HA     41 SER  HN      3.50                
         QB     40 GLY  HN      4.20                
         QB     41 SER  HN      6.00                
         QG     40 GLY  HN      5.00                
         QD     40 GLY  HN      5.00                
 40 GLY  
         HN     41 SER  HN      3.00                
         HA1    41 SER  HN      3.50                
         HA2    41 SER  HN      3.50                
 41 SER  
         HN     41 SER  HB2     3.00                
         HN     41 SER  HB3     4.20                
         HN     42 TYR  HN      5.00                
         HA     41 SER  HB3     3.00                
         HA     42 TYR  HN      2.50                
         HA     62 ILE  HN      6.00                
         HA     64 THR  HN      5.00                
         HB2    42 TYR  HN      4.20                
         HB3    42 TYR  HN      3.00                
 42 TYR  
         HN     42 TYR  HB2     3.00                
         HN     42 TYR  QD      4.20                
         HN     42 TYR  QE      6.00                
         HN     43 SER  HN      5.00                
         HN     62 ILE  HN      4.20                
         HN     62 ILE  HB      4.20                
         HN     62 ILE  QG2     6.00                
         HN     62 ILE  QD1     6.00                
         HN     64 THR  QG2     6.00                
         HA     42 TYR  HB3     3.00                
         HA     43 SER  HN      2.50                
         HA     62 ILE  QG2     6.00                
         HA     62 ILE  QD1     6.00                
         HB2    43 SER  HN      4.20                
         HB2    62 ILE  HN      6.00                
         HB2    62 ILE  QD1     4.20                
         HB3    43 SER  HN      3.00                
         HB3    62 ILE  HN      6.00                
         HB3    62 ILE  QD1     4.20                
         QD     43 SER  HN      5.00                
         QD     81 LEU  QD2     6.00                
         QE     81 LEU  QD1     6.00                
         O      62 ILE  N       3.30                
         O      62 ILE  HN      2.40                
 43 SER  
         HN     43 SER  HB2     3.00                
         HN     43 SER  HB3     4.20                
         HN     44 LEU  HN      5.00                
         HN     62 ILE  HB      5.00                
         HN     62 ILE  QD1     6.00                
         HA     43 SER  HB3     3.00                
         HA     44 LEU  HN      2.50                
         HA     61 LYS+ HA      2.50                
         HA     62 ILE  HN      3.50                
         HA     62 ILE  QD1     4.20                
         HB2    44 LEU  HN      4.20                
         HB3    44 LEU  HN      3.50                
         HB3    60 TYR  HN      6.00                
 44 LEU  
         N      60 TYR  O       3.30                
         HN     44 LEU  HB2     3.00                
         HN     44 LEU  HB3     3.00                
         HN     44 LEU  HG      5.00                
         HN     44 LEU  QD1     6.00                
         HN     44 LEU  QD2     6.00                
         HN     45 SER  HN      5.00                
         HN     59 HIS  HA      5.00                
         HN     60 TYR  HN      3.50                
         HN     60 TYR  HB2     4.20                
         HN     60 TYR  HB3     5.00                
         HN     60 TYR  O       2.40                
         HN     61 LYS+ HA      3.50                
         HN     62 ILE  HN      5.00                
         HN     62 ILE  QD1     5.00                
         HA     44 LEU  HB2     3.00                
         HA     44 LEU  HG      3.50                
         HA     44 LEU  QD1     3.50                
         HA     44 LEU  QD2     6.00                
         HA     45 SER  HN      2.50                
         HA     62 ILE  QD1     6.00                
         HB2    45 SER  HN      4.20                
         HB2    60 TYR  HN      5.00                
         HB2    60 TYR  HB2     6.00                
         HB2    62 ILE  QD1     4.20                
         HB3    44 LEU  QD2     3.50                
         HB3    45 SER  HN      5.00                
         HB3    60 TYR  HN      4.20                
         HB3    60 TYR  QD      5.00                
         HB3    62 ILE  QD1     5.00                
         HG     45 SER  HN      4.20                
         HG     60 TYR  HN      6.00                
         QD1    45 SER  HN      3.50                
         QD2    45 SER  HN      6.00                
         QD2    46 VAL  QG2     6.00                
         QD2    60 TYR  HN      6.00                
         QD2    60 TYR  HB3     6.00                
         QD2    60 TYR  QD      5.00                
         QD2    60 TYR  QE      6.00                
         QD2    62 ILE  QD1     5.00                
         QD2    95 LEU  QD1     5.00                
         QD2    95 LEU  QD2     6.00                
         O      60 TYR  N       3.30                
         O      60 TYR  HN      2.40                
 45 SER  
         HN     45 SER  HB2     3.00                
         HN     45 SER  HB3     4.20                
         HN     46 VAL  HN      5.00                
         HN     46 VAL  QG2     6.00                
         HA     45 SER  HB3     3.00                
         HA     46 VAL  HN      2.50                
         HA     46 VAL  HB      5.00                
         HA     46 VAL  QG2     6.00                
         HA     57 VAL  QG1     6.00                
         HA     58 LYS+ HN      6.00                
         HA     59 HIS  HA      2.50                
         HA     59 HIS  QB      5.00                
         HA     60 TYR  HN      3.50                
         HB2    57 VAL  QG1     6.00                
         HB3    57 VAL  QG1     5.00                
         QB     46 VAL  HN      4.20                
 46 VAL  
         N      58 LYS+ O       3.30                
         HN     46 VAL  HB      3.00                
         HN     57 VAL  QG1     4.20                
         HN     58 LYS+ HN      3.50                
         HN     58 LYS+ O       2.40                
         HN     59 HIS  HA      3.50                
         HN     60 TYR  HN      5.00                
         HA     47 ARG+ HN      2.50                
         HA     47 ARG+ HB2     5.00                
         HA     47 ARG+ HB3     6.00                
         HA     57 VAL  QG1     5.00                
         HB     47 ARG+ HN      5.00                
         HB     60 TYR  QD      6.00                
         HB     60 TYR  QE      6.00                
         QG1    47 ARG+ HN      4.20                
         QG1    47 ARG+ HA      6.00                
         QG2    47 ARG+ HN      5.00                
         QG2    60 TYR  QD      6.00                
         QG2    60 TYR  QE      6.00                
         QG2    99 LEU  QD1     6.00                
         O      58 LYS+ N       3.30                
         O      58 LYS+ HN      2.40                
 47 ARG+ 
         HN     47 ARG+ HB2     3.00                
         HN     47 ARG+ HB3     3.00                
         HN     47 ARG+ QG      5.00                
         HN     47 ARG+ QD      5.00                
         HN     48 ASP- HN      5.00                
         HN     57 VAL  QG1     6.00                
         HA     47 ARG+ HB2     3.00                
         HA     47 ARG+ QD      6.00                
         HA     48 ASP- HN      2.50                
         HA     48 ASP- HA      5.00                
         HA     48 ASP- HB3     6.00                
         HA     57 VAL  HA      2.50                
         HA     57 VAL  QG2     6.00                
         HA     58 LYS+ HN      3.50                
         HB2    47 ARG+ HE      5.00                
         HB2    48 ASP- HN      5.00                
         HB3    47 ARG+ HE      5.00                
         HB3    48 ASP- HN      4.20                
         QG     48 ASP- HN      4.20                
         QG     57 VAL  QG2     6.00                
         HE     48 ASP- HN      6.00                
 48 ASP- 
         N      56 THR  O       3.30                
         HN     48 ASP- HB2     3.50                
         HN     48 ASP- HB3     3.00                
         HN     49 TYR  HN      5.00                
         HN     56 THR  HN      3.50                
         HN     56 THR  QG2     6.00                
         HN     56 THR  O       2.40                
         HN     57 VAL  HA      3.50                
         HN     57 VAL  QG2     6.00                
         HN     58 LYS+ HN      5.00                
         HA     48 ASP- HB2     3.00                
         HA     49 TYR  HN      2.50                
         HA     49 TYR  HA      5.00                
         HA     56 THR  HN      5.00                
         HA     97 GLN  QG      6.00                
         HA     97 GLN  HE21    4.20                
         HA     97 GLN  HE22    4.20                
         HB2    58 LYS+ HN      6.00                
         HB2    58 LYS+ QG      6.00                
         QB     49 TYR  HN      4.20                
         O      56 THR  N       3.30                
         O      56 THR  HN      2.40                
 49 TYR  
         HN     49 TYR  HB2     3.00                
         HN     49 TYR  HB3     3.00                
         HN     50 ASP- HN      5.00                
         HN     50 ASP- HA      5.00                
         HN     56 THR  HN      5.00                
         HN     56 THR  QG2     6.00                
         HN     97 GLN  HE21    5.00                
         HN     97 GLN  HE22    4.20                
         HA     49 TYR  HB2     3.00                
         HA     49 TYR  QD      3.50                
         HA     49 TYR  QE      6.00                
         HA     50 ASP- HN      2.50                
         HA     54 GLY  HA1     6.00                
         HA     54 GLY  HA2     6.00                
         HA     55 ASP- HA      3.00                
         HA     55 ASP- HB3     6.00                
         HA     56 THR  HN      3.50                
         HA     56 THR  QG2     4.20                
         HB2    50 ASP- HN      4.20                
         HB2    55 ASP- HA      5.00                
         HB3    50 ASP- HN      5.00                
         QD     50 ASP- HN      4.20                
         QD     50 ASP- HA      6.00                
         QD     51 PRO  HA      6.00                
         QD     54 GLY  HN      6.00                
         QD     54 GLY  HA1     5.00                
         QD     54 GLY  HA2     6.00                
         QD     55 ASP- HN      5.00                
         QD     55 ASP- HA      4.20                
         QD     56 THR  HN      5.00                
         QE     50 ASP- HN      5.00                
         QE     51 PRO  HA      5.00                
         QE     54 GLY  HN      6.00                
         QE     54 GLY  HA1     4.20                
         QE     54 GLY  HA2     5.00                
         QE     55 ASP- HN      4.20                
         QE     55 ASP- HA      6.00                
 50 ASP- 
         HN     50 ASP- QB      3.50                
         HN     51 PRO  QD      5.00                
         HN     52 ARG+ HN      5.00                
         HN     53 GLN  HN      5.00                
         HN     53 GLN  QB      5.00                
         HN     54 GLY  HN      4.20                
         HN     54 GLY  HA1     4.20                
         HN     54 GLY  HA2     5.00                
         HN     55 ASP- HA      4.20                
         HN     56 THR  HN      5.00                
         HN     56 THR  QG2     5.00                
         HA     51 PRO  QG      5.00                
         HA     51 PRO  QD      2.50                
         HA     52 ARG+ HN      4.20                
         HA     56 THR  QG2     6.00                
         QB     52 ARG+ HN      4.20                
         QB     53 GLN  HN      4.20                
         QB     53 GLN  HA      6.00                
         QB     54 GLY  HN      4.20                
         QB     54 GLY  HA1     5.00                
 51 PRO  
         HA     54 GLY  HN      6.00                
         HB2    52 ARG+ HN      4.20                
         QG     52 ARG+ HN      4.20                
         QD     52 ARG+ HN      3.50                
 52 ARG+ 
         HN     52 ARG+ HB2     3.00                
         HN     52 ARG+ HB3     4.20                
         HN     52 ARG+ QG      4.20                
         HN     52 ARG+ QD      6.00                
         HN     53 GLN  HN      3.00                
         HN     53 GLN  QG      6.00                
         HN     54 GLY  HN      4.20                
         HA     52 ARG+ HB3     3.00                
         HA     52 ARG+ QD      5.00                
         HA     54 GLY  HN      6.00                
         QB     53 GLN  HN      3.50                
         QG     53 GLN  HN      5.00                
         QD     53 GLN  HN      5.00                
 53 GLN  
         HN     53 GLN  HB2     3.00                
         HN     53 GLN  HB3     4.20                
         HN     53 GLN  QG      3.00                
         HN     54 GLY  HN      3.00                
         HA     53 GLN  HB3     3.00                
         HB2    54 GLY  HN      3.00                
         HB3    54 GLY  HN      4.20                
         QG     54 GLY  HN      5.00                
 54 GLY  
         HN     54 GLY  HA1     2.50                
         HN     55 ASP- HN      5.00                
         HN     56 THR  QG2     6.00                
         HA1    55 ASP- HN      3.50                
         HA1    55 ASP- HA      5.00                
         HA2    55 ASP- HN      2.50                
         HA2    55 ASP- HB2     6.00                
 55 ASP- 
         HN     55 ASP- HB2     3.00                
         HN     56 THR  HN      5.00                
         HA     55 ASP- HB3     3.00                
         HA     56 THR  HN      2.50                
         HA     56 THR  QG2     6.00                
         HB2    56 THR  HN      5.00                
         HB3    56 THR  HN      5.00                
 56 THR  
         HN     56 THR  HB      4.20                
         HN     56 THR  QG2     4.20                
         HN     57 VAL  HN      5.00                
         HA     56 THR  HB      3.00                
         HA     57 VAL  HN      2.50                
         HA     57 VAL  HB      5.00                
         HA     57 VAL  QG2     6.00                
         HB     57 VAL  HN      4.20                
         QG2    57 VAL  HN      5.00                
 57 VAL  
         HN     57 VAL  HB      3.00                
         HN     57 VAL  QG2     3.50                
         HN     58 LYS+ HN      5.00                
         HA     58 LYS+ HN      2.50                
         QG1    58 LYS+ HN      4.20                
         QG1    58 LYS+ HA      6.00                
         QG1    59 HIS  HE1     6.00                
         QG2    58 LYS+ HN      6.00                
 58 LYS+ 
         HN     58 LYS+ HB2     3.00                
         HN     58 LYS+ HB3     4.20                
         HN     58 LYS+ QG      4.20                
         HN     59 HIS  HN      5.00                
         HA     58 LYS+ HB3     3.00                
         HA     58 LYS+ QD      6.00                
         HA     59 HIS  HN      2.50                
         HA     59 HIS  HA      5.00                
         HA     59 HIS  QB      6.00                
         HB2    58 LYS+ QE      4.20                
         HB2    59 HIS  HN      4.20                
         HB2    59 HIS  HA      6.00                
         HB2    60 TYR  QE      5.00                
         HB3    59 HIS  HN      3.00                
         HB3    60 TYR  QE      5.00                
         QG     59 HIS  HN      5.00                
         QD     59 HIS  HN      4.20                
         QE     59 HIS  HN      6.00                
 59 HIS  
         HN     59 HIS  QB      3.50                
         HN     59 HIS  HD2     5.00                
         HN     60 TYR  HN      5.00                
         HA     60 TYR  HN      2.50                
         HA     60 TYR  HA      5.00                
         HA     60 TYR  HB2     5.00                
         HA     60 TYR  QD      6.00                
         QB     60 TYR  HN      4.20                
 60 TYR  
         HN     60 TYR  HB2     3.00                
         HN     60 TYR  QD      3.50                
         HN     61 LYS+ HN      5.00                
         HA     60 TYR  HB3     3.00                
         HA     61 LYS+ HN      2.50                
         HA     61 LYS+ QB      5.00                
         HA     61 LYS+ QG      6.00                
         HB2    61 LYS+ HN      4.20                
         HB2    72 ILE  QG2     5.00                
         HB2    72 ILE  QD1     5.00                
         HB3    61 LYS+ HN      3.50                
         HB3    72 ILE  QG2     5.00                
         HB3    72 ILE  QD1     5.00                
         QD     61 LYS+ HN      5.00                
         QD     72 ILE  QD1     6.00                
         QE     95 LEU  HA      6.00                
         QE     95 LEU  QD2     4.20                
         QE     96 CYS  HN      5.00                
 61 LYS+ 
         HN     61 LYS+ QB      3.50                
         HN     61 LYS+ QG      4.20                
         HN     61 LYS+ QD      5.00                
         HN     62 ILE  HN      5.00                
         HA     62 ILE  HN      2.50                
         QB     62 ILE  HN      4.20                
         QG     62 ILE  HN      6.00                
         QD     62 ILE  HN      5.00                
         QD     62 ILE  HA      6.00                
 62 ILE  
         HN     62 ILE  HB      3.00                
         HN     62 ILE  QD1     6.00                
         HN     63 ARG+ HN      5.00                
         HA     63 ARG+ HN      2.50                
         HA     63 ARG+ HB2     5.00                
         HA     63 ARG+ HB3     6.00                
         HA     71 TYR  HN      5.00                
         HA     71 TYR  HA      6.00                
         HA     72 ILE  QD1     5.00                
         HB     63 ARG+ HN      5.00                
         QG2    63 ARG+ HN      5.00                
         QG2    63 ARG+ HA      6.00                
         QG2    70 PHE  HN      6.00                
         QG2    70 PHE  HA      5.00                
         QG2    71 TYR  HN      5.00                
         QG2    81 LEU  QD2     5.00                
         QD1    72 ILE  HG12    6.00                
         QD1    81 LEU  QD2     6.00                
 63 ARG+ 
         N      71 TYR  O       3.30                
         HN     63 ARG+ HB2     3.00                
         HN     63 ARG+ HB3     4.20                
         HN     63 ARG+ QG      4.20                
         HN     63 ARG+ QD      5.00                
         HN     64 THR  HN      5.00                
         HN     70 PHE  HA      5.00                
         HN     71 TYR  HN      3.50                
         HN     71 TYR  QD      6.00                
         HN     71 TYR  O       2.40                
         HN     72 ILE  HA      3.50                
         HA     63 ARG+ HB3     3.00                
         HA     63 ARG+ QD      3.50                
         HA     64 THR  HN      2.50                
         HA     64 THR  QG2     6.00                
         HB2    64 THR  HN      4.20                
         HB2    71 TYR  QD      6.00                
         HB2    71 TYR  QE      5.00                
         HB3    64 THR  HN      3.00                
         QG     64 THR  HN      5.00                
         QD     64 THR  HN      4.20                
         QD     71 TYR  QE      6.00                
         O      71 TYR  N       3.30                
         O      71 TYR  HN      2.40                
 64 THR  
         HN     64 THR  HB      4.20                
         HN     64 THR  QG2     4.20                
         HN     65 LEU  HN      5.00                
         HN     70 PHE  HA      5.00                
         HA     64 THR  HB      3.00                
         HA     65 LEU  HN      2.50                
         HA     65 LEU  HA      5.00                
         HA     65 LEU  QB      6.00                
         HA     69 GLY  HN      5.00                
         HA     70 PHE  HA      2.50                
         HA     70 PHE  HB3     5.00                
         HA     70 PHE  QD      5.00                
         HA     71 TYR  HN      3.50                
         HA     71 TYR  QE      6.00                
         HB     65 LEU  HN      3.00                
         HB     70 PHE  HA      5.00                
         QG2    65 LEU  HN      5.00                
         QG2    70 PHE  HA      5.00                
 65 LEU  
         HN     65 LEU  QB      3.50                
         HN     65 LEU  HG      3.00                
         HN     65 LEU  QD1     5.00                
         HN     65 LEU  QD2     5.00                
         HN     66 ASP- HN      5.00                
         HN     69 GLY  HN      5.00                
         HN     70 PHE  HA      4.20                
         HN     71 TYR  QD      6.00                
         HA     65 LEU  QD1     5.00                
         HA     65 LEU  QD2     4.20                
         HA     66 ASP- HN      3.00                
         HA     71 TYR  QE      6.00                
         QB     66 ASP- HN      3.50                
         QB     67 ASN  HN      5.00                
         QB     67 ASN  HA      6.00                
         QB     68 GLY  HN      5.00                
         QB     69 GLY  HN      5.00                
         HG     70 PHE  HA      5.00                
         HG     71 TYR  QD      4.20                
         HG     71 TYR  QE      5.00                
         QD1    68 GLY  HN      6.00                
         QD1    69 GLY  HN      6.00                
         QD1    69 GLY  QA      6.00                
         QD1    71 TYR  QD      6.00                
         QD2    66 ASP- HN      6.00                
         QD2    71 TYR  QD      6.00                
         QD2    71 TYR  QE      5.00                
 66 ASP- 
         HN     66 ASP- QB      3.50                
         HN     67 ASN  HN      3.50                
         HA     67 ASN  HA      5.00                
         HA     68 GLY  HN      5.00                
         QB     67 ASN  HN      4.20                
         QB     67 ASN  HA      6.00                
         QB     68 GLY  HN      6.00                
 67 ASN  
         HN     67 ASN  QB      3.50                
         HN     68 GLY  HN      3.50                
         HA     68 GLY  HN      3.50                
         HA     68 GLY  QA      5.00                
 68 GLY  
         HN     69 GLY  HN      4.20                
         HN     69 GLY  QA      6.00                
 69 GLY  
         HN     70 PHE  HN      4.20                
         HN     79 SER  HA      5.00                
         QA     79 SER  HA      3.50                
 70 PHE  
         N      78 PHE  O       3.30                
         HN     70 PHE  HB2     3.00                
         HN     70 PHE  QD      4.20                
         HN     71 TYR  HN      5.00                
         HN     77 THR  HA      6.00                
         HN     77 THR  HB      5.00                
         HN     78 PHE  HN      3.50                
         HN     78 PHE  O       2.40                
         HN     79 SER  HA      3.50                
         HA     70 PHE  HB3     3.00                
         HA     71 TYR  HN      2.50                
         HA     71 TYR  QD      5.00                
         HB2    71 TYR  HN      4.20                
         HB2    81 LEU  QD2     5.00                
         HB2    84 LEU  QD1     5.00                
         HB3    71 TYR  HN      3.50                
         HB3    81 LEU  QD2     5.00                
         HB3    84 LEU  QD1     6.00                
         QD     71 TYR  HN      6.00                
         O      78 PHE  N       3.30                
         O      78 PHE  HN      2.40                
 71 TYR  
         HN     71 TYR  HB3     3.50                
         HN     72 ILE  HN      5.00                
         HA     71 TYR  HB2     3.00                
         HA     71 TYR  HB3     3.00                
         HA     72 ILE  HN      2.50                
         HA     73 SER  HN      4.20                
         HA     77 THR  HA      3.00                
         HA     77 THR  QG2     6.00                
         HA     78 PHE  HN      4.20                
         HA     78 PHE  QD      5.00                
         HA     84 LEU  QD1     6.00                
         HB2    72 ILE  HN      3.50                
         HB2    73 SER  HN      6.00                
         HB2    77 THR  HA      4.20                
         HB2    78 PHE  HN      5.00                
         HB3    72 ILE  HN      4.20                
         HB3    77 THR  HA      4.20                
         HB3    78 PHE  HN      4.20                
         QD     72 ILE  HN      5.00                
         QD     73 SER  HN      6.00                
         QD     74 PRO  HA      6.00                
         QD     77 THR  QG2     5.00                
         QE     74 PRO  HA      6.00                
         QE     74 PRO  HB3     6.00                
 72 ILE  
         HN     72 ILE  HB      3.00                
         HN     72 ILE  HG13    4.20                
         HN     72 ILE  QD1     5.00                
         HN     73 SER  HN      3.00                
         HN     73 SER  HA      5.00                
         HN     73 SER  HB3     6.00                
         HA     72 ILE  HG13    4.20                
         HB     73 SER  HN      3.50                
         QG2    72 ILE  HG12    3.50                
         QG2    73 SER  HN      5.00                
         QG2    73 SER  HA      6.00                
         QG2    73 SER  HB2     5.00                
         QG2    95 LEU  QD2     5.00                
         QD1    84 LEU  HG      6.00                
         QD1    84 LEU  QD1     6.00                
         QD1    95 LEU  QD2     6.00                
 73 SER  
         HN     73 SER  HB2     3.50                
         HN     73 SER  HB3     3.00                
         HN     74 PRO  QD      5.00                
         HA     73 SER  HB2     3.00                
         HA     74 PRO  HB3     6.00                
         HA     74 PRO  QG      5.00                
         HA     74 PRO  QD      3.00                
         HA     75 ARG+ HN      6.00                
         HB3    76 SER  HN      5.00                
 74 PRO  
         HA     75 ARG+ HN      3.50                
         HA     76 SER  HN      5.00                
         HA     77 THR  QG2     6.00                
 75 ARG+ 
         HN     75 ARG+ HB2     3.00                
         HN     75 ARG+ HB3     4.20                
         HN     75 ARG+ QG      3.50                
         HN     75 ARG+ QD      5.00                
         HN     76 SER  HN      3.00                
         HA     75 ARG+ HB3     3.00                
         HA     75 ARG+ QG      3.50                
         HB2    76 SER  HN      3.00                
         HB2    76 SER  HA      5.00                
         HB3    76 SER  HN      4.20                
         QG     76 SER  HN      4.20                
         QD     76 SER  HN      6.00                
 76 SER  
         HN     76 SER  QB      3.50                
         HA     77 THR  HN      2.50                
         HA     77 THR  QG2     6.00                
         QB     77 THR  HN      4.20                
         QB     78 PHE  HZ      5.00                
 77 THR  
         HN     77 THR  HB      4.20                
         HN     77 THR  QG2     3.50                
         HA     77 THR  HB      3.00                
         HA     78 PHE  HN      2.50                
         HA     78 PHE  HB2     5.00                
         HB     78 PHE  HN      3.00                
         QG2    78 PHE  HN      5.00                
 78 PHE  
         HN     78 PHE  HB2     3.00                
         HN     79 SER  HN      5.00                
         HA     78 PHE  HB3     3.00                
         HA     78 PHE  QE      6.00                
         HA     79 SER  HN      2.50                
         HA     79 SER  HA      5.00                
         HA     79 SER  HB3     6.00                
         HA     80 THR  HN      4.20                
         HA     83 GLU- QB      6.00                
         HB2    79 SER  HN      4.20                
         HB2    80 THR  HN      4.20                
         HB2    84 LEU  HN      5.00                
         HB3    79 SER  HN      3.50                
         HB3    80 THR  HN      3.50                
         HB3    84 LEU  HN      4.20                
         QD     79 SER  HN      5.00                
         QD     80 THR  HN      6.00                
         QD     84 LEU  HN      5.00                
         QD     84 LEU  HA      5.00                
         QD     84 LEU  HB2     5.00                
         QD     84 LEU  QD1     5.00                
         QE     84 LEU  QD1     6.00                
 79 SER  
         HN     79 SER  HB2     3.00                
         HN     79 SER  HB3     4.20                
         HN     80 THR  HN      3.00                
         HN     83 GLU- QB      6.00                
         HN     83 GLU- QG      6.00                
         HA     79 SER  HB3     3.00                
         HA     80 THR  HN      3.50                
         HB2    80 THR  HN      3.50                
         HB3    80 THR  HN      4.20                
         QB     80 THR  QG2     6.00                
 80 THR  
         HN     80 THR  HB      4.20                
         HN     80 THR  QG2     4.20                
         HN     81 LEU  HN      5.00                
         HN     83 GLU- HN      4.20                
         HN     83 GLU- QB      4.20                
         HN     83 GLU- QG      4.20                
         HA     80 THR  HB      3.00                
         HA     80 THR  QG2     3.50                
         HA     81 LEU  HN      2.50                
         HA     81 LEU  HA      5.00                
         HA     81 LEU  HB2     5.00                
         HA     81 LEU  HG      5.00                
         HA     82 GLN  HN      5.00                
         HA     83 GLU- HN      6.00                
         HA     84 LEU  HN      6.00                
         HB     81 LEU  HN      3.00                
         HB     82 GLN  HN      3.00                
         HB     82 GLN  HA      6.00                
         HB     83 GLU- HN      5.00                
         QG2    81 LEU  HN      5.00                
         QG2    82 GLN  HN      6.00                
         QG2    83 GLU- HN      6.00                
 81 LEU  
         HN     81 LEU  HB2     3.00                
         HN     81 LEU  HG      3.50                
         HN     81 LEU  QD1     5.00                
         HN     81 LEU  QD2     5.00                
         HN     82 GLN  HN      3.00                
         HN     83 GLU- HN      4.20                
         HA     81 LEU  HB3     3.00                
         HA     81 LEU  HG      3.50                
         HA     81 LEU  QD1     5.00                
         HA     81 LEU  QD2     3.50                
         HA     82 GLN  HN      3.50                
         HA     84 LEU  HN      3.50                
         HA     84 LEU  HA      6.00                
         HA     84 LEU  HB2     3.50                
         HA     84 LEU  HB3     3.00                
         HA     84 LEU  QD1     5.00                
         HA     84 LEU  QD2     6.00                
         HB2    81 LEU  QD1     3.50                
         HB2    82 GLN  HN      3.50                
         HB3    81 LEU  QD1     3.50                
         HB3    82 GLN  HN      4.20                
         QD2    84 LEU  HN      6.00                
         QD2    84 LEU  QD1     5.00                
         O      85 VAL  N       3.30                
         O      85 VAL  HN      2.40                
 82 GLN  
         HN     82 GLN  HB2     3.00                
         HN     82 GLN  HB3     3.00                
         HN     82 GLN  QG      5.00                
         HN     83 GLU- HN      3.00                
         HN     84 LEU  HN      5.00                
         HA     82 GLN  HB2     3.00                
         HA     83 GLU- HN      3.50                
         HA     85 VAL  HN      3.50                
         HA     85 VAL  HA      6.00                
         HA     85 VAL  HB      3.50                
         HA     85 VAL  QG1     6.00                
         HA     85 VAL  QG2     5.00                
         HA     86 ASP- HN      5.00                
         HB2    83 GLU- HN      4.20                
         HB3    83 GLU- HN      3.00                
         QG     83 GLU- HN      5.00                
         O      86 ASP- N       3.30                
         O      86 ASP- HN      2.40                
 83 GLU- 
         HN     83 GLU- QB      3.50                
         HN     83 GLU- QG      3.00                
         HN     84 LEU  HN      3.00                
         HN     85 VAL  HN      5.00                
         HA     83 GLU- QG      3.50                
         HA     84 LEU  HN      3.50                
         HA     86 ASP- HN      3.50                
         HA     86 ASP- QB      4.20                
         QB     84 LEU  HN      3.50                
         QG     84 LEU  HN      5.00                
         O      87 HIS  N       3.30                
         O      87 HIS  HN      2.40                
 84 LEU  
         HN     84 LEU  HB2     3.00                
         HN     84 LEU  HB3     3.00                
         HN     84 LEU  HG      5.00                
         HN     84 LEU  QD1     6.00                
         HN     84 LEU  QD2     5.00                
         HN     85 VAL  HN      3.00                
         HN     85 VAL  QG2     6.00                
         HN     86 ASP- HN      5.00                
         HA     84 LEU  HB2     3.00                
         HA     84 LEU  HG      3.00                
         HA     84 LEU  QD1     6.00                
         HA     84 LEU  QD2     6.00                
         HA     85 VAL  HN      3.50                
         HA     87 HIS  HN      4.20                
         HA     87 HIS  QB      3.50                
         HB2    84 LEU  QD1     3.50                
         HB2    85 VAL  HN      4.20                
         HB3    84 LEU  QD1     3.50                
         HB3    85 VAL  HN      3.50                
         QD1    85 VAL  HN      6.00                
         QD2    85 VAL  HN      4.20                
         QD2    85 VAL  HA      4.20                
         QD2    85 VAL  QG2     6.00                
         QD2    88 TYR  HN      6.00                
         O      88 TYR  N       3.30                
         O      88 TYR  HN      2.40                
 85 VAL  
         HN     85 VAL  HB      3.00                
         HN     85 VAL  QG2     3.50                
         HN     86 ASP- HN      3.00                
         HN     87 HIS  HN      5.00                
         HA     86 ASP- HN      3.50                
         HA     88 TYR  HN      4.20                
         HA     88 TYR  HB2     3.50                
         HA     88 TYR  QD      6.00                
         HA     99 LEU  QD1     5.00                
         HB     86 ASP- HN      3.50                
         QG1    86 ASP- HN      5.00                
         QG2    86 ASP- HN      5.00                
         O      89 LYS+ N       3.30                
         O      89 LYS+ HN      2.40                
 86 ASP- 
         HN     86 ASP- HB2     3.00                
         HN     87 HIS  HN      3.00                
         HN     88 TYR  HN      5.00                
         HA     86 ASP- HB3     3.00                
         HA     87 HIS  HN      3.50                
         HA     89 LYS+ HN      3.50                
         HA     89 LYS+ QB      3.50                
         HA     89 LYS+ QD      5.00                
         HB2    87 HIS  HN      3.00                
         HB2    89 LYS+ HN      6.00                
         HB3    87 HIS  HN      3.50                
         O      90 LYS+ N       3.30                
         O      90 LYS+ HN      2.40                
 87 HIS  
         HN     87 HIS  QB      3.00                
         HN     88 TYR  HN      3.00                
         HA     88 TYR  HN      3.50                
         HA     90 LYS+ HN      4.20                
         HA     90 LYS+ QB      4.20                
         HA     90 LYS+ QG      6.00                
         HA     90 LYS+ QD      5.00                
         QB     88 TYR  HN      3.50                
         O      91 GLY  N       3.30                
         O      91 GLY  HN      2.40                
 88 TYR  
         HN     88 TYR  HB2     3.00                
         HN     88 TYR  QD      4.20                
         HN     89 LYS+ HN      3.00                
         HN     90 LYS+ HN      5.00                
         HN     99 LEU  QD1     6.00                
         HA     88 TYR  HB3     3.00                
         HA     89 LYS+ HN      3.50                
         HA     90 LYS+ HN      4.20                
         HA     91 GLY  HN      3.50                
         HA     99 LEU  QD1     6.00                
         HB2    89 LYS+ HN      4.20                
         HB2    99 LEU  HN      6.00                
         HB3    89 LYS+ HN      4.20                
         HB3    99 LEU  HN      5.00                
         QD     89 LYS+ HN      5.00                
         QD     95 LEU  QD1     5.00                
         QE     95 LEU  QD1     5.00                
         QE     95 LEU  QD2     6.00                
         O      99 LEU  N       3.30                
         O      99 LEU  HN      2.40                
 89 LYS+ 
         HN     89 LYS+ QB      3.50                
         HN     89 LYS+ QG      4.20                
         HN     89 LYS+ QD      5.00                
         HN     89 LYS+ QE      6.00                
         HN     90 LYS+ HN      3.00                
         HN     91 GLY  HN      5.00                
         HN     99 LEU  QD1     6.00                
         HA     89 LYS+ QD      4.20                
         HA     90 LYS+ HN      3.50                
         HA     91 GLY  HN      5.00                
         HA     99 LEU  HN      3.00                
         HA     99 LEU  HB2     3.00                
         HA     99 LEU  HB3     4.20                
         HA     99 LEU  QD1     6.00                
         HA     99 LEU  QD2     6.00                
         QB     90 LYS+ HN      3.50                
         QG     90 LYS+ HN      5.00                
 90 LYS+ 
         HN     90 LYS+ QB      3.50                
         HN     90 LYS+ QG      4.20                
         HN     90 LYS+ QD      5.00                
         HN     90 LYS+ QE      6.00                
         HN     91 GLY  HN      3.00                
         HA     90 LYS+ QG      3.50                
         HA     90 LYS+ QD      4.20                
         HA     90 LYS+ QE      5.00                
         HA     91 GLY  HN      3.50                
         QB     91 GLY  HN      3.50                
 91 GLY  
         HN     92 ASN  HN      5.00                
         HA1    92 ASN  HN      3.00                
         HA1    93 ASP- HN      5.00                
         HA1    98 LYS+ QB      6.00                
         HA1    98 LYS+ QG      6.00                
         HA1    98 LYS+ QD      5.00                
         HA1    98 LYS+ QE      6.00                
 92 ASN  
         HN     92 ASN  HB3     3.00                
         HA     92 ASN  HB2     3.00                
         HA     92 ASN  HB3     3.00                
         HA     95 LEU  HN      4.20                
         HA     95 LEU  HB2     4.20                
         HA     95 LEU  HB3     5.00                
         HA     95 LEU  QD1     5.00                
         HA     98 LYS+ HA      3.50                
         HA     98 LYS+ QB      4.20                
         HB2    92 ASN  HD21    3.50                
         HB2    92 ASN  HD22    3.50                
         HB2    93 ASP- HN      5.00                
         HB2    94 GLY  HN      5.00                
         HB2    95 LEU  HN      4.20                
         HB2    98 LYS+ HN      5.00                
         HB3    93 ASP- HN      4.20                
         HB3    95 LEU  HN      5.00                
         HB3    98 LYS+ HN      5.00                
         HD21   94 GLY  HN      4.20                
         HD21   95 LEU  HN      4.20                
         HD21   97 GLN  HA      5.00                
         HD22   94 GLY  HN      5.00                
         HD22   95 LEU  HN      6.00                
         HD22   97 GLN  HA      6.00                
         O      95 LEU  N       3.30                
         O      95 LEU  HN      2.40                
 93 ASP- 
         HN     93 ASP- HA      2.50                
         HN     93 ASP- HB2     3.50                
         HN     94 GLY  HN      3.50                
         HN     95 LEU  HN      5.00                
         HA     93 ASP- HB2     3.00                
         HA     94 GLY  HN      3.00                
         HB2    94 GLY  HN      5.00                
         HB2    95 LEU  HN      6.00                
         HB3    94 GLY  HN      5.00                
 94 GLY  
         HN     95 LEU  HN      3.00                
 95 LEU  
         HN     95 LEU  HB2     3.00                
         HN     95 LEU  HG      3.50                
         HN     95 LEU  QD1     6.00                
         HN     95 LEU  QD2     5.00                
         HN     96 CYS  HN      5.00                
         HN     97 GLN  HN      6.00                
         HA     95 LEU  HB3     3.00                
         HA     95 LEU  HG      3.50                
         HA     95 LEU  QD1     6.00                
         HA     95 LEU  QD2     4.20                
         HA     96 CYS  HN      3.00                
         HA     97 GLN  HN      5.00                
         HB2    96 CYS  HN      4.20                
         HB2    97 GLN  HN      4.20                
         HB3    96 CYS  HN      3.00                
         HB3    97 GLN  HN      4.20                
         HG     96 CYS  HN      5.00                
         HG     97 GLN  HN      6.00                
         QD1    96 CYS  HN      6.00                
         QD1    97 GLN  HN      6.00                
         QD2    96 CYS  HN      5.00                
 96 CYS  
         HN     96 CYS  HB2     4.20                
         HN     96 CYS  HB3     3.00                
         HN     97 GLN  HN      3.00                
         HA     96 CYS  HB2     3.00                
         HA     96 CYS  HB3     3.00                
         HB2    97 GLN  HN      4.20                
         HB3    97 GLN  HN      4.20                
 97 GLN  
         HN     97 GLN  HB2     4.20                
         HN     97 GLN  HB3     4.20                
         HN     97 GLN  QG      5.00                
         HN     98 LYS+ HN      5.00                
         HA     97 GLN  HB3     3.00                
         HA     97 GLN  HE21    5.00                
         HA     97 GLN  HE22    6.00                
         HA     98 LYS+ HN      2.50                
         HA     98 LYS+ QB      6.00                
         QG     98 LYS+ HN      5.00                
 98 LYS+ 
         HN     98 LYS+ QB      3.50                
         HN     98 LYS+ QG      4.20                
         HN     98 LYS+ QD      6.00                
         HN     98 LYS+ QE      6.00                
         HN     99 LEU  HN      5.00                
         HA     99 LEU  HN      2.50                
         HA     99 LEU  HB2     5.00                
         HA     99 LEU  HB3     6.00                
         HA     99 LEU  QD2     6.00                
         QB     99 LEU  HN      4.20                
         QG     99 LEU  HN      5.00                
 99 LEU  
         HN     99 LEU  HB2     3.00                
         HN     99 LEU  HG      3.00                
         HN     99 LEU  QD1     5.00                
         HN     99 LEU  QD2     5.00                
         HN    100 SER  HN      5.00                
         HA     99 LEU  HB3     3.00                
         HA     99 LEU  HG      4.20                
         HA     99 LEU  QD1     6.00                
         HA     99 LEU  QD2     5.00                
         HA    100 SER  HN      2.50                
         HA    101 VAL  HN      5.00                
         HB2   100 SER  HN      5.00                
         HB3   100 SER  HN      3.50                
         HG    100 SER  HN      6.00                
         QD2   100 SER  HN      4.20                
100 SER  
         HN    100 SER  HB2     4.20                
         HN    100 SER  HB3     3.00                
         HN    101 VAL  HN      4.20                
         HA    100 SER  HB2     3.00                
         HA    100 SER  HB3     3.00                
         HB2   101 VAL  HN      3.00                
         HB3   101 VAL  HN      4.20                
101 VAL  
         HN    101 VAL  QG1     4.20                
         HN    101 VAL  QG2     3.00                
         HN    102 PRO  HD3     6.00                
         HA    101 VAL  HB      3.00                
         HA    102 PRO  QB      6.00                
         HA    102 PRO  HG2     5.00                
         HA    102 PRO  HG3     4.20                
         HA    102 PRO  HD3     3.50                
102 PRO  
         HA    103 CYS  HN      2.50                
         QB    103 CYS  HN      4.20                
103 CYS  
         HN    103 CYS  HB2     3.00                
         HN    103 CYS  HB3     3.00                
         HN    104 MET  HN      5.00                
         HA    103 CYS  HB2     3.00                
         HA    104 MET  HN      2.50                
         HA    104 MET  HA      5.00                
         HB2   104 MET  HN      5.00                
         HB3   104 MET  HN      5.00                
104 MET  
         HN    104 MET  QB      3.50                
         HN    104 MET  QG      4.20                
         HN    105 SER  HN      5.00                
         HA    105 SER  HN      3.00                
         QB    105 SER  HN      4.20                
         QG    105 SER  HN      5.00                
105 SER  
         HN    105 SER  QB      3.50                
         HA    106 SER  HN      3.00                
106 SER  
         HN    106 SER  QB      3.50                
         HN    107 LYS+ HN      5.00                
         HA    107 LYS+ HN      3.00                
         QB    107 LYS+ HN      4.20                
107 LYS+ 
         HN    107 LYS+ QG      6.00                

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.429  -0.493  -0.493
    3   1HB   MET   1          2HB       MET   1   2.466   2.067   2.067
    4   2HB   MET   1          3HB       MET   1   3.340   1.481   1.481
    5   1HG   MET   1          2HG       MET   1   1.251   1.424   1.424
    6   2HG   MET   1          3HG       MET   1   0.310   1.884   1.884
    7   1HE   MET   1          1HE       MET   1  -0.756   3.854   3.854
    8   2HE   MET   1          2HE       MET   1   0.116   5.177   5.177
    9   3HE   MET   1          3HE       MET   1   0.124   3.543   3.543
   10    H    GLU   2           HN       GLU   2   4.047   0.526   0.526
   11    HA   GLU   2           HA       GLU   2   5.272  -1.918  -1.918
   12   1HB   GLU   2          2HB       GLU   2   5.638  -1.001  -1.001
   13   2HB   GLU   2          3HB       GLU   2   7.014  -0.235  -0.235
   14   1HG   GLU   2          2HG       GLU   2   7.978  -2.311  -2.311
   15   2HG   GLU   2          3HG       GLU   2   6.460  -3.175  -3.175
   16    H    THR   3           HN       THR   3   6.929  -1.886  -1.886
   17    HA   THR   3           HA       THR   3   7.915   0.765   0.765
   18    HB   THR   3           HB       THR   3   7.521  -0.025  -0.025
   19    HG1  THR   3           HG1      THR   3   6.111  -1.886  -1.886
   20   1HG2  THR   3          1HG2      THR   3   5.005   0.086   0.086
   21   2HG2  THR   3          2HG2      THR   3   5.083   0.389   0.389
   22   3HG2  THR   3          3HG2      THR   3   5.862   1.519   1.519
   23    H    GLU   4           HN       GLU   4   9.959   0.773   0.773
   24    HA   GLU   4           HA       GLU   4  11.337  -1.783  -1.783
   25   1HB   GLU   4          2HB       GLU   4  12.112   0.883   0.883
   26   2HB   GLU   4          3HB       GLU   4  13.381  -0.201  -0.201
   27   1HG   GLU   4          2HG       GLU   4  13.162  -1.072  -1.072
   28   2HG   GLU   4          3HG       GLU   4  11.852  -1.981  -1.981
   29    H    GLU   5           HN       GLU   5  11.720  -2.304  -2.304
   30    HA   GLU   5           HA       GLU   5  12.795  -0.147  -0.147
   31   1HB   GLU   5          2HB       GLU   5  10.642  -2.109  -2.109
   32   2HB   GLU   5          3HB       GLU   5  11.832  -2.053  -2.053
   33   1HG   GLU   5          2HG       GLU   5  11.414   0.224   0.224
   34   2HG   GLU   5          3HG       GLU   5  10.764   0.550   0.550
   35    H    TRP   6           HN       TRP   6  14.648  -1.355  -1.355
   36    HA   TRP   6           HA       TRP   6  15.682  -3.663  -3.663
   37   1HB   TRP   6          2HB       TRP   6  17.418  -3.579  -3.579
   38   2HB   TRP   6          3HB       TRP   6  15.775  -3.971  -3.971
   39    HD1  TRP   6           HD1      TRP   6  14.756  -2.481  -2.481
   40    HE1  TRP   6           HE1      TRP   6  15.414  -0.308  -0.308
   41    HE3  TRP   6           HE3      TRP   6  18.759  -1.270  -1.270
   42    HZ2  TRP   6           HZ2      TRP   6  17.488   1.630   1.630
   43    HZ3  TRP   6           HZ3      TRP   6  20.047   0.779   0.779
   44    HH2  TRP   6           HH2      TRP   6  19.469   2.208   2.208
   45    H    PHE   7           HN       PHE   7  15.829  -0.212  -0.212
   46    HA   PHE   7           HA       PHE   7  18.509  -0.221  -0.221
   47   1HB   PHE   7          2HB       PHE   7  18.067   1.397   1.397
   48   2HB   PHE   7          3HB       PHE   7  16.551   1.883   1.883
   49    HD1  PHE   7           HD2      PHE   7  20.223   1.905   1.905
   50    HD2  PHE   7           HD1      PHE   7  16.481   3.735   3.735
   51    HE1  PHE   7           HE2      PHE   7  21.398   3.782   3.782
   52    HE2  PHE   7           HE1      PHE   7  17.656   5.611   5.611
   53   1HZ   PHE   7           HZ       PHE   7  20.100   5.612   5.612
   54    H    PHE   8           HN       PHE   8  18.914   0.455   0.455
   55    HA   PHE   8           HA       PHE   8  16.528   1.129   1.129
   56   1HB   PHE   8          2HB       PHE   8  18.883  -0.772  -0.772
   57   2HB   PHE   8          3HB       PHE   8  17.901  -0.186  -0.186
   58    HD1  PHE   8           HD1      PHE   8  17.481  -1.834  -1.834
   59    HD2  PHE   8           HD2      PHE   8  16.110  -1.475  -1.475
   60    HE1  PHE   8           HE1      PHE   8  15.839  -3.691  -3.691
   61    HE2  PHE   8           HE2      PHE   8  14.468  -3.331  -3.331
   62   1HZ   PHE   8           HZ       PHE   8  14.352  -4.417  -4.417
   63    H    LYS   9           HN       LYS   9  17.045   2.306   2.306
   64    HA   LYS   9           HA       LYS   9  18.743   4.461   4.461
   65   1HB   LYS   9          2HB       LYS   9  18.131   5.236   5.236
   66   2HB   LYS   9          3HB       LYS   9  16.718   4.489   4.489
   67   1HG   LYS   9          2HG       LYS   9  18.436   2.623   2.623
   68   2HG   LYS   9          3HG       LYS   9  17.696   3.897   3.897
   69   1HD   LYS   9          2HD       LYS   9  15.652   2.912   2.912
   70   2HD   LYS   9          3HD       LYS   9  15.743   2.795   2.795
   71   1HE   LYS   9          2HE       LYS   9  16.124   0.565   0.565
   72   2HE   LYS   9          3HE       LYS   9  17.577   0.855   0.855
   73   1HZ   LYS   9          1HZ       LYS   9  14.888   0.838   0.838
   74   2HZ   LYS   9          2HZ       LYS   9  15.865  -0.471  -0.471
   75   3HZ   LYS   9          3HZ       LYS   9  16.313   0.857   0.857
   76    H    GLY  10           HN       GLY  10  20.328   5.038   5.038
   77   1HA   GLY  10          1HA       GLY  10  22.612   3.443   3.443
   78   2HA   GLY  10          2HA       GLY  10  22.428   4.706   4.706
   79    H    ILE  11           HN       ILE  11  21.396   1.288   1.288
   80    HA   ILE  11           HA       ILE  11  21.009   0.811   0.811
   81    HB   ILE  11           HB       ILE  11  19.790  -0.156  -0.156
   82   1HG1  ILE  11          2HG1      ILE  11  20.334  -1.619  -1.619
   83   2HG1  ILE  11          3HG1      ILE  11  19.019  -0.514  -0.514
   84   1HG2  ILE  11          1HG2      ILE  11  22.024  -2.145  -2.145
   85   2HG2  ILE  11          2HG2      ILE  11  20.550  -2.473  -2.473
   86   3HG2  ILE  11          3HG2      ILE  11  21.700  -1.229  -1.229
   87   1HD1  ILE  11          3HD1      ILE  11  18.509  -2.229  -2.229
   88   2HD1  ILE  11          1HD1      ILE  11  19.418  -3.350  -3.350
   89   3HD1  ILE  11          2HD1      ILE  11  17.947  -2.559  -2.559
   90    H    SER  12           HN       SER  12  22.191  -0.844  -0.844
   91    HA   SER  12           HA       SER  12  24.974  -0.573  -0.573
   92   1HB   SER  12          2HB       SER  12  25.286  -1.418  -1.418
   93   2HB   SER  12          3HB       SER  12  23.742  -0.597  -0.597
   94    HG   SER  12           HG       SER  12  23.773  -2.777  -2.777
   95    H    ARG  13           HN       ARG  13  26.452  -2.588  -2.588
   96    HA   ARG  13           HA       ARG  13  25.649  -4.321  -4.321
   97   1HB   ARG  13          2HB       ARG  13  27.997  -3.826  -3.826
   98   2HB   ARG  13          3HB       ARG  13  28.030  -4.238  -4.238
   99   1HG   ARG  13          2HG       ARG  13  27.146  -6.439  -6.439
  100   2HG   ARG  13          3HG       ARG  13  28.815  -5.939  -5.939
  101   1HD   ARG  13          2HD       ARG  13  27.840  -6.335  -6.335
  102   2HD   ARG  13          3HD       ARG  13  28.048  -7.777  -7.777
  103    HE   ARG  13           HE       ARG  13  30.366  -6.121  -6.121
  104   1HH1  ARG  13          2HH2      ARG  13  28.790  -8.134  -8.134
  105   2HH1  ARG  13          1HH2      ARG  13  30.263  -8.515  -8.515
  106   1HH2  ARG  13          2HH1      ARG  13  32.310  -6.624  -6.624
  107   2HH2  ARG  13          1HH1      ARG  13  32.278  -7.650  -7.650
  108    H    LYS  14           HN       LYS  14  25.488  -4.381  -4.381
  109    HA   LYS  14           HA       LYS  14  25.105  -7.232  -7.232
  110   1HB   LYS  14          2HB       LYS  14  25.353  -4.980  -4.980
  111   2HB   LYS  14          3HB       LYS  14  24.451  -6.388  -6.388
  112   1HG   LYS  14          2HG       LYS  14  26.783  -7.384  -7.384
  113   2HG   LYS  14          3HG       LYS  14  27.329  -6.073  -6.073
  114   1HD   LYS  14          2HD       LYS  14  25.672  -7.294  -7.294
  115   2HD   LYS  14          3HD       LYS  14  26.048  -8.684  -8.684
  116   1HE   LYS  14          2HE       LYS  14  28.542  -7.392  -7.392
  117   2HE   LYS  14          3HE       LYS  14  27.739  -7.303  -7.303
  118   1HZ   LYS  14          3HZ       LYS  14  27.652  -9.828  -9.828
  119   2HZ   LYS  14          1HZ       LYS  14  29.060  -9.401  -9.401
  120   3HZ   LYS  14          2HZ       LYS  14  27.704  -9.543  -9.543
  121    H    ASP  15           HN       ASP  15  23.189  -4.285  -4.285
  122    HA   ASP  15           HA       ASP  15  20.785  -5.543  -5.543
  123   1HB   ASP  15          2HB       ASP  15  21.565  -2.906  -2.906
  124   2HB   ASP  15          3HB       ASP  15  19.883  -3.388  -3.388
  125    H    ALA  16           HN       ALA  16  22.628  -4.967  -4.967
  126    HA   ALA  16           HA       ALA  16  20.468  -5.592  -5.592
  127   1HB   ALA  16          3HB       ALA  16  22.964  -4.371  -4.371
  128   2HB   ALA  16          1HB       ALA  16  23.192  -5.914  -5.914
  129   3HB   ALA  16          2HB       ALA  16  21.902  -4.797  -4.797
  130    H    GLU  17           HN       GLU  17  22.950  -7.361  -7.361
  131    HA   GLU  17           HA       GLU  17  22.687  -9.693  -9.693
  132   1HB   GLU  17          2HB       GLU  17  24.157  -8.943  -8.943
  133   2HB   GLU  17          3HB       GLU  17  23.939 -10.645 -10.645
  134   1HG   GLU  17          2HG       GLU  17  24.748  -9.617  -9.617
  135   2HG   GLU  17          3HG       GLU  17  25.675  -8.652  -8.652
  136    H    ARG  18           HN       ARG  18  21.110  -8.285  -8.285
  137    HA   ARG  18           HA       ARG  18  20.011 -10.758 -10.758
  138   1HB   ARG  18          2HB       ARG  18  19.970  -7.919  -7.919
  139   2HB   ARG  18          3HB       ARG  18  18.452  -8.746  -8.746
  140   1HG   ARG  18          2HG       ARG  18  20.794 -10.391 -10.391
  141   2HG   ARG  18          3HG       ARG  18  20.727  -8.881  -8.881
  142   1HD   ARG  18          2HD       ARG  18  18.253 -10.631 -10.631
  143   2HD   ARG  18          3HD       ARG  18  19.447 -10.955 -10.955
  144    HE   ARG  18           HE       ARG  18  18.779  -8.165  -8.165
  145   1HH1  ARG  18          2HH2      ARG  18  17.389 -11.308 -11.308
  146   2HH1  ARG  18          1HH2      ARG  18  16.337 -10.690 -10.690
  147   1HH2  ARG  18          2HH1      ARG  18  17.391  -7.349  -7.349
  148   2HH2  ARG  18          1HH1      ARG  18  16.338  -8.423  -8.423
  149    H    GLN  19           HN       GLN  19  19.230  -8.228  -8.228
  150    HA   GLN  19           HA       GLN  19  16.445  -8.858  -8.858
  151   1HB   GLN  19          2HB       GLN  19  18.234  -7.029  -7.029
  152   2HB   GLN  19          3HB       GLN  19  16.559  -7.295  -7.295
  153   1HG   GLN  19          2HG       GLN  19  16.418  -6.781  -6.781
  154   2HG   GLN  19          3HG       GLN  19  17.684  -5.697  -5.697
  155   1HE2  GLN  19          2HE2      GLN  19  15.660  -3.581  -3.581
  156   2HE2  GLN  19          1HE2      GLN  19  17.261  -4.138  -4.138
  157    H    LEU  20           HN       LEU  20  19.421  -9.836  -9.836
  158    HA   LEU  20           HA       LEU  20  18.031 -11.023 -11.023
  159   1HB   LEU  20          2HB       LEU  20  20.871 -10.777 -10.777
  160   2HB   LEU  20          3HB       LEU  20  20.454 -12.011 -12.011
  161    HG   LEU  20           HG       LEU  20  19.612  -9.163  -9.163
  162   1HD1  LEU  20          1HD1      LEU  20  22.077  -9.260  -9.260
  163   2HD1  LEU  20          2HD1      LEU  20  22.303 -10.221 -10.221
  164   3HD1  LEU  20          3HD1      LEU  20  21.671  -8.560  -8.560
  165   1HD2  LEU  20          1HD2      LEU  20  20.293 -11.482 -11.482
  166   2HD2  LEU  20          2HD2      LEU  20  18.674 -10.829 -10.829
  167   3HD2  LEU  20          3HD2      LEU  20  19.857  -9.843  -9.843
  168    H    LEU  21           HN       LEU  21  19.833 -12.181 -12.181
  169    HA   LEU  21           HA       LEU  21  19.186 -14.890 -14.890
  170   1HB   LEU  21          2HB       LEU  21  20.318 -13.354 -13.354
  171   2HB   LEU  21          3HB       LEU  21  19.897 -15.047 -15.047
  172    HG   LEU  21           HG       LEU  21  21.727 -14.116 -14.116
  173   1HD1  LEU  21          3HD1      LEU  21  22.309 -14.291 -14.291
  174   2HD1  LEU  21          1HD1      LEU  21  23.495 -15.040 -15.040
  175   3HD1  LEU  21          2HD1      LEU  21  23.078 -13.319 -13.319
  176   1HD2  LEU  21          1HD2      LEU  21  20.584 -16.508 -16.508
  177   2HD2  LEU  21          2HD2      LEU  21  22.219 -16.305 -16.305
  178   3HD2  LEU  21          3HD2      LEU  21  22.010 -16.737 -16.737
  179    H    ALA  22           HN       ALA  22  17.355 -12.195 -12.195
  180    HA   ALA  22           HA       ALA  22  15.715 -13.328 -13.328
  181   1HB   ALA  22          3HB       ALA  22  15.881 -10.944 -10.944
  182   2HB   ALA  22          1HB       ALA  22  14.214 -11.557 -11.557
  183   3HB   ALA  22          2HB       ALA  22  14.928 -11.228 -11.228
  184    HA   PRO  23           HA       PRO  23  13.226 -16.085 -16.085
  185   1HB   PRO  23          2HB       PRO  23  10.896 -16.043 -16.043
  186   2HB   PRO  23          3HB       PRO  23  12.312 -16.944 -16.944
  187   1HG   PRO  23          2HG       PRO  23  11.252 -14.404 -14.404
  188   2HG   PRO  23          3HG       PRO  23  12.382 -15.523 -15.523
  189   1HD   PRO  23          2HD       PRO  23  13.011 -13.010 -13.010
  190   2HD   PRO  23          3HD       PRO  23  14.150 -14.182 -14.182
  191    H    GLY  24           HN       GLY  24  12.955 -15.442 -15.442
  192   1HA   GLY  24          1HA       GLY  24  10.507 -14.842 -14.842
  193   2HA   GLY  24          2HA       GLY  24  11.126 -13.264 -13.264
  194    H    ASN  25           HN       ASN  25  13.964 -13.819 -13.819
  195    HA   ASN  25           HA       ASN  25  13.819 -13.597 -13.597
  196   1HB   ASN  25          2HB       ASN  25  16.098 -13.166 -13.166
  197   2HB   ASN  25          3HB       ASN  25  16.282 -12.944 -12.944
  198   1HD2  ASN  25          2HD2      ASN  25  14.606 -10.108 -10.108
  199   2HD2  ASN  25          1HD2      ASN  25  15.265 -11.604 -11.604
  200    H    MET  26           HN       MET  26  15.620 -14.769 -14.769
  201    HA   MET  26           HA       MET  26  16.659 -17.112 -17.112
  202   1HB   MET  26          2HB       MET  26  15.669 -18.651 -18.651
  203   2HB   MET  26          3HB       MET  26  14.389 -17.791 -17.791
  204   1HG   MET  26          2HG       MET  26  14.263 -16.150 -16.150
  205   2HG   MET  26          3HG       MET  26  15.544 -17.009 -17.009
  206   1HE   MET  26          3HE       MET  26  15.389 -19.345 -19.345
  207   2HE   MET  26          1HE       MET  26  14.951 -20.063 -20.063
  208   3HE   MET  26          2HE       MET  26  13.983 -20.429 -20.429
  209    H    LEU  27           HN       LEU  27  18.103 -18.400 -18.400
  210    HA   LEU  27           HA       LEU  27  20.118 -16.889 -16.889
  211   1HB   LEU  27          2HB       LEU  27  19.490 -19.535 -19.535
  212   2HB   LEU  27          3HB       LEU  27  19.495 -19.189 -19.189
  213    HG   LEU  27           HG       LEU  27  21.662 -20.036 -20.036
  214   1HD1  LEU  27          3HD1      LEU  27  21.185 -18.456 -18.456
  215   2HD1  LEU  27          1HD1      LEU  27  22.394 -17.489 -17.489
  216   3HD1  LEU  27          2HD1      LEU  27  22.762 -19.168 -19.168
  217   1HD2  LEU  27          3HD2      LEU  27  21.413 -18.415 -18.415
  218   2HD2  LEU  27          1HD2      LEU  27  23.030 -18.657 -18.657
  219   3HD2  LEU  27          2HD2      LEU  27  22.099 -17.192 -17.192
  220    H    GLY  28           HN       GLY  28  20.551 -15.471 -15.471
  221   1HA   GLY  28          1HA       GLY  28  20.337 -14.831 -14.831
  222   2HA   GLY  28          2HA       GLY  28  18.682 -15.407 -15.407
  223    H    SER  29           HN       SER  29  18.627 -14.125 -14.125
  224    HA   SER  29           HA       SER  29  17.382 -11.764 -11.764
  225   1HB   SER  29          2HB       SER  29  18.161 -12.577 -12.577
  226   2HB   SER  29          3HB       SER  29  16.996 -11.341 -11.341
  227    HG   SER  29           HG       SER  29  15.699 -13.016 -13.016
  228    H    PHE  30           HN       PHE  30  18.215  -9.694  -9.694
  229    HA   PHE  30           HA       PHE  30  20.810  -9.198  -9.198
  230   1HB   PHE  30          2HB       PHE  30  21.480  -8.085  -8.085
  231   2HB   PHE  30          3HB       PHE  30  21.080  -9.767  -9.767
  232    HD1  PHE  30           HD2      PHE  30  20.016  -6.302  -6.302
  233    HD2  PHE  30           HD1      PHE  30  19.093 -10.377 -10.377
  234    HE1  PHE  30           HE2      PHE  30  18.353  -5.606  -5.606
  235    HE2  PHE  30           HE1      PHE  30  17.429  -9.681  -9.681
  236   1HZ   PHE  30           HZ       PHE  30  17.079  -7.304  -7.304
  237    H    MET  31           HN       MET  31  21.260  -6.917  -6.917
  238    HA   MET  31           HA       MET  31  19.097  -5.096  -5.096
  239   1HB   MET  31          2HB       MET  31  18.828  -4.524  -4.524
  240   2HB   MET  31          3HB       MET  31  18.494  -6.229  -6.229
  241   1HG   MET  31          2HG       MET  31  20.338  -6.896  -6.896
  242   2HG   MET  31          3HG       MET  31  21.357  -5.629  -5.629
  243   1HE   MET  31          3HE       MET  31  17.971  -5.792  -5.792
  244   2HE   MET  31          1HE       MET  31  18.769  -6.443  -6.443
  245   3HE   MET  31          2HE       MET  31  18.078  -4.803  -4.803
  246    H    ILE  32           HN       ILE  32  19.717  -2.828  -2.828
  247    HA   ILE  32           HA       ILE  32  22.637  -2.544  -2.544
  248    HB   ILE  32           HB       ILE  32  20.571  -1.122  -1.122
  249   1HG1  ILE  32          2HG1      ILE  32  23.222  -2.226  -2.226
  250   2HG1  ILE  32          3HG1      ILE  32  21.843  -3.286  -3.286
  251   1HG2  ILE  32          2HG2      ILE  32  22.041   0.537   0.537
  252   2HG2  ILE  32          3HG2      ILE  32  23.437  -0.215  -0.215
  253   3HG2  ILE  32          1HG2      ILE  32  22.157   0.557   0.557
  254   1HD1  ILE  32          3HD1      ILE  32  20.495  -1.849  -1.849
  255   2HD1  ILE  32          1HD1      ILE  32  21.909  -0.791  -0.791
  256   3HD1  ILE  32          2HD1      ILE  32  21.959  -2.477  -2.477
  257    H    ARG  33           HN       ARG  33  23.457  -0.636  -0.636
  258    HA   ARG  33           HA       ARG  33  21.582   0.927   0.927
  259   1HB   ARG  33          2HB       ARG  33  22.341   0.308   0.308
  260   2HB   ARG  33          3HB       ARG  33  21.760  -1.129  -1.129
  261   1HG   ARG  33          2HG       ARG  33  24.214  -1.559  -1.559
  262   2HG   ARG  33          3HG       ARG  33  24.660  -0.292  -0.292
  263   1HD   ARG  33          2HD       ARG  33  23.868  -1.523  -1.523
  264   2HD   ARG  33          3HD       ARG  33  22.897  -2.598  -2.598
  265    HE   ARG  33           HE       ARG  33  24.782  -3.936  -3.936
  266   1HH1  ARG  33          2HH2      ARG  33  25.830  -0.739  -0.739
  267   2HH1  ARG  33          1HH2      ARG  33  27.498  -1.188  -1.188
  268   1HH2  ARG  33          2HH1      ARG  33  26.982  -4.528  -4.528
  269   2HH2  ARG  33          1HH1      ARG  33  28.158  -3.358  -3.358
  270    H    ASP  34           HN       ASP  34  22.538   2.917   2.917
  271    HA   ASP  34           HA       ASP  34  25.027   3.463   3.463
  272   1HB   ASP  34          2HB       ASP  34  22.888   4.954   4.954
  273   2HB   ASP  34          3HB       ASP  34  24.489   5.638   5.638
  274    H    SER  35           HN       SER  35  26.923   4.425   4.425
  275    HA   SER  35           HA       SER  35  27.650   2.789   2.789
  276   1HB   SER  35          2HB       SER  35  29.172   4.085   4.085
  277   2HB   SER  35          3HB       SER  35  28.805   5.534   5.534
  278    HG   SER  35           HG       SER  35  30.804   4.119   4.119
  279    H    GLU  36           HN       GLU  36  28.354   3.624   3.624
  280    HA   GLU  36           HA       GLU  36  26.291   5.461   5.461
  281   1HB   GLU  36          2HB       GLU  36  27.412   2.913   2.913
  282   2HB   GLU  36          3HB       GLU  36  26.981   4.163   4.163
  283   1HG   GLU  36          2HG       GLU  36  24.725   3.950   3.950
  284   2HG   GLU  36          3HG       GLU  36  24.944   3.715   3.715
  285    H    THR  37           HN       THR  37  29.668   4.273   4.273
  286    HA   THR  37           HA       THR  37  30.258   6.681   6.681
  287    HB   THR  37           HB       THR  37  32.444   5.484   5.484
  288    HG1  THR  37           HG1      THR  37  32.668   3.489   3.489
  289   1HG2  THR  37          3HG2      THR  37  29.832   4.429   4.429
  290   2HG2  THR  37          1HG2      THR  37  30.950   3.082   3.082
  291   3HG2  THR  37          2HG2      THR  37  31.371   4.316   4.316
  292    H    THR  38           HN       THR  38  31.418   5.078   5.078
  293    HA   THR  38           HA       THR  38  32.724   7.588   7.588
  294    HB   THR  38           HB       THR  38  32.762   4.737   4.737
  295    HG1  THR  38           HG1      THR  38  33.990   5.125   5.125
  296   1HG2  THR  38          1HG2      THR  38  33.990   7.329   7.329
  297   2HG2  THR  38          2HG2      THR  38  34.890   5.803   5.803
  298   3HG2  THR  38          3HG2      THR  38  33.297   5.987   5.987
  299    H    LYS  39           HN       LYS  39  30.409   8.529   8.529
  300    HA   LYS  39           HA       LYS  39  28.535   7.848   7.848
  301   1HB   LYS  39          2HB       LYS  39  29.316  10.327  10.327
  302   2HB   LYS  39          3HB       LYS  39  28.322  10.554  10.554
  303   1HG   LYS  39          2HG       LYS  39  27.243   8.313   8.313
  304   2HG   LYS  39          3HG       LYS  39  27.527   9.602   9.602
  305   1HD   LYS  39          2HD       LYS  39  26.376  11.132  11.132
  306   2HD   LYS  39          3HD       LYS  39  25.742   9.613   9.613
  307   1HE   LYS  39          2HE       LYS  39  24.153   9.610   9.610
  308   2HE   LYS  39          3HE       LYS  39  25.390   9.608   9.608
  309   1HZ   LYS  39          2HZ       LYS  39  25.225  12.161  12.161
  310   2HZ   LYS  39          3HZ       LYS  39  23.715  11.682  11.682
  311   3HZ   LYS  39          1HZ       LYS  39  24.891  11.691  11.691
  312    H    GLY  40           HN       GLY  40  28.034   8.589   8.589
  313   1HA   GLY  40          1HA       GLY  40  28.620   9.671   9.671
  314   2HA   GLY  40          2HA       GLY  40  30.298   9.721   9.721
  315    H    SER  41           HN       SER  41  29.869   6.767   6.767
  316    HA   SER  41           HA       SER  41  30.318   5.622   5.622
  317   1HB   SER  41          2HB       SER  41  31.185   4.542   4.542
  318   2HB   SER  41          3HB       SER  41  31.619   3.872   3.872
  319    HG   SER  41           HG       SER  41  32.702   5.926   5.926
  320    H    TYR  42           HN       TYR  42  29.506   3.350   3.350
  321    HA   TYR  42           HA       TYR  42  27.046   2.917   2.917
  322   1HB   TYR  42          2HB       TYR  42  27.956   2.550   2.550
  323   2HB   TYR  42          3HB       TYR  42  26.627   1.576   1.576
  324    HD1  TYR  42           HD1      TYR  42  27.707   5.167   5.167
  325    HD2  TYR  42           HD2      TYR  42  24.456   2.386   2.386
  326    HE1  TYR  42           HE1      TYR  42  26.086   7.061   7.061
  327    HE2  TYR  42           HE2      TYR  42  22.846   4.289   4.289
  328    HH   TYR  42           HH       TYR  42  23.760   7.167   7.167
  329    H    SER  43           HN       SER  43  26.342   0.585   0.585
  330    HA   SER  43           HA       SER  43  28.551  -1.260  -1.260
  331   1HB   SER  43          2HB       SER  43  26.961  -1.085  -1.085
  332   2HB   SER  43          3HB       SER  43  28.383  -2.061  -2.061
  333    HG   SER  43           HG       SER  43  28.399   0.303   0.303
  334    H    LEU  44           HN       LEU  44  27.797  -3.113  -3.113
  335    HA   LEU  44           HA       LEU  44  24.904  -3.496  -3.496
  336   1HB   LEU  44          2HB       LEU  44  25.764  -3.394  -3.394
  337   2HB   LEU  44          3HB       LEU  44  27.165  -4.369  -4.369
  338    HG   LEU  44           HG       LEU  44  25.478  -6.292  -6.292
  339   1HD1  LEU  44          1HD1      LEU  44  23.717  -4.163  -4.163
  340   2HD1  LEU  44          2HD1      LEU  44  23.537  -5.743  -5.743
  341   3HD1  LEU  44          3HD1      LEU  44  23.340  -5.610  -5.610
  342   1HD2  LEU  44          3HD2      LEU  44  26.357  -5.152  -5.152
  343   2HD2  LEU  44          1HD2      LEU  44  26.906  -6.615  -6.615
  344   3HD2  LEU  44          2HD2      LEU  44  25.323  -6.601  -6.601
  345    H    SER  45           HN       SER  45  23.966  -5.583  -5.583
  346    HA   SER  45           HA       SER  45  25.756  -7.412  -7.412
  347   1HB   SER  45          2HB       SER  45  23.151  -6.464  -6.464
  348   2HB   SER  45          3HB       SER  45  24.306  -7.583  -7.583
  349    HG   SER  45           HG       SER  45  25.369  -5.911  -5.911
  350    H    VAL  46           HN       VAL  46  25.356  -9.458  -9.458
  351    HA   VAL  46           HA       VAL  46  22.618 -10.028 -10.028
  352    HB   VAL  46           HB       VAL  46  25.120 -11.013 -11.013
  353   1HG1  VAL  46          3HG1      VAL  46  22.167 -11.204 -11.204
  354   2HG1  VAL  46          1HG1      VAL  46  23.297 -11.207 -11.207
  355   3HG1  VAL  46          2HG1      VAL  46  23.427 -12.456 -12.456
  356   1HG2  VAL  46          2HG2      VAL  46  23.551  -8.483  -8.483
  357   2HG2  VAL  46          3HG2      VAL  46  25.311  -8.750  -8.750
  358   3HG2  VAL  46          1HG2      VAL  46  24.300  -9.309  -9.309
  359    H    ARG  47           HN       ARG  47  22.121 -12.403 -12.403
  360    HA   ARG  47           HA       ARG  47  23.352 -13.530 -13.530
  361   1HB   ARG  47          2HB       ARG  47  20.819 -13.421 -13.421
  362   2HB   ARG  47          3HB       ARG  47  20.991 -14.590 -14.590
  363   1HG   ARG  47          2HG       ARG  47  21.255 -16.336 -16.336
  364   2HG   ARG  47          3HG       ARG  47  22.381 -15.447 -15.447
  365   1HD   ARG  47          2HD       ARG  47  20.450 -14.206 -14.206
  366   2HD   ARG  47          3HD       ARG  47  19.338 -15.138 -15.138
  367    HE   ARG  47           HE       ARG  47  21.135 -16.864 -16.864
  368   1HH1  ARG  47          2HH2      ARG  47  18.198 -14.941 -14.941
  369   2HH1  ARG  47          1HH2      ARG  47  17.554 -15.865 -15.865
  370   1HH2  ARG  47          2HH1      ARG  47  20.285 -18.083 -18.083
  371   2HH2  ARG  47          1HH1      ARG  47  18.748 -17.664 -17.664
  372    H    ASP  48           HN       ASP  48  24.531 -15.498 -15.498
  373    HA   ASP  48           HA       ASP  48  24.709 -16.891 -16.891
  374   1HB   ASP  48          2HB       ASP  48  26.620 -15.153 -15.153
  375   2HB   ASP  48          3HB       ASP  48  27.196 -16.189 -16.189
  376    H    TYR  49           HN       TYR  49  25.833 -19.102 -19.102
  377    HA   TYR  49           HA       TYR  49  25.702 -19.934 -19.934
  378   1HB   TYR  49          2HB       TYR  49  23.647 -20.466 -20.466
  379   2HB   TYR  49          3HB       TYR  49  24.734 -21.479 -21.479
  380    HD1  TYR  49           HD1      TYR  49  25.688 -23.550 -23.550
  381    HD2  TYR  49           HD2      TYR  49  22.772 -21.185 -21.185
  382    HE1  TYR  49           HE1      TYR  49  25.213 -25.489 -25.489
  383    HE2  TYR  49           HE2      TYR  49  22.307 -23.132 -23.132
  384    HH   TYR  49           HH       TYR  49  23.438 -26.273 -26.273
  385    H    ASP  50           HN       ASP  50  26.969 -21.883 -21.883
  386    HA   ASP  50           HA       ASP  50  28.933 -22.447 -22.447
  387   1HB   ASP  50          2HB       ASP  50  29.439 -21.020 -21.020
  388   2HB   ASP  50          3HB       ASP  50  29.973 -22.646 -22.646
  389    HA   PRO  51           HA       PRO  51  27.974 -26.541 -26.541
  390   1HB   PRO  51          2HB       PRO  51  30.024 -27.921 -27.921
  391   2HB   PRO  51          3HB       PRO  51  28.596 -27.403 -27.403
  392   1HG   PRO  51          2HG       PRO  51  31.326 -26.271 -26.271
  393   2HG   PRO  51          3HG       PRO  51  30.019 -26.059 -26.059
  394   1HD   PRO  51          2HD       PRO  51  30.893 -24.169 -24.169
  395   2HD   PRO  51          3HD       PRO  51  29.515 -24.006 -24.006
  396    H    ARG  52           HN       ARG  52  30.475 -24.793 -24.793
  397    HA   ARG  52           HA       ARG  52  31.317 -27.011 -27.011
  398   1HB   ARG  52          2HB       ARG  52  32.522 -24.370 -24.370
  399   2HB   ARG  52          3HB       ARG  52  32.957 -24.983 -24.983
  400   1HG   ARG  52          2HG       ARG  52  34.596 -26.052 -26.052
  401   2HG   ARG  52          3HG       ARG  52  33.341 -27.266 -27.266
  402   1HD   ARG  52          2HD       ARG  52  32.590 -25.997 -25.997
  403   2HD   ARG  52          3HD       ARG  52  34.122 -25.153 -25.153
  404    HE   ARG  52           HE       ARG  52  33.722 -27.922 -27.922
  405   1HH1  ARG  52          2HH2      ARG  52  36.023 -25.706 -25.706
  406   2HH1  ARG  52          1HH2      ARG  52  37.409 -26.645 -26.645
  407   1HH2  ARG  52          2HH1      ARG  52  35.550 -29.162 -29.162
  408   2HH2  ARG  52          1HH1      ARG  52  37.138 -28.624 -28.624
  409    H    GLN  53           HN       GLN  53  30.611 -23.447 -23.447
  410    HA   GLN  53           HA       GLN  53  29.987 -23.841 -23.841
  411   1HB   GLN  53          2HB       GLN  53  29.876 -21.413 -21.413
  412   2HB   GLN  53          3HB       GLN  53  29.419 -21.342 -21.342
  413   1HG   GLN  53          2HG       GLN  53  31.839 -22.589 -22.589
  414   2HG   GLN  53          3HG       GLN  53  32.135 -21.683 -21.683
  415   1HE2  GLN  53          2HE2      GLN  53  33.098 -18.964 -18.964
  416   2HE2  GLN  53          1HE2      GLN  53  33.482 -20.164 -20.164
  417    H    GLY  54           HN       GLY  54  28.154 -22.613 -22.613
  418   1HA   GLY  54          1HA       GLY  54  25.989 -23.874 -23.874
  419   2HA   GLY  54          2HA       GLY  54  25.662 -23.409 -23.409
  420    H    ASP  55           HN       ASP  55  24.340 -21.663 -21.663
  421    HA   ASP  55           HA       ASP  55  23.907 -20.003 -20.003
  422   1HB   ASP  55          2HB       ASP  55  23.009 -19.361 -19.361
  423   2HB   ASP  55          3HB       ASP  55  22.194 -18.987 -18.987
  424    H    THR  56           HN       THR  56  24.851 -17.969 -17.969
  425    HA   THR  56           HA       THR  56  26.107 -16.538 -16.538
  426    HB   THR  56           HB       THR  56  28.309 -16.607 -16.607
  427    HG1  THR  56           HG1      THR  56  27.052 -17.884 -17.884
  428   1HG2  THR  56          1HG2      THR  56  27.566 -18.929 -18.929
  429   2HG2  THR  56          2HG2      THR  56  27.211 -19.328 -19.328
  430   3HG2  THR  56          3HG2      THR  56  28.877 -18.944 -18.944
  431    H    VAL  57           HN       VAL  57  27.002 -14.363 -14.363
  432    HA   VAL  57           HA       VAL  57  25.288 -13.458 -13.458
  433    HB   VAL  57           HB       VAL  57  25.815 -11.833 -11.833
  434   1HG1  VAL  57          1HG1      VAL  57  23.810 -11.659 -11.659
  435   2HG1  VAL  57          2HG1      VAL  57  23.714 -10.680 -10.680
  436   3HG1  VAL  57          3HG1      VAL  57  25.114 -10.515 -10.515
  437   1HG2  VAL  57          1HG2      VAL  57  23.626 -13.856 -13.856
  438   2HG2  VAL  57          2HG2      VAL  57  24.681 -13.677 -13.677
  439   3HG2  VAL  57          3HG2      VAL  57  23.402 -12.480 -12.480
  440    H    LYS  58           HN       LYS  58  26.326 -12.214 -12.214
  441    HA   LYS  58           HA       LYS  58  29.138 -11.641 -11.641
  442   1HB   LYS  58          2HB       LYS  58  27.611 -12.166 -12.166
  443   2HB   LYS  58          3HB       LYS  58  29.180 -11.386 -11.386
  444   1HG   LYS  58          2HG       LYS  58  29.032 -13.834 -13.834
  445   2HG   LYS  58          3HG       LYS  58  28.798 -14.118 -14.118
  446   1HD   LYS  58          2HD       LYS  58  31.115 -12.424 -12.424
  447   2HD   LYS  58          3HD       LYS  58  31.237 -14.170 -14.170
  448   1HE   LYS  58          2HE       LYS  58  30.355 -13.826 -13.826
  449   2HE   LYS  58          3HE       LYS  58  30.946 -12.191 -12.191
  450   1HZ   LYS  58          2HZ       LYS  58  33.000 -13.538 -13.538
  451   2HZ   LYS  58          3HZ       LYS  58  32.430 -14.658 -14.658
  452   3HZ   LYS  58          1HZ       LYS  58  32.830 -13.169 -13.169
  453    H    HIS  59           HN       HIS  59  30.026  -9.558  -9.558
  454    HA   HIS  59           HA       HIS  59  28.039  -7.490  -7.490
  455   1HB   HIS  59          2HB       HIS  59  30.111  -6.963  -6.963
  456   2HB   HIS  59          3HB       HIS  59  28.538  -6.226  -6.226
  457    HD1  HIS  59           HD1      HIS  59  26.444  -8.103  -8.103
  458    HD2  HIS  59           HD2      HIS  59  30.140  -8.702  -8.702
  459    HE1  HIS  59           HE1      HIS  59  25.997  -9.672  -9.672
  460    H    TYR  60           HN       TYR  60  28.704  -6.200  -6.200
  461    HA   TYR  60           HA       TYR  60  31.601  -6.122  -6.122
  462   1HB   TYR  60          2HB       TYR  60  29.230  -5.721  -5.721
  463   2HB   TYR  60          3HB       TYR  60  30.902  -5.975  -5.975
  464    HD1  TYR  60           HD1      TYR  60  31.915  -8.220  -8.220
  465    HD2  TYR  60           HD2      TYR  60  27.803  -7.585  -7.585
  466    HE1  TYR  60           HE1      TYR  60  31.480 -10.718 -10.718
  467    HE2  TYR  60           HE2      TYR  60  27.381 -10.086 -10.086
  468    HH   TYR  60           HH       TYR  60  28.962 -12.071 -12.071
  469    H    LYS  61           HN       LYS  61  32.556  -4.148  -4.148
  470    HA   LYS  61           HA       LYS  61  30.943  -1.882  -1.882
  471   1HB   LYS  61          2HB       LYS  61  33.007  -0.748  -0.748
  472   2HB   LYS  61          3HB       LYS  61  33.187  -2.368  -2.368
  473   1HG   LYS  61          2HG       LYS  61  35.151  -2.256  -2.256
  474   2HG   LYS  61          3HG       LYS  61  34.095  -2.886  -2.886
  475   1HD   LYS  61          2HD       LYS  61  33.891  -0.787  -0.787
  476   2HD   LYS  61          3HD       LYS  61  34.333   0.112   0.112
  477   1HE   LYS  61          2HE       LYS  61  36.377  -1.781  -1.781
  478   2HE   LYS  61          3HE       LYS  61  36.079  -0.275  -0.275
  479   1HZ   LYS  61          3HZ       LYS  61  36.278   0.541   0.541
  480   2HZ   LYS  61          1HZ       LYS  61  37.331  -0.706  -0.706
  481   3HZ   LYS  61          2HZ       LYS  61  37.524   0.519   0.519
  482    H    ILE  62           HN       ILE  62  30.681   0.051   0.051
  483    HA   ILE  62           HA       ILE  62  31.255  -0.329  -0.329
  484    HB   ILE  62           HB       ILE  62  28.752   0.644   0.644
  485   1HG1  ILE  62          2HG1      ILE  62  28.865  -1.273  -1.273
  486   2HG1  ILE  62          3HG1      ILE  62  29.332  -1.842  -1.842
  487   1HG2  ILE  62          3HG2      ILE  62  29.897   1.488   1.488
  488   2HG2  ILE  62          1HG2      ILE  62  28.207   0.933   0.933
  489   3HG2  ILE  62          2HG2      ILE  62  28.665   2.260   2.260
  490   1HD1  ILE  62          2HD1      ILE  62  26.828  -0.225  -0.225
  491   2HD1  ILE  62          3HD1      ILE  62  26.746  -1.788  -1.788
  492   3HD1  ILE  62          1HD1      ILE  62  27.191  -1.732  -1.732
  493    H    ARG  63           HN       ARG  63  32.789   1.088   1.088
  494    HA   ARG  63           HA       ARG  63  32.959   3.550   3.550
  495   1HB   ARG  63          2HB       ARG  63  34.874   1.982   1.982
  496   2HB   ARG  63          3HB       ARG  63  35.165   3.693   3.693
  497   1HG   ARG  63          2HG       ARG  63  34.669   1.844   1.844
  498   2HG   ARG  63          3HG       ARG  63  36.268   2.005   2.005
  499   1HD   ARG  63          2HD       ARG  63  35.834   4.611   4.611
  500   2HD   ARG  63          3HD       ARG  63  34.600   4.114   4.114
  501    HE   ARG  63           HE       ARG  63  36.291   3.602   3.602
  502   1HH1  ARG  63          2HH2      ARG  63  37.642   3.508   3.508
  503   2HH1  ARG  63          1HH2      ARG  63  39.261   3.219   3.219
  504   1HH2  ARG  63          2HH1      ARG  63  38.426   3.221   3.221
  505   2HH2  ARG  63          1HH1      ARG  63  39.710   3.055   3.055
  506    H    THR  64           HN       THR  64  33.545   5.589   5.589
  507    HA   THR  64           HA       THR  64  32.062   5.525   5.525
  508    HB   THR  64           HB       THR  64  31.319   7.803   7.803
  509    HG1  THR  64           HG1      THR  64  32.813   7.319   7.319
  510   1HG2  THR  64          3HG2      THR  64  31.121   5.870   5.870
  511   2HG2  THR  64          1HG2      THR  64  30.242   7.415   7.415
  512   3HG2  THR  64          2HG2      THR  64  29.900   6.135   6.135
  513    H    LEU  65           HN       LEU  65  32.743   7.186   7.186
  514    HA   LEU  65           HA       LEU  65  35.665   7.414   7.414
  515   1HB   LEU  65          2HB       LEU  65  33.804   7.372   7.372
  516   2HB   LEU  65          3HB       LEU  65  35.548   7.537   7.537
  517    HG   LEU  65           HG       LEU  65  34.379   5.139   5.139
  518   1HD1  LEU  65          3HD1      LEU  65  33.446   5.735   5.735
  519   2HD1  LEU  65          1HD1      LEU  65  34.907   4.804   4.804
  520   3HD1  LEU  65          2HD1      LEU  65  33.654   4.083   4.083
  521   1HD2  LEU  65          1HD2      LEU  65  36.824   5.639   5.639
  522   2HD2  LEU  65          2HD2      LEU  65  36.409   4.069   4.069
  523   3HD2  LEU  65          3HD2      LEU  65  36.844   5.446   5.446
  524    H    ASP  66           HN       ASP  66  36.638   9.406   9.406
  525    HA   ASP  66           HA       ASP  66  35.583  11.628  11.628
  526   1HB   ASP  66          2HB       ASP  66  37.740  10.990  10.990
  527   2HB   ASP  66          3HB       ASP  66  37.094  12.599  12.599
  528    H    ASN  67           HN       ASN  67  35.532  10.557  10.557
  529    HA   ASN  67           HA       ASN  67  33.256  12.340  12.340
  530   1HB   ASN  67          2HB       ASN  67  35.793  12.120  12.120
  531   2HB   ASN  67          3HB       ASN  67  34.352  12.103  12.103
  532   1HD2  ASN  67          2HD2      ASN  67  35.160  15.615  15.615
  533   2HD2  ASN  67          1HD2      ASN  67  35.645  14.137  14.137
  534    H    GLY  68           HN       GLY  68  32.098  10.223  10.223
  535   1HA   GLY  68          1HA       GLY  68  31.411   8.801   8.801
  536   2HA   GLY  68          2HA       GLY  68  32.344   7.823   7.823
  537    H    GLY  69           HN       GLY  69  31.270   6.772   6.772
  538   1HA   GLY  69          1HA       GLY  69  28.930   7.928   7.928
  539   2HA   GLY  69          2HA       GLY  69  28.575   6.561   6.561
  540    H    PHE  70           HN       PHE  70  28.728   4.527   4.527
  541    HA   PHE  70           HA       PHE  70  30.436   4.233   4.233
  542   1HB   PHE  70          2HB       PHE  70  27.672   3.003   3.003
  543   2HB   PHE  70          3HB       PHE  70  28.595   2.776   2.776
  544    HD1  PHE  70           HD2      PHE  70  26.729   5.267   5.267
  545    HD2  PHE  70           HD1      PHE  70  28.512   4.371   4.371
  546    HE1  PHE  70           HE2      PHE  70  25.603   7.267   7.267
  547    HE2  PHE  70           HE1      PHE  70  27.386   6.371   6.371
  548   1HZ   PHE  70           HZ       PHE  70  25.945   7.796   7.796
  549    H    TYR  71           HN       TYR  71  31.620   2.315   2.315
  550    HA   TYR  71           HA       TYR  71  31.029   0.226   0.226
  551   1HB   TYR  71          2HB       TYR  71  33.325   0.367   0.367
  552   2HB   TYR  71          3HB       TYR  71  32.668   1.990   1.990
  553    HD1  TYR  71           HD2      TYR  71  33.141   3.479   3.479
  554    HD2  TYR  71           HD1      TYR  71  35.429   0.051   0.051
  555    HE1  TYR  71           HE2      TYR  71  35.109   4.327   4.327
  556    HE2  TYR  71           HE1      TYR  71  37.390   0.910   0.910
  557    HH   TYR  71           HH       TYR  71  37.271   4.086   4.086
  558    H    ILE  72           HN       ILE  72  31.911  -1.834  -1.834
  559    HA   ILE  72           HA       ILE  72  32.893  -1.890  -1.890
  560    HB   ILE  72           HB       ILE  72  31.232  -3.864  -3.864
  561   1HG1  ILE  72          2HG1      ILE  72  30.623  -2.308  -2.308
  562   2HG1  ILE  72          3HG1      ILE  72  30.054  -1.881  -1.881
  563   1HG2  ILE  72          1HG2      ILE  72  33.154  -4.515  -4.515
  564   2HG2  ILE  72          2HG2      ILE  72  31.630  -4.486  -4.486
  565   3HG2  ILE  72          3HG2      ILE  72  31.782  -5.523  -5.523
  566   1HD1  ILE  72          1HD1      ILE  72  29.550  -4.710  -4.710
  567   2HD1  ILE  72          2HD1      ILE  72  28.645  -3.463  -3.463
  568   3HD1  ILE  72          3HD1      ILE  72  28.497  -3.575  -3.575
  569    H    SER  73           HN       SER  73  33.170  -3.392  -3.392
  570    HA   SER  73           HA       SER  73  35.778  -4.367  -4.367
  571   1HB   SER  73          2HB       SER  73  33.878  -5.885  -5.885
  572   2HB   SER  73          3HB       SER  73  34.393  -5.199  -5.199
  573    HG   SER  73           HG       SER  73  35.923  -6.794  -6.794
  574    HA   PRO  74           HA       PRO  74  37.578  -1.478  -1.478
  575   1HB   PRO  74          2HB       PRO  74  40.085  -2.533  -2.533
  576   2HB   PRO  74          3HB       PRO  74  39.590  -1.573  -1.573
  577   1HG   PRO  74          2HG       PRO  74  39.982  -4.498  -4.498
  578   2HG   PRO  74          3HG       PRO  74  39.909  -3.485  -3.485
  579   1HD   PRO  74          2HD       PRO  74  37.837  -5.202  -5.202
  580   2HD   PRO  74          3HD       PRO  74  37.725  -4.102  -4.102
  581    H    ARG  75           HN       ARG  75  35.786  -2.757  -2.757
  582    HA   ARG  75           HA       ARG  75  37.318  -3.290  -3.290
  583   1HB   ARG  75          2HB       ARG  75  34.988  -5.002  -5.002
  584   2HB   ARG  75          3HB       ARG  75  35.751  -5.188  -5.188
  585   1HG   ARG  75          2HG       ARG  75  37.515  -5.245  -5.245
  586   2HG   ARG  75          3HG       ARG  75  36.521  -6.649  -6.649
  587   1HD   ARG  75          2HD       ARG  75  37.604  -6.085  -6.085
  588   2HD   ARG  75          3HD       ARG  75  38.922  -5.668  -5.668
  589    HE   ARG  75           HE       ARG  75  37.916  -8.147  -8.147
  590   1HH1  ARG  75          2HH2      ARG  75  39.443  -6.873  -6.873
  591   2HH1  ARG  75          1HH2      ARG  75  40.172  -8.383  -8.383
  592   1HH2  ARG  75          2HH1      ARG  75  38.878 -10.140 -10.140
  593   2HH2  ARG  75          1HH1      ARG  75  39.849 -10.254 -10.254
  594    H    SER  76           HN       SER  76  33.841  -3.352  -3.352
  595    HA   SER  76           HA       SER  76  33.354  -1.272  -1.272
  596   1HB   SER  76          2HB       SER  76  31.510  -3.587  -3.587
  597   2HB   SER  76          3HB       SER  76  31.104  -2.296  -2.296
  598    HG   SER  76           HG       SER  76  32.338  -4.592  -4.592
  599    H    THR  77           HN       THR  77  32.248   0.532   0.532
  600    HA   THR  77           HA       THR  77  31.244   0.344   0.344
  601    HB   THR  77           HB       THR  77  31.893   2.716   2.716
  602    HG1  THR  77           HG1      THR  77  31.660   3.608   3.608
  603   1HG2  THR  77          2HG2      THR  77  33.825   0.644   0.644
  604   2HG2  THR  77          3HG2      THR  77  34.351   2.225   2.225
  605   3HG2  THR  77          1HG2      THR  77  34.035   2.017   2.017
  606    H    PHE  78           HN       PHE  78  29.493   2.058   2.058
  607    HA   PHE  78           HA       PHE  78  27.727   2.286   2.286
  608   1HB   PHE  78          2HB       PHE  78  26.911   1.521   1.521
  609   2HB   PHE  78          3HB       PHE  78  25.879   1.487   1.487
  610    HD1  PHE  78           HD2      PHE  78  28.751  -0.167  -0.167
  611    HD2  PHE  78           HD1      PHE  78  25.818  -0.408  -0.408
  612    HE1  PHE  78           HE2      PHE  78  29.333  -2.580  -2.580
  613    HE2  PHE  78           HE1      PHE  78  26.401  -2.822  -2.822
  614   1HZ   PHE  78           HZ       PHE  78  28.151  -3.879  -3.879
  615    H    SER  79           HN       SER  79  26.675   4.245   4.245
  616    HA   SER  79           HA       SER  79  27.567   6.310   6.310
  617   1HB   SER  79          2HB       SER  79  25.576   6.027   6.027
  618   2HB   SER  79          3HB       SER  79  25.486   7.475   7.475
  619    HG   SER  79           HG       SER  79  27.004   8.164   8.164
  620    H    THR  80           HN       THR  80  24.813   4.096   4.096
  621    HA   THR  80           HA       THR  80  23.885   5.453   5.453
  622    HB   THR  80           HB       THR  80  21.530   4.907   4.907
  623    HG1  THR  80           HG1      THR  80  21.474   3.771   3.771
  624   1HG2  THR  80          1HG2      THR  80  23.108   7.093   7.093
  625   2HG2  THR  80          2HG2      THR  80  22.557   6.458   6.458
  626   3HG2  THR  80          3HG2      THR  80  21.367   6.934   6.934
  627    H    LEU  81           HN       LEU  81  22.540   3.994   3.994
  628    HA   LEU  81           HA       LEU  81  23.908   1.453   1.453
  629   1HB   LEU  81          2HB       LEU  81  22.183   3.074   3.074
  630   2HB   LEU  81          3HB       LEU  81  22.353   1.354   1.354
  631    HG   LEU  81           HG       LEU  81  24.790   3.094   3.094
  632   1HD1  LEU  81          2HD1      LEU  81  22.848   3.183   3.183
  633   2HD1  LEU  81          3HD1      LEU  81  24.513   2.842   2.842
  634   3HD1  LEU  81          1HD1      LEU  81  24.164   4.304   4.304
  635   1HD2  LEU  81          1HD2      LEU  81  24.224   0.445   0.445
  636   2HD2  LEU  81          2HD2      LEU  81  25.274   0.770   0.770
  637   3HD2  LEU  81          3HD2      LEU  81  25.739   1.355   1.355
  638    H    GLN  82           HN       GLN  82  20.852   2.809   2.809
  639    HA   GLN  82           HA       GLN  82  19.339   0.479   0.479
  640   1HB   GLN  82          2HB       GLN  82  18.331   2.710   2.710
  641   2HB   GLN  82          3HB       GLN  82  19.041   2.851   2.851
  642   1HG   GLN  82          2HG       GLN  82  16.907   2.096   2.096
  643   2HG   GLN  82          3HG       GLN  82  17.760   0.568   0.568
  644   1HE2  GLN  82          2HE2      GLN  82  15.147   1.737   1.737
  645   2HE2  GLN  82          1HE2      GLN  82  15.950   2.889   2.889
  646    H    GLU  83           HN       GLU  83  21.738   1.594   1.594
  647    HA   GLU  83           HA       GLU  83  20.909  -0.305  -0.305
  648   1HB   GLU  83          2HB       GLU  83  23.313   1.558   1.558
  649   2HB   GLU  83          3HB       GLU  83  23.025   0.500   0.500
  650   1HG   GLU  83          2HG       GLU  83  20.654   2.115   2.115
  651   2HG   GLU  83          3HG       GLU  83  22.027   3.084   3.084
  652    H    LEU  84           HN       LEU  84  23.123  -0.123  -0.123
  653    HA   LEU  84           HA       LEU  84  24.708  -2.352  -2.352
  654   1HB   LEU  84          2HB       LEU  84  25.803  -0.668  -0.668
  655   2HB   LEU  84          3HB       LEU  84  24.586  -0.693  -0.693
  656    HG   LEU  84           HG       LEU  84  26.311  -3.105  -3.105
  657   1HD1  LEU  84          2HD1      LEU  84  27.127  -0.548  -0.548
  658   2HD1  LEU  84          3HD1      LEU  84  27.416  -1.936  -1.936
  659   3HD1  LEU  84          1HD1      LEU  84  28.106  -1.923  -1.923
  660   1HD2  LEU  84          3HD2      LEU  84  24.209  -2.451  -2.451
  661   2HD2  LEU  84          1HD2      LEU  84  25.002  -4.010  -4.010
  662   3HD2  LEU  84          2HD2      LEU  84  25.711  -2.882  -2.882
  663    H    VAL  85           HN       VAL  85  21.785  -1.747  -1.747
  664    HA   VAL  85           HA       VAL  85  21.806  -4.272  -4.272
  665    HB   VAL  85           HB       VAL  85  19.837  -2.045  -2.045
  666   1HG1  VAL  85          1HG1      VAL  85  19.260  -4.821  -4.821
  667   2HG1  VAL  85          2HG1      VAL  85  18.346  -3.410  -3.410
  668   3HG1  VAL  85          3HG1      VAL  85  18.326  -3.829  -3.829
  669   1HG2  VAL  85          2HG2      VAL  85  21.535  -3.114  -3.114
  670   2HG2  VAL  85          3HG2      VAL  85  21.149  -1.433  -1.433
  671   3HG2  VAL  85          1HG2      VAL  85  19.956  -2.418  -2.418
  672    H    ASP  86           HN       ASP  86  20.320  -2.913  -2.913
  673    HA   ASP  86           HA       ASP  86  18.800  -5.163  -5.163
  674   1HB   ASP  86          2HB       ASP  86  19.973  -2.940  -2.940
  675   2HB   ASP  86          3HB       ASP  86  19.006  -4.215  -4.215
  676    H    HIS  87           HN       HIS  87  22.143  -4.097  -4.097
  677    HA   HIS  87           HA       HIS  87  22.659  -6.159  -6.159
  678   1HB   HIS  87          2HB       HIS  87  23.897  -3.985  -3.985
  679   2HB   HIS  87          3HB       HIS  87  24.646  -4.619  -4.619
  680    HD1  HIS  87           HD1      HIS  87  26.240  -6.777  -6.777
  681    HD2  HIS  87           HD2      HIS  87  25.084  -4.765  -4.765
  682    HE1  HIS  87           HE1      HIS  87  27.833  -7.557  -7.557
  683    H    TYR  88           HN       TYR  88  22.802  -5.911  -5.911
  684    HA   TYR  88           HA       TYR  88  24.288  -8.341  -8.341
  685   1HB   TYR  88          2HB       TYR  88  22.783  -6.274  -6.274
  686   2HB   TYR  88          3HB       TYR  88  23.119  -7.812  -7.812
  687    HD1  TYR  88           HD1      TYR  88  25.496  -6.495  -6.495
  688    HD2  TYR  88           HD2      TYR  88  24.507  -6.692  -6.692
  689    HE1  TYR  88           HE1      TYR  88  27.831  -5.688  -5.688
  690    HE2  TYR  88           HE2      TYR  88  26.845  -5.883  -5.883
  691    HH   TYR  88           HH       TYR  88  29.038  -5.864  -5.864
  692    H    LYS  89           HN       LYS  89  20.962  -7.491  -7.491
  693    HA   LYS  89           HA       LYS  89  19.914  -9.858  -9.858
  694   1HB   LYS  89          2HB       LYS  89  18.712  -7.589  -7.589
  695   2HB   LYS  89          3HB       LYS  89  17.779  -9.010  -9.010
  696   1HG   LYS  89          2HG       LYS  89  19.120  -8.250  -8.250
  697   2HG   LYS  89          3HG       LYS  89  18.554  -6.751  -6.751
  698   1HD   LYS  89          2HD       LYS  89  16.386  -8.538  -8.538
  699   2HD   LYS  89          3HD       LYS  89  17.010  -8.903  -8.903
  700   1HE   LYS  89          2HE       LYS  89  15.597  -7.151  -7.151
  701   2HE   LYS  89          3HE       LYS  89  17.048  -6.227  -6.227
  702   1HZ   LYS  89          1HZ       LYS  89  16.127  -6.210  -6.210
  703   2HZ   LYS  89          2HZ       LYS  89  14.695  -6.567  -6.567
  704   3HZ   LYS  89          3HZ       LYS  89  15.481  -5.195  -5.195
  705    H    LYS  90           HN       LYS  90  21.198  -8.846  -8.846
  706    HA   LYS  90           HA       LYS  90  19.948 -11.008 -11.008
  707   1HB   LYS  90          2HB       LYS  90  22.066  -8.986  -8.986
  708   2HB   LYS  90          3HB       LYS  90  21.398 -10.187 -10.187
  709   1HG   LYS  90          2HG       LYS  90  19.090  -9.081  -9.081
  710   2HG   LYS  90          3HG       LYS  90  20.161  -7.694  -7.694
  711   1HD   LYS  90          2HD       LYS  90  20.724  -8.331  -8.331
  712   2HD   LYS  90          3HD       LYS  90  19.357  -9.424  -9.424
  713   1HE   LYS  90          2HE       LYS  90  17.866  -7.721  -7.721
  714   2HE   LYS  90          3HE       LYS  90  18.613  -6.793  -6.793
  715   1HZ   LYS  90          3HZ       LYS  90  20.086  -6.924  -6.924
  716   2HZ   LYS  90          1HZ       LYS  90  18.691  -6.075  -6.075
  717   3HZ   LYS  90          2HZ       LYS  90  19.859  -5.663  -5.663
  718    H    GLY  91           HN       GLY  91  22.987 -10.331 -10.331
  719   1HA   GLY  91          1HA       GLY  91  23.625 -13.058 -13.058
  720   2HA   GLY  91          2HA       GLY  91  24.562 -12.386 -12.386
  721    H    ASN  92           HN       ASN  92  25.584 -13.365 -13.365
  722    HA   ASN  92           HA       ASN  92  26.042 -11.392 -11.392
  723   1HB   ASN  92          2HB       ASN  92  28.250 -12.744 -12.744
  724   2HB   ASN  92          3HB       ASN  92  26.726 -13.588 -13.588
  725   1HD2  ASN  92          1HD2      ASN  92  29.610 -14.222 -14.222
  726   2HD2  ASN  92          2HD2      ASN  92  29.411 -15.224 -15.224
  727    H    ASP  93           HN       ASP  93  28.049 -12.443 -12.443
  728    HA   ASP  93           HA       ASP  93  29.785 -11.534 -11.534
  729   1HB   ASP  93          2HB       ASP  93  27.643 -10.089 -10.089
  730   2HB   ASP  93          3HB       ASP  93  28.443  -8.832  -8.832
  731    H    GLY  94           HN       GLY  94  30.713 -11.873 -11.873
  732   1HA   GLY  94          1HA       GLY  94  32.756 -10.606 -10.606
  733   2HA   GLY  94          2HA       GLY  94  31.673  -9.253  -9.253
  734    H    LEU  95           HN       LEU  95  29.385 -10.612 -10.612
  735    HA   LEU  95           HA       LEU  95  30.274 -10.937 -10.937
  736   1HB   LEU  95          2HB       LEU  95  27.560 -11.416 -11.416
  737   2HB   LEU  95          3HB       LEU  95  27.905 -11.309 -11.309
  738    HG   LEU  95           HG       LEU  95  28.390  -9.043  -9.043
  739   1HD1  LEU  95          1HD1      LEU  95  25.916  -9.946  -9.946
  740   2HD1  LEU  95          2HD1      LEU  95  26.277  -8.206  -8.206
  741   3HD1  LEU  95          3HD1      LEU  95  26.142  -8.982  -8.982
  742   1HD2  LEU  95          2HD2      LEU  95  28.417  -9.212  -9.212
  743   2HD2  LEU  95          3HD2      LEU  95  29.756  -8.781  -8.781
  744   3HD2  LEU  95          1HD2      LEU  95  28.370  -7.680  -7.680
  745    H    CYS  96           HN       CYS  96  29.210 -12.950 -12.950
  746    HA   CYS  96           HA       CYS  96  30.582 -15.203 -15.203
  747   1HB   CYS  96          2HB       CYS  96  29.899 -16.323 -16.323
  748   2HB   CYS  96          3HB       CYS  96  30.741 -14.809 -14.809
  749    HG   CYS  96           HG       CYS  96  28.860 -14.924 -14.924
  750    H    GLN  97           HN       GLN  97  27.207 -14.075 -14.075
  751    HA   GLN  97           HA       GLN  97  26.354 -16.071 -16.071
  752   1HB   GLN  97          2HB       GLN  97  25.076 -15.805 -15.805
  753   2HB   GLN  97          3HB       GLN  97  24.454 -16.794 -16.794
  754   1HG   GLN  97          2HG       GLN  97  26.905 -17.844 -17.844
  755   2HG   GLN  97          3HG       GLN  97  26.968 -17.186 -17.186
  756   1HE2  GLN  97          2HE2      GLN  97  24.487 -19.302 -19.302
  757   2HE2  GLN  97          1HE2      GLN  97  25.229 -17.739 -17.739
  758    H    LYS  98           HN       LYS  98  24.712 -15.305 -15.305
  759    HA   LYS  98           HA       LYS  98  24.251 -12.610 -12.610
  760   1HB   LYS  98          2HB       LYS  98  22.639 -13.130 -13.130
  761   2HB   LYS  98          3HB       LYS  98  23.885 -14.358 -14.358
  762   1HG   LYS  98          2HG       LYS  98  21.779 -15.132 -15.132
  763   2HG   LYS  98          3HG       LYS  98  21.114 -14.795 -14.795
  764   1HD   LYS  98          2HD       LYS  98  23.260 -16.271 -16.271
  765   2HD   LYS  98          3HD       LYS  98  23.049 -16.939 -16.939
  766   1HE   LYS  98          2HE       LYS  98  20.534 -17.215 -17.215
  767   2HE   LYS  98          3HE       LYS  98  21.030 -16.902 -16.902
  768   1HZ   LYS  98          1HZ       LYS  98  22.435 -18.923 -18.923
  769   2HZ   LYS  98          2HZ       LYS  98  21.001 -19.287 -19.287
  770   3HZ   LYS  98          3HZ       LYS  98  22.258 -18.816 -18.816
  771    H    LEU  99           HN       LEU  99  22.022 -11.501 -11.501
  772    HA   LEU  99           HA       LEU  99  21.114 -11.972 -11.972
  773   1HB   LEU  99          2HB       LEU  99  20.684  -9.733  -9.733
  774   2HB   LEU  99          3HB       LEU  99  19.889  -9.807  -9.807
  775    HG   LEU  99           HG       LEU  99  22.865  -9.587  -9.587
  776   1HD1  LEU  99          3HD1      LEU  99  21.434  -7.537  -7.537
  777   2HD1  LEU  99          1HD1      LEU  99  21.032  -7.652  -7.652
  778   3HD1  LEU  99          2HD1      LEU  99  22.720  -7.401  -7.401
  779   1HD2  LEU  99          3HD2      LEU  99  21.436 -10.584 -10.584
  780   2HD2  LEU  99          1HD2      LEU  99  23.172 -10.622 -10.622
  781   3HD2  LEU  99          2HD2      LEU  99  22.462  -9.179  -9.179
  782    H    SER 100           HN       SER 100  18.907 -12.338 -12.338
  783    HA   SER 100           HA       SER 100  17.424 -13.492 -13.492
  784   1HB   SER 100          2HB       SER 100  16.261 -14.859 -14.859
  785   2HB   SER 100          3HB       SER 100  17.995 -15.105 -15.105
  786    HG   SER 100           HG       SER 100  16.665 -14.658 -14.658
  787    H    VAL 101           HN       VAL 101  16.472 -12.320 -12.320
  788    HA   VAL 101           HA       VAL 101  14.779 -10.312 -10.312
  789    HB   VAL 101           HB       VAL 101  12.909 -10.939 -10.939
  790   1HG1  VAL 101          1HG1      VAL 101  13.312 -11.933 -11.933
  791   2HG1  VAL 101          2HG1      VAL 101  13.775 -13.427 -13.427
  792   3HG1  VAL 101          3HG1      VAL 101  12.137 -12.760 -12.760
  793   1HG2  VAL 101          3HG2      VAL 101  14.830 -12.367 -12.367
  794   2HG2  VAL 101          1HG2      VAL 101  13.072 -12.330 -12.330
  795   3HG2  VAL 101          2HG2      VAL 101  13.786 -13.611 -13.611
  796    HA   PRO 102           HA       PRO 102  16.279  -7.891  -7.891
  797   1HB   PRO 102          2HB       PRO 102  14.389  -5.922  -5.922
  798   2HB   PRO 102          3HB       PRO 102  15.660  -5.944  -5.944
  799   1HG   PRO 102          2HG       PRO 102  12.792  -6.583  -6.583
  800   2HG   PRO 102          3HG       PRO 102  13.973  -6.189  -6.189
  801   1HD   PRO 102          2HD       PRO 102  12.955  -8.795  -8.795
  802   2HD   PRO 102          3HD       PRO 102  14.219  -8.414  -8.414
  803    H    CYS 103           HN       CYS 103  16.051  -7.115  -7.115
  804    HA   CYS 103           HA       CYS 103  15.044  -9.015  -9.015
  805   1HB   CYS 103          2HB       CYS 103  16.514  -7.099  -7.099
  806   2HB   CYS 103          3HB       CYS 103  15.107  -6.055  -6.055
  807    HG   CYS 103           HG       CYS 103  15.641  -8.822  -8.822
  808    H    MET 104           HN       MET 104  13.066  -9.040  -9.040
  809    HA   MET 104           HA       MET 104  10.782  -8.436  -8.436
  810   1HB   MET 104          2HB       MET 104  11.180  -9.656  -9.656
  811   2HB   MET 104          3HB       MET 104   9.602  -9.501  -9.501
  812   1HG   MET 104          2HG       MET 104  10.864 -10.736 -10.736
  813   2HG   MET 104          3HG       MET 104  11.888 -11.314 -11.314
  814   1HE   MET 104          1HE       MET 104   8.463 -10.295 -10.295
  815   2HE   MET 104          2HE       MET 104   7.635 -11.846 -11.846
  816   3HE   MET 104          3HE       MET 104   7.548 -11.062 -11.062
  817    H    SER 105           HN       SER 105   8.888  -7.195  -7.195
  818    HA   SER 105           HA       SER 105   9.112  -5.598  -5.598
  819   1HB   SER 105          2HB       SER 105  10.602  -4.569  -4.569
  820   2HB   SER 105          3HB       SER 105   9.070  -3.746  -3.746
  821    HG   SER 105           HG       SER 105  10.753  -3.752  -3.752
  822    H    SER 106           HN       SER 106   7.003  -6.715  -6.715
  823    HA   SER 106           HA       SER 106   5.036  -5.351  -5.351
  824   1HB   SER 106          2HB       SER 106   3.718  -7.375  -7.375
  825   2HB   SER 106          3HB       SER 106   5.351  -7.765  -7.765
  826    HG   SER 106           HG       SER 106   5.756  -8.664  -8.664
  827    H    LYS 107           HN       LYS 107   3.009  -4.837  -4.837
  828    HA   LYS 107           HA       LYS 107   3.014  -5.319  -5.319
  829   1HB   LYS 107          2HB       LYS 107   2.397  -3.031  -3.031
  830   2HB   LYS 107          3HB       LYS 107   3.915  -3.061  -3.061
  831   1HG   LYS 107          2HG       LYS 107   2.571  -2.709  -2.709
  832   2HG   LYS 107          3HG       LYS 107   1.157  -2.452  -2.452
  833   1HD   LYS 107          2HD       LYS 107   2.493  -0.625  -0.625
  834   2HD   LYS 107          3HD       LYS 107   3.717  -0.795  -0.795
  835   1HE   LYS 107          2HE       LYS 107   0.978  -0.508  -0.508
  836   2HE   LYS 107          3HE       LYS 107   1.483   0.872   0.872
  837   1HZ   LYS 107          2HZ       LYS 107   3.564   0.000   0.000
  838   2HZ   LYS 107          3HZ       LYS 107   2.220   0.311   0.311
  839   3HZ   LYS 107          1HZ       LYS 107   2.856   1.469   1.469

  Start of MODEL    2
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.901   0.693   0.693
    3   1HB   MET   1          2HB       MET   1   2.099  -2.122  -2.122
    4   2HB   MET   1          3HB       MET   1   2.299  -1.702  -1.702
    5   1HG   MET   1          2HG       MET   1   4.578  -0.731  -0.731
    6   2HG   MET   1          3HG       MET   1   4.375  -1.303  -1.303
    7   1HE   MET   1          1HE       MET   1   6.604  -2.092  -2.092
    8   2HE   MET   1          2HE       MET   1   6.855  -3.827  -3.827
    9   3HE   MET   1          3HE       MET   1   6.905  -2.665  -2.665
   10    H    GLU   2           HN       GLU   2  -0.128  -1.060  -1.060
   11    HA   GLU   2           HA       GLU   2  -0.768   1.178   1.178
   12   1HB   GLU   2          2HB       GLU   2   0.213  -1.435  -1.435
   13   2HB   GLU   2          3HB       GLU   2  -1.198  -0.764  -0.764
   14   1HG   GLU   2          2HG       GLU   2   0.121   0.697   0.697
   15   2HG   GLU   2          3HG       GLU   2   0.628   1.412   1.412
   16    H    THR   3           HN       THR   3  -2.774   1.550   1.550
   17    HA   THR   3           HA       THR   3  -4.794  -0.456  -0.456
   18    HB   THR   3           HB       THR   3  -5.434  -0.445  -0.445
   19    HG1  THR   3           HG1      THR   3  -4.194   0.901   0.901
   20   1HG2  THR   3          1HG2      THR   3  -3.864  -2.252  -2.252
   21   2HG2  THR   3          2HG2      THR   3  -2.520  -1.299  -1.299
   22   3HG2  THR   3          3HG2      THR   3  -3.745  -2.001  -2.001
   23    H    GLU   4           HN       GLU   4  -6.794   0.678   0.678
   24    HA   GLU   4           HA       GLU   4  -6.957   3.293   3.293
   25   1HB   GLU   4          2HB       GLU   4  -9.557   2.662   2.662
   26   2HB   GLU   4          3HB       GLU   4  -8.832   2.382   2.382
   27   1HG   GLU   4          2HG       GLU   4  -8.110   0.089   0.089
   28   2HG   GLU   4          3HG       GLU   4  -8.932   0.376   0.376
   29    H    GLU   5           HN       GLU   5  -6.671   4.967   4.967
   30    HA   GLU   5           HA       GLU   5  -7.509   4.492   4.492
   31   1HB   GLU   5          2HB       GLU   5  -5.182   5.896   5.896
   32   2HB   GLU   5          3HB       GLU   5  -5.909   6.723   6.723
   33   1HG   GLU   5          2HG       GLU   5  -5.314   5.067   5.067
   34   2HG   GLU   5          3HG       GLU   5  -5.484   3.776   3.776
   35    H    TRP   6           HN       TRP   6  -9.671   5.026   5.026
   36    HA   TRP   6           HA       TRP   6 -10.045   7.850   7.850
   37   1HB   TRP   6          2HB       TRP   6 -12.437   7.051   7.051
   38   2HB   TRP   6          3HB       TRP   6 -11.177   6.598   6.598
   39    HD1  TRP   6           HD1      TRP   6 -10.974   4.021   4.021
   40    HE1  TRP   6           HE1      TRP   6 -11.968   1.765   1.765
   41    HE3  TRP   6           HE3      TRP   6 -13.241   6.098   6.098
   42    HZ2  TRP   6           HZ2      TRP   6 -13.555   1.117   1.117
   43    HZ3  TRP   6           HZ3      TRP   6 -14.493   4.583   4.583
   44    HH2  TRP   6           HH2      TRP   6 -14.670   2.173   2.173
   45    H    PHE   7           HN       PHE   7 -10.124   5.586   5.586
   46    HA   PHE   7           HA       PHE   7 -12.048   7.194   7.194
   47   1HB   PHE   7          2HB       PHE   7 -12.424   4.811   4.811
   48   2HB   PHE   7          3HB       PHE   7 -10.707   4.460   4.460
   49    HD1  PHE   7           HD1      PHE   7 -12.610   6.890   6.890
   50    HD2  PHE   7           HD2      PHE   7 -10.451   3.239   3.239
   51    HE1  PHE   7           HE1      PHE   7 -12.702   6.762   6.762
   52    HE2  PHE   7           HE2      PHE   7 -10.542   3.110   3.110
   53   1HZ   PHE   7           HZ       PHE   7 -11.666   4.873   4.873
   54    H    PHE   8           HN       PHE   8 -11.434   8.603   8.603
   55    HA   PHE   8           HA       PHE   8  -8.599   8.516   8.516
   56   1HB   PHE   8          2HB       PHE   8 -10.671  10.781  10.781
   57   2HB   PHE   8          3HB       PHE   8  -9.064  11.022  11.022
   58    HD1  PHE   8           HD1      PHE   8 -10.998  10.415  10.415
   59    HD2  PHE   8           HD2      PHE   8  -7.118  11.054  11.054
   60    HE1  PHE   8           HE1      PHE   8 -10.122  10.866  10.866
   61    HE2  PHE   8           HE2      PHE   8  -6.242  11.505  11.505
   62   1HZ   PHE   8           HZ       PHE   8  -7.754  11.406  11.406
   63    H    LYS   9           HN       LYS   9  -8.053   8.945   8.945
   64    HA   LYS   9           HA       LYS   9 -10.340   8.558   8.558
   65   1HB   LYS   9          2HB       LYS   9  -7.580   7.410   7.410
   66   2HB   LYS   9          3HB       LYS   9  -8.302   7.727   7.727
   67   1HG   LYS   9          2HG       LYS   9  -9.779   5.998   5.998
   68   2HG   LYS   9          3HG       LYS   9 -10.211   6.445   6.445
   69   1HD   LYS   9          2HD       LYS   9  -9.167   4.261   4.261
   70   2HD   LYS   9          3HD       LYS   9  -8.041   5.408   5.408
   71   1HE   LYS   9          2HE       LYS   9  -6.844   5.544   5.544
   72   2HE   LYS   9          3HE       LYS   9  -7.941   4.341   4.341
   73   1HZ   LYS   9          1HZ       LYS   9  -6.782   3.522   3.522
   74   2HZ   LYS   9          2HZ       LYS   9  -5.647   3.837   3.837
   75   3HZ   LYS   9          3HZ       LYS   9  -6.824   2.747   2.747
   76    H    GLY  10           HN       GLY  10 -10.366   9.756   9.756
   77   1HA   GLY  10          1HA       GLY  10 -10.314  11.808  11.808
   78   2HA   GLY  10          2HA       GLY  10  -8.605  11.438  11.438
   79    H    ILE  11           HN       ILE  11 -10.930  12.522  12.522
   80    HA   ILE  11           HA       ILE  11  -8.878  14.459  14.459
   81    HB   ILE  11           HB       ILE  11 -10.079  12.502  12.502
   82   1HG1  ILE  11          2HG1      ILE  11  -8.905  15.137  15.137
   83   2HG1  ILE  11          3HG1      ILE  11  -8.007  13.687  13.687
   84   1HG2  ILE  11          2HG2      ILE  11 -12.226  13.862  13.862
   85   2HG2  ILE  11          3HG2      ILE  11 -11.439  15.054  15.054
   86   3HG2  ILE  11          1HG2      ILE  11 -11.710  13.392  13.392
   87   1HD1  ILE  11          3HD1      ILE  11  -9.982  12.830  12.830
   88   2HD1  ILE  11          1HD1      ILE  11  -9.361  14.370  14.370
   89   3HD1  ILE  11          2HD1      ILE  11  -8.240  13.028  13.028
   90    H    SER  12           HN       SER  12  -9.702  16.594  16.594
   91    HA   SER  12           HA       SER  12 -12.004  17.317  17.317
   92   1HB   SER  12          2HB       SER  12 -11.042  19.441  19.441
   93   2HB   SER  12          3HB       SER  12  -9.655  18.371  18.371
   94    HG   SER  12           HG       SER  12  -8.843  19.514  19.514
   95    H    ARG  13           HN       ARG  13 -13.404  19.132  19.132
   96    HA   ARG  13           HA       ARG  13 -14.114  18.422  18.422
   97   1HB   ARG  13          2HB       ARG  13 -15.725  19.199  19.199
   98   2HB   ARG  13          3HB       ARG  13 -15.036  20.807  20.807
   99   1HG   ARG  13          2HG       ARG  13 -15.854  19.682  19.682
  100   2HG   ARG  13          3HG       ARG  13 -17.183  19.890  19.890
  101   1HD   ARG  13          2HD       ARG  13 -15.162  22.100  22.100
  102   2HD   ARG  13          3HD       ARG  13 -16.663  21.917  21.917
  103    HE   ARG  13           HE       ARG  13 -16.363  22.912  22.912
  104   1HH1  ARG  13          2HH2      ARG  13 -18.584  21.402  21.402
  105   2HH1  ARG  13          1HH2      ARG  13 -20.004  21.955  21.955
  106   1HH2  ARG  13          2HH1      ARG  13 -18.236  23.642  23.642
  107   2HH2  ARG  13          1HH1      ARG  13 -19.805  23.238  23.238
  108    H    LYS  14           HN       LYS  14 -12.042  20.871  20.871
  109    HA   LYS  14           HA       LYS  14 -12.094  22.618  22.618
  110   1HB   LYS  14          2HB       LYS  14 -10.618  22.529  22.529
  111   2HB   LYS  14          3HB       LYS  14 -10.065  23.592  23.592
  112   1HG   LYS  14          2HG       LYS  14 -12.239  24.714  24.714
  113   2HG   LYS  14          3HG       LYS  14 -12.953  23.545  23.545
  114   1HD   LYS  14          2HD       LYS  14 -12.396  24.933  24.933
  115   2HD   LYS  14          3HD       LYS  14 -10.722  24.495  24.495
  116   1HE   LYS  14          2HE       LYS  14 -11.389  26.449  26.449
  117   2HE   LYS  14          3HE       LYS  14 -12.036  27.045  27.045
  118   1HZ   LYS  14          3HZ       LYS  14  -9.549  26.040  26.040
  119   2HZ   LYS  14          1HZ       LYS  14  -9.365  26.893  26.893
  120   3HZ   LYS  14          2HZ       LYS  14  -9.988  27.612  27.612
  121    H    ASP  15           HN       ASP  15 -10.174  19.872  19.872
  122    HA   ASP  15           HA       ASP  15  -8.046  20.320  20.320
  123   1HB   ASP  15          2HB       ASP  15  -8.954  18.086  18.086
  124   2HB   ASP  15          3HB       ASP  15  -7.767  17.702  17.702
  125    H    ALA  16           HN       ALA  16 -10.995  18.222  18.222
  126    HA   ALA  16           HA       ALA  16 -10.489  16.729  16.729
  127   1HB   ALA  16          2HB       ALA  16 -12.851  17.439  17.439
  128   2HB   ALA  16          3HB       ALA  16 -13.174  16.750  16.750
  129   3HB   ALA  16          1HB       ALA  16 -12.194  15.842  15.842
  130    H    GLU  17           HN       GLU  17 -11.765  20.021  20.021
  131    HA   GLU  17           HA       GLU  17 -12.681  20.237  20.237
  132   1HB   GLU  17          2HB       GLU  17 -12.480  22.035  22.035
  133   2HB   GLU  17          3HB       GLU  17 -12.574  22.815  22.815
  134   1HG   GLU  17          2HG       GLU  17 -14.548  20.907  20.907
  135   2HG   GLU  17          3HG       GLU  17 -14.639  21.225  21.225
  136    H    ARG  18           HN       ARG  18  -9.643  20.672  20.672
  137    HA   ARG  18           HA       ARG  18  -8.569  22.369  22.369
  138   1HB   ARG  18          2HB       ARG  18  -7.687  21.267  21.267
  139   2HB   ARG  18          3HB       ARG  18  -6.393  21.508  21.508
  140   1HG   ARG  18          2HG       ARG  18  -7.961  23.847  23.847
  141   2HG   ARG  18          3HG       ARG  18  -7.948  23.507  23.507
  142   1HD   ARG  18          2HD       ARG  18  -5.931  24.601  24.601
  143   2HD   ARG  18          3HD       ARG  18  -5.298  23.070  23.070
  144    HE   ARG  18           HE       ARG  18  -6.198  24.363  24.363
  145   1HH1  ARG  18          1HH2      ARG  18  -2.888  26.072  26.072
  146   2HH1  ARG  18          2HH2      ARG  18  -3.903  25.101  25.101
  147   1HH2  ARG  18          2HH1      ARG  18  -4.860  25.644  25.644
  148   2HH2  ARG  18          1HH1      ARG  18  -3.436  26.383  26.383
  149    H    GLN  19           HN       GLN  19  -8.857  18.940  18.940
  150    HA   GLN  19           HA       GLN  19  -6.630  18.206  18.206
  151   1HB   GLN  19          2HB       GLN  19  -8.832  16.608  16.608
  152   2HB   GLN  19          3HB       GLN  19  -7.585  15.854  15.854
  153   1HG   GLN  19          2HG       GLN  19  -5.971  17.342  17.342
  154   2HG   GLN  19          3HG       GLN  19  -7.339  17.246  17.246
  155   1HE2  GLN  19          2HE2      GLN  19  -6.868  13.950  13.950
  156   2HE2  GLN  19          1HE2      GLN  19  -7.761  15.429  15.429
  157    H    LEU  20           HN       LEU  20 -10.067  18.843  18.843
  158    HA   LEU  20           HA       LEU  20 -10.196  17.413  17.413
  159   1HB   LEU  20          2HB       LEU  20 -12.122  18.829  18.829
  160   2HB   LEU  20          3HB       LEU  20 -12.531  18.650  18.650
  161    HG   LEU  20           HG       LEU  20 -11.792  16.325  16.325
  162   1HD1  LEU  20          3HD1      LEU  20 -13.846  17.571  17.571
  163   2HD1  LEU  20          1HD1      LEU  20 -14.589  17.148  17.148
  164   3HD1  LEU  20          2HD1      LEU  20 -14.101  15.863  15.863
  165   1HD2  LEU  20          1HD2      LEU  20 -12.819  16.558  16.558
  166   2HD2  LEU  20          2HD2      LEU  20 -11.438  15.627  15.627
  167   3HD2  LEU  20          3HD2      LEU  20 -13.101  15.093  15.093
  168    H    LEU  21           HN       LEU  21 -10.154  20.795  20.795
  169    HA   LEU  21           HA       LEU  21 -10.272  21.870  21.870
  170   1HB   LEU  21          2HB       LEU  21  -9.966  23.007  23.007
  171   2HB   LEU  21          3HB       LEU  21  -9.712  24.007  24.007
  172    HG   LEU  21           HG       LEU  21 -12.260  22.432  22.432
  173   1HD1  LEU  21          2HD1      LEU  21 -11.591  23.979  23.979
  174   2HD1  LEU  21          3HD1      LEU  21 -12.163  25.264  25.264
  175   3HD1  LEU  21          1HD1      LEU  21 -13.254  23.934  23.934
  176   1HD2  LEU  21          3HD2      LEU  21 -11.574  25.010  25.010
  177   2HD2  LEU  21          1HD2      LEU  21 -11.830  23.411  23.411
  178   3HD2  LEU  21          2HD2      LEU  21 -13.182  24.249  24.249
  179    H    ALA  22           HN       ALA  22  -7.859  20.457  20.457
  180    HA   ALA  22           HA       ALA  22  -5.633  21.988  21.988
  181   1HB   ALA  22          1HB       ALA  22  -6.260  19.233  19.233
  182   2HB   ALA  22          2HB       ALA  22  -4.688  19.400  19.400
  183   3HB   ALA  22          3HB       ALA  22  -5.051  20.381  20.381
  184    HA   PRO  23           HA       PRO  23  -4.756  21.252  21.252
  185   1HB   PRO  23          2HB       PRO  23  -2.024  21.264  21.264
  186   2HB   PRO  23          3HB       PRO  23  -2.987  22.726  22.726
  187   1HG   PRO  23          2HG       PRO  23  -1.409  21.412  21.412
  188   2HG   PRO  23          3HG       PRO  23  -2.015  23.056  23.056
  189   1HD   PRO  23          2HD       PRO  23  -3.100  20.882  20.882
  190   2HD   PRO  23          3HD       PRO  23  -3.771  22.494  22.494
  191    H    GLY  24           HN       GLY  24  -5.151  19.553  19.553
  192   1HA   GLY  24          1HA       GLY  24  -3.850  17.564  17.564
  193   2HA   GLY  24          2HA       GLY  24  -3.817  17.056  17.056
  194    H    ASN  25           HN       ASN  25  -6.517  18.049  18.049
  195    HA   ASN  25           HA       ASN  25  -7.953  15.861  15.861
  196   1HB   ASN  25          2HB       ASN  25  -8.690  17.756  17.756
  197   2HB   ASN  25          3HB       ASN  25  -9.663  16.388  16.388
  198   1HD2  ASN  25          2HD2      ASN  25  -6.471  15.970  15.970
  199   2HD2  ASN  25          1HD2      ASN  25  -7.070  17.484  17.484
  200    H    MET  26           HN       MET  26 -10.267  16.272  16.272
  201    HA   MET  26           HA       MET  26 -10.886  19.021  19.021
  202   1HB   MET  26          2HB       MET  26 -11.134  18.613  18.613
  203   2HB   MET  26          3HB       MET  26  -9.490  18.250  18.250
  204   1HG   MET  26          2HG       MET  26 -10.968  15.829  15.829
  205   2HG   MET  26          3HG       MET  26 -11.478  16.475  16.475
  206   1HE   MET  26          2HE       MET  26 -10.656  16.197  16.197
  207   2HE   MET  26          3HE       MET  26  -8.958  16.265  16.265
  208   3HE   MET  26          1HE       MET  26  -9.699  14.701  14.701
  209    H    LEU  27           HN       LEU  27 -13.144  19.180  19.180
  210    HA   LEU  27           HA       LEU  27 -15.042  18.060  18.060
  211   1HB   LEU  27          2HB       LEU  27 -14.932  19.268  19.268
  212   2HB   LEU  27          3HB       LEU  27 -16.320  18.229  18.229
  213    HG   LEU  27           HG       LEU  27 -16.066  19.896  19.896
  214   1HD1  LEU  27          2HD1      LEU  27 -14.825  21.207  21.207
  215   2HD1  LEU  27          3HD1      LEU  27 -16.502  21.775  21.775
  216   3HD1  LEU  27          1HD1      LEU  27 -15.650  21.992  21.992
  217   1HD2  LEU  27          2HD2      LEU  27 -18.073  18.802  18.802
  218   2HD2  LEU  27          3HD2      LEU  27 -18.295  20.208  20.208
  219   3HD2  LEU  27          1HD2      LEU  27 -18.141  20.441  20.441
  220    H    GLY  28           HN       GLY  28 -15.719  16.041  16.041
  221   1HA   GLY  28          1HA       GLY  28 -16.689  14.035  14.035
  222   2HA   GLY  28          2HA       GLY  28 -15.242  13.960  13.960
  223    H    SER  29           HN       SER  29 -13.710  15.056  15.056
  224    HA   SER  29           HA       SER  29 -12.983  12.470  12.470
  225   1HB   SER  29          2HB       SER  29 -12.146  15.216  15.216
  226   2HB   SER  29          3HB       SER  29 -11.358  13.703  13.703
  227    HG   SER  29           HG       SER  29 -11.122  13.484  13.484
  228    H    PHE  30           HN       PHE  30 -13.611  11.395  11.395
  229    HA   PHE  30           HA       PHE  30 -15.235  12.944  12.944
  230   1HB   PHE  30          2HB       PHE  30 -16.684  10.932  10.932
  231   2HB   PHE  30          3HB       PHE  30 -16.554  11.399  11.399
  232    HD1  PHE  30           HD2      PHE  30 -15.568   8.918   8.918
  233    HD2  PHE  30           HD1      PHE  30 -15.359  10.015  10.015
  234    HE1  PHE  30           HE2      PHE  30 -14.769   6.609   6.609
  235    HE2  PHE  30           HE1      PHE  30 -14.560   7.706   7.706
  236   1HZ   PHE  30           HZ       PHE  30 -14.275   6.031   6.031
  237    H    MET  31           HN       MET  31 -15.348  11.917  11.917
  238    HA   MET  31           HA       MET  31 -13.240  10.044  10.044
  239   1HB   MET  31          2HB       MET  31 -12.158  11.528  11.528
  240   2HB   MET  31          3HB       MET  31 -12.120  12.293  12.293
  241   1HG   MET  31          2HG       MET  31 -13.643  13.943  13.943
  242   2HG   MET  31          3HG       MET  31 -14.535  12.886  12.886
  243   1HE   MET  31          3HE       MET  31 -10.979  13.526  13.526
  244   2HE   MET  31          1HE       MET  31 -10.885  15.148  15.148
  245   3HE   MET  31          2HE       MET  31 -10.260  13.737  13.737
  246    H    ILE  32           HN       ILE  32 -13.337   9.223   9.223
  247    HA   ILE  32           HA       ILE  32 -15.925   9.797   9.797
  248    HB   ILE  32           HB       ILE  32 -14.755   7.108   7.108
  249   1HG1  ILE  32          2HG1      ILE  32 -17.580   8.020   8.020
  250   2HG1  ILE  32          3HG1      ILE  32 -16.303   8.524   8.524
  251   1HG2  ILE  32          3HG2      ILE  32 -16.531   7.883   7.883
  252   2HG2  ILE  32          1HG2      ILE  32 -17.033   6.466   6.466
  253   3HG2  ILE  32          2HG2      ILE  32 -15.431   6.495   6.495
  254   1HD1  ILE  32          2HD1      ILE  32 -15.711   5.865   5.865
  255   2HD1  ILE  32          3HD1      ILE  32 -17.472   5.811   5.811
  256   3HD1  ILE  32          1HD1      ILE  32 -16.809   6.543   6.543
  257    H    ARG  33           HN       ARG  33 -15.941   9.691   9.691
  258    HA   ARG  33           HA       ARG  33 -13.507   8.920   8.920
  259   1HB   ARG  33          2HB       ARG  33 -13.153  11.085  11.085
  260   2HB   ARG  33          3HB       ARG  33 -13.083  11.312  11.312
  261   1HG   ARG  33          2HG       ARG  33 -15.831  11.615  11.615
  262   2HG   ARG  33          3HG       ARG  33 -14.927  12.491  12.491
  263   1HD   ARG  33          2HD       ARG  33 -13.580  13.441  13.441
  264   2HD   ARG  33          3HD       ARG  33 -15.006  12.951  12.951
  265    HE   ARG  33           HE       ARG  33 -14.831  15.131  15.131
  266   1HH1  ARG  33          2HH2      ARG  33 -16.970  12.984  12.984
  267   2HH1  ARG  33          1HH2      ARG  33 -18.352  14.015  14.015
  268   1HH2  ARG  33          2HH1      ARG  33 -16.654  16.491  16.491
  269   2HH2  ARG  33          1HH1      ARG  33 -18.171  16.023  16.023
  270    H    ASP  34           HN       ASP  34 -13.788   9.021   9.021
  271    HA   ASP  34           HA       ASP  34 -16.562   8.422   8.422
  272   1HB   ASP  34          2HB       ASP  34 -14.187   7.144   7.144
  273   2HB   ASP  34          3HB       ASP  34 -14.525   8.044   8.044
  274    H    SER  35           HN       SER  35 -17.506   9.292   9.292
  275    HA   SER  35           HA       SER  35 -17.074  12.006  12.006
  276   1HB   SER  35          2HB       SER  35 -19.180  10.795  10.795
  277   2HB   SER  35          3HB       SER  35 -18.370  10.099  10.099
  278    HG   SER  35           HG       SER  35 -18.326  12.055  12.055
  279    H    GLU  36           HN       GLU  36 -16.607  13.063  13.063
  280    HA   GLU  36           HA       GLU  36 -14.163  11.794  11.794
  281   1HB   GLU  36          2HB       GLU  36 -15.015  14.682  14.682
  282   2HB   GLU  36          3HB       GLU  36 -13.792  14.260  14.260
  283   1HG   GLU  36          2HG       GLU  36 -12.835  12.875  12.875
  284   2HG   GLU  36          3HG       GLU  36 -13.652  14.183  14.183
  285    H    THR  37           HN       THR  37 -16.854  13.958  13.958
  286    HA   THR  37           HA       THR  37 -16.452  12.988  12.988
  287    HB   THR  37           HB       THR  37 -18.180  14.741  14.741
  288    HG1  THR  37           HG1      THR  37 -19.490  14.851  14.851
  289   1HG2  THR  37          3HG2      THR  37 -15.844  15.426  15.426
  290   2HG2  THR  37          1HG2      THR  37 -17.002  16.697  16.697
  291   3HG2  THR  37          2HG2      THR  37 -16.080  15.839  15.839
  292    H    THR  38           HN       THR  38 -19.067  12.944  12.944
  293    HA   THR  38           HA       THR  38 -20.563  11.073  11.073
  294    HB   THR  38           HB       THR  38 -20.999  12.508  12.508
  295    HG1  THR  38           HG1      THR  38 -21.329  13.737  13.737
  296   1HG2  THR  38          2HG2      THR  38 -22.588  10.311  10.311
  297   2HG2  THR  38          3HG2      THR  38 -23.457  11.638  11.638
  298   3HG2  THR  38          1HG2      THR  38 -22.350  10.602  10.602
  299    H    LYS  39           HN       LYS  39 -18.571   9.584   9.584
  300    HA   LYS  39           HA       LYS  39 -17.803   8.297   8.297
  301   1HB   LYS  39          2HB       LYS  39 -17.823   7.505   7.505
  302   2HB   LYS  39          3HB       LYS  39 -17.256   6.395   6.395
  303   1HG   LYS  39          2HG       LYS  39 -16.198   9.219   9.219
  304   2HG   LYS  39          3HG       LYS  39 -15.603   8.155   8.155
  305   1HD   LYS  39          2HD       LYS  39 -15.337   6.456   6.456
  306   2HD   LYS  39          3HD       LYS  39 -15.238   7.962   7.962
  307   1HE   LYS  39          2HE       LYS  39 -13.201   8.543   8.543
  308   2HE   LYS  39          3HE       LYS  39 -13.597   7.872   7.872
  309   1HZ   LYS  39          1HZ       LYS  39 -13.204   6.066   6.066
  310   2HZ   LYS  39          2HZ       LYS  39 -11.899   6.703   6.703
  311   3HZ   LYS  39          3HZ       LYS  39 -12.963   5.797   5.797
  312    H    GLY  40           HN       GLY  40 -18.413   6.281   6.281
  313   1HA   GLY  40          1HA       GLY  40 -19.834   4.418   4.418
  314   2HA   GLY  40          2HA       GLY  40 -21.038   5.229   5.229
  315    H    SER  41           HN       SER  41 -20.313   7.819   7.819
  316    HA   SER  41           HA       SER  41 -22.085   7.085   7.085
  317   1HB   SER  41          2HB       SER  41 -21.656   9.679   9.679
  318   2HB   SER  41          3HB       SER  41 -22.424   9.679   9.679
  319    HG   SER  41           HG       SER  41 -24.141   9.453   9.453
  320    H    TYR  42           HN       TYR  42 -21.560   7.769   7.769
  321    HA   TYR  42           HA       TYR  42 -18.749   8.572   8.572
  322   1HB   TYR  42          2HB       TYR  42 -20.801   6.877   6.877
  323   2HB   TYR  42          3HB       TYR  42 -19.524   7.618   7.618
  324    HD1  TYR  42           HD2      TYR  42 -20.002   5.494   5.494
  325    HD2  TYR  42           HD1      TYR  42 -17.509   6.478   6.478
  326    HE1  TYR  42           HE2      TYR  42 -18.444   3.573   3.573
  327    HE2  TYR  42           HE1      TYR  42 -15.959   4.554   4.554
  328    HH   TYR  42           HH       TYR  42 -15.847   3.158   3.158
  329    H    SER  43           HN       SER  43 -18.271   9.903   9.903
  330    HA   SER  43           HA       SER  43 -20.535  11.527  11.527
  331   1HB   SER  43          2HB       SER  43 -17.903  12.770  12.770
  332   2HB   SER  43          3HB       SER  43 -19.362  13.620  13.620
  333    HG   SER  43           HG       SER  43 -20.403  12.975  12.975
  334    H    LEU  44           HN       LEU  44 -20.519  11.820  11.820
  335    HA   LEU  44           HA       LEU  44 -18.044  11.105  11.105
  336   1HB   LEU  44          2HB       LEU  44 -19.836   9.747   9.747
  337   2HB   LEU  44          3HB       LEU  44 -20.948  11.098  11.098
  338    HG   LEU  44           HG       LEU  44 -19.616  11.976  11.976
  339   1HD1  LEU  44          1HD1      LEU  44 -17.795   9.948   9.948
  340   2HD1  LEU  44          2HD1      LEU  44 -18.388   9.531   9.531
  341   3HD1  LEU  44          3HD1      LEU  44 -17.641  11.119  11.119
  342   1HD2  LEU  44          2HD2      LEU  44 -21.715  10.719  10.719
  343   2HD2  LEU  44          3HD2      LEU  44 -20.577  10.444  10.444
  344   3HD2  LEU  44          1HD2      LEU  44 -20.785   9.203   9.203
  345    H    SER  45           HN       SER  45 -17.213  12.448  12.448
  346    HA   SER  45           HA       SER  45 -18.369  15.092  15.092
  347   1HB   SER  45          2HB       SER  45 -15.381  14.762  14.762
  348   2HB   SER  45          3HB       SER  45 -16.320  16.241  16.241
  349    HG   SER  45           HG       SER  45 -16.508  15.885  15.885
  350    H    VAL  46           HN       VAL  46 -18.350  15.846  15.846
  351    HA   VAL  46           HA       VAL  46 -16.381  14.677  14.677
  352    HB   VAL  46           HB       VAL  46 -19.369  14.814  14.814
  353   1HG1  VAL  46          2HG1      VAL  46 -17.106  14.107  14.107
  354   2HG1  VAL  46          3HG1      VAL  46 -18.810  13.689  13.689
  355   3HG1  VAL  46          1HG1      VAL  46 -18.320  15.396  15.396
  356   1HG2  VAL  46          1HG2      VAL  46 -17.727  12.796  12.796
  357   2HG2  VAL  46          2HG2      VAL  46 -19.450  12.702  12.702
  358   3HG2  VAL  46          3HG2      VAL  46 -18.206  12.232  12.232
  359    H    ARG  47           HN       ARG  47 -16.038  16.008  16.008
  360    HA   ARG  47           HA       ARG  47 -16.233  18.756  18.756
  361   1HB   ARG  47          2HB       ARG  47 -14.158  17.823  17.823
  362   2HB   ARG  47          3HB       ARG  47 -15.051  17.400  17.400
  363   1HG   ARG  47          2HG       ARG  47 -15.051  19.554  19.554
  364   2HG   ARG  47          3HG       ARG  47 -15.372  20.243  20.243
  365   1HD   ARG  47          2HD       ARG  47 -13.088  20.323  20.323
  366   2HD   ARG  47          3HD       ARG  47 -12.649  19.029  19.029
  367    HE   ARG  47           HE       ARG  47 -13.650  21.216  21.216
  368   1HH1  ARG  47          2HH2      ARG  47 -10.872  20.373  20.373
  369   2HH1  ARG  47          1HH2      ARG  47  -9.788  21.431  21.431
  370   1HH2  ARG  47          2HH1      ARG  47 -12.221  22.611  22.611
  371   2HH2  ARG  47          1HH1      ARG  47 -10.561  22.712  22.712
  372    H    ASP  48           HN       ASP  48 -17.507  20.354  20.354
  373    HA   ASP  48           HA       ASP  48 -19.066  19.471  19.471
  374   1HB   ASP  48          2HB       ASP  48 -20.526  19.093  19.093
  375   2HB   ASP  48          3HB       ASP  48 -20.186  20.697  20.697
  376    H    TYR  49           HN       TYR  49 -20.076  21.430  21.430
  377    HA   TYR  49           HA       TYR  49 -18.795  23.955  23.955
  378   1HB   TYR  49          2HB       TYR  49 -17.642  22.537  22.537
  379   2HB   TYR  49          3HB       TYR  49 -19.098  22.788  22.788
  380    HD1  TYR  49           HD2      TYR  49 -19.743  25.135  25.135
  381    HD2  TYR  49           HD1      TYR  49 -15.963  24.226  24.226
  382    HE1  TYR  49           HE2      TYR  49 -18.803  27.338  27.338
  383    HE2  TYR  49           HE1      TYR  49 -15.035  26.432  26.432
  384    HH   TYR  49           HH       TYR  49 -15.644  27.972  27.972
  385    H    ASP  50           HN       ASP  50 -19.895  25.872  25.872
  386    HA   ASP  50           HA       ASP  50 -22.565  25.288  25.288
  387   1HB   ASP  50          2HB       ASP  50 -21.771  26.633  26.633
  388   2HB   ASP  50          3HB       ASP  50 -22.891  27.580  27.580
  389    HA   PRO  51           HA       PRO  51 -21.502  28.629  28.629
  390   1HB   PRO  51          2HB       PRO  51 -23.958  29.355  29.355
  391   2HB   PRO  51          3HB       PRO  51 -23.054  27.988  27.988
  392   1HG   PRO  51          2HG       PRO  51 -25.418  27.995  27.995
  393   2HG   PRO  51          3HG       PRO  51 -24.770  26.680  26.680
  394   1HD   PRO  51          2HD       PRO  51 -24.496  27.033  27.033
  395   2HD   PRO  51          3HD       PRO  51 -23.753  25.783  25.783
  396    H    ARG  52           HN       ARG  52 -23.118  29.043  29.043
  397    HA   ARG  52           HA       ARG  52 -23.335  31.888  31.888
  398   1HB   ARG  52          2HB       ARG  52 -24.345  29.893  29.893
  399   2HB   ARG  52          3HB       ARG  52 -24.058  31.514  31.514
  400   1HG   ARG  52          2HG       ARG  52 -25.729  30.915  30.915
  401   2HG   ARG  52          3HG       ARG  52 -26.415  31.095  31.095
  402   1HD   ARG  52          2HD       ARG  52 -25.190  33.404  33.404
  403   2HD   ARG  52          3HD       ARG  52 -24.973  33.203  33.203
  404    HE   ARG  52           HE       ARG  52 -27.721  32.704  32.704
  405   1HH1  ARG  52          2HH2      ARG  52 -25.421  35.363  35.363
  406   2HH1  ARG  52          1HH2      ARG  52 -26.629  36.563  36.563
  407   1HH2  ARG  52          2HH1      ARG  52 -29.317  34.286  34.286
  408   2HH2  ARG  52          1HH1      ARG  52 -28.860  35.947  35.947
  409    H    GLN  53           HN       GLN  53 -22.042  29.711  29.711
  410    HA   GLN  53           HA       GLN  53 -20.245  31.766  31.766
  411   1HB   GLN  53          2HB       GLN  53 -20.771  28.923  28.923
  412   2HB   GLN  53          3HB       GLN  53 -19.460  29.875  29.875
  413   1HG   GLN  53          2HG       GLN  53 -21.753  31.581  31.581
  414   2HG   GLN  53          3HG       GLN  53 -22.309  30.024  30.024
  415   1HE2  GLN  53          2HE2      GLN  53 -19.500  32.236  32.236
  416   2HE2  GLN  53          1HE2      GLN  53 -19.822  32.501  32.501
  417    H    GLY  54           HN       GLY  54 -19.845  28.341  28.341
  418   1HA   GLY  54          1HA       GLY  54 -18.272  28.265  28.265
  419   2HA   GLY  54          2HA       GLY  54 -17.140  29.090  29.090
  420    H    ASP  55           HN       ASP  55 -15.712  27.814  27.814
  421    HA   ASP  55           HA       ASP  55 -16.082  25.014  25.014
  422   1HB   ASP  55          2HB       ASP  55 -14.015  26.838  26.838
  423   2HB   ASP  55          3HB       ASP  55 -13.938  25.095  25.095
  424    H    THR  56           HN       THR  56 -16.959  23.716  23.716
  425    HA   THR  56           HA       THR  56 -17.026  24.753  24.753
  426    HB   THR  56           HB       THR  56 -19.416  24.652  24.652
  427    HG1  THR  56           HG1      THR  56 -19.831  22.706  22.706
  428   1HG2  THR  56          3HG2      THR  56 -18.676  26.601  26.601
  429   2HG2  THR  56          1HG2      THR  56 -18.960  25.562  25.562
  430   3HG2  THR  56          2HG2      THR  56 -20.318  26.015  26.015
  431    H    VAL  57           HN       VAL  57 -18.022  22.984  22.984
  432    HA   VAL  57           HA       VAL  57 -17.331  20.343  20.343
  433    HB   VAL  57           HB       VAL  57 -16.397  21.339  21.339
  434   1HG1  VAL  57          1HG1      VAL  57 -16.541  18.776  18.776
  435   2HG1  VAL  57          2HG1      VAL  57 -14.822  19.238  19.238
  436   3HG1  VAL  57          3HG1      VAL  57 -15.740  19.234  19.234
  437   1HG2  VAL  57          2HG2      VAL  57 -14.932  21.371  21.371
  438   2HG2  VAL  57          3HG2      VAL  57 -15.253  22.739  22.739
  439   3HG2  VAL  57          1HG2      VAL  57 -14.113  21.460  21.460
  440    H    LYS  58           HN       LYS  58 -18.940  18.914  18.914
  441    HA   LYS  58           HA       LYS  58 -21.001  19.752  19.752
  442   1HB   LYS  58          2HB       LYS  58 -20.864  17.803  17.803
  443   2HB   LYS  58          3HB       LYS  58 -22.121  17.643  17.643
  444   1HG   LYS  58          2HG       LYS  58 -21.594  20.348  20.348
  445   2HG   LYS  58          3HG       LYS  58 -22.535  19.153  19.153
  446   1HD   LYS  58          2HD       LYS  58 -24.229  20.262  20.262
  447   2HD   LYS  58          3HD       LYS  58 -23.887  18.948  18.948
  448   1HE   LYS  58          2HE       LYS  58 -23.006  20.347  20.347
  449   2HE   LYS  58          3HE       LYS  58 -22.147  21.318  21.318
  450   1HZ   LYS  58          1HZ       LYS  58 -25.040  21.470  21.470
  451   2HZ   LYS  58          2HZ       LYS  58 -23.932  22.527  22.527
  452   3HZ   LYS  58          3HZ       LYS  58 -24.199  22.409  22.409
  453    H    HIS  59           HN       HIS  59 -21.733  18.418  18.418
  454    HA   HIS  59           HA       HIS  59 -19.936  16.208  16.208
  455   1HB   HIS  59          2HB       HIS  59 -20.853  18.058  18.058
  456   2HB   HIS  59          3HB       HIS  59 -19.491  16.956  16.956
  457    HD1  HIS  59           HD1      HIS  59 -20.020  20.402  20.402
  458    HD2  HIS  59           HD2      HIS  59 -17.634  17.984  17.984
  459    HE1  HIS  59           HE1      HIS  59 -18.212  21.924  21.924
  460    H    TYR  60           HN       TYR  60 -21.149  14.396  14.396
  461    HA   TYR  60           HA       TYR  60 -23.957  14.729  14.729
  462   1HB   TYR  60          2HB       TYR  60 -22.344  12.466  12.466
  463   2HB   TYR  60          3HB       TYR  60 -24.081  12.433  12.433
  464    HD1  TYR  60           HD2      TYR  60 -25.272  14.705  14.705
  465    HD2  TYR  60           HD1      TYR  60 -21.614  12.968  12.968
  466    HE1  TYR  60           HE2      TYR  60 -25.583  15.830  15.830
  467    HE2  TYR  60           HE1      TYR  60 -21.938  14.099  14.099
  468    HH   TYR  60           HH       TYR  60 -23.055  15.875  15.875
  469    H    LYS  61           HN       LYS  61 -24.919  12.989  12.989
  470    HA   LYS  61           HA       LYS  61 -22.943  12.141  12.141
  471   1HB   LYS  61          2HB       LYS  61 -24.830  12.092  12.092
  472   2HB   LYS  61          3HB       LYS  61 -24.596  13.681  13.681
  473   1HG   LYS  61          2HG       LYS  61 -26.670  13.672  13.672
  474   2HG   LYS  61          3HG       LYS  61 -26.405  12.106  12.106
  475   1HD   LYS  61          2HD       LYS  61 -27.088  10.935  10.935
  476   2HD   LYS  61          3HD       LYS  61 -27.071  12.412  12.412
  477   1HE   LYS  61          2HE       LYS  61 -29.047  13.245  13.245
  478   2HE   LYS  61          3HE       LYS  61 -28.868  12.234  12.234
  479   1HZ   LYS  61          2HZ       LYS  61 -29.508  11.261  11.261
  480   2HZ   LYS  61          3HZ       LYS  61 -30.565  11.404  11.404
  481   3HZ   LYS  61          1HZ       LYS  61 -29.346  10.321  10.321
  482    H    ILE  62           HN       ILE  62 -22.883   9.979   9.979
  483    HA   ILE  62           HA       ILE  62 -24.465   8.148   8.148
  484    HB   ILE  62           HB       ILE  62 -21.602   7.973   7.973
  485   1HG1  ILE  62          2HG1      ILE  62 -22.554   7.532   7.532
  486   2HG1  ILE  62          3HG1      ILE  62 -22.476   9.173   9.173
  487   1HG2  ILE  62          3HG2      ILE  62 -23.399   5.794   5.794
  488   2HG2  ILE  62          1HG2      ILE  62 -21.621   5.712   5.712
  489   3HG2  ILE  62          2HG2      ILE  62 -22.474   5.810   5.810
  490   1HD1  ILE  62          2HD1      ILE  62 -20.085   7.485   7.485
  491   2HD1  ILE  62          3HD1      ILE  62 -20.348   7.881   7.881
  492   3HD1  ILE  62          1HD1      ILE  62 -20.178   9.186   9.186
  493    H    ARG  63           HN       ARG  63 -26.126   7.500   7.500
  494    HA   ARG  63           HA       ARG  63 -25.543   7.088   7.088
  495   1HB   ARG  63          2HB       ARG  63 -28.071   7.247   7.247
  496   2HB   ARG  63          3HB       ARG  63 -28.145   6.509   6.509
  497   1HG   ARG  63          2HG       ARG  63 -26.850   9.232   9.232
  498   2HG   ARG  63          3HG       ARG  63 -28.591   9.092   9.092
  499   1HD   ARG  63          2HD       ARG  63 -28.017   7.615   7.615
  500   2HD   ARG  63          3HD       ARG  63 -26.468   8.429   8.429
  501    HE   ARG  63           HE       ARG  63 -28.508  10.411  10.411
  502   1HH1  ARG  63          2HH2      ARG  63 -27.224   8.174   8.174
  503   2HH1  ARG  63          1HH2      ARG  63 -27.675   9.161   9.161
  504   1HH2  ARG  63          2HH1      ARG  63 -29.102  11.713  11.713
  505   2HH2  ARG  63          1HH1      ARG  63 -28.751  11.187  11.187
  506    H    THR  64           HN       THR  64 -26.132   5.025   5.025
  507    HA   THR  64           HA       THR  64 -25.904   2.752   2.752
  508    HB   THR  64           HB       THR  64 -24.714   1.644   1.644
  509    HG1  THR  64           HG1      THR  64 -25.024   2.393   2.393
  510   1HG2  THR  64          2HG2      THR  64 -23.375   3.548   3.548
  511   2HG2  THR  64          3HG2      THR  64 -23.969   4.602   4.602
  512   3HG2  THR  64          1HG2      THR  64 -22.933   3.207   3.207
  513    H    LEU  65           HN       LEU  65 -27.154   0.843   0.843
  514    HA   LEU  65           HA       LEU  65 -29.727   1.528   1.528
  515   1HB   LEU  65          2HB       LEU  65 -28.897  -0.717  -0.717
  516   2HB   LEU  65          3HB       LEU  65 -30.519  -0.469  -0.469
  517    HG   LEU  65           HG       LEU  65 -29.173   1.746   1.746
  518   1HD1  LEU  65          3HD1      LEU  65 -28.991  -0.535  -0.535
  519   2HD1  LEU  65          1HD1      LEU  65 -30.745  -0.355  -0.355
  520   3HD1  LEU  65          2HD1      LEU  65 -29.627   0.877   0.877
  521   1HD2  LEU  65          3HD2      LEU  65 -31.391   1.983   1.983
  522   2HD2  LEU  65          1HD2      LEU  65 -31.365   2.458   2.458
  523   3HD2  LEU  65          2HD2      LEU  65 -32.071   0.896   0.896
  524    H    ASP  66           HN       ASP  66 -30.754   0.178   0.178
  525    HA   ASP  66           HA       ASP  66 -29.205  -0.634  -0.634
  526   1HB   ASP  66          2HB       ASP  66 -31.893  -1.775  -1.775
  527   2HB   ASP  66          3HB       ASP  66 -31.192  -2.079  -2.079
  528    H    ASN  67           HN       ASN  67 -30.690  -2.700  -2.700
  529    HA   ASN  67           HA       ASN  67 -28.594  -4.646  -4.646
  530   1HB   ASN  67          2HB       ASN  67 -31.514  -5.188  -5.188
  531   2HB   ASN  67          3HB       ASN  67 -30.279  -6.428  -6.428
  532   1HD2  ASN  67          2HD2      ASN  67 -32.204  -6.392  -6.392
  533   2HD2  ASN  67          1HD2      ASN  67 -32.562  -6.571  -6.571
  534    H    GLY  68           HN       GLY  68 -27.773  -2.987  -2.987
  535   1HA   GLY  68          1HA       GLY  68 -28.230  -4.305  -4.305
  536   2HA   GLY  68          2HA       GLY  68 -28.646  -2.606  -2.606
  537    H    GLY  69           HN       GLY  69 -27.060  -1.248  -1.248
  538   1HA   GLY  69          1HA       GLY  69 -24.299  -1.792  -1.792
  539   2HA   GLY  69          2HA       GLY  69 -24.644  -1.718  -1.718
  540    H    PHE  70           HN       PHE  70 -24.686   0.264   0.264
  541    HA   PHE  70           HA       PHE  70 -25.082   2.608   2.608
  542   1HB   PHE  70          2HB       PHE  70 -22.974   2.315   2.315
  543   2HB   PHE  70          3HB       PHE  70 -23.103   3.636   3.636
  544    HD1  PHE  70           HD1      PHE  70 -22.558  -0.054  -0.054
  545    HD2  PHE  70           HD2      PHE  70 -21.758   3.623   3.623
  546    HE1  PHE  70           HE1      PHE  70 -20.946  -1.220  -1.220
  547    HE2  PHE  70           HE2      PHE  70 -20.146   2.457   2.457
  548   1HZ   PHE  70           HZ       PHE  70 -19.760   0.049   0.049
  549    H    TYR  71           HN       TYR  71 -26.328   4.211   4.211
  550    HA   TYR  71           HA       TYR  71 -26.836   3.969   3.969
  551   1HB   TYR  71          2HB       TYR  71 -29.209   4.038   4.038
  552   2HB   TYR  71          3HB       TYR  71 -28.597   2.950   2.950
  553    HD1  TYR  71           HD1      TYR  71 -29.879   6.353   6.353
  554    HD2  TYR  71           HD2      TYR  71 -28.603   3.567   3.567
  555    HE1  TYR  71           HE1      TYR  71 -30.880   7.827   7.827
  556    HE2  TYR  71           HE2      TYR  71 -29.608   5.050   5.050
  557    HH   TYR  71           HH       TYR  71 -30.144   7.959   7.959
  558    H    ILE  72           HN       ILE  72 -27.581   5.968   5.968
  559    HA   ILE  72           HA       ILE  72 -26.883   8.317   8.317
  560    HB   ILE  72           HB       ILE  72 -26.303   7.641   7.641
  561   1HG1  ILE  72          2HG1      ILE  72 -24.454   8.778   8.778
  562   2HG1  ILE  72          3HG1      ILE  72 -24.741   7.055   7.055
  563   1HG2  ILE  72          3HG2      ILE  72 -26.892  10.278  10.278
  564   2HG2  ILE  72          1HG2      ILE  72 -25.335  10.181  10.181
  565   3HG2  ILE  72          2HG2      ILE  72 -26.844   9.747   9.747
  566   1HD1  ILE  72          1HD1      ILE  72 -24.266   7.945   7.945
  567   2HD1  ILE  72          2HD1      ILE  72 -23.058   8.774   8.774
  568   3HD1  ILE  72          3HD1      ILE  72 -23.165   6.997   6.997
  569    H    SER  73           HN       SER  73 -28.935   6.981   6.981
  570    HA   SER  73           HA       SER  73 -30.827   9.102   9.102
  571   1HB   SER  73          2HB       SER  73 -30.014   9.407   9.407
  572   2HB   SER  73          3HB       SER  73 -30.278   7.718   7.718
  573    HG   SER  73           HG       SER  73 -32.618   8.140   8.140
  574    HA   PRO  74           HA       PRO  74 -33.570   5.867   5.867
  575   1HB   PRO  74          2HB       PRO  74 -35.977   7.152   7.152
  576   2HB   PRO  74          3HB       PRO  74 -34.909   7.273   7.273
  577   1HG   PRO  74          2HG       PRO  74 -35.425   9.265   9.265
  578   2HG   PRO  74          3HG       PRO  74 -34.715   9.508   9.508
  579   1HD   PRO  74          2HD       PRO  74 -33.324   9.400   9.400
  580   2HD   PRO  74          3HD       PRO  74 -32.605   9.526   9.526
  581    H    ARG  75           HN       ARG  75 -32.596   5.273   5.273
  582    HA   ARG  75           HA       ARG  75 -35.023   4.473   4.473
  583   1HB   ARG  75          2HB       ARG  75 -32.555   5.595   5.595
  584   2HB   ARG  75          3HB       ARG  75 -33.994   4.983   4.983
  585   1HG   ARG  75          2HG       ARG  75 -34.292   7.183   7.183
  586   2HG   ARG  75          3HG       ARG  75 -33.693   7.596   7.596
  587   1HD   ARG  75          2HD       ARG  75 -35.817   6.060   6.060
  588   2HD   ARG  75          3HD       ARG  75 -36.414   6.612   6.612
  589    HE   ARG  75           HE       ARG  75 -35.357   8.878   8.878
  590   1HH1  ARG  75          1HH2      ARG  75 -39.056   7.719   7.719
  591   2HH1  ARG  75          2HH2      ARG  75 -38.019   6.597   6.597
  592   1HH2  ARG  75          2HH1      ARG  75 -36.723  10.358  10.358
  593   2HH2  ARG  75          1HH1      ARG  75 -38.314   9.872   9.872
  594    H    SER  76           HN       SER  76 -31.387   4.240   4.240
  595    HA   SER  76           HA       SER  76 -31.737   1.352   1.352
  596   1HB   SER  76          2HB       SER  76 -30.002   3.112   3.112
  597   2HB   SER  76          3HB       SER  76 -29.472   1.482   1.482
  598    HG   SER  76           HG       SER  76 -31.946   1.071   1.071
  599    H    THR  77           HN       THR  77 -30.238   0.156   0.156
  600    HA   THR  77           HA       THR  77 -28.334   1.801   1.801
  601    HB   THR  77           HB       THR  77 -28.932   0.338   0.338
  602    HG1  THR  77           HG1      THR  77 -31.035  -0.529  -0.529
  603   1HG2  THR  77          2HG2      THR  77 -31.182   1.794   1.794
  604   2HG2  THR  77          3HG2      THR  77 -31.485   0.942   0.942
  605   3HG2  THR  77          1HG2      THR  77 -30.321   2.288   2.288
  606    H    PHE  78           HN       PHE  78 -26.515   0.516   0.516
  607    HA   PHE  78           HA       PHE  78 -25.910  -1.818  -1.818
  608   1HB   PHE  78          2HB       PHE  78 -23.958   0.424   0.424
  609   2HB   PHE  78          3HB       PHE  78 -23.660  -0.865  -0.865
  610    HD1  PHE  78           HD1      PHE  78 -25.750   2.152   2.152
  611    HD2  PHE  78           HD2      PHE  78 -24.142  -0.567  -0.567
  612    HE1  PHE  78           HE1      PHE  78 -26.532   3.636   3.636
  613    HE2  PHE  78           HE2      PHE  78 -24.924   0.917   0.917
  614   1HZ   PHE  78           HZ       PHE  78 -26.110   3.001   3.001
  615    H    SER  79           HN       SER  79 -24.551  -3.392  -3.392
  616    HA   SER  79           HA       SER  79 -24.631  -3.218  -3.218
  617   1HB   SER  79          2HB       SER  79 -23.464  -5.470  -5.470
  618   2HB   SER  79          3HB       SER  79 -24.037  -5.564  -5.564
  619    HG   SER  79           HG       SER  79 -25.451  -6.170  -6.170
  620    H    THR  80           HN       THR  80 -22.345  -2.812  -2.812
  621    HA   THR  80           HA       THR  80 -20.226  -2.343  -2.343
  622    HB   THR  80           HB       THR  80 -18.647  -3.446  -3.446
  623    HG1  THR  80           HG1      THR  80 -19.608  -3.696  -3.696
  624   1HG2  THR  80          1HG2      THR  80 -20.980  -4.970  -4.970
  625   2HG2  THR  80          2HG2      THR  80 -19.881  -5.823  -5.823
  626   3HG2  THR  80          3HG2      THR  80 -19.247  -5.097  -5.097
  627    H    LEU  81           HN       LEU  81 -18.752  -0.684  -0.684
  628    HA   LEU  81           HA       LEU  81 -19.905   1.375   1.375
  629   1HB   LEU  81          2HB       LEU  81 -17.376   1.065   1.065
  630   2HB   LEU  81          3HB       LEU  81 -17.637   2.471   2.471
  631    HG   LEU  81           HG       LEU  81 -19.569   1.616   1.616
  632   1HD1  LEU  81          2HD1      LEU  81 -17.243   3.549   3.549
  633   2HD1  LEU  81          3HD1      LEU  81 -18.556   3.442   3.442
  634   3HD1  LEU  81          1HD1      LEU  81 -17.480   2.049   2.049
  635   1HD2  LEU  81          3HD2      LEU  81 -19.266   4.142   4.142
  636   2HD2  LEU  81          1HD2      LEU  81 -20.644   3.016   3.016
  637   3HD2  LEU  81          2HD2      LEU  81 -20.274   4.024   4.024
  638    H    GLN  82           HN       GLN  82 -17.788  -1.319  -1.319
  639    HA   GLN  82           HA       GLN  82 -16.421  -0.123  -0.123
  640   1HB   GLN  82          2HB       GLN  82 -15.511  -2.049  -2.049
  641   2HB   GLN  82          3HB       GLN  82 -16.834  -3.058  -3.058
  642   1HG   GLN  82          2HG       GLN  82 -15.172  -3.618  -3.618
  643   2HG   GLN  82          3HG       GLN  82 -16.036  -2.366  -2.366
  644   1HE2  GLN  82          2HE2      GLN  82 -13.477   0.012   0.012
  645   2HE2  GLN  82          1HE2      GLN  82 -15.145  -0.354  -0.354
  646    H    GLU  83           HN       GLU  83 -19.522  -1.767  -1.767
  647    HA   GLU  83           HA       GLU  83 -19.827  -2.220  -2.220
  648   1HB   GLU  83          2HB       GLU  83 -21.660  -2.633  -2.633
  649   2HB   GLU  83          3HB       GLU  83 -22.175  -2.953  -2.953
  650   1HG   GLU  83          2HG       GLU  83 -19.567  -4.164  -4.164
  651   2HG   GLU  83          3HG       GLU  83 -21.046  -4.860  -4.860
  652    H    LEU  84           HN       LEU  84 -20.489   0.284   0.284
  653    HA   LEU  84           HA       LEU  84 -22.588   1.503   1.503
  654   1HB   LEU  84          2HB       LEU  84 -22.694   1.711   1.711
  655   2HB   LEU  84          3HB       LEU  84 -21.037   2.271   2.271
  656    HG   LEU  84           HG       LEU  84 -23.141   3.869   3.869
  657   1HD1  LEU  84          1HD1      LEU  84 -23.307   3.226   3.226
  658   2HD1  LEU  84          2HD1      LEU  84 -22.575   4.848   4.848
  659   3HD1  LEU  84          3HD1      LEU  84 -24.134   4.558   4.558
  660   1HD2  LEU  84          3HD2      LEU  84 -20.358   4.158   4.158
  661   2HD2  LEU  84          1HD2      LEU  84 -21.501   5.315   5.315
  662   3HD2  LEU  84          2HD2      LEU  84 -21.135   5.396   5.396
  663    H    VAL  85           HN       VAL  85 -19.056   1.626   1.626
  664    HA   VAL  85           HA       VAL  85 -18.889   4.113   4.113
  665    HB   VAL  85           HB       VAL  85 -16.934   2.054   2.054
  666   1HG1  VAL  85          1HG1      VAL  85 -16.465   4.290   4.290
  667   2HG1  VAL  85          2HG1      VAL  85 -15.204   3.876   3.876
  668   3HG1  VAL  85          3HG1      VAL  85 -15.781   2.647   2.647
  669   1HG2  VAL  85          1HG2      VAL  85 -18.152   4.189   4.189
  670   2HG2  VAL  85          2HG2      VAL  85 -16.618   3.439   3.439
  671   3HG2  VAL  85          3HG2      VAL  85 -16.603   4.890   4.890
  672    H    ASP  86           HN       ASP  86 -18.920   0.625   0.625
  673    HA   ASP  86           HA       ASP  86 -17.890   0.909   0.909
  674   1HB   ASP  86          2HB       ASP  86 -19.278  -1.240  -1.240
  675   2HB   ASP  86          3HB       ASP  86 -19.245  -1.430  -1.430
  676    H    HIS  87           HN       HIS  87 -21.114   0.945   0.945
  677    HA   HIS  87           HA       HIS  87 -22.553   0.780   0.780
  678   1HB   HIS  87          2HB       HIS  87 -23.308   0.065   0.065
  679   2HB   HIS  87          3HB       HIS  87 -23.599   1.764   1.764
  680    HD1  HIS  87           HD1      HIS  87 -25.568  -0.958  -0.958
  681    HD2  HIS  87           HD2      HIS  87 -25.180   2.684   2.684
  682    HE1  HIS  87           HE1      HIS  87 -27.725  -0.650  -0.650
  683    H    TYR  88           HN       TYR  88 -21.213   3.348   3.348
  684    HA   TYR  88           HA       TYR  88 -22.660   5.430   5.430
  685   1HB   TYR  88          2HB       TYR  88 -20.470   5.037   5.037
  686   2HB   TYR  88          3HB       TYR  88 -20.597   6.626   6.626
  687    HD1  TYR  88           HD2      TYR  88 -23.696   4.752   4.752
  688    HD2  TYR  88           HD1      TYR  88 -21.058   7.498   7.498
  689    HE1  TYR  88           HE2      TYR  88 -25.536   5.362   5.362
  690    HE2  TYR  88           HE1      TYR  88 -22.907   8.098   8.098
  691    HH   TYR  88           HH       TYR  88 -26.019   6.411   6.411
  692    H    LYS  89           HN       LYS  89 -19.704   3.612   3.612
  693    HA   LYS  89           HA       LYS  89 -18.472   5.675   5.675
  694   1HB   LYS  89          2HB       LYS  89 -17.780   2.928   2.928
  695   2HB   LYS  89          3HB       LYS  89 -17.024   3.478   3.478
  696   1HG   LYS  89          2HG       LYS  89 -16.645   5.714   5.714
  697   2HG   LYS  89          3HG       LYS  89 -16.735   4.552   4.552
  698   1HD   LYS  89          2HD       LYS  89 -14.771   3.475   3.475
  699   2HD   LYS  89          3HD       LYS  89 -15.009   3.781   3.781
  700   1HE   LYS  89          2HE       LYS  89 -14.533   6.266   6.266
  701   2HE   LYS  89          3HE       LYS  89 -14.040   5.765   5.765
  702   1HZ   LYS  89          3HZ       LYS  89 -12.876   4.301   4.301
  703   2HZ   LYS  89          1HZ       LYS  89 -12.396   5.854   5.854
  704   3HZ   LYS  89          2HZ       LYS  89 -12.193   4.811   4.811
  705    H    LYS  90           HN       LYS  90 -20.709   2.981   2.981
  706    HA   LYS  90           HA       LYS  90 -20.287   2.890   2.890
  707   1HB   LYS  90          2HB       LYS  90 -22.186   1.510   1.510
  708   2HB   LYS  90          3HB       LYS  90 -22.323   1.338   1.338
  709   1HG   LYS  90          2HG       LYS  90 -19.637   0.876   0.876
  710   2HG   LYS  90          3HG       LYS  90 -20.213   0.299   0.299
  711   1HD   LYS  90          2HD       LYS  90 -21.236  -1.533  -1.533
  712   2HD   LYS  90          3HD       LYS  90 -21.896  -0.615  -0.615
  713   1HE   LYS  90          2HE       LYS  90 -20.140  -1.127  -1.127
  714   2HE   LYS  90          3HE       LYS  90 -18.945  -0.911  -0.911
  715   1HZ   LYS  90          2HZ       LYS  90 -20.726  -3.240  -3.240
  716   2HZ   LYS  90          3HZ       LYS  90 -19.250  -3.219  -3.219
  717   3HZ   LYS  90          1HZ       LYS  90 -19.391  -3.052  -3.052
  718    H    GLY  91           HN       GLY  91 -22.323   4.582   4.582
  719   1HA   GLY  91          1HA       GLY  91 -23.156   6.517   6.517
  720   2HA   GLY  91          2HA       GLY  91 -24.426   5.314   5.314
  721    H    ASN  92           HN       ASN  92 -24.144   8.225   8.225
  722    HA   ASN  92           HA       ASN  92 -23.836   8.525   8.525
  723   1HB   ASN  92          2HB       ASN  92 -25.893  10.131  10.131
  724   2HB   ASN  92          3HB       ASN  92 -24.564  10.435  10.435
  725   1HD2  ASN  92          2HD2      ASN  92 -28.073  10.300  10.300
  726   2HD2  ASN  92          1HD2      ASN  92 -27.527  10.931  10.931
  727    H    ASP  93           HN       ASP  93 -26.839   7.293   7.293
  728    HA   ASP  93           HA       ASP  93 -28.658   6.364   6.364
  729   1HB   ASP  93          2HB       ASP  93 -26.761   4.571   4.571
  730   2HB   ASP  93          3HB       ASP  93 -26.830   4.807   4.807
  731    H    GLY  94           HN       GLY  94 -28.541   8.751   8.751
  732   1HA   GLY  94          1HA       GLY  94 -30.072   8.996   8.996
  733   2HA   GLY  94          2HA       GLY  94 -28.764   8.225   8.225
  734    H    LEU  95           HN       LEU  95 -26.456   9.338   9.338
  735    HA   LEU  95           HA       LEU  95 -26.476  11.887  11.887
  736   1HB   LEU  95          2HB       LEU  95 -24.473  10.201  10.201
  737   2HB   LEU  95          3HB       LEU  95 -24.110  11.885  11.885
  738    HG   LEU  95           HG       LEU  95 -24.923   9.949   9.949
  739   1HD1  LEU  95          2HD1      LEU  95 -22.885   9.150   9.150
  740   2HD1  LEU  95          3HD1      LEU  95 -22.094  10.694  10.694
  741   3HD1  LEU  95          1HD1      LEU  95 -22.603   9.594   9.594
  742   1HD2  LEU  95          1HD2      LEU  95 -24.169  12.795  12.795
  743   2HD2  LEU  95          2HD2      LEU  95 -25.119  11.896  11.896
  744   3HD2  LEU  95          3HD2      LEU  95 -23.340  11.849  11.849
  745    H    CYS  96           HN       CYS  96 -25.378  13.818  13.818
  746    HA   CYS  96           HA       CYS  96 -27.175  14.324  14.324
  747   1HB   CYS  96          2HB       CYS  96 -26.184  16.621  16.621
  748   2HB   CYS  96          3HB       CYS  96 -26.919  16.101  16.101
  749    HG   CYS  96           HG       CYS  96 -24.397  17.471  17.471
  750    H    GLN  97           HN       GLN  97 -23.717  13.670  13.670
  751    HA   GLN  97           HA       GLN  97 -23.344  13.507  13.507
  752   1HB   GLN  97          2HB       GLN  97 -21.425  14.756  14.756
  753   2HB   GLN  97          3HB       GLN  97 -20.986  14.374  14.374
  754   1HG   GLN  97          2HG       GLN  97 -22.174  16.141  16.141
  755   2HG   GLN  97          3HG       GLN  97 -23.508  15.931  15.931
  756   1HE2  GLN  97          2HE2      GLN  97 -20.478  18.579  18.579
  757   2HE2  GLN  97          1HE2      GLN  97 -20.543  17.522  17.522
  758    H    LYS  98           HN       LYS  98 -22.195  11.690  11.690
  759    HA   LYS  98           HA       LYS  98 -21.985   9.552   9.552
  760   1HB   LYS  98          2HB       LYS  98 -21.344   8.266   8.266
  761   2HB   LYS  98          3HB       LYS  98 -22.456   9.462   9.462
  762   1HG   LYS  98          2HG       LYS  98 -20.830   9.927   9.927
  763   2HG   LYS  98          3HG       LYS  98 -20.032  10.793  10.793
  764   1HD   LYS  98          2HD       LYS  98 -18.289   9.358   9.358
  765   2HD   LYS  98          3HD       LYS  98 -19.318   8.100   8.100
  766   1HE   LYS  98          2HE       LYS  98 -20.169   7.656   7.656
  767   2HE   LYS  98          3HE       LYS  98 -18.989   8.807   8.807
  768   1HZ   LYS  98          1HZ       LYS  98 -18.070   6.667   6.667
  769   2HZ   LYS  98          2HZ       LYS  98 -18.421   6.309   6.309
  770   3HZ   LYS  98          3HZ       LYS  98 -17.282   7.428   7.428
  771    H    LEU  99           HN       LEU  99 -19.893   8.252   8.252
  772    HA   LEU  99           HA       LEU  99 -17.892  10.122  10.122
  773   1HB   LEU  99          2HB       LEU  99 -18.402   7.184   7.184
  774   2HB   LEU  99          3HB       LEU  99 -16.923   7.956   7.956
  775    HG   LEU  99           HG       LEU  99 -19.735   8.378   8.378
  776   1HD1  LEU  99          2HD1      LEU  99 -17.377   7.029   7.029
  777   2HD1  LEU  99          3HD1      LEU  99 -17.835   8.313   8.313
  778   3HD1  LEU  99          1HD1      LEU  99 -19.017   7.062   7.062
  779   1HD2  LEU  99          2HD2      LEU  99 -17.487  10.346  10.346
  780   2HD2  LEU  99          3HD2      LEU  99 -19.242  10.607  10.607
  781   3HD2  LEU  99          1HD2      LEU  99 -18.519  10.215  10.215
  782    H    SER 100           HN       SER 100 -15.943  10.487  10.487
  783    HA   SER 100           HA       SER 100 -15.501   9.038   9.038
  784   1HB   SER 100          2HB       SER 100 -13.862  10.850  10.850
  785   2HB   SER 100          3HB       SER 100 -15.464  11.477  11.477
  786    HG   SER 100           HG       SER 100 -13.570  12.562  12.562
  787    H    VAL 101           HN       VAL 101 -13.221  10.507  10.507
  788    HA   VAL 101           HA       VAL 101 -11.964   7.878   7.878
  789    HB   VAL 101           HB       VAL 101  -9.753   9.129   9.129
  790   1HG1  VAL 101          1HG1      VAL 101 -10.618   7.595   7.595
  791   2HG1  VAL 101          2HG1      VAL 101 -11.296   9.016   9.016
  792   3HG1  VAL 101          3HG1      VAL 101  -9.536   8.872   8.872
  793   1HG2  VAL 101          2HG2      VAL 101 -11.544  11.234  11.234
  794   2HG2  VAL 101          3HG2      VAL 101 -10.473  11.406  11.406
  795   3HG2  VAL 101          1HG2      VAL 101  -9.778  11.185  11.185
  796    HA   PRO 102           HA       PRO 102 -11.934   8.994   8.994
  797   1HB   PRO 102          2HB       PRO 102  -9.960   7.384   7.384
  798   2HB   PRO 102          3HB       PRO 102 -11.585   6.816   6.816
  799   1HG   PRO 102          2HG       PRO 102  -9.109   6.346   6.346
  800   2HG   PRO 102          3HG       PRO 102 -10.623   5.466   5.466
  801   1HD   PRO 102          2HD       PRO 102  -9.679   7.387   7.387
  802   2HD   PRO 102          3HD       PRO 102 -11.241   6.593   6.593
  803    H    CYS 103           HN       CYS 103 -10.979  10.215  10.215
  804    HA   CYS 103           HA       CYS 103  -9.313  12.190  12.190
  805   1HB   CYS 103          2HB       CYS 103 -10.854  12.190  12.190
  806   2HB   CYS 103          3HB       CYS 103  -9.489  11.497  11.497
  807    HG   CYS 103           HG       CYS 103  -9.237  14.133  14.133
  808    H    MET 104           HN       MET 104  -7.024  12.664  12.664
  809    HA   MET 104           HA       MET 104  -5.545  10.168  10.168
  810   1HB   MET 104          2HB       MET 104  -4.770  13.036  13.036
  811   2HB   MET 104          3HB       MET 104  -3.620  11.714  11.714
  812   1HG   MET 104          2HG       MET 104  -5.942  10.871  10.871
  813   2HG   MET 104          3HG       MET 104  -5.413  12.428  12.428
  814   1HE   MET 104          2HE       MET 104  -4.285  12.542  12.542
  815   2HE   MET 104          3HE       MET 104  -2.617  12.679  12.679
  816   3HE   MET 104          1HE       MET 104  -3.007  11.499  11.499
  817    H    SER 105           HN       SER 105  -3.123  10.808  10.808
  818    HA   SER 105           HA       SER 105  -3.626  12.223  12.223
  819   1HB   SER 105          2HB       SER 105  -3.030  10.456  10.456
  820   2HB   SER 105          3HB       SER 105  -3.986   9.638   9.638
  821    HG   SER 105           HG       SER 105  -2.018   8.990   8.990
  822    H    SER 106           HN       SER 106  -1.393  12.385  12.385
  823    HA   SER 106           HA       SER 106   0.914  12.120  12.120
  824   1HB   SER 106          2HB       SER 106  -0.297  14.867  14.867
  825   2HB   SER 106          3HB       SER 106   1.428  14.673  14.673
  826    HG   SER 106           HG       SER 106  -0.053  13.266  13.266
  827    H    LYS 107           HN       LYS 107   2.696  11.896  11.896
  828    HA   LYS 107           HA       LYS 107   2.248  12.669  12.669
  829   1HB   LYS 107          2HB       LYS 107   2.803  10.133  10.133
  830   2HB   LYS 107          3HB       LYS 107   4.287  10.648  10.648
  831   1HG   LYS 107          2HG       LYS 107   3.168  10.999  10.999
  832   2HG   LYS 107          3HG       LYS 107   1.583  10.843  10.843
  833   1HD   LYS 107          2HD       LYS 107   1.648   8.551   8.551
  834   2HD   LYS 107          3HD       LYS 107   3.322   8.491   8.491
  835   1HE   LYS 107          2HE       LYS 107   3.820   7.883   7.883
  836   2HE   LYS 107          3HE       LYS 107   3.538   9.557   9.557
  837   1HZ   LYS 107          1HZ       LYS 107   1.071   8.650   8.650
  838   2HZ   LYS 107          2HZ       LYS 107   1.842   7.269   7.269
  839   3HZ   LYS 107          3HZ       LYS 107   2.020   8.607   8.607

  Start of MODEL    3
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.732  -0.879  -0.879
    3   1HB   MET   1          2HB       MET   1   1.552   2.092   2.092
    4   2HB   MET   1          3HB       MET   1   2.661   1.589   1.589
    5   1HG   MET   1          2HG       MET   1   0.831   0.303   0.303
    6   2HG   MET   1          3HG       MET   1  -0.282   0.770   0.770
    7   1HE   MET   1          3HE       MET   1  -1.428   1.098   1.098
    8   2HE   MET   1          1HE       MET   1  -1.908   2.793   2.793
    9   3HE   MET   1          2HE       MET   1  -0.740   2.028   2.028
   10    H    GLU   2           HN       GLU   2   3.311  -1.818  -1.818
   11    HA   GLU   2           HA       GLU   2   5.346  -2.200  -2.200
   12   1HB   GLU   2          2HB       GLU   2   5.918  -1.055  -1.055
   13   2HB   GLU   2          3HB       GLU   2   7.213  -1.652  -1.652
   14   1HG   GLU   2          2HG       GLU   2   6.180  -3.878  -3.878
   15   2HG   GLU   2          3HG       GLU   2   4.752  -3.307  -3.307
   16    H    THR   3           HN       THR   3   5.881  -1.042  -1.042
   17    HA   THR   3           HA       THR   3   7.367   1.416   1.416
   18    HB   THR   3           HB       THR   3   5.849   2.568   2.568
   19    HG1  THR   3           HG1      THR   3   3.968   1.407   1.407
   20   1HG2  THR   3          2HG2      THR   3   5.584   2.845   2.845
   21   2HG2  THR   3          3HG2      THR   3   4.250   1.675   1.675
   22   3HG2  THR   3          1HG2      THR   3   4.163   3.232   3.232
   23    H    GLU   4           HN       GLU   4   8.780   1.910   1.910
   24    HA   GLU   4           HA       GLU   4   9.193  -0.386  -0.386
   25   1HB   GLU   4          2HB       GLU   4  10.901   1.573   1.573
   26   2HB   GLU   4          3HB       GLU   4  11.261   1.526   1.526
   27   1HG   GLU   4          2HG       GLU   4  12.641  -0.192  -0.192
   28   2HG   GLU   4          3HG       GLU   4  11.221  -1.100  -1.100
   29    H    GLU   5           HN       GLU   5   8.242  -0.346  -0.346
   30    HA   GLU   5           HA       GLU   5   8.122   2.264   2.264
   31   1HB   GLU   5          2HB       GLU   5   6.120  -0.025  -0.025
   32   2HB   GLU   5          3HB       GLU   5   6.092   1.236   1.236
   33   1HG   GLU   5          2HG       GLU   5   5.825   2.969   2.969
   34   2HG   GLU   5          3HG       GLU   5   5.967   1.759   1.759
   35    H    TRP   6           HN       TRP   6  10.455   1.190   1.190
   36    HA   TRP   6           HA       TRP   6  10.265  -0.661  -0.661
   37   1HB   TRP   6          2HB       TRP   6  12.769  -0.686  -0.686
   38   2HB   TRP   6          3HB       TRP   6  11.850  -1.366  -1.366
   39    HD1  TRP   6           HD1      TRP   6  12.382  -0.376  -0.376
   40    HE1  TRP   6           HE1      TRP   6  13.825   1.583   1.583
   41    HE3  TRP   6           HE3      TRP   6  13.513   1.813   1.813
   42    HZ2  TRP   6           HZ2      TRP   6  15.246   3.779   3.779
   43    HZ3  TRP   6           HZ3      TRP   6  14.934   3.861   3.861
   44    HH2  TRP   6           HH2      TRP   6  15.792   4.845   4.845
   45    H    PHE   7           HN       PHE   7  10.504   2.712   2.712
   46    HA   PHE   7           HA       PHE   7  11.712   3.329   3.329
   47   1HB   PHE   7          2HB       PHE   7  12.650   4.508   4.508
   48   2HB   PHE   7          3HB       PHE   7  11.062   4.807   4.807
   49    HD1  PHE   7           HD1      PHE   7  12.794   5.520   5.520
   50    HD2  PHE   7           HD2      PHE   7  10.400   7.002   7.002
   51    HE1  PHE   7           HE1      PHE   7  12.756   7.783   7.783
   52    HE2  PHE   7           HE2      PHE   7  10.363   9.265   9.265
   53   1HZ   PHE   7           HZ       PHE   7  11.541   9.629   9.629
   54    H    PHE   8           HN       PHE   8  10.672   4.718   4.718
   55    HA   PHE   8           HA       PHE   8   7.841   5.225   5.225
   56   1HB   PHE   8          2HB       PHE   8   9.250   3.697   3.697
   57   2HB   PHE   8          3HB       PHE   8   7.850   4.645   4.645
   58    HD1  PHE   8           HD1      PHE   8   8.830   2.177   2.177
   59    HD2  PHE   8           HD2      PHE   8   5.809   3.581   3.581
   60    HE1  PHE   8           HE1      PHE   8   7.324   0.306   0.306
   61    HE2  PHE   8           HE2      PHE   8   4.304   1.710   1.710
   62   1HZ   PHE   8           HZ       PHE   8   5.079   0.095   0.095
   63    H    LYS   9           HN       LYS   9   6.893   6.892   6.892
   64    HA   LYS   9           HA       LYS   9   8.572   9.124   9.124
   65   1HB   LYS   9          2HB       LYS   9   5.780   8.442   8.442
   66   2HB   LYS   9          3HB       LYS   9   6.475   9.774   9.774
   67   1HG   LYS   9          2HG       LYS   9   5.819  11.011  11.011
   68   2HG   LYS   9          3HG       LYS   9   7.335  10.451  10.451
   69   1HD   LYS   9          2HD       LYS   9   5.594   8.329   8.329
   70   2HD   LYS   9          3HD       LYS   9   4.563   9.733   9.733
   71   1HE   LYS   9          2HE       LYS   9   5.715  10.500  10.500
   72   2HE   LYS   9          3HE       LYS   9   7.273   9.993   9.993
   73   1HZ   LYS   9          2HZ       LYS   9   5.261   8.083   8.083
   74   2HZ   LYS   9          3HZ       LYS   9   6.413   8.715   8.715
   75   3HZ   LYS   9          1HZ       LYS   9   6.838   7.794   7.794
   76    H    GLY  10           HN       GLY  10   8.365  10.404  10.404
   77   1HA   GLY  10          1HA       GLY  10  10.315   9.110   9.110
   78   2HA   GLY  10          2HA       GLY  10   9.443  10.583  10.583
   79    H    ILE  11           HN       ILE  11   8.968   6.987   6.987
   80    HA   ILE  11           HA       ILE  11   6.791   7.154   7.154
   81    HB   ILE  11           HB       ILE  11   7.199   5.541   5.541
   82   1HG1  ILE  11          2HG1      ILE  11   5.939   4.674   4.674
   83   2HG1  ILE  11          3HG1      ILE  11   5.174   5.651   5.651
   84   1HG2  ILE  11          1HG2      ILE  11   8.567   4.103   4.103
   85   2HG2  ILE  11          2HG2      ILE  11   7.979   3.308   3.308
   86   3HG2  ILE  11          3HG2      ILE  11   9.257   4.544   4.544
   87   1HD1  ILE  11          2HD1      ILE  11   5.968   3.548   3.548
   88   2HD1  ILE  11          3HD1      ILE  11   5.752   2.719   2.719
   89   3HD1  ILE  11          1HD1      ILE  11   4.394   3.607   3.607
   90    H    SER  12           HN       SER  12   6.809   5.850   5.850
   91    HA   SER  12           HA       SER  12   9.196   6.496   6.496
   92   1HB   SER  12          2HB       SER  12   7.947   6.143   6.143
   93   2HB   SER  12          3HB       SER  12   6.703   6.620   6.620
   94    HG   SER  12           HG       SER  12   5.788   4.791   4.791
   95    H    ARG  13           HN       ARG  13  10.153   4.771   4.771
   96    HA   ARG  13           HA       ARG  13  10.956   2.603   2.603
   97   1HB   ARG  13          2HB       ARG  13  12.501   3.672   3.672
   98   2HB   ARG  13          3HB       ARG  13  11.451   3.255   3.255
   99   1HG   ARG  13          2HG       ARG  13  12.338   0.980   0.980
  100   2HG   ARG  13          3HG       ARG  13  13.579   1.728   1.728
  101   1HD   ARG  13          2HD       ARG  13  12.095   1.420   1.420
  102   2HD   ARG  13          3HD       ARG  13  10.933   0.584   0.584
  103    HE   ARG  13           HE       ARG  13  12.368  -1.290  -1.290
  104   1HH1  ARG  13          2HH2      ARG  13  14.031   1.441   1.441
  105   2HH1  ARG  13          1HH2      ARG  13  15.375   0.493   0.493
  106   1HH2  ARG  13          2HH1      ARG  13  14.141  -2.540  -2.540
  107   2HH2  ARG  13          1HH1      ARG  13  15.438  -1.787  -1.787
  108    H    LYS  14           HN       LYS  14   8.461   3.174   3.174
  109    HA   LYS  14           HA       LYS  14   8.115   0.353   0.353
  110   1HB   LYS  14          2HB       LYS  14   7.019   2.918   2.918
  111   2HB   LYS  14          3HB       LYS  14   6.056   1.466   1.466
  112   1HG   LYS  14          2HG       LYS  14   8.219   0.338   0.338
  113   2HG   LYS  14          3HG       LYS  14   8.888   1.955   1.955
  114   1HD   LYS  14          2HD       LYS  14   6.164   1.530   1.530
  115   2HD   LYS  14          3HD       LYS  14   7.524   0.812   0.812
  116   1HE   LYS  14          2HE       LYS  14   8.634   3.206   3.206
  117   2HE   LYS  14          3HE       LYS  14   6.985   3.741   3.741
  118   1HZ   LYS  14          2HZ       LYS  14   7.007   2.073   2.073
  119   2HZ   LYS  14          3HZ       LYS  14   8.226   3.143   3.143
  120   3HZ   LYS  14          1HZ       LYS  14   6.701   3.677   3.677
  121    H    ASP  15           HN       ASP  15   6.892   2.890   2.890
  122    HA   ASP  15           HA       ASP  15   4.480   1.546   1.546
  123   1HB   ASP  15          2HB       ASP  15   6.012   3.898   3.898
  124   2HB   ASP  15          3HB       ASP  15   4.812   3.177   3.177
  125    H    ALA  16           HN       ALA  16   7.810   1.750   1.750
  126    HA   ALA  16           HA       ALA  16   7.178   0.308   0.308
  127   1HB   ALA  16          1HB       ALA  16   9.617   1.431   1.431
  128   2HB   ALA  16          2HB       ALA  16   9.840   0.181   0.181
  129   3HB   ALA  16          3HB       ALA  16   9.000   1.698   1.698
  130    H    GLU  17           HN       GLU  17   8.161  -0.440  -0.440
  131    HA   GLU  17           HA       GLU  17   9.038  -3.051  -3.051
  132   1HB   GLU  17          2HB       GLU  17   8.537  -1.441  -1.441
  133   2HB   GLU  17          3HB       GLU  17   8.527  -3.183  -3.183
  134   1HG   GLU  17          2HG       GLU  17  10.771  -2.525  -2.525
  135   2HG   GLU  17          3HG       GLU  17  10.800  -1.418  -1.418
  136    H    ARG  18           HN       ARG  18   5.934  -1.506  -1.506
  137    HA   ARG  18           HA       ARG  18   4.680  -4.001  -4.001
  138   1HB   ARG  18          2HB       ARG  18   3.916  -1.113  -1.113
  139   2HB   ARG  18          3HB       ARG  18   2.613  -2.208  -2.208
  140   1HG   ARG  18          2HG       ARG  18   4.286  -2.981  -2.981
  141   2HG   ARG  18          3HG       ARG  18   3.265  -1.571  -1.571
  142   1HD   ARG  18          2HD       ARG  18   1.889  -3.853  -3.853
  143   2HD   ARG  18          3HD       ARG  18   2.429  -4.206  -4.206
  144    HE   ARG  18           HE       ARG  18   1.091  -1.615  -1.615
  145   1HH1  ARG  18          2HH2      ARG  18   0.584  -5.075  -5.075
  146   2HH1  ARG  18          1HH2      ARG  18  -0.954  -4.892  -4.892
  147   1HH2  ARG  18          2HH1      ARG  18  -0.938  -1.373  -1.373
  148   2HH2  ARG  18          1HH1      ARG  18  -1.826  -2.772  -2.772
  149    H    GLN  19           HN       GLN  19   5.435  -2.016  -2.016
  150    HA   GLN  19           HA       GLN  19   3.299  -2.968  -2.968
  151   1HB   GLN  19          2HB       GLN  19   5.817  -1.363  -1.363
  152   2HB   GLN  19          3HB       GLN  19   4.875  -1.960  -1.960
  153   1HG   GLN  19          2HG       GLN  19   2.948  -0.859  -0.859
  154   2HG   GLN  19          3HG       GLN  19   4.292   0.262   0.262
  155   1HE2  GLN  19          2HE2      GLN  19   4.056   1.494   1.494
  156   2HE2  GLN  19          1HE2      GLN  19   5.009   1.340   1.340
  157    H    LEU  20           HN       LEU  20   6.655  -3.928  -3.928
  158    HA   LEU  20           HA       LEU  20   6.713  -5.827  -5.827
  159   1HB   LEU  20          2HB       LEU  20   8.608  -5.046  -5.046
  160   2HB   LEU  20          3HB       LEU  20   8.898  -6.455  -6.455
  161    HG   LEU  20           HG       LEU  20   8.421  -3.763  -3.763
  162   1HD1  LEU  20          3HD1      LEU  20  10.591  -4.390  -4.390
  163   2HD1  LEU  20          1HD1      LEU  20  11.213  -4.239  -4.239
  164   3HD1  LEU  20          2HD1      LEU  20  10.288  -2.904  -2.904
  165   1HD2  LEU  20          3HD2      LEU  20   9.074  -6.414  -6.414
  166   2HD2  LEU  20          1HD2      LEU  20   8.676  -4.952  -4.952
  167   3HD2  LEU  20          2HD2      LEU  20  10.361  -5.270  -5.270
  168    H    LEU  21           HN       LEU  21   6.058  -5.726  -5.726
  169    HA   LEU  21           HA       LEU  21   6.087  -8.558  -8.558
  170   1HB   LEU  21          2HB       LEU  21   5.323  -6.213  -6.213
  171   2HB   LEU  21          3HB       LEU  21   4.786  -7.814  -7.814
  172    HG   LEU  21           HG       LEU  21   7.684  -7.079  -7.079
  173   1HD1  LEU  21          3HD1      LEU  21   5.967  -6.843  -6.843
  174   2HD1  LEU  21          1HD1      LEU  21   7.645  -7.403  -7.403
  175   3HD1  LEU  21          2HD1      LEU  21   7.319  -5.828  -5.828
  176   1HD2  LEU  21          2HD2      LEU  21   6.279  -9.569  -9.569
  177   2HD2  LEU  21          3HD2      LEU  21   7.623  -9.367  -9.367
  178   3HD2  LEU  21          1HD2      LEU  21   7.916  -9.208  -9.208
  179    H    ALA  22           HN       ALA  22   3.901  -6.252  -6.252
  180    HA   ALA  22           HA       ALA  22   1.440  -7.329  -7.329
  181   1HB   ALA  22          2HB       ALA  22   2.149  -5.197  -5.197
  182   2HB   ALA  22          3HB       ALA  22   2.116  -6.271  -6.271
  183   3HB   ALA  22          1HB       ALA  22   0.641  -6.027  -6.027
  184    HA   PRO  23           HA       PRO  23   1.352 -11.114 -11.114
  185   1HB   PRO  23          2HB       PRO  23  -1.332 -11.470 -11.470
  186   2HB   PRO  23          3HB       PRO  23  -0.528 -11.790 -11.790
  187   1HG   PRO  23          2HG       PRO  23  -2.259  -9.511  -9.511
  188   2HG   PRO  23          3HG       PRO  23  -1.803 -10.071 -10.071
  189   1HD   PRO  23          2HD       PRO  23  -0.746  -7.793  -7.793
  190   2HD   PRO  23          3HD       PRO  23  -0.210  -8.421  -8.421
  191    H    GLY  24           HN       GLY  24   0.608  -8.265  -8.265
  192   1HA   GLY  24          1HA       GLY  24  -0.191  -9.386  -9.386
  193   2HA   GLY  24          2HA       GLY  24   0.174  -7.712  -7.712
  194    H    ASN  25           HN       ASN  25   2.793  -9.036  -9.036
  195    HA   ASN  25           HA       ASN  25   4.218  -9.115  -9.115
  196   1HB   ASN  25          2HB       ASN  25   5.061  -8.063  -8.063
  197   2HB   ASN  25          3HB       ASN  25   6.225  -8.360  -8.360
  198   1HD2  ASN  25          2HD2      ASN  25   3.780  -5.085  -5.085
  199   2HD2  ASN  25          1HD2      ASN  25   3.708  -6.344  -6.344
  200    H    MET  26           HN       MET  26   6.576 -10.250 -10.250
  201    HA   MET  26           HA       MET  26   6.284 -12.348 -12.348
  202   1HB   MET  26          2HB       MET  26   6.581 -14.161 -14.161
  203   2HB   MET  26          3HB       MET  26   5.191 -13.210 -13.210
  204   1HG   MET  26          2HG       MET  26   6.601 -11.947 -11.947
  205   2HG   MET  26          3HG       MET  26   8.011 -12.861 -12.861
  206   1HE   MET  26          3HE       MET  26   5.295 -12.510 -12.510
  207   2HE   MET  26          1HE       MET  26   6.962 -12.676 -12.676
  208   3HE   MET  26          2HE       MET  26   5.725 -13.870 -13.870
  209    H    LEU  27           HN       LEU  27   8.364 -13.699 -13.699
  210    HA   LEU  27           HA       LEU  27  10.529 -12.181 -12.181
  211   1HB   LEU  27          2HB       LEU  27   9.920 -14.849 -14.849
  212   2HB   LEU  27          3HB       LEU  27  11.183 -14.816 -14.816
  213    HG   LEU  27           HG       LEU  27  11.887 -15.227 -15.227
  214   1HD1  LEU  27          1HD1      LEU  27  13.119 -13.195 -13.195
  215   2HD1  LEU  27          2HD1      LEU  27  13.856 -13.528 -13.528
  216   3HD1  LEU  27          3HD1      LEU  27  13.655 -14.844 -14.844
  217   1HD2  LEU  27          2HD2      LEU  27  10.365 -13.310 -13.310
  218   2HD2  LEU  27          3HD2      LEU  27  11.968 -13.511 -13.511
  219   3HD2  LEU  27          1HD2      LEU  27  11.708 -12.242 -12.242
  220    H    GLY  28           HN       GLY  28  12.199 -11.227 -11.227
  221   1HA   GLY  28          1HA       GLY  28  13.617 -11.111 -11.111
  222   2HA   GLY  28          2HA       GLY  28  12.322 -11.730 -11.730
  223    H    SER  29           HN       SER  29  10.318  -9.938  -9.938
  224    HA   SER  29           HA       SER  29  10.269  -7.893  -7.893
  225   1HB   SER  29          2HB       SER  29   9.040  -8.076  -8.076
  226   2HB   SER  29          3HB       SER  29   8.631  -6.825  -6.825
  227    HG   SER  29           HG       SER  29   7.691  -8.332  -8.332
  228    H    PHE  30           HN       PHE  30  11.114  -5.792  -5.792
  229    HA   PHE  30           HA       PHE  30  12.492  -4.858  -4.858
  230   1HB   PHE  30          2HB       PHE  30  14.447  -4.272  -4.272
  231   2HB   PHE  30          3HB       PHE  30  14.151  -5.999  -5.999
  232    HD1  PHE  30           HD1      PHE  30  13.266  -7.079  -7.079
  233    HD2  PHE  30           HD2      PHE  30  13.998  -2.900  -2.900
  234    HE1  PHE  30           HE1      PHE  30  13.102  -7.012  -7.012
  235    HE2  PHE  30           HE2      PHE  30  13.834  -2.833  -2.833
  236   1HZ   PHE  30           HZ       PHE  30  13.388  -4.890  -4.890
  237    H    MET  31           HN       MET  31  12.834  -2.520  -2.520
  238    HA   MET  31           HA       MET  31  11.556  -1.061  -1.061
  239   1HB   MET  31          2HB       MET  31  10.144   0.207   0.207
  240   2HB   MET  31          3HB       MET  31   9.685  -1.478  -1.478
  241   1HG   MET  31          2HG       MET  31  10.496  -2.032  -2.032
  242   2HG   MET  31          3HG       MET  31  11.785  -0.847  -0.847
  243   1HE   MET  31          2HE       MET  31   8.222  -1.712  -1.712
  244   2HE   MET  31          3HE       MET  31   7.429  -0.194  -0.194
  245   3HE   MET  31          1HE       MET  31   7.768  -0.512  -0.512
  246    H    ILE  32           HN       ILE  32  12.131   1.230   1.230
  247    HA   ILE  32           HA       ILE  32  14.439   1.783   1.783
  248    HB   ILE  32           HB       ILE  32  13.910   2.318   2.318
  249   1HG1  ILE  32          2HG1      ILE  32  16.476   1.513   1.513
  250   2HG1  ILE  32          3HG1      ILE  32  15.253   0.341   0.341
  251   1HG2  ILE  32          1HG2      ILE  32  14.347   4.526   4.526
  252   2HG2  ILE  32          2HG2      ILE  32  15.848   3.904   3.904
  253   3HG2  ILE  32          3HG2      ILE  32  15.683   3.985   3.985
  254   1HD1  ILE  32          3HD1      ILE  32  16.255   2.342   2.342
  255   2HD1  ILE  32          1HD1      ILE  32  17.180   0.861   0.861
  256   3HD1  ILE  32          2HD1      ILE  32  15.515   0.745   0.745
  257    H    ARG  33           HN       ARG  33  14.580   3.825   3.825
  258    HA   ARG  33           HA       ARG  33  12.520   5.717   5.717
  259   1HB   ARG  33          2HB       ARG  33  11.585   5.790   5.790
  260   2HB   ARG  33          3HB       ARG  33  11.455   4.145   4.145
  261   1HG   ARG  33          2HG       ARG  33  13.696   3.672   3.672
  262   2HG   ARG  33          3HG       ARG  33  13.530   5.243   5.243
  263   1HD   ARG  33          2HD       ARG  33  11.345   4.560   4.560
  264   2HD   ARG  33          3HD       ARG  33  11.456   3.003   3.003
  265    HE   ARG  33           HE       ARG  33  13.038   2.304   2.304
  266   1HH1  ARG  33          2HH2      ARG  33  12.576   5.785   5.785
  267   2HH1  ARG  33          1HH2      ARG  33  13.476   5.935   5.935
  268   1HH2  ARG  33          2HH1      ARG  33  14.226   2.502   2.502
  269   2HH2  ARG  33          1HH1      ARG  33  14.422   4.056   4.056
  270    H    ASP  34           HN       ASP  34  13.110   7.850   7.850
  271    HA   ASP  34           HA       ASP  34  15.871   8.140   8.140
  272   1HB   ASP  34          2HB       ASP  34  13.965   9.713   9.713
  273   2HB   ASP  34          3HB       ASP  34  13.956  10.412  10.412
  274    H    SER  35           HN       SER  35  16.864   9.120   9.120
  275    HA   SER  35           HA       SER  35  15.656   8.228   8.228
  276   1HB   SER  35          2HB       SER  35  18.061   8.194   8.194
  277   2HB   SER  35          3HB       SER  35  18.131   9.891   9.891
  278    HG   SER  35           HG       SER  35  18.106  10.432  10.432
  279    H    GLU  36           HN       GLU  36  14.382   9.336   9.336
  280    HA   GLU  36           HA       GLU  36  13.549  11.953  11.953
  281   1HB   GLU  36          2HB       GLU  36  11.739  11.643  11.643
  282   2HB   GLU  36          3HB       GLU  36  12.084  10.007  10.007
  283   1HG   GLU  36          2HG       GLU  36  13.603   9.805   9.805
  284   2HG   GLU  36          3HG       GLU  36  12.898  11.314  11.314
  285    H    THR  37           HN       THR  37  16.053  10.640  10.640
  286    HA   THR  37           HA       THR  37  16.067  12.830  12.830
  287    HB   THR  37           HB       THR  37  18.187  11.466  11.466
  288    HG1  THR  37           HG1      THR  37  17.983   9.255   9.255
  289   1HG2  THR  37          1HG2      THR  37  15.323  10.792  10.792
  290   2HG2  THR  37          2HG2      THR  37  16.361   9.348   9.348
  291   3HG2  THR  37          3HG2      THR  37  16.613  10.689  10.689
  292    H    THR  38           HN       THR  38  18.944  11.470  11.470
  293    HA   THR  38           HA       THR  38  19.832  14.182  14.182
  294    HB   THR  38           HB       THR  38  21.084  11.403  11.403
  295    HG1  THR  38           HG1      THR  38  21.272  11.948  11.948
  296   1HG2  THR  38          1HG2      THR  38  22.230  14.203  14.203
  297   2HG2  THR  38          2HG2      THR  38  23.248  12.792  12.792
  298   3HG2  THR  38          3HG2      THR  38  22.286  12.822  12.822
  299    H    LYS  39           HN       LYS  39  18.479  15.008  15.008
  300    HA   LYS  39           HA       LYS  39  17.725  13.675  13.675
  301   1HB   LYS  39          2HB       LYS  39  18.003  16.539  16.539
  302   2HB   LYS  39          3HB       LYS  39  17.772  16.191  16.191
  303   1HG   LYS  39          2HG       LYS  39  15.857  14.552  14.552
  304   2HG   LYS  39          3HG       LYS  39  15.906  15.707  15.707
  305   1HD   LYS  39          2HD       LYS  39  15.940  17.189  17.189
  306   2HD   LYS  39          3HD       LYS  39  14.659  15.998  15.998
  307   1HE   LYS  39          2HE       LYS  39  13.496  16.878  16.878
  308   2HE   LYS  39          3HE       LYS  39  14.929  17.628  17.628
  309   1HZ   LYS  39          3HZ       LYS  39  13.813  18.503  18.503
  310   2HZ   LYS  39          1HZ       LYS  39  13.287  19.117  19.117
  311   3HZ   LYS  39          2HZ       LYS  39  14.848  19.305  19.305
  312    H    GLY  40           HN       GLY  40  18.634  13.270  13.270
  313   1HA   GLY  40          1HA       GLY  40  20.276  13.865  13.865
  314   2HA   GLY  40          2HA       GLY  40  21.420  14.187  14.187
  315    H    SER  41           HN       SER  41  20.135  11.689  11.689
  316    HA   SER  41           HA       SER  41  21.800   9.796   9.796
  317   1HB   SER  41          2HB       SER  41  20.969   9.926   9.926
  318   2HB   SER  41          3HB       SER  41  21.788   8.541   8.541
  319    HG   SER  41           HG       SER  41  22.861  10.892  10.892
  320    H    TYR  42           HN       TYR  42  21.009   7.578   7.578
  321    HA   TYR  42           HA       TYR  42  18.072   7.454   7.454
  322   1HB   TYR  42          2HB       TYR  42  20.316   6.509   6.509
  323   2HB   TYR  42          3HB       TYR  42  18.895   5.487   5.487
  324    HD1  TYR  42           HD2      TYR  42  20.036   8.933   8.933
  325    HD2  TYR  42           HD1      TYR  42  16.916   6.029   6.029
  326    HE1  TYR  42           HE2      TYR  42  18.863  10.399  10.399
  327    HE2  TYR  42           HE1      TYR  42  15.753   7.505   7.505
  328    HH   TYR  42           HH       TYR  42  16.005   9.244   9.244
  329    H    SER  43           HN       SER  43  17.114   5.296   5.296
  330    HA   SER  43           HA       SER  43  18.930   3.537   3.537
  331   1HB   SER  43          2HB       SER  43  16.188   4.208   4.208
  332   2HB   SER  43          3HB       SER  43  17.502   3.368   3.368
  333    HG   SER  43           HG       SER  43  18.522   5.249   5.249
  334    H    LEU  44           HN       LEU  44  18.670   1.451   1.451
  335    HA   LEU  44           HA       LEU  44  16.261   0.893   0.893
  336   1HB   LEU  44          2HB       LEU  44  18.198   0.493   0.493
  337   2HB   LEU  44          3HB       LEU  44  19.025  -0.275  -0.275
  338    HG   LEU  44           HG       LEU  44  17.239  -2.125  -2.125
  339   1HD1  LEU  44          3HD1      LEU  44  15.850  -0.599  -0.599
  340   2HD1  LEU  44          1HD1      LEU  44  16.943  -1.210  -1.210
  341   3HD1  LEU  44          2HD1      LEU  44  15.946  -2.347  -2.347
  342   1HD2  LEU  44          3HD2      LEU  44  19.748  -1.959  -1.959
  343   2HD2  LEU  44          1HD2      LEU  44  18.711  -3.378  -3.378
  344   3HD2  LEU  44          2HD2      LEU  44  18.908  -2.151  -2.151
  345    H    SER  45           HN       SER  45  14.948  -0.953  -0.953
  346    HA   SER  45           HA       SER  45  15.512  -2.258  -2.258
  347   1HB   SER  45          2HB       SER  45  12.663  -1.529  -1.529
  348   2HB   SER  45          3HB       SER  45  13.365  -1.868  -1.868
  349    HG   SER  45           HG       SER  45  13.914   0.483   0.483
  350    H    VAL  46           HN       VAL  46  15.128  -4.482  -4.482
  351    HA   VAL  46           HA       VAL  46  13.567  -5.495  -5.495
  352    HB   VAL  46           HB       VAL  46  16.220  -6.635  -6.635
  353   1HG1  VAL  46          3HG1      VAL  46  14.338  -7.245  -7.245
  354   2HG1  VAL  46          1HG1      VAL  46  16.024  -7.812  -7.812
  355   3HG1  VAL  46          2HG1      VAL  46  14.867  -8.330  -8.330
  356   1HG2  VAL  46          3HG2      VAL  46  16.362  -4.320  -4.320
  357   2HG2  VAL  46          1HG2      VAL  46  17.283  -5.612  -5.612
  358   3HG2  VAL  46          2HG2      VAL  46  15.734  -5.063  -5.063
  359    H    ARG  47           HN       ARG  47  12.662  -7.651  -7.651
  360    HA   ARG  47           HA       ARG  47  12.117  -7.947  -7.947
  361   1HB   ARG  47          2HB       ARG  47  10.415  -8.045  -8.045
  362   2HB   ARG  47          3HB       ARG  47  10.944  -9.710  -9.710
  363   1HG   ARG  47          2HG       ARG  47  10.373  -9.049  -9.049
  364   2HG   ARG  47          3HG       ARG  47   8.993  -8.661  -8.661
  365   1HD   ARG  47          2HD       ARG  47   9.697 -11.123 -11.123
  366   2HD   ARG  47          3HD       ARG  47  10.183 -11.324 -11.324
  367    HE   ARG  47           HE       ARG  47   7.925 -11.227 -11.227
  368   1HH1  ARG  47          2HH2      ARG  47   8.227 -10.226 -10.226
  369   2HH1  ARG  47          1HH2      ARG  47   6.520 -10.237 -10.237
  370   1HH2  ARG  47          2HH1      ARG  47   5.672 -11.241 -11.241
  371   2HH2  ARG  47          1HH1      ARG  47   5.056 -10.818 -10.818
  372    H    ASP  48           HN       ASP  48  12.799  -9.710  -9.710
  373    HA   ASP  48           HA       ASP  48  14.051 -11.902 -11.902
  374   1HB   ASP  48          2HB       ASP  48  15.786 -10.173 -10.173
  375   2HB   ASP  48          3HB       ASP  48  15.317 -10.550 -10.550
  376    H    TYR  49           HN       TYR  49  14.345 -13.838 -13.838
  377    HA   TYR  49           HA       TYR  49  12.577 -13.648 -13.648
  378   1HB   TYR  49          2HB       TYR  49  11.600 -14.689 -14.689
  379   2HB   TYR  49          3HB       TYR  49  12.800 -15.954 -15.954
  380    HD1  TYR  49           HD2      TYR  49  12.653 -17.573 -17.573
  381    HD2  TYR  49           HD1      TYR  49   9.624 -14.623 -14.623
  382    HE1  TYR  49           HE2      TYR  49  11.061 -18.861 -18.861
  383    HE2  TYR  49           HE1      TYR  49   8.042 -15.922 -15.922
  384    HH   TYR  49           HH       TYR  49   8.461 -17.607 -17.607
  385    H    ASP  50           HN       ASP  50  13.051 -15.165 -15.165
  386    HA   ASP  50           HA       ASP  50  15.633 -16.468 -16.468
  387   1HB   ASP  50          2HB       ASP  50  14.747 -14.469 -14.469
  388   2HB   ASP  50          3HB       ASP  50  15.462 -15.896 -15.896
  389    HA   PRO  51           HA       PRO  51  13.376 -19.833 -19.833
  390   1HB   PRO  51          2HB       PRO  51  15.419 -21.525 -21.525
  391   2HB   PRO  51          3HB       PRO  51  14.790 -21.371 -21.371
  392   1HG   PRO  51          2HG       PRO  51  17.316 -20.318 -20.318
  393   2HG   PRO  51          3HG       PRO  51  16.870 -20.548 -20.548
  394   1HD   PRO  51          2HD       PRO  51  16.936 -18.064 -18.064
  395   2HD   PRO  51          3HD       PRO  51  16.380 -18.312 -18.312
  396    H    ARG  52           HN       ARG  52  15.165 -17.745 -17.745
  397    HA   ARG  52           HA       ARG  52  14.615 -19.209 -19.209
  398   1HB   ARG  52          2HB       ARG  52  16.377 -16.850 -16.850
  399   2HB   ARG  52          3HB       ARG  52  15.895 -17.062 -17.062
  400   1HG   ARG  52          2HG       ARG  52  17.721 -18.432 -18.432
  401   2HG   ARG  52          3HG       ARG  52  16.679 -19.627 -19.627
  402   1HD   ARG  52          2HD       ARG  52  17.572 -18.243 -18.243
  403   2HD   ARG  52          3HD       ARG  52  18.966 -18.117 -18.117
  404    HE   ARG  52           HE       ARG  52  17.932 -20.559 -20.559
  405   1HH1  ARG  52          2HH2      ARG  52  19.860 -19.273 -19.273
  406   2HH1  ARG  52          1HH2      ARG  52  20.757 -20.737 -20.737
  407   1HH2  ARG  52          2HH1      ARG  52  19.117 -22.490 -22.490
  408   2HH2  ARG  52          1HH1      ARG  52  20.332 -22.579 -22.579
  409    H    GLN  53           HN       GLN  53  14.272 -15.837 -15.837
  410    HA   GLN  53           HA       GLN  53  12.233 -15.310 -15.310
  411   1HB   GLN  53          2HB       GLN  53  13.575 -13.617 -13.617
  412   2HB   GLN  53          3HB       GLN  53  12.239 -13.015 -13.015
  413   1HG   GLN  53          2HG       GLN  53  14.010 -14.164 -14.164
  414   2HG   GLN  53          3HG       GLN  53  15.058 -13.348 -13.348
  415   1HE2  GLN  53          2HE2      GLN  53  13.003 -11.301 -11.301
  416   2HE2  GLN  53          1HE2      GLN  53  13.193 -13.022 -13.022
  417    H    GLY  54           HN       GLY  54  12.557 -15.273 -15.273
  418   1HA   GLY  54          1HA       GLY  54  10.738 -16.594 -16.594
  419   2HA   GLY  54          2HA       GLY  54   9.624 -15.623 -15.623
  420    H    ASP  55           HN       ASP  55   8.745 -13.905 -13.905
  421    HA   ASP  55           HA       ASP  55   9.850 -13.127 -13.127
  422   1HB   ASP  55          2HB       ASP  55   7.672 -11.740 -11.740
  423   2HB   ASP  55          3HB       ASP  55   7.947 -11.571 -11.571
  424    H    THR  56           HN       THR  56  11.172 -11.310 -11.310
  425    HA   THR  56           HA       THR  56  11.354  -9.222  -9.222
  426    HB   THR  56           HB       THR  56  13.730  -9.521  -9.521
  427    HG1  THR  56           HG1      THR  56  14.733 -10.313 -10.313
  428   1HG2  THR  56          3HG2      THR  56  12.544 -12.342 -12.342
  429   2HG2  THR  56          1HG2      THR  56  13.978 -11.860 -11.860
  430   3HG2  THR  56          2HG2      THR  56  12.368 -11.257 -11.257
  431    H    VAL  57           HN       VAL  57  12.861  -7.416  -7.416
  432    HA   VAL  57           HA       VAL  57  12.858  -7.336  -7.336
  433    HB   VAL  57           HB       VAL  57  11.803  -5.036  -5.036
  434   1HG1  VAL  57          2HG1      VAL  57  11.571  -5.809  -5.809
  435   2HG1  VAL  57          3HG1      VAL  57  10.782  -4.403  -4.403
  436   3HG1  VAL  57          1HG1      VAL  57  12.559  -4.495  -4.495
  437   1HG2  VAL  57          1HG2      VAL  57  10.209  -7.325  -7.325
  438   2HG2  VAL  57          2HG2      VAL  57  10.308  -6.859  -6.859
  439   3HG2  VAL  57          3HG2      VAL  57   9.508  -5.782  -5.782
  440    H    LYS  58           HN       LYS  58  14.797  -6.630  -6.630
  441    HA   LYS  58           HA       LYS  58  16.629  -5.540  -5.540
  442   1HB   LYS  58          2HB       LYS  58  16.940  -6.734  -6.734
  443   2HB   LYS  58          3HB       LYS  58  18.244  -5.838  -5.838
  444   1HG   LYS  58          2HG       LYS  58  16.848  -8.033  -8.033
  445   2HG   LYS  58          3HG       LYS  58  18.061  -8.456  -8.456
  446   1HD   LYS  58          2HD       LYS  58  18.665  -6.341  -6.341
  447   2HD   LYS  58          3HD       LYS  58  18.791  -8.039  -8.039
  448   1HE   LYS  58          2HE       LYS  58  20.183  -6.870  -6.870
  449   2HE   LYS  58          3HE       LYS  58  20.940  -6.875  -6.875
  450   1HZ   LYS  58          2HZ       LYS  58  19.958  -9.408  -9.408
  451   2HZ   LYS  58          3HZ       LYS  58  20.686  -8.987  -8.987
  452   3HZ   LYS  58          1HZ       LYS  58  21.523  -8.942  -8.942
  453    H    HIS  59           HN       HIS  59  18.101  -3.692  -3.692
  454    HA   HIS  59           HA       HIS  59  16.820  -1.918  -1.918
  455   1HB   HIS  59          2HB       HIS  59  17.117  -1.210  -1.210
  456   2HB   HIS  59          3HB       HIS  59  16.823  -0.033  -0.033
  457    HD1  HIS  59           HD1      HIS  59  14.431   0.176   0.176
  458    HD2  HIS  59           HD2      HIS  59  14.909  -2.982  -2.982
  459    HE1  HIS  59           HE1      HIS  59  12.082  -0.652  -0.652
  460    H    TYR  60           HN       TYR  60  18.536  -1.589  -1.589
  461    HA   TYR  60           HA       TYR  60  21.179  -1.333  -1.333
  462   1HB   TYR  60          2HB       TYR  60  20.041  -1.596  -1.596
  463   2HB   TYR  60          3HB       TYR  60  21.759  -1.459  -1.459
  464    HD1  TYR  60           HD2      TYR  60  22.569  -3.240  -3.240
  465    HD2  TYR  60           HD1      TYR  60  19.264  -3.734  -3.734
  466    HE1  TYR  60           HE2      TYR  60  22.713  -5.763  -5.763
  467    HE2  TYR  60           HE1      TYR  60  19.420  -6.255  -6.255
  468    HH   TYR  60           HH       TYR  60  21.913  -7.682  -7.682
  469    H    LYS  61           HN       LYS  61  22.632   0.417   0.417
  470    HA   LYS  61           HA       LYS  61  21.101   2.868   2.868
  471   1HB   LYS  61          2HB       LYS  61  23.658   2.221   2.221
  472   2HB   LYS  61          3HB       LYS  61  23.442   3.828   3.828
  473   1HG   LYS  61          2HG       LYS  61  21.130   2.698   2.698
  474   2HG   LYS  61          3HG       LYS  61  22.559   3.116   3.116
  475   1HD   LYS  61          2HD       LYS  61  22.322   5.341   5.341
  476   2HD   LYS  61          3HD       LYS  61  20.639   4.895   4.895
  477   1HE   LYS  61          2HE       LYS  61  21.691   4.626   4.626
  478   2HE   LYS  61          3HE       LYS  61  22.501   6.049   6.049
  479   1HZ   LYS  61          3HZ       LYS  61  20.062   6.550   6.550
  480   2HZ   LYS  61          1HZ       LYS  61  19.694   5.632   5.632
  481   3HZ   LYS  61          2HZ       LYS  61  20.597   6.980   6.980
  482    H    ILE  62           HN       ILE  62  21.815   4.420   4.420
  483    HA   ILE  62           HA       ILE  62  23.649   3.279   3.279
  484    HB   ILE  62           HB       ILE  62  20.951   4.547   4.547
  485   1HG1  ILE  62          2HG1      ILE  62  21.933   2.051   2.051
  486   2HG1  ILE  62          3HG1      ILE  62  21.467   1.969   1.969
  487   1HG2  ILE  62          2HG2      ILE  62  23.297   4.903   4.903
  488   2HG2  ILE  62          3HG2      ILE  62  22.114   3.912   3.912
  489   3HG2  ILE  62          1HG2      ILE  62  21.644   5.510   5.510
  490   1HD1  ILE  62          2HD1      ILE  62  19.615   3.386   3.386
  491   2HD1  ILE  62          3HD1      ILE  62  19.666   1.607   1.607
  492   3HD1  ILE  62          1HD1      ILE  62  19.228   2.470   2.470
  493    H    ARG  63           HN       ARG  63  25.469   4.482   4.482
  494    HA   ARG  63           HA       ARG  63  25.117   7.281   7.281
  495   1HB   ARG  63          2HB       ARG  63  27.405   5.311   5.311
  496   2HB   ARG  63          3HB       ARG  63  27.805   7.010   7.010
  497   1HG   ARG  63          2HG       ARG  63  25.709   6.426   6.426
  498   2HG   ARG  63          3HG       ARG  63  27.281   5.741   5.741
  499   1HD   ARG  63          2HD       ARG  63  28.118   8.208   8.208
  500   2HD   ARG  63          3HD       ARG  63  26.484   8.639   8.639
  501    HE   ARG  63           HE       ARG  63  27.311   7.084   7.084
  502   1HH1  ARG  63          2HH2      ARG  63  28.716   9.869   9.869
  503   2HH1  ARG  63          1HH2      ARG  63  29.533  10.445  10.445
  504   1HH2  ARG  63          2HH1      ARG  63  28.388   7.844   7.844
  505   2HH2  ARG  63          1HH1      ARG  63  29.345   9.285   9.285
  506    H    THR  64           HN       THR  64  26.412   8.931   8.931
  507    HA   THR  64           HA       THR  64  26.666   8.088   8.088
  508    HB   THR  64           HB       THR  64  26.102  10.497  10.497
  509    HG1  THR  64           HG1      THR  64  26.822  11.462  11.462
  510   1HG2  THR  64          1HG2      THR  64  24.305   8.546   8.546
  511   2HG2  THR  64          2HG2      THR  64  23.886  10.148  10.148
  512   3HG2  THR  64          3HG2      THR  64  23.904   9.882   9.882
  513    H    LEU  65           HN       LEU  65  28.299   9.321   9.321
  514    HA   LEU  65           HA       LEU  65  30.756   9.324   9.324
  515   1HB   LEU  65          2HB       LEU  65  30.003   9.378   9.378
  516   2HB   LEU  65          3HB       LEU  65  31.616   9.863   9.863
  517    HG   LEU  65           HG       LEU  65  30.422   7.204   7.204
  518   1HD1  LEU  65          1HD1      LEU  65  30.388   7.380   7.380
  519   2HD1  LEU  65          2HD1      LEU  65  32.124   7.773   7.773
  520   3HD1  LEU  65          3HD1      LEU  65  31.569   6.177   6.177
  521   1HD2  LEU  65          1HD2      LEU  65  32.325   7.944   7.944
  522   2HD2  LEU  65          2HD2      LEU  65  32.766   6.553   6.553
  523   3HD2  LEU  65          3HD2      LEU  65  33.284   8.193   8.193
  524    H    ASP  66           HN       ASP  66  32.369  11.208  11.208
  525    HA   ASP  66           HA       ASP  66  31.039  13.606  13.606
  526   1HB   ASP  66          2HB       ASP  66  33.938  12.779  12.779
  527   2HB   ASP  66          3HB       ASP  66  33.522  14.467  14.467
  528    H    ASN  67           HN       ASN  67  30.474  12.496  12.496
  529    HA   ASN  67           HA       ASN  67  31.098  14.834  14.834
  530   1HB   ASN  67          2HB       ASN  67  33.102  13.295  13.295
  531   2HB   ASN  67          3HB       ASN  67  32.007  12.110  12.110
  532   1HD2  ASN  67          2HD2      ASN  67  32.976  13.546  13.546
  533   2HD2  ASN  67          1HD2      ASN  67  33.229  12.265  12.265
  534    H    GLY  68           HN       GLY  68  29.916  11.408  11.408
  535   1HA   GLY  68          1HA       GLY  68  27.289  11.806  11.806
  536   2HA   GLY  68          2HA       GLY  68  27.970  11.870  11.870
  537    H    GLY  69           HN       GLY  69  26.332   9.819   9.819
  538   1HA   GLY  69          1HA       GLY  69  26.298   7.551   7.551
  539   2HA   GLY  69          2HA       GLY  69  28.002   7.466   7.466
  540    H    PHE  70           HN       PHE  70  25.764   5.731   5.731
  541    HA   PHE  70           HA       PHE  70  26.005   6.300   6.300
  542   1HB   PHE  70          2HB       PHE  70  23.809   4.795   4.795
  543   2HB   PHE  70          3HB       PHE  70  23.760   5.204   5.204
  544    HD1  PHE  70           HD2      PHE  70  24.081   6.879   6.879
  545    HD2  PHE  70           HD1      PHE  70  22.579   7.081   7.081
  546    HE1  PHE  70           HE2      PHE  70  22.917   9.034   9.034
  547    HE2  PHE  70           HE1      PHE  70  21.415   9.235   9.235
  548   1HZ   PHE  70           HZ       PHE  70  21.598  10.186  10.186
  549    H    TYR  71           HN       TYR  71  26.616   4.600   4.600
  550    HA   TYR  71           HA       TYR  71  26.843   1.948   1.948
  551   1HB   TYR  71          2HB       TYR  71  29.248   1.894   1.894
  552   2HB   TYR  71          3HB       TYR  71  29.002   3.219   3.219
  553    HD1  TYR  71           HD1      TYR  71  28.763   5.577   5.577
  554    HD2  TYR  71           HD2      TYR  71  30.029   2.282   2.282
  555    HE1  TYR  71           HE1      TYR  71  29.729   7.193   7.193
  556    HE2  TYR  71           HE2      TYR  71  30.991   3.909   3.909
  557    HH   TYR  71           HH       TYR  71  31.611   6.020   6.020
  558    H    ILE  72           HN       ILE  72  26.766   0.263   0.263
  559    HA   ILE  72           HA       ILE  72  25.997   1.175   1.175
  560    HB   ILE  72           HB       ILE  72  25.529  -1.404  -1.404
  561   1HG1  ILE  72          2HG1      ILE  72  23.632   0.783   0.783
  562   2HG1  ILE  72          3HG1      ILE  72  24.169   0.506   0.506
  563   1HG2  ILE  72          2HG2      ILE  72  25.765  -1.113  -1.113
  564   2HG2  ILE  72          3HG2      ILE  72  24.013  -1.107  -1.107
  565   3HG2  ILE  72          1HG2      ILE  72  25.016  -2.464  -2.464
  566   1HD1  ILE  72          1HD1      ILE  72  23.200  -2.003  -2.003
  567   2HD1  ILE  72          2HD1      ILE  72  21.987  -0.743  -0.743
  568   3HD1  ILE  72          3HD1      ILE  72  22.537  -1.032  -1.032
  569    H    SER  73           HN       SER  73  28.197  -1.081  -1.081
  570    HA   SER  73           HA       SER  73  29.707  -1.239  -1.239
  571   1HB   SER  73          2HB       SER  73  28.674  -3.415  -3.415
  572   2HB   SER  73          3HB       SER  73  29.523  -3.330  -3.330
  573    HG   SER  73           HG       SER  73  30.794  -4.614  -4.614
  574    HA   PRO  74           HA       PRO  74  32.979   0.436   0.436
  575   1HB   PRO  74          2HB       PRO  74  35.125  -0.236  -0.236
  576   2HB   PRO  74          3HB       PRO  74  34.080   1.127   1.127
  577   1HG   PRO  74          2HG       PRO  74  34.202  -1.503  -1.503
  578   2HG   PRO  74          3HG       PRO  74  33.494  -0.008  -0.008
  579   1HD   PRO  74          2HD       PRO  74  32.091  -2.277  -2.277
  580   2HD   PRO  74          3HD       PRO  74  31.394  -0.739  -0.739
  581    H    ARG  75           HN       ARG  75  32.075  -1.572  -1.572
  582    HA   ARG  75           HA       ARG  75  34.575  -2.816  -2.816
  583   1HB   ARG  75          2HB       ARG  75  31.916  -4.302  -4.302
  584   2HB   ARG  75          3HB       ARG  75  33.374  -5.000  -5.000
  585   1HG   ARG  75          2HG       ARG  75  33.559  -3.727  -3.727
  586   2HG   ARG  75          3HG       ARG  75  32.751  -5.277  -5.277
  587   1HD   ARG  75          2HD       ARG  75  35.256  -5.273  -5.273
  588   2HD   ARG  75          3HD       ARG  75  35.544  -4.831  -4.831
  589    HE   ARG  75           HE       ARG  75  33.798  -7.051  -7.051
  590   1HH1  ARG  75          2HH2      ARG  75  37.061  -6.353  -6.353
  591   2HH1  ARG  75          1HH2      ARG  75  37.628  -7.971  -7.971
  592   1HH2  ARG  75          2HH1      ARG  75  34.545  -9.186  -9.186
  593   2HH2  ARG  75          1HH1      ARG  75  36.187  -9.593  -9.593
  594    H    SER  76           HN       SER  76  31.027  -2.726  -2.726
  595    HA   SER  76           HA       SER  76  31.874  -1.982  -1.982
  596   1HB   SER  76          2HB       SER  76  29.431  -3.668  -3.668
  597   2HB   SER  76          3HB       SER  76  30.003  -3.278  -3.278
  598    HG   SER  76           HG       SER  76  31.333  -4.943  -4.943
  599    H    THR  77           HN       THR  77  31.355   0.172   0.172
  600    HA   THR  77           HA       THR  77  28.931   1.131   1.131
  601    HB   THR  77           HB       THR  77  29.982   3.317   3.317
  602    HG1  THR  77           HG1      THR  77  31.650   3.563   3.563
  603   1HG2  THR  77          3HG2      THR  77  32.134   1.195   1.195
  604   2HG2  THR  77          1HG2      THR  77  32.335   2.931   2.931
  605   3HG2  THR  77          2HG2      THR  77  31.127   1.984   1.984
  606    H    PHE  78           HN       PHE  78  27.720   2.912   2.912
  607    HA   PHE  78           HA       PHE  78  27.634   2.263   2.263
  608   1HB   PHE  78          2HB       PHE  78  25.210   2.376   2.376
  609   2HB   PHE  78          3HB       PHE  78  25.164   1.952   1.952
  610    HD1  PHE  78           HD2      PHE  78  26.580   0.818   0.818
  611    HD2  PHE  78           HD1      PHE  78  25.305  -0.281  -0.281
  612    HE1  PHE  78           HE2      PHE  78  26.848  -1.605  -1.605
  613    HE2  PHE  78           HE1      PHE  78  25.573  -2.705  -2.705
  614   1HZ   PHE  78           HZ       PHE  78  26.341  -3.338  -3.338
  615    H    SER  79           HN       SER  79  27.009   3.999   3.999
  616    HA   SER  79           HA       SER  79  27.163   6.523   6.523
  617   1HB   SER  79          2HB       SER  79  26.820   5.519   5.519
  618   2HB   SER  79          3HB       SER  79  26.491   7.208   7.208
  619    HG   SER  79           HG       SER  79  28.964   5.767   5.767
  620    H    THR  80           HN       THR  80  24.596   4.308   4.308
  621    HA   THR  80           HA       THR  80  22.633   6.335   6.335
  622    HB   THR  80           HB       THR  80  21.167   5.199   5.199
  623    HG1  THR  80           HG1      THR  80  22.372   3.862   3.862
  624   1HG2  THR  80          2HG2      THR  80  22.470   7.528   7.528
  625   2HG2  THR  80          3HG2      THR  80  23.552   6.631   6.631
  626   3HG2  THR  80          1HG2      THR  80  21.826   6.801   6.801
  627    H    LEU  81           HN       LEU  81  20.632   5.444   5.444
  628    HA   LEU  81           HA       LEU  81  21.233   3.133   3.133
  629   1HB   LEU  81          2HB       LEU  81  19.114   5.222   5.222
  630   2HB   LEU  81          3HB       LEU  81  18.719   3.695   3.695
  631    HG   LEU  81           HG       LEU  81  21.174   5.265   5.265
  632   1HD1  LEU  81          1HD1      LEU  81  18.575   6.244   6.244
  633   2HD1  LEU  81          2HD1      LEU  81  18.947   5.562   5.562
  634   3HD1  LEU  81          3HD1      LEU  81  20.017   6.793   6.793
  635   1HD2  LEU  81          3HD2      LEU  81  19.604   2.987   2.987
  636   2HD2  LEU  81          1HD2      LEU  81  21.353   3.125   3.125
  637   3HD2  LEU  81          2HD2      LEU  81  20.603   4.038   4.038
  638    H    GLN  82           HN       GLN  82  19.611   3.868   3.868
  639    HA   GLN  82           HA       GLN  82  17.888   1.654   1.654
  640   1HB   GLN  82          2HB       GLN  82  17.553   3.652   3.652
  641   2HB   GLN  82          3HB       GLN  82  19.000   3.254   3.254
  642   1HG   GLN  82          2HG       GLN  82  17.265   2.341   2.341
  643   2HG   GLN  82          3HG       GLN  82  17.876   0.948   0.948
  644   1HE2  GLN  82          2HE2      GLN  82  14.700   0.114   0.114
  645   2HE2  GLN  82          1HE2      GLN  82  16.213  -0.323  -0.323
  646    H    GLU  83           HN       GLU  83  21.305   2.139   2.139
  647    HA   GLU  83           HA       GLU  83  21.480  -0.318  -0.318
  648   1HB   GLU  83          2HB       GLU  83  23.537   1.711   1.711
  649   2HB   GLU  83          3HB       GLU  83  24.000   0.227   0.227
  650   1HG   GLU  83          2HG       GLU  83  21.893   1.986   1.986
  651   2HG   GLU  83          3HG       GLU  83  23.575   2.462   2.462
  652    H    LEU  84           HN       LEU  84  21.636   0.769   0.769
  653    HA   LEU  84           HA       LEU  84  23.187  -1.509  -1.509
  654   1HB   LEU  84          2HB       LEU  84  23.601   0.551   0.551
  655   2HB   LEU  84          3HB       LEU  84  21.896   0.823   0.823
  656    HG   LEU  84           HG       LEU  84  23.210  -1.600  -1.600
  657   1HD1  LEU  84          3HD1      LEU  84  24.084   1.099   1.099
  658   2HD1  LEU  84          1HD1      LEU  84  23.332   0.420   0.420
  659   3HD1  LEU  84          2HD1      LEU  84  24.684  -0.433  -0.433
  660   1HD2  LEU  84          1HD2      LEU  84  20.885   0.186   0.186
  661   2HD2  LEU  84          2HD2      LEU  84  20.887  -1.554  -1.554
  662   3HD2  LEU  84          3HD2      LEU  84  21.586  -0.974  -0.974
  663    H    VAL  85           HN       VAL  85  19.813  -0.499  -0.499
  664    HA   VAL  85           HA       VAL  85  18.772  -2.523  -2.523
  665    HB   VAL  85           HB       VAL  85  17.673  -0.566  -0.566
  666   1HG1  VAL  85          3HG1      VAL  85  16.333  -3.033  -3.033
  667   2HG1  VAL  85          1HG1      VAL  85  15.378  -1.534  -1.534
  668   3HG1  VAL  85          2HG1      VAL  85  16.147  -2.195  -2.195
  669   1HG2  VAL  85          3HG2      VAL  85  18.221   0.221   0.221
  670   2HG2  VAL  85          1HG2      VAL  85  16.466   0.273   0.273
  671   3HG2  VAL  85          2HG2      VAL  85  17.166  -1.030  -1.030
  672    H    ASP  86           HN       ASP  86  19.628  -2.210  -2.210
  673    HA   ASP  86           HA       ASP  86  18.272  -4.543  -4.543
  674   1HB   ASP  86          2HB       ASP  86  20.505  -2.874  -2.874
  675   2HB   ASP  86          3HB       ASP  86  19.968  -4.348  -4.348
  676    H    HIS  87           HN       HIS  87  21.626  -3.681  -3.681
  677    HA   HIS  87           HA       HIS  87  22.798  -6.141  -6.141
  678   1HB   HIS  87          2HB       HIS  87  23.975  -3.977  -3.977
  679   2HB   HIS  87          3HB       HIS  87  23.602  -4.145  -4.145
  680    HD1  HIS  87           HD1      HIS  87  25.844  -5.488  -5.488
  681    HD2  HIS  87           HD2      HIS  87  25.094  -6.138  -6.138
  682    HE1  HIS  87           HE1      HIS  87  27.771  -6.922  -6.922
  683    H    TYR  88           HN       TYR  88  20.870  -4.960  -4.960
  684    HA   TYR  88           HA       TYR  88  21.535  -7.167  -7.167
  685   1HB   TYR  88          2HB       TYR  88  19.498  -4.887  -4.887
  686   2HB   TYR  88          3HB       TYR  88  19.298  -6.114  -6.114
  687    HD1  TYR  88           HD2      TYR  88  22.660  -5.063  -5.063
  688    HD2  TYR  88           HD1      TYR  88  19.554  -4.506  -4.506
  689    HE1  TYR  88           HE2      TYR  88  24.279  -3.812  -3.812
  690    HE2  TYR  88           HE1      TYR  88  21.184  -3.257  -3.257
  691    HH   TYR  88           HH       TYR  88  24.435  -2.490  -2.490
  692    H    LYS  89           HN       LYS  89  19.154  -6.492  -6.492
  693    HA   LYS  89           HA       LYS  89  17.361  -8.554  -8.554
  694   1HB   LYS  89          2HB       LYS  89  17.639  -6.752  -6.752
  695   2HB   LYS  89          3HB       LYS  89  16.546  -8.121  -8.121
  696   1HG   LYS  89          2HG       LYS  89  15.734  -7.177  -7.177
  697   2HG   LYS  89          3HG       LYS  89  16.435  -5.681  -5.681
  698   1HD   LYS  89          2HD       LYS  89  14.703  -7.110  -7.110
  699   2HD   LYS  89          3HD       LYS  89  13.865  -6.513  -6.513
  700   1HE   LYS  89          2HE       LYS  89  13.795  -4.498  -4.498
  701   2HE   LYS  89          3HE       LYS  89  15.497  -4.351  -4.351
  702   1HZ   LYS  89          2HZ       LYS  89  14.876  -5.906  -5.906
  703   2HZ   LYS  89          3HZ       LYS  89  14.578  -4.305  -4.305
  704   3HZ   LYS  89          1HZ       LYS  89  16.081  -4.832  -4.832
  705    H    LYS  90           HN       LYS  90  20.386  -8.373  -8.373
  706    HA   LYS  90           HA       LYS  90  19.940 -10.899 -10.899
  707   1HB   LYS  90          2HB       LYS  90  22.072  -8.793  -8.793
  708   2HB   LYS  90          3HB       LYS  90  22.491 -10.414 -10.414
  709   1HG   LYS  90          2HG       LYS  90  20.050  -9.967  -9.967
  710   2HG   LYS  90          3HG       LYS  90  20.810  -8.389  -8.389
  711   1HD   LYS  90          2HD       LYS  90  22.417  -9.071  -9.071
  712   2HD   LYS  90          3HD       LYS  90  22.691 -10.582 -10.582
  713   1HE   LYS  90          2HE       LYS  90  20.881 -11.680 -11.680
  714   2HE   LYS  90          3HE       LYS  90  20.153 -10.168 -10.168
  715   1HZ   LYS  90          1HZ       LYS  90  22.814 -10.968 -10.968
  716   2HZ   LYS  90          2HZ       LYS  90  21.456 -11.425 -11.425
  717   3HZ   LYS  90          3HZ       LYS  90  21.822  -9.840  -9.840
  718    H    GLY  91           HN       GLY  91  21.349  -9.608  -9.608
  719   1HA   GLY  91          1HA       GLY  91  21.463 -12.094 -12.094
  720   2HA   GLY  91          2HA       GLY  91  23.060 -11.766 -11.766
  721    H    ASN  92           HN       ASN  92  22.369 -11.927 -11.927
  722    HA   ASN  92           HA       ASN  92  21.923  -9.464  -9.464
  723   1HB   ASN  92          2HB       ASN  92  23.206 -10.531 -10.531
  724   2HB   ASN  92          3HB       ASN  92  21.773 -11.367 -11.367
  725   1HD2  ASN  92          2HD2      ASN  92  25.102 -13.406 -13.406
  726   2HD2  ASN  92          1HD2      ASN  92  24.578 -12.012 -12.012
  727    H    ASP  93           HN       ASP  93  25.001 -11.251 -11.251
  728    HA   ASP  93           HA       ASP  93  27.094 -10.634 -10.634
  729   1HB   ASP  93          2HB       ASP  93  26.024  -9.453  -9.453
  730   2HB   ASP  93          3HB       ASP  93  26.100  -7.975  -7.975
  731    H    GLY  94           HN       GLY  94  26.376 -10.331 -10.331
  732   1HA   GLY  94          1HA       GLY  94  27.845  -9.002  -9.002
  733   2HA   GLY  94          2HA       GLY  94  27.124  -7.581  -7.581
  734    H    LEU  95           HN       LEU  95  24.414  -8.345  -8.345
  735    HA   LEU  95           HA       LEU  95  23.501  -7.872  -7.872
  736   1HB   LEU  95          2HB       LEU  95  22.028  -8.803  -8.803
  737   2HB   LEU  95          3HB       LEU  95  21.269  -8.231  -8.231
  738    HG   LEU  95           HG       LEU  95  23.052  -6.607  -6.607
  739   1HD1  LEU  95          1HD1      LEU  95  20.139  -7.042  -7.042
  740   2HD1  LEU  95          2HD1      LEU  95  20.645  -5.339  -5.339
  741   3HD1  LEU  95          3HD1      LEU  95  21.157  -6.498  -6.498
  742   1HD2  LEU  95          3HD2      LEU  95  21.618  -5.789  -5.789
  743   2HD2  LEU  95          1HD2      LEU  95  23.377  -5.893  -5.893
  744   3HD2  LEU  95          2HD2      LEU  95  22.423  -4.679  -4.679
  745    H    CYS  96           HN       CYS  96  21.444  -9.473  -9.473
  746    HA   CYS  96           HA       CYS  96  22.837 -11.895 -11.895
  747   1HB   CYS  96          2HB       CYS  96  20.891 -12.281 -12.281
  748   2HB   CYS  96          3HB       CYS  96  21.691 -10.748 -10.748
  749    HG   CYS  96           HG       CYS  96  18.756 -11.243 -11.243
  750    H    GLN  97           HN       GLN  97  19.936 -10.752 -10.752
  751    HA   GLN  97           HA       GLN  97  19.985 -13.276 -13.276
  752   1HB   GLN  97          2HB       GLN  97  17.466 -12.100 -12.100
  753   2HB   GLN  97          3HB       GLN  97  17.489 -13.463 -13.463
  754   1HG   GLN  97          2HG       GLN  97  19.248 -14.462 -14.462
  755   2HG   GLN  97          3HG       GLN  97  18.533 -13.302 -13.302
  756   1HE2  GLN  97          2HE2      GLN  97  15.321 -14.810 -14.810
  757   2HE2  GLN  97          1HE2      GLN  97  16.187 -13.312 -13.312
  758    H    LYS  98           HN       LYS  98  19.520 -13.061 -13.061
  759    HA   LYS  98           HA       LYS  98  19.761 -10.572 -10.572
  760   1HB   LYS  98          2HB       LYS  98  19.193 -11.679 -11.679
  761   2HB   LYS  98          3HB       LYS  98  20.252 -12.696 -12.696
  762   1HG   LYS  98          2HG       LYS  98  17.735 -13.499 -13.499
  763   2HG   LYS  98          3HG       LYS  98  17.431 -13.144 -13.144
  764   1HD   LYS  98          2HD       LYS  98  19.774 -14.531 -14.531
  765   2HD   LYS  98          3HD       LYS  98  19.161 -15.269 -15.269
  766   1HE   LYS  98          2HE       LYS  98  17.167 -16.044 -16.044
  767   2HE   LYS  98          3HE       LYS  98  17.362 -14.946 -14.946
  768   1HZ   LYS  98          3HZ       LYS  98  19.421 -16.203 -16.203
  769   2HZ   LYS  98          1HZ       LYS  98  18.995 -17.305 -17.305
  770   3HZ   LYS  98          2HZ       LYS  98  18.043 -17.061 -17.061
  771    H    LEU  99           HN       LEU  99  18.132  -9.422  -9.422
  772    HA   LEU  99           HA       LEU  99  15.744  -9.033  -9.033
  773   1HB   LEU  99          2HB       LEU  99  17.019  -7.593  -7.593
  774   2HB   LEU  99          3HB       LEU  99  15.405  -7.199  -7.199
  775    HG   LEU  99           HG       LEU  99  18.009  -6.927  -6.927
  776   1HD1  LEU  99          3HD1      LEU  99  17.215  -5.163  -5.163
  777   2HD1  LEU  99          1HD1      LEU  99  15.909  -4.818  -4.818
  778   3HD1  LEU  99          2HD1      LEU  99  17.609  -4.612  -4.612
  779   1HD2  LEU  99          1HD2      LEU  99  15.245  -7.197  -7.197
  780   2HD2  LEU  99          2HD2      LEU  99  16.812  -7.572  -7.572
  781   3HD2  LEU  99          3HD2      LEU  99  16.238  -5.889  -5.889
  782    H    SER 100           HN       SER 100  13.626  -9.451  -9.451
  783    HA   SER 100           HA       SER 100  13.489 -11.260 -11.260
  784   1HB   SER 100          2HB       SER 100  11.328 -11.991 -11.991
  785   2HB   SER 100          3HB       SER 100  12.652 -12.157 -12.157
  786    HG   SER 100           HG       SER 100  10.428 -10.994 -10.994
  787    H    VAL 101           HN       VAL 101  11.049  -9.057  -9.057
  788    HA   VAL 101           HA       VAL 101  10.818  -7.617  -7.617
  789    HB   VAL 101           HB       VAL 101   8.352  -7.853  -7.853
  790   1HG1  VAL 101          2HG1      VAL 101   9.895  -9.271  -9.271
  791   2HG1  VAL 101          3HG1      VAL 101   9.680 -10.565 -10.565
  792   3HG1  VAL 101          1HG1      VAL 101   8.275  -9.940  -9.940
  793   1HG2  VAL 101          2HG2      VAL 101   9.042  -9.646  -9.646
  794   2HG2  VAL 101          3HG2      VAL 101   7.720  -8.467  -8.467
  795   3HG2  VAL 101          1HG2      VAL 101   7.631 -10.033 -10.033
  796    HA   PRO 102           HA       PRO 102  10.321  -4.319  -4.319
  797   1HB   PRO 102          2HB       PRO 102   9.099  -2.458  -2.458
  798   2HB   PRO 102          3HB       PRO 102  10.821  -2.779  -2.779
  799   1HG   PRO 102          2HG       PRO 102   8.726  -3.582  -3.582
  800   2HG   PRO 102          3HG       PRO 102  10.462  -3.515  -3.515
  801   1HD   PRO 102          2HD       PRO 102   8.877  -5.867  -5.867
  802   2HD   PRO 102          3HD       PRO 102  10.624  -5.787  -5.787
  803    H    CYS 103           HN       CYS 103   8.991  -3.264  -3.264
  804    HA   CYS 103           HA       CYS 103   6.819  -4.611  -4.611
  805   1HB   CYS 103          2HB       CYS 103   8.023  -2.615  -2.615
  806   2HB   CYS 103          3HB       CYS 103   6.907  -1.596  -1.596
  807    HG   CYS 103           HG       CYS 103   4.751  -2.348  -2.348
  808    H    MET 104           HN       MET 104   4.462  -4.263  -4.263
  809    HA   MET 104           HA       MET 104   3.844  -3.618  -3.618
  810   1HB   MET 104          2HB       MET 104   2.273  -4.743  -4.743
  811   2HB   MET 104          3HB       MET 104   1.489  -4.386  -4.386
  812   1HG   MET 104          2HG       MET 104   3.995  -6.065  -6.065
  813   2HG   MET 104          3HG       MET 104   2.530  -6.818  -6.818
  814   1HE   MET 104          2HE       MET 104   4.512  -5.302  -5.302
  815   2HE   MET 104          3HE       MET 104   4.283  -6.756  -6.756
  816   3HE   MET 104          1HE       MET 104   3.581  -5.204  -5.204
  817    H    SER 105           HN       SER 105   2.578  -1.886  -1.886
  818    HA   SER 105           HA       SER 105   1.870   0.022   0.022
  819   1HB   SER 105          2HB       SER 105   3.712   0.473   0.473
  820   2HB   SER 105          3HB       SER 105   2.283   0.933   0.933
  821    HG   SER 105           HG       SER 105   1.754   2.471   2.471
  822    H    SER 106           HN       SER 106  -0.331  -0.118  -0.118
  823    HA   SER 106           HA       SER 106  -1.937  -0.155  -0.155
  824   1HB   SER 106          2HB       SER 106  -1.871  -2.362  -2.362
  825   2HB   SER 106          3HB       SER 106  -2.783  -1.504  -1.504
  826    HG   SER 106           HG       SER 106  -4.459  -1.103  -1.103
  827    H    LYS 107           HN       LYS 107  -3.786   1.219   1.219
  828    HA   LYS 107           HA       LYS 107  -4.055   2.848   2.848
  829   1HB   LYS 107          2HB       LYS 107  -4.058   3.714   3.714
  830   2HB   LYS 107          3HB       LYS 107  -4.690   4.714   4.714
  831   1HG   LYS 107          2HG       LYS 107  -2.594   5.401   5.401
  832   2HG   LYS 107          3HG       LYS 107  -2.132   3.751   3.751
  833   1HD   LYS 107          2HD       LYS 107  -0.636   4.183   4.183
  834   2HD   LYS 107          3HD       LYS 107  -1.968   3.539   3.539
  835   1HE   LYS 107          2HE       LYS 107  -1.760   5.486   5.486
  836   2HE   LYS 107          3HE       LYS 107  -2.710   6.177   6.177
  837   1HZ   LYS 107          1HZ       LYS 107  -0.280   6.317   6.317
  838   2HZ   LYS 107          2HZ       LYS 107   0.088   6.479   6.479
  839   3HZ   LYS 107          3HZ       LYS 107  -0.953   7.520   7.520

  Start of MODEL    4
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.660  -0.919  -0.919
    3   1HB   MET   1          2HB       MET   1   0.182   0.535   0.535
    4   2HB   MET   1          3HB       MET   1   1.534   0.595   0.595
    5   1HG   MET   1          2HG       MET   1   1.318  -1.613  -1.613
    6   2HG   MET   1          3HG       MET   1   1.102  -2.118  -2.118
    7   1HE   MET   1          2HE       MET   1  -0.429  -3.766  -3.766
    8   2HE   MET   1          3HE       MET   1  -2.018  -3.254  -3.254
    9   3HE   MET   1          1HE       MET   1  -0.529  -2.643  -2.643
   10    H    GLU   2           HN       GLU   2   3.968   0.641   0.641
   11    HA   GLU   2           HA       GLU   2   5.419   2.327   2.327
   12   1HB   GLU   2          2HB       GLU   2   4.826   4.539   4.539
   13   2HB   GLU   2          3HB       GLU   2   3.717   3.974   3.974
   14   1HG   GLU   2          2HG       GLU   2   2.498   2.759   2.759
   15   2HG   GLU   2          3HG       GLU   2   3.389   3.890   3.890
   16    H    THR   3           HN       THR   3   7.391   1.941   1.941
   17    HA   THR   3           HA       THR   3   7.633   2.270   2.270
   18    HB   THR   3           HB       THR   3   9.205   0.163   0.163
   19    HG1  THR   3           HG1      THR   3   8.192  -1.181  -1.181
   20   1HG2  THR   3          3HG2      THR   3   6.793   0.252   0.252
   21   2HG2  THR   3          1HG2      THR   3   6.265  -0.449  -0.449
   22   3HG2  THR   3          2HG2      THR   3   7.417  -1.333  -1.333
   23    H    GLU   4           HN       GLU   4   9.157   3.712   3.712
   24    HA   GLU   4           HA       GLU   4  11.662   3.635   3.635
   25   1HB   GLU   4          2HB       GLU   4   9.658   5.503   5.503
   26   2HB   GLU   4          3HB       GLU   4  11.249   6.173   6.173
   27   1HG   GLU   4          2HG       GLU   4  12.020   5.154   5.154
   28   2HG   GLU   4          3HG       GLU   4  11.698   3.594   3.594
   29    H    GLU   5           HN       GLU   5  12.659   3.901   3.901
   30    HA   GLU   5           HA       GLU   5  11.849   6.274   6.274
   31   1HB   GLU   5          2HB       GLU   5  12.633   3.508   3.508
   32   2HB   GLU   5          3HB       GLU   5  12.855   4.894   4.894
   33   1HG   GLU   5          2HG       GLU   5  10.458   5.465   5.465
   34   2HG   GLU   5          3HG       GLU   5  10.203   4.185   4.185
   35    H    TRP   6           HN       TRP   6  13.662   6.646   6.646
   36    HA   TRP   6           HA       TRP   6  16.333   6.276   6.276
   37   1HB   TRP   6          2HB       TRP   6  16.899   7.564   7.564
   38   2HB   TRP   6          3HB       TRP   6  16.250   5.943   5.943
   39    HD1  TRP   6           HD1      TRP   6  14.068   5.702   5.702
   40    HE1  TRP   6           HE1      TRP   6  12.404   7.297   7.297
   41    HE3  TRP   6           HE3      TRP   6  15.887  10.033  10.033
   42    HZ2  TRP   6           HZ2      TRP   6  12.043  10.127  10.127
   43    HZ3  TRP   6           HZ3      TRP   6  14.822  12.168  12.168
   44    HH2  TRP   6           HH2      TRP   6  12.964  12.260  12.260
   45    H    PHE   7           HN       PHE   7  13.708   8.503   8.503
   46    HA   PHE   7           HA       PHE   7  15.520  10.711  10.711
   47   1HB   PHE   7          2HB       PHE   7  13.688  11.272  11.272
   48   2HB   PHE   7          3HB       PHE   7  12.538  10.331  10.331
   49    HD1  PHE   7           HD1      PHE   7  14.928  13.088  13.088
   50    HD2  PHE   7           HD2      PHE   7  10.934  11.659  11.659
   51    HE1  PHE   7           HE1      PHE   7  14.227  15.161  15.161
   52    HE2  PHE   7           HE2      PHE   7  10.234  13.732  13.732
   53   1HZ   PHE   7           HZ       PHE   7  11.888  15.458  15.458
   54    H    PHE   8           HN       PHE   8  15.676  11.607  11.607
   55    HA   PHE   8           HA       PHE   8  13.992  10.354  10.354
   56   1HB   PHE   8          2HB       PHE   8  16.986  10.730  10.730
   57   2HB   PHE   8          3HB       PHE   8  16.340  10.932  10.932
   58    HD1  PHE   8           HD2      PHE   8  15.872   8.517   8.517
   59    HD2  PHE   8           HD1      PHE   8  16.509   9.075   9.075
   60    HE1  PHE   8           HE2      PHE   8  15.913   6.029   6.029
   61    HE2  PHE   8           HE1      PHE   8  16.549   6.587   6.587
   62   1HZ   PHE   8           HZ       PHE   8  16.251   5.094   5.094
   63    H    LYS   9           HN       LYS   9  13.918  11.679  11.679
   64    HA   LYS   9           HA       LYS   9  13.156  14.293  14.293
   65   1HB   LYS   9          2HB       LYS   9  13.468  12.632  12.632
   66   2HB   LYS   9          3HB       LYS   9  13.437  14.368  14.368
   67   1HG   LYS   9          2HG       LYS   9  11.148  13.756  13.756
   68   2HG   LYS   9          3HG       LYS   9  11.329  14.373  14.373
   69   1HD   LYS   9          2HD       LYS   9  11.249  12.221  12.221
   70   2HD   LYS   9          3HD       LYS   9  11.764  11.420  11.420
   71   1HE   LYS   9          2HE       LYS   9   9.401  12.599  12.599
   72   2HE   LYS   9          3HE       LYS   9   9.031  12.256  12.256
   73   1HZ   LYS   9          3HZ       LYS   9  10.037   9.978   9.978
   74   2HZ   LYS   9          1HZ       LYS   9   9.723  10.390  10.390
   75   3HZ   LYS   9          2HZ       LYS   9   8.507  10.312  10.312
   76    H    GLY  10           HN       GLY  10  14.212  16.028  16.028
   77   1HA   GLY  10          1HA       GLY  10  16.699  16.715  16.715
   78   2HA   GLY  10          2HA       GLY  10  15.881  17.549  17.549
   79    H    ILE  11           HN       ILE  11  17.654  14.439  14.439
   80    HA   ILE  11           HA       ILE  11  18.424  14.274  14.274
   81    HB   ILE  11           HB       ILE  11  17.883  12.406  12.406
   82   1HG1  ILE  11          2HG1      ILE  11  19.822  12.359  12.359
   83   2HG1  ILE  11          3HG1      ILE  11  18.167  11.789  11.789
   84   1HG2  ILE  11          3HG2      ILE  11  19.641  12.997  12.997
   85   2HG2  ILE  11          1HG2      ILE  11  20.877  12.761  12.761
   86   3HG2  ILE  11          2HG2      ILE  11  19.925  11.375  11.375
   87   1HD1  ILE  11          2HD1      ILE  11  18.957  10.051  10.051
   88   2HD1  ILE  11          3HD1      ILE  11  20.616  10.525  10.525
   89   3HD1  ILE  11          1HD1      ILE  11  19.539   9.822   9.822
   90    H    SER  12           HN       SER  12  20.671  14.255  14.255
   91    HA   SER  12           HA       SER  12  22.078  16.409  16.409
   92   1HB   SER  12          2HB       SER  12  23.492  16.296  16.296
   93   2HB   SER  12          3HB       SER  12  21.925  15.791  15.791
   94    HG   SER  12           HG       SER  12  23.909  14.445  14.445
   95    H    ARG  13           HN       ARG  13  24.433  16.264  16.264
   96    HA   ARG  13           HA       ARG  13  24.737  14.246  14.246
   97   1HB   ARG  13          2HB       ARG  13  25.763  16.493  16.493
   98   2HB   ARG  13          3HB       ARG  13  26.769  16.214  16.214
   99   1HG   ARG  13          2HG       ARG  13  27.047  14.049  14.049
  100   2HG   ARG  13          3HG       ARG  13  27.424  15.611  15.611
  101   1HD   ARG  13          2HD       ARG  13  28.587  14.803  14.803
  102   2HD   ARG  13          3HD       ARG  13  29.342  14.277  14.277
  103    HE   ARG  13           HE       ARG  13  28.785  17.165  17.165
  104   1HH1  ARG  13          2HH2      ARG  13  31.125  14.615  14.615
  105   2HH1  ARG  13          1HH2      ARG  13  32.488  15.683  15.683
  106   1HH2  ARG  13          2HH1      ARG  13  30.582  18.576  18.576
  107   2HH2  ARG  13          1HH1      ARG  13  32.177  17.952  17.952
  108    H    LYS  14           HN       LYS  14  25.562  14.529  14.529
  109    HA   LYS  14           HA       LYS  14  27.611  12.520  12.520
  110   1HB   LYS  14          2HB       LYS  14  26.357  14.279  14.279
  111   2HB   LYS  14          3HB       LYS  14  27.057  12.775  12.775
  112   1HG   LYS  14          2HG       LYS  14  28.831  14.072  14.072
  113   2HG   LYS  14          3HG       LYS  14  28.439  15.171  15.171
  114   1HD   LYS  14          2HD       LYS  14  29.715  14.013  14.013
  115   2HD   LYS  14          3HD       LYS  14  28.999  12.481  12.481
  116   1HE   LYS  14          2HE       LYS  14  30.584  12.097  12.097
  117   2HE   LYS  14          3HE       LYS  14  30.986  13.796  13.796
  118   1HZ   LYS  14          3HZ       LYS  14  31.629  12.137  12.137
  119   2HZ   LYS  14          1HZ       LYS  14  32.682  12.538  12.538
  120   3HZ   LYS  14          2HZ       LYS  14  32.060  13.697  13.697
  121    H    ASP  15           HN       ASP  15  24.106  12.756  12.756
  122    HA   ASP  15           HA       ASP  15  23.943  10.154  10.154
  123   1HB   ASP  15          2HB       ASP  15  22.004  12.244  12.244
  124   2HB   ASP  15          3HB       ASP  15  21.407  10.608  10.608
  125    H    ALA  16           HN       ALA  16  23.933  11.649  11.649
  126    HA   ALA  16           HA       ALA  16  22.721   9.413   9.413
  127   1HB   ALA  16          3HB       ALA  16  23.626  12.133  12.133
  128   2HB   ALA  16          1HB       ALA  16  24.043  10.967  10.967
  129   3HB   ALA  16          2HB       ALA  16  22.350  11.155  11.155
  130    H    GLU  17           HN       GLU  17  25.942  10.426  10.426
  131    HA   GLU  17           HA       GLU  17  27.257   8.674   8.674
  132   1HB   GLU  17          2HB       GLU  17  28.070  10.547  10.547
  133   2HB   GLU  17          3HB       GLU  17  29.195   9.269   9.269
  134   1HG   GLU  17          2HG       GLU  17  28.560  10.124  10.124
  135   2HG   GLU  17          3HG       GLU  17  28.301  11.617  11.617
  136    H    ARG  18           HN       ARG  18  25.752   8.459   8.459
  137    HA   ARG  18           HA       ARG  18  27.281   6.173   6.173
  138   1HB   ARG  18          2HB       ARG  18  25.281   7.971   7.971
  139   2HB   ARG  18          3HB       ARG  18  25.032   6.294   6.294
  140   1HG   ARG  18          2HG       ARG  18  27.045   6.143   6.143
  141   2HG   ARG  18          3HG       ARG  18  27.867   7.267   7.267
  142   1HD   ARG  18          2HD       ARG  18  27.159   9.140   9.140
  143   2HD   ARG  18          3HD       ARG  18  25.640   8.406   8.406
  144    HE   ARG  18           HE       ARG  18  27.969   7.111   7.111
  145   1HH1  ARG  18          1HH2      ARG  18  25.834   9.871   9.871
  146   2HH1  ARG  18          2HH2      ARG  18  25.638   9.729   9.729
  147   1HH2  ARG  18          2HH1      ARG  18  28.229   7.298   7.298
  148   2HH2  ARG  18          1HH1      ARG  18  27.318   8.479   8.479
  149    H    GLN  19           HN       GLN  19  24.267   6.953   6.953
  150    HA   GLN  19           HA       GLN  19  23.138   4.371   4.371
  151   1HB   GLN  19          2HB       GLN  19  22.395   6.793   6.793
  152   2HB   GLN  19          3HB       GLN  19  21.535   5.279   5.279
  153   1HG   GLN  19          2HG       GLN  19  21.532   5.511   5.511
  154   2HG   GLN  19          3HG       GLN  19  21.504   7.201   7.201
  155   1HE2  GLN  19          2HE2      GLN  19  18.136   7.258   7.258
  156   2HE2  GLN  19          1HE2      GLN  19  19.601   8.060   8.060
  157    H    LEU  20           HN       LEU  20  25.257   5.979   5.979
  158    HA   LEU  20           HA       LEU  20  24.857   3.973   3.973
  159   1HB   LEU  20          2HB       LEU  20  26.527   6.435   6.435
  160   2HB   LEU  20          3HB       LEU  20  26.967   5.255   5.255
  161    HG   LEU  20           HG       LEU  20  24.219   6.513   6.513
  162   1HD1  LEU  20          1HD1      LEU  20  25.947   8.239   8.239
  163   2HD1  LEU  20          2HD1      LEU  20  26.520   7.345   7.345
  164   3HD1  LEU  20          3HD1      LEU  20  24.878   8.032   8.032
  165   1HD2  LEU  20          2HD2      LEU  20  24.831   4.245   4.245
  166   2HD2  LEU  20          3HD2      LEU  20  23.664   5.422   5.422
  167   3HD2  LEU  20          1HD2      LEU  20  25.336   5.397   5.397
  168    H    LEU  21           HN       LEU  21  27.390   4.874   4.874
  169    HA   LEU  21           HA       LEU  21  29.076   2.717   2.717
  170   1HB   LEU  21          2HB       LEU  21  29.001   4.788   4.788
  171   2HB   LEU  21          3HB       LEU  21  30.002   3.372   3.372
  172    HG   LEU  21           HG       LEU  21  30.221   5.094   5.094
  173   1HD1  LEU  21          1HD1      LEU  21  30.761   5.999   5.999
  174   2HD1  LEU  21          2HD1      LEU  21  32.346   5.417   5.417
  175   3HD1  LEU  21          3HD1      LEU  21  31.457   6.635   6.635
  176   1HD2  LEU  21          1HD2      LEU  21  31.314   2.591   2.591
  177   2HD2  LEU  21          2HD2      LEU  21  31.736   3.630   3.630
  178   3HD2  LEU  21          3HD2      LEU  21  32.639   3.771   3.771
  179    H    ALA  22           HN       ALA  22  26.213   3.072   3.072
  180    HA   ALA  22           HA       ALA  22  26.474   1.225   1.225
  181   1HB   ALA  22          3HB       ALA  22  24.394   2.596   2.596
  182   2HB   ALA  22          1HB       ALA  22  23.941   0.877   0.877
  183   3HB   ALA  22          2HB       ALA  22  24.268   1.631   1.631
  184    HA   PRO  23           HA       PRO  23  26.959  -2.655  -2.655
  185   1HB   PRO  23          2HB       PRO  23  25.684  -4.337  -4.337
  186   2HB   PRO  23          3HB       PRO  23  27.285  -3.691  -3.691
  187   1HG   PRO  23          2HG       PRO  23  24.716  -2.912  -2.912
  188   2HG   PRO  23          3HG       PRO  23  26.346  -2.597  -2.597
  189   1HD   PRO  23          2HD       PRO  23  24.585  -0.733  -0.733
  190   2HD   PRO  23          3HD       PRO  23  26.253  -0.454  -0.454
  191    H    GLY  24           HN       GLY  24  23.921  -1.284  -1.284
  192   1HA   GLY  24          1HA       GLY  24  22.627  -3.458  -3.458
  193   2HA   GLY  24          2HA       GLY  24  21.876  -2.017  -2.017
  194    H    ASN  25           HN       ASN  25  24.890  -1.448  -1.448
  195    HA   ASN  25           HA       ASN  25  23.540  -1.020  -1.020
  196   1HB   ASN  25          2HB       ASN  25  24.663   1.149   1.149
  197   2HB   ASN  25          3HB       ASN  25  24.907   1.322   1.322
  198   1HD2  ASN  25          2HD2      ASN  25  21.277   1.932   1.932
  199   2HD2  ASN  25          1HD2      ASN  25  22.697   1.432   1.432
  200    H    MET  26           HN       MET  26  25.099  -0.950  -0.950
  201    HA   MET  26           HA       MET  26  27.873  -1.273  -1.273
  202   1HB   MET  26          2HB       MET  26  28.088  -3.230  -3.230
  203   2HB   MET  26          3HB       MET  26  26.882  -3.559  -3.559
  204   1HG   MET  26          2HG       MET  26  25.141  -2.653  -2.653
  205   2HG   MET  26          3HG       MET  26  26.422  -2.812  -2.812
  206   1HE   MET  26          3HE       MET  26  26.499  -4.459  -4.459
  207   2HE   MET  26          1HE       MET  26  26.015  -6.163  -6.163
  208   3HE   MET  26          2HE       MET  26  24.774  -4.897  -4.897
  209    H    LEU  27           HN       LEU  27  29.364  -1.165  -1.165
  210    HA   LEU  27           HA       LEU  27  29.147   1.188   1.188
  211   1HB   LEU  27          2HB       LEU  27  30.537  -1.354  -1.354
  212   2HB   LEU  27          3HB       LEU  27  30.384  -0.285  -0.285
  213    HG   LEU  27           HG       LEU  27  31.245   1.321   1.321
  214   1HD1  LEU  27          3HD1      LEU  27  31.957  -1.247  -1.247
  215   2HD1  LEU  27          1HD1      LEU  27  33.390  -0.670  -0.670
  216   3HD1  LEU  27          2HD1      LEU  27  32.806   0.220   0.220
  217   1HD2  LEU  27          2HD2      LEU  27  31.719   1.164   1.164
  218   2HD2  LEU  27          3HD2      LEU  27  32.741   2.080   2.080
  219   3HD2  LEU  27          1HD2      LEU  27  33.225   0.445   0.445
  220    H    GLY  28           HN       GLY  28  28.029   2.128   2.128
  221   1HA   GLY  28          1HA       GLY  28  26.935   1.926   1.926
  222   2HA   GLY  28          2HA       GLY  28  26.323   0.355   0.355
  223    H    SER  29           HN       SER  29  25.725   1.314   1.314
  224    HA   SER  29           HA       SER  29  23.089   2.012   2.012
  225   1HB   SER  29          2HB       SER  29  24.762   2.377   2.377
  226   2HB   SER  29          3HB       SER  29  23.011   2.408   2.408
  227    HG   SER  29           HG       SER  29  24.579   0.146   0.146
  228    H    PHE  30           HN       PHE  30  22.041   3.985   3.985
  229    HA   PHE  30           HA       PHE  30  23.668   6.374   6.374
  230   1HB   PHE  30          2HB       PHE  30  22.931   7.234   7.234
  231   2HB   PHE  30          3HB       PHE  30  23.206   5.541   5.541
  232    HD1  PHE  30           HD1      PHE  30  21.233   3.974   3.974
  233    HD2  PHE  30           HD2      PHE  30  20.779   8.188   8.188
  234    HE1  PHE  30           HE1      PHE  30  18.864   3.757   3.757
  235    HE2  PHE  30           HE2      PHE  30  18.410   7.972   7.972
  236   1HZ   PHE  30           HZ       PHE  30  17.481   5.759   5.759
  237    H    MET  31           HN       MET  31  22.389   8.352   8.352
  238    HA   MET  31           HA       MET  31  19.629   7.869   7.869
  239   1HB   MET  31          2HB       MET  31  19.944   8.704   8.704
  240   2HB   MET  31          3HB       MET  31  20.886   7.250   7.250
  241   1HG   MET  31          2HG       MET  31  22.885   8.348   8.348
  242   2HG   MET  31          3HG       MET  31  22.366   9.721   9.721
  243   1HE   MET  31          1HE       MET  31  21.053   7.774   7.774
  244   2HE   MET  31          2HE       MET  31  21.782   8.559   8.559
  245   3HE   MET  31          3HE       MET  31  20.133   8.995   8.995
  246    H    ILE  32           HN       ILE  32  18.380   9.843   9.843
  247    HA   ILE  32           HA       ILE  32  19.881  12.235  12.235
  248    HB   ILE  32           HB       ILE  32  17.259  11.162  11.162
  249   1HG1  ILE  32          2HG1      ILE  32  19.660  12.143  12.143
  250   2HG1  ILE  32          3HG1      ILE  32  19.508  10.483  10.483
  251   1HG2  ILE  32          3HG2      ILE  32  18.250  13.980  13.980
  252   2HG2  ILE  32          1HG2      ILE  32  17.390  13.423  13.423
  253   3HG2  ILE  32          2HG2      ILE  32  16.596  13.339  13.339
  254   1HD1  ILE  32          2HD1      ILE  32  17.285  11.841  11.841
  255   2HD1  ILE  32          3HD1      ILE  32  18.647  11.027  11.027
  256   3HD1  ILE  32          1HD1      ILE  32  17.554  10.099  10.099
  257    H    ARG  33           HN       ARG  33  19.287  14.197  14.197
  258    HA   ARG  33           HA       ARG  33  17.042  14.181  14.181
  259   1HB   ARG  33          2HB       ARG  33  18.464  14.914  14.914
  260   2HB   ARG  33          3HB       ARG  33  18.629  13.226  13.226
  261   1HG   ARG  33          2HG       ARG  33  20.711  13.727  13.727
  262   2HG   ARG  33          3HG       ARG  33  20.531  15.436  15.436
  263   1HD   ARG  33          2HD       ARG  33  20.581  14.813  14.813
  264   2HD   ARG  33          3HD       ARG  33  21.055  13.200  13.200
  265    HE   ARG  33           HE       ARG  33  23.196  14.008  14.008
  266   1HH1  ARG  33          2HH2      ARG  33  20.960  16.720  16.720
  267   2HH1  ARG  33          1HH2      ARG  33  22.204  17.918  17.918
  268   1HH2  ARG  33          2HH1      ARG  33  24.837  15.588  15.588
  269   2HH2  ARG  33          1HH1      ARG  33  24.424  17.270  17.270
  270    H    ASP  34           HN       ASP  34  16.708  16.435  16.435
  271    HA   ASP  34           HA       ASP  34  17.513  18.350  18.350
  272   1HB   ASP  34          2HB       ASP  34  15.207  18.438  18.438
  273   2HB   ASP  34          3HB       ASP  34  15.650  18.401  18.401
  274    H    SER  35           HN       SER  35  18.338  20.574  20.574
  275    HA   SER  35           HA       SER  35  20.595  20.219  20.219
  276   1HB   SER  35          2HB       SER  35  20.248  21.990  21.990
  277   2HB   SER  35          3HB       SER  35  19.164  22.829  22.829
  278    HG   SER  35           HG       SER  35  20.895  23.758  23.758
  279    H    GLU  36           HN       GLU  36  21.103  21.556  21.556
  280    HA   GLU  36           HA       GLU  36  18.788  21.345  21.345
  281   1HB   GLU  36          2HB       GLU  36  21.772  21.087  21.087
  282   2HB   GLU  36          3HB       GLU  36  20.709  21.451  21.451
  283   1HG   GLU  36          2HG       GLU  36  19.499  19.308  19.308
  284   2HG   GLU  36          3HG       GLU  36  21.188  18.899  18.899
  285    H    THR  37           HN       THR  37  21.731  23.386  23.386
  286    HA   THR  37           HA       THR  37  20.472  25.588  25.588
  287    HB   THR  37           HB       THR  37  22.742  26.609  26.609
  288    HG1  THR  37           HG1      THR  37  24.270  24.990  24.990
  289   1HG2  THR  37          3HG2      THR  37  22.314  24.762  24.762
  290   2HG2  THR  37          1HG2      THR  37  23.181  23.676  23.676
  291   3HG2  THR  37          2HG2      THR  37  24.004  25.105  25.105
  292    H    THR  38           HN       THR  38  21.903  24.975  24.975
  293    HA   THR  38           HA       THR  38  20.636  27.378  27.378
  294    HB   THR  38           HB       THR  38  22.411  25.189  25.189
  295    HG1  THR  38           HG1      THR  38  23.304  26.847  26.847
  296   1HG2  THR  38          2HG2      THR  38  20.674  26.997  26.997
  297   2HG2  THR  38          3HG2      THR  38  22.334  27.629  27.629
  298   3HG2  THR  38          1HG2      THR  38  21.966  25.973  25.973
  299    H    LYS  39           HN       LYS  39  18.445  26.538  26.538
  300    HA   LYS  39           HA       LYS  39  17.222  24.375  24.375
  301   1HB   LYS  39          2HB       LYS  39  16.163  26.990  26.990
  302   2HB   LYS  39          3HB       LYS  39  15.097  25.752  25.752
  303   1HG   LYS  39          2HG       LYS  39  16.754  24.261  24.261
  304   2HG   LYS  39          3HG       LYS  39  16.670  25.781  25.781
  305   1HD   LYS  39          2HD       LYS  39  14.037  24.906  24.906
  306   2HD   LYS  39          3HD       LYS  39  14.750  23.748  23.748
  307   1HE   LYS  39          2HE       LYS  39  14.403  25.101  25.101
  308   2HE   LYS  39          3HE       LYS  39  15.073  26.499  26.499
  309   1HZ   LYS  39          2HZ       LYS  39  12.697  26.029  26.029
  310   2HZ   LYS  39          3HZ       LYS  39  12.373  25.785  25.785
  311   3HZ   LYS  39          1HZ       LYS  39  13.006  27.207  27.207
  312    H    GLY  40           HN       GLY  40  15.951  24.078  24.078
  313   1HA   GLY  40          1HA       GLY  40  14.919  24.930  24.930
  314   2HA   GLY  40          2HA       GLY  40  16.059  26.261  26.261
  315    H    SER  41           HN       SER  41  18.179  24.031  24.031
  316    HA   SER  41           HA       SER  41  18.602  23.164  23.164
  317   1HB   SER  41          2HB       SER  41  20.557  23.890  23.890
  318   2HB   SER  41          3HB       SER  41  21.065  22.980  22.980
  319    HG   SER  41           HG       SER  41  20.221  25.696  25.696
  320    H    TYR  42           HN       TYR  42  19.636  20.994  20.994
  321    HA   TYR  42           HA       TYR  42  18.906  19.224  19.224
  322   1HB   TYR  42          2HB       TYR  42  18.810  19.181  19.181
  323   2HB   TYR  42          3HB       TYR  42  19.093  17.645  17.645
  324    HD1  TYR  42           HD1      TYR  42  16.724  20.546  20.546
  325    HD2  TYR  42           HD2      TYR  42  17.278  16.367  16.367
  326    HE1  TYR  42           HE1      TYR  42  14.225  20.273  20.273
  327    HE2  TYR  42           HE2      TYR  42  14.777  16.108  16.108
  328    HH   TYR  42           HH       TYR  42  12.567  18.526  18.526
  329    H    SER  43           HN       SER  43  20.236  17.194  17.194
  330    HA   SER  43           HA       SER  43  22.891  17.516  17.516
  331   1HB   SER  43          2HB       SER  43  22.482  16.927  16.927
  332   2HB   SER  43          3HB       SER  43  23.997  17.244  17.244
  333    HG   SER  43           HG       SER  43  21.839  19.167  19.167
  334    H    LEU  44           HN       LEU  44  23.537  15.570  15.570
  335    HA   LEU  44           HA       LEU  44  22.059  13.203  13.203
  336   1HB   LEU  44          2HB       LEU  44  21.832  13.566  13.566
  337   2HB   LEU  44          3HB       LEU  44  23.531  13.940  13.940
  338    HG   LEU  44           HG       LEU  44  24.028  11.525  11.525
  339   1HD1  LEU  44          2HD1      LEU  44  21.390  11.447  11.447
  340   2HD1  LEU  44          3HD1      LEU  44  21.358  10.632  10.632
  341   3HD1  LEU  44          1HD1      LEU  44  22.431  10.033  10.033
  342   1HD2  LEU  44          2HD2      LEU  44  23.171  12.704  12.704
  343   2HD2  LEU  44          3HD2      LEU  44  24.326  11.376  11.376
  344   3HD2  LEU  44          1HD2      LEU  44  22.595  11.021  11.021
  345    H    SER  45           HN       SER  45  23.124  11.314  11.314
  346    HA   SER  45           HA       SER  45  25.992  11.617  11.617
  347   1HB   SER  45          2HB       SER  45  24.006  10.736  10.736
  348   2HB   SER  45          3HB       SER  45  25.747  10.621  10.621
  349    HG   SER  45           HG       SER  45  24.114  12.793  12.793
  350    H    VAL  46           HN       VAL  46  27.122   9.763   9.763
  351    HA   VAL  46           HA       VAL  46  25.586   7.270   7.270
  352    HB   VAL  46           HB       VAL  46  27.513   8.242   8.242
  353   1HG1  VAL  46          1HG1      VAL  46  25.712   5.813   5.813
  354   2HG1  VAL  46          2HG1      VAL  46  26.457   6.349   6.349
  355   3HG1  VAL  46          3HG1      VAL  46  27.485   5.856   5.856
  356   1HG2  VAL  46          1HG2      VAL  46  24.703   8.867   8.867
  357   2HG2  VAL  46          2HG2      VAL  46  25.854   9.519   9.519
  358   3HG2  VAL  46          3HG2      VAL  46  24.964   8.019   8.019
  359    H    ARG  47           HN       ARG  47  27.002   5.318   5.318
  360    HA   ARG  47           HA       ARG  47  29.197   5.871   5.871
  361   1HB   ARG  47          2HB       ARG  47  27.491   4.093   4.093
  362   2HB   ARG  47          3HB       ARG  47  27.988   3.202   3.202
  363   1HG   ARG  47          2HG       ARG  47  30.053   2.587   2.587
  364   2HG   ARG  47          3HG       ARG  47  30.132   3.992   3.992
  365   1HD   ARG  47          2HD       ARG  47  28.761   3.032   3.032
  366   2HD   ARG  47          3HD       ARG  47  27.910   2.015   2.015
  367    HE   ARG  47           HE       ARG  47  30.558   1.094   1.094
  368   1HH1  ARG  47          2HH2      ARG  47  28.048   1.456   1.456
  369   2HH1  ARG  47          1HH2      ARG  47  28.615   0.132   0.132
  370   1HH2  ARG  47          2HH1      ARG  47  31.306  -0.653  -0.653
  371   2HH2  ARG  47          1HH1      ARG  47  30.481  -1.075  -1.075
  372    H    ASP  48           HN       ASP  48  31.389   5.283   5.283
  373    HA   ASP  48           HA       ASP  48  31.912   3.977   3.977
  374   1HB   ASP  48          2HB       ASP  48  31.857   6.410   6.410
  375   2HB   ASP  48          3HB       ASP  48  33.030   6.731   6.731
  376    H    TYR  49           HN       TYR  49  34.356   3.433   3.433
  377    HA   TYR  49           HA       TYR  49  35.565   3.415   3.415
  378   1HB   TYR  49          2HB       TYR  49  34.450   1.227   1.227
  379   2HB   TYR  49          3HB       TYR  49  35.699   1.252   1.252
  380    HD1  TYR  49           HD1      TYR  49  38.097   0.930   0.930
  381    HD2  TYR  49           HD2      TYR  49  34.910   0.475   0.475
  382    HE1  TYR  49           HE1      TYR  49  39.651  -0.335  -0.335
  383    HE2  TYR  49           HE2      TYR  49  36.475  -0.790  -0.790
  384    HH   TYR  49           HH       TYR  49  39.256  -2.134  -2.134
  385    H    ASP  50           HN       ASP  50  37.935   3.265   3.265
  386    HA   ASP  50           HA       ASP  50  39.094   3.993   3.993
  387   1HB   ASP  50          2HB       ASP  50  39.147   5.492   5.492
  388   2HB   ASP  50          3HB       ASP  50  40.666   5.417   5.417
  389    HA   PRO  51           HA       PRO  51  42.026   1.032   1.032
  390   1HB   PRO  51          2HB       PRO  51  44.056   1.474   1.474
  391   2HB   PRO  51          3HB       PRO  51  42.641   0.514   0.514
  392   1HG   PRO  51          2HG       PRO  51  43.309   3.259   3.259
  393   2HG   PRO  51          3HG       PRO  51  42.148   2.141   2.141
  394   1HD   PRO  51          2HD       PRO  51  41.572   4.406   4.406
  395   2HD   PRO  51          3HD       PRO  51  40.424   3.222   3.222
  396    H    ARG  52           HN       ARG  52  42.396   4.296   4.296
  397    HA   ARG  52           HA       ARG  52  44.948   3.919   3.919
  398   1HB   ARG  52          2HB       ARG  52  43.398   6.384   6.384
  399   2HB   ARG  52          3HB       ARG  52  44.766   6.526   6.526
  400   1HG   ARG  52          2HG       ARG  52  45.867   6.749   6.749
  401   2HG   ARG  52          3HG       ARG  52  45.991   5.014   5.014
  402   1HD   ARG  52          2HD       ARG  52  44.141   4.597   4.597
  403   2HD   ARG  52          3HD       ARG  52  43.647   6.278   6.278
  404    HE   ARG  52           HE       ARG  52  46.383   5.945   5.945
  405   1HH1  ARG  52          2HH2      ARG  52  42.996   5.829   5.829
  406   2HH1  ARG  52          1HH2      ARG  52  43.321   6.145   6.145
  407   1HH2  ARG  52          2HH1      ARG  52  46.812   6.362   6.362
  408   2HH2  ARG  52          1HH1      ARG  52  45.506   6.450   6.450
  409    H    GLN  53           HN       GLN  53  41.760   5.605   5.605
  410    HA   GLN  53           HA       GLN  53  42.265   5.614   5.614
  411   1HB   GLN  53          2HB       GLN  53  39.946   6.605   6.605
  412   2HB   GLN  53          3HB       GLN  53  39.945   6.715   6.715
  413   1HG   GLN  53          2HG       GLN  53  42.460   7.746   7.746
  414   2HG   GLN  53          3HG       GLN  53  41.418   8.339   8.339
  415   1HE2  GLN  53          2HE2      GLN  53  41.159  10.986  10.986
  416   2HE2  GLN  53          1HE2      GLN  53  42.179  10.351  10.351
  417    H    GLY  54           HN       GLY  54  39.619   4.344   4.344
  418   1HA   GLY  54          1HA       GLY  54  39.214   1.903   1.903
  419   2HA   GLY  54          2HA       GLY  54  39.114   2.265   2.265
  420    H    ASP  55           HN       ASP  55  37.015   2.191   2.191
  421    HA   ASP  55           HA       ASP  55  34.903   2.544   2.544
  422   1HB   ASP  55          2HB       ASP  55  34.904   2.693   2.693
  423   2HB   ASP  55          3HB       ASP  55  33.483   2.457   2.457
  424    H    THR  56           HN       THR  56  34.266   4.542   4.542
  425    HA   THR  56           HA       THR  56  34.295   6.829   6.829
  426    HB   THR  56           HB       THR  56  35.391   8.188   8.188
  427    HG1  THR  56           HG1      THR  56  34.766   5.898   5.898
  428   1HG2  THR  56          3HG2      THR  56  36.724   5.895   5.895
  429   2HG2  THR  56          1HG2      THR  56  36.770   5.726   5.726
  430   3HG2  THR  56          2HG2      THR  56  37.457   7.174   7.174
  431    H    VAL  57           HN       VAL  57  32.941   8.700   8.700
  432    HA   VAL  57           HA       VAL  57  30.687   7.604   7.604
  433    HB   VAL  57           HB       VAL  57  30.348   9.302   9.302
  434   1HG1  VAL  57          3HG1      VAL  57  28.516   7.916   7.916
  435   2HG1  VAL  57          1HG1      VAL  57  28.011   8.097   8.097
  436   3HG1  VAL  57          2HG1      VAL  57  28.396   9.538   9.538
  437   1HG2  VAL  57          3HG2      VAL  57  30.304   6.282   6.282
  438   2HG2  VAL  57          1HG2      VAL  57  31.313   7.276   7.276
  439   3HG2  VAL  57          2HG2      VAL  57  29.559   7.162   7.162
  440    H    LYS  58           HN       LYS  58  30.260   8.879   8.879
  441    HA   LYS  58           HA       LYS  58  31.487  11.511  11.511
  442   1HB   LYS  58          2HB       LYS  58  30.203   9.813   9.813
  443   2HB   LYS  58          3HB       LYS  58  30.838  11.424  11.424
  444   1HG   LYS  58          2HG       LYS  58  32.562   9.273   9.273
  445   2HG   LYS  58          3HG       LYS  58  32.396   9.364   9.364
  446   1HD   LYS  58          2HD       LYS  58  33.061  11.911  11.911
  447   2HD   LYS  58          3HD       LYS  58  34.326  10.707  10.707
  448   1HE   LYS  58          2HE       LYS  58  32.843  11.192  11.192
  449   2HE   LYS  58          3HE       LYS  58  33.697  12.601  12.601
  450   1HZ   LYS  58          2HZ       LYS  58  35.650  11.080  11.080
  451   2HZ   LYS  58          3HZ       LYS  58  34.824   9.972   9.972
  452   3HZ   LYS  58          1HZ       LYS  58  35.204  11.414  11.414
  453    H    HIS  59           HN       HIS  59  30.256  13.426  13.426
  454    HA   HIS  59           HA       HIS  59  27.384  13.163  13.163
  455   1HB   HIS  59          2HB       HIS  59  28.860  15.333  15.333
  456   2HB   HIS  59          3HB       HIS  59  27.216  14.769  14.769
  457    HD1  HIS  59           HD1      HIS  59  30.559  14.432  14.432
  458    HD2  HIS  59           HD2      HIS  59  27.156  11.991  11.991
  459    HE1  HIS  59           HE1      HIS  59  30.858  12.606  12.606
  460    H    TYR  60           HN       TYR  60  26.586  13.939  13.939
  461    HA   TYR  60           HA       TYR  60  28.055  16.109  16.109
  462   1HB   TYR  60          2HB       TYR  60  25.677  14.365  14.365
  463   2HB   TYR  60          3HB       TYR  60  26.677  15.343  15.343
  464    HD1  TYR  60           HD1      TYR  60  26.620  12.288  12.288
  465    HD2  TYR  60           HD2      TYR  60  28.774  14.530  14.530
  466    HE1  TYR  60           HE1      TYR  60  28.146  10.297  10.297
  467    HE2  TYR  60           HE2      TYR  60  30.293  12.531  12.531
  468    HH   TYR  60           HH       TYR  60  29.679   9.665   9.665
  469    H    LYS  61           HN       LYS  61  26.780  17.887  17.887
  470    HA   LYS  61           HA       LYS  61  24.587  18.623  18.623
  471   1HB   LYS  61          2HB       LYS  61  25.099  20.886  20.886
  472   2HB   LYS  61          3HB       LYS  61  26.628  20.086  20.086
  473   1HG   LYS  61          2HG       LYS  61  27.224  20.057  20.057
  474   2HG   LYS  61          3HG       LYS  61  25.571  20.302  20.302
  475   1HD   LYS  61          2HD       LYS  61  25.703  22.580  22.580
  476   2HD   LYS  61          3HD       LYS  61  26.563  22.486  22.486
  477   1HE   LYS  61          2HE       LYS  61  28.495  21.549  21.549
  478   2HE   LYS  61          3HE       LYS  61  27.641  22.670  22.670
  479   1HZ   LYS  61          1HZ       LYS  61  27.958  23.896  23.896
  480   2HZ   LYS  61          2HZ       LYS  61  29.407  23.251  23.251
  481   3HZ   LYS  61          3HZ       LYS  61  28.674  24.290  24.290
  482    H    ILE  62           HN       ILE  62  22.620  19.541  19.541
  483    HA   ILE  62           HA       ILE  62  22.213  18.824  18.824
  484    HB   ILE  62           HB       ILE  62  20.468  18.212  18.212
  485   1HG1  ILE  62          2HG1      ILE  62  21.232  16.286  16.286
  486   2HG1  ILE  62          3HG1      ILE  62  22.409  16.687  16.687
  487   1HG2  ILE  62          3HG2      ILE  62  19.719  18.692  18.692
  488   2HG2  ILE  62          1HG2      ILE  62  19.047  17.227  17.227
  489   3HG2  ILE  62          2HG2      ILE  62  18.754  18.822  18.822
  490   1HD1  ILE  62          1HD1      ILE  62  19.694  16.113  16.113
  491   2HD1  ILE  62          2HD1      ILE  62  20.482  14.735  14.735
  492   3HD1  ILE  62          3HD1      ILE  62  21.283  15.542  15.542
  493    H    ARG  63           HN       ARG  63  22.355  20.885  20.885
  494    HA   ARG  63           HA       ARG  63  20.874  22.951  22.951
  495   1HB   ARG  63          2HB       ARG  63  22.991  22.849  22.849
  496   2HB   ARG  63          3HB       ARG  63  21.910  24.228  24.228
  497   1HG   ARG  63          2HG       ARG  63  23.143  23.431  23.431
  498   2HG   ARG  63          3HG       ARG  63  24.164  24.233  24.233
  499   1HD   ARG  63          2HD       ARG  63  22.280  26.020  26.020
  500   2HD   ARG  63          3HD       ARG  63  21.599  25.291  25.291
  501    HE   ARG  63           HE       ARG  63  24.455  25.949  25.949
  502   1HH1  ARG  63          2HH2      ARG  63  21.160  27.101  27.101
  503   2HH1  ARG  63          1HH2      ARG  63  21.603  28.316  28.316
  504   1HH2  ARG  63          2HH1      ARG  63  25.041  27.551  27.551
  505   2HH2  ARG  63          1HH1      ARG  63  23.826  28.574  28.574
  506    H    THR  64           HN       THR  64  19.155  24.165  24.165
  507    HA   THR  64           HA       THR  64  17.911  22.676  22.676
  508    HB   THR  64           HB       THR  64  15.823  23.419  23.419
  509    HG1  THR  64           HG1      THR  64  17.491  25.197  25.197
  510   1HG2  THR  64          1HG2      THR  64  17.282  21.910  21.910
  511   2HG2  THR  64          2HG2      THR  64  17.454  23.412  23.412
  512   3HG2  THR  64          3HG2      THR  64  15.838  22.725  22.725
  513    H    LEU  65           HN       LEU  65  16.829  23.885  23.885
  514    HA   LEU  65           HA       LEU  65  18.386  26.281  26.281
  515   1HB   LEU  65          2HB       LEU  65  16.703  24.568  24.568
  516   2HB   LEU  65          3HB       LEU  65  17.767  25.878  25.878
  517    HG   LEU  65           HG       LEU  65  18.884  23.507  23.507
  518   1HD1  LEU  65          2HD1      LEU  65  17.493  22.649  22.649
  519   2HD1  LEU  65          3HD1      LEU  65  18.509  23.592  23.592
  520   3HD1  LEU  65          1HD1      LEU  65  19.229  22.286  22.286
  521   1HD2  LEU  65          3HD2      LEU  65  20.076  25.783  25.783
  522   2HD2  LEU  65          1HD2      LEU  65  20.925  24.219  24.219
  523   3HD2  LEU  65          2HD2      LEU  65  20.278  24.935  24.935
  524    H    ASP  66           HN       ASP  66  17.284  28.167  28.167
  525    HA   ASP  66           HA       ASP  66  15.228  29.018  29.018
  526   1HB   ASP  66          2HB       ASP  66  16.212  29.815  29.815
  527   2HB   ASP  66          3HB       ASP  66  14.818  30.625  30.625
  528    H    ASN  67           HN       ASN  67  15.189  27.592  27.592
  529    HA   ASN  67           HA       ASN  67  12.371  27.012  27.012
  530   1HB   ASN  67          2HB       ASN  67  13.681  28.483  28.483
  531   2HB   ASN  67          3HB       ASN  67  12.534  27.255  27.255
  532   1HD2  ASN  67          2HD2      ASN  67   9.677  29.036  29.036
  533   2HD2  ASN  67          1HD2      ASN  67  10.434  27.651  27.651
  534    H    GLY  68           HN       GLY  68  13.563  24.915  24.915
  535   1HA   GLY  68          1HA       GLY  68  13.623  23.078  23.078
  536   2HA   GLY  68          2HA       GLY  68  15.190  23.345  23.345
  537    H    GLY  69           HN       GLY  69  15.715  21.851  21.851
  538   1HA   GLY  69          1HA       GLY  69  13.659  21.053  21.053
  539   2HA   GLY  69          2HA       GLY  69  14.421  19.802  19.802
  540    H    PHE  70           HN       PHE  70  16.213  18.850  18.850
  541    HA   PHE  70           HA       PHE  70  17.899  20.507  20.507
  542   1HB   PHE  70          2HB       PHE  70  17.023  17.595  17.595
  543   2HB   PHE  70          3HB       PHE  70  17.998  18.553  18.553
  544    HD1  PHE  70           HD2      PHE  70  14.655  18.664  18.664
  545    HD2  PHE  70           HD1      PHE  70  16.951  19.559  19.559
  546    HE1  PHE  70           HE2      PHE  70  12.577  19.426  19.426
  547    HE2  PHE  70           HE1      PHE  70  14.873  20.321  20.321
  548   1HZ   PHE  70           HZ       PHE  70  12.710  20.245  20.245
  549    H    TYR  71           HN       TYR  71  20.080  20.264  20.264
  550    HA   TYR  71           HA       TYR  71  20.902  17.919  17.919
  551   1HB   TYR  71          2HB       TYR  71  22.162  19.449  19.449
  552   2HB   TYR  71          3HB       TYR  71  20.548  20.122  20.122
  553    HD1  TYR  71           HD1      TYR  71  20.131  22.062  22.062
  554    HD2  TYR  71           HD2      TYR  71  24.065  20.667  20.667
  555    HE1  TYR  71           HE1      TYR  71  21.114  24.259  24.259
  556    HE2  TYR  71           HE2      TYR  71  25.034  22.869  22.869
  557    HH   TYR  71           HH       TYR  71  23.353  24.986  24.986
  558    H    ILE  72           HN       ILE  72  23.126  17.281  17.281
  559    HA   ILE  72           HA       ILE  72  24.246  18.395  18.395
  560    HB   ILE  72           HB       ILE  72  24.369  15.630  15.630
  561   1HG1  ILE  72          2HG1      ILE  72  23.459  16.388  16.388
  562   2HG1  ILE  72          3HG1      ILE  72  22.364  16.501  16.501
  563   1HG2  ILE  72          2HG2      ILE  72  26.078  16.914  16.914
  564   2HG2  ILE  72          3HG2      ILE  72  25.690  15.178  15.178
  565   3HG2  ILE  72          1HG2      ILE  72  26.539  15.834  15.834
  566   1HD1  ILE  72          1HD1      ILE  72  22.823  14.099  14.099
  567   2HD1  ILE  72          2HD1      ILE  72  23.876  13.997  13.997
  568   3HD1  ILE  72          3HD1      ILE  72  22.133  14.301  14.301
  569    H    SER  73           HN       SER  73  25.003  17.143  17.143
  570    HA   SER  73           HA       SER  73  27.518  18.601  18.601
  571   1HB   SER  73          2HB       SER  73  28.058  16.322  16.322
  572   2HB   SER  73          3HB       SER  73  26.735  16.099  16.099
  573    HG   SER  73           HG       SER  73  29.262  16.665  16.665
  574    HA   PRO  74           HA       PRO  74  25.993  21.157  21.157
  575   1HB   PRO  74          2HB       PRO  74  28.308  22.340  22.340
  576   2HB   PRO  74          3HB       PRO  74  27.427  22.861  22.861
  577   1HG   PRO  74          2HG       PRO  74  29.939  21.310  21.310
  578   2HG   PRO  74          3HG       PRO  74  29.278  22.192  22.192
  579   1HD   PRO  74          2HD       PRO  74  29.245  19.350  19.350
  580   2HD   PRO  74          3HD       PRO  74  28.484  20.241  20.241
  581    H    ARG  75           HN       ARG  75  25.671  18.755  18.755
  582    HA   ARG  75           HA       ARG  75  26.780  19.028  19.028
  583   1HB   ARG  75          2HB       ARG  75  26.664  16.389  16.389
  584   2HB   ARG  75          3HB       ARG  75  27.227  16.578  16.578
  585   1HG   ARG  75          2HG       ARG  75  28.507  18.171  18.171
  586   2HG   ARG  75          3HG       ARG  75  28.991  16.513  16.513
  587   1HD   ARG  75          2HD       ARG  75  29.178  17.385  17.385
  588   2HD   ARG  75          3HD       ARG  75  29.360  18.941  18.941
  589    HE   ARG  75           HE       ARG  75  31.072  17.037  17.037
  590   1HH1  ARG  75          1HH2      ARG  75  32.489  18.826  18.826
  591   2HH1  ARG  75          2HH2      ARG  75  30.784  18.819  18.819
  592   1HH2  ARG  75          2HH1      ARG  75  33.321  17.047  17.047
  593   2HH2  ARG  75          1HH1      ARG  75  33.942  17.811  17.811
  594    H    SER  76           HN       SER  76  24.665  16.812  16.812
  595    HA   SER  76           HA       SER  76  22.555  17.365  17.365
  596   1HB   SER  76          2HB       SER  76  23.642  14.706  14.706
  597   2HB   SER  76          3HB       SER  76  21.917  14.827  14.827
  598    HG   SER  76           HG       SER  76  23.873  14.518  14.518
  599    H    THR  77           HN       THR  77  20.995  18.443  18.443
  600    HA   THR  77           HA       THR  77  20.733  17.883  17.883
  601    HB   THR  77           HB       THR  77  19.340  19.946  19.946
  602    HG1  THR  77           HG1      THR  77  18.605  20.584  20.584
  603   1HG2  THR  77          3HG2      THR  77  22.066  19.868  19.868
  604   2HG2  THR  77          1HG2      THR  77  21.109  21.313  21.313
  605   3HG2  THR  77          2HG2      THR  77  21.440  20.912  20.912
  606    H    PHE  78           HN       PHE  78  18.398  17.846  17.846
  607    HA   PHE  78           HA       PHE  78  16.739  16.239  16.239
  608   1HB   PHE  78          2HB       PHE  78  17.197  15.773  15.773
  609   2HB   PHE  78          3HB       PHE  78  16.353  14.700  14.700
  610    HD1  PHE  78           HD2      PHE  78  19.705  16.124  16.124
  611    HD2  PHE  78           HD1      PHE  78  17.508  12.996  12.996
  612    HE1  PHE  78           HE2      PHE  78  21.839  14.869  14.869
  613    HE2  PHE  78           HE1      PHE  78  19.642  11.741  11.741
  614   1HZ   PHE  78           HZ       PHE  78  21.782  12.692  12.692
  615    H    SER  79           HN       SER  79  14.445  16.339  16.339
  616    HA   SER  79           HA       SER  79  13.745  18.841  18.841
  617   1HB   SER  79          2HB       SER  79  12.250  16.753  16.753
  618   2HB   SER  79          3HB       SER  79  11.380  18.040  18.040
  619    HG   SER  79           HG       SER  79  13.379  19.276  19.276
  620    H    THR  80           HN       THR  80  13.713  15.396  15.396
  621    HA   THR  80           HA       THR  80  12.443  16.021  16.021
  622    HB   THR  80           HB       THR  80  10.969  14.102  14.102
  623    HG1  THR  80           HG1      THR  80  11.786  12.489  12.489
  624   1HG2  THR  80          1HG2      THR  80  11.106  15.512  15.512
  625   2HG2  THR  80          2HG2      THR  80   9.758  14.489  14.489
  626   3HG2  THR  80          3HG2      THR  80  10.109  16.022  16.022
  627    H    LEU  81           HN       LEU  81  13.030  14.593  14.593
  628    HA   LEU  81           HA       LEU  81  15.757  13.778  13.778
  629   1HB   LEU  81          2HB       LEU  81  13.762  13.708  13.708
  630   2HB   LEU  81          3HB       LEU  81  15.402  13.109  13.109
  631    HG   LEU  81           HG       LEU  81  14.887  15.930  15.930
  632   1HD1  LEU  81          1HD1      LEU  81  14.504  14.812  14.812
  633   2HD1  LEU  81          2HD1      LEU  81  15.396  16.347  16.347
  634   3HD1  LEU  81          3HD1      LEU  81  13.748  16.216  16.216
  635   1HD2  LEU  81          2HD2      LEU  81  17.202  14.570  14.570
  636   2HD2  LEU  81          3HD2      LEU  81  17.143  15.130  15.130
  637   3HD2  LEU  81          1HD2      LEU  81  17.104  16.311  16.311
  638    H    GLN  82           HN       GLN  82  12.613  12.307  12.307
  639    HA   GLN  82           HA       GLN  82  13.398   9.694   9.694
  640   1HB   GLN  82          2HB       GLN  82  11.030  10.478  10.478
  641   2HB   GLN  82          3HB       GLN  82  11.130  10.668  10.668
  642   1HG   GLN  82          2HG       GLN  82  10.108   8.527   8.527
  643   2HG   GLN  82          3HG       GLN  82  11.755   8.185   8.185
  644   1HE2  GLN  82          2HE2      GLN  82  10.299   6.867   6.867
  645   2HE2  GLN  82          1HE2      GLN  82   9.372   7.582   7.582
  646    H    GLU  83           HN       GLU  83  13.645  11.739  11.739
  647    HA   GLU  83           HA       GLU  83  14.275   9.493   9.493
  648   1HB   GLU  83          2HB       GLU  83  14.346  12.494  12.494
  649   2HB   GLU  83          3HB       GLU  83  14.622  11.261  11.261
  650   1HG   GLU  83          2HG       GLU  83  12.102  11.093  11.093
  651   2HG   GLU  83          3HG       GLU  83  12.184  12.308  12.308
  652    H    LEU  84           HN       LEU  84  15.918  11.839  11.839
  653    HA   LEU  84           HA       LEU  84  18.451  11.561  11.561
  654   1HB   LEU  84          2HB       LEU  84  18.121  13.620  13.620
  655   2HB   LEU  84          3HB       LEU  84  17.418  12.929  12.929
  656    HG   LEU  84           HG       LEU  84  20.299  12.375  12.375
  657   1HD1  LEU  84          2HD1      LEU  84  19.146  15.015  15.015
  658   2HD1  LEU  84          3HD1      LEU  84  20.483  14.526  14.526
  659   3HD1  LEU  84          1HD1      LEU  84  20.724  14.574  14.574
  660   1HD2  LEU  84          3HD2      LEU  84  18.598  12.497  12.497
  661   2HD2  LEU  84          1HD2      LEU  84  19.542  11.135  11.135
  662   3HD2  LEU  84          2HD2      LEU  84  20.377  12.531  12.531
  663    H    VAL  85           HN       VAL  85  16.671  10.041  10.041
  664    HA   VAL  85           HA       VAL  85  18.948   8.659   8.659
  665    HB   VAL  85           HB       VAL  85  15.970   8.473   8.473
  666   1HG1  VAL  85          2HG1      VAL  85  18.120   6.591   6.591
  667   2HG1  VAL  85          3HG1      VAL  85  16.735   6.938   6.938
  668   3HG1  VAL  85          1HG1      VAL  85  16.464   6.245   6.245
  669   1HG2  VAL  85          3HG2      VAL  85  17.912  10.157  10.157
  670   2HG2  VAL  85          1HG2      VAL  85  16.293   9.859   9.859
  671   3HG2  VAL  85          2HG2      VAL  85  17.690   8.927   8.927
  672    H    ASP  86           HN       ASP  86  16.371   8.030   8.030
  673    HA   ASP  86           HA       ASP  86  16.947   5.303   5.303
  674   1HB   ASP  86          2HB       ASP  86  15.414   7.374   7.374
  675   2HB   ASP  86          3HB       ASP  86  15.859   5.924   5.924
  676    H    HIS  87           HN       HIS  87  18.203   8.332   8.332
  677    HA   HIS  87           HA       HIS  87  19.496   7.164   7.164
  678   1HB   HIS  87          2HB       HIS  87  18.913   9.527   9.527
  679   2HB   HIS  87          3HB       HIS  87  19.973   9.774   9.774
  680    HD1  HIS  87           HD1      HIS  87  19.926   9.773   9.773
  681    HD2  HIS  87           HD2      HIS  87  22.823   9.430   9.430
  682    HE1  HIS  87           HE1      HIS  87  22.176  10.219  10.219
  683    H    TYR  88           HN       TYR  88  20.445   7.867   7.867
  684    HA   TYR  88           HA       TYR  88  23.159   7.081   7.081
  685   1HB   TYR  88          2HB       TYR  88  21.252   7.639   7.639
  686   2HB   TYR  88          3HB       TYR  88  22.881   7.079   7.079
  687    HD1  TYR  88           HD2      TYR  88  24.412   8.568   8.568
  688    HD2  TYR  88           HD1      TYR  88  21.243   9.845   9.845
  689    HE1  TYR  88           HE2      TYR  88  25.255  10.962  10.962
  690    HE2  TYR  88           HE1      TYR  88  22.097  12.235  12.235
  691    HH   TYR  88           HH       TYR  88  24.337  13.209  13.209
  692    H    LYS  89           HN       LYS  89  20.161   5.399   5.399
  693    HA   LYS  89           HA       LYS  89  21.318   3.142   3.142
  694   1HB   LYS  89          2HB       LYS  89  18.604   3.793   3.793
  695   2HB   LYS  89          3HB       LYS  89  18.999   2.165   2.165
  696   1HG   LYS  89          2HG       LYS  89  19.883   4.045   4.045
  697   2HG   LYS  89          3HG       LYS  89  18.208   4.373   4.373
  698   1HD   LYS  89          2HD       LYS  89  18.702   1.483   1.483
  699   2HD   LYS  89          3HD       LYS  89  19.177   2.313   2.313
  700   1HE   LYS  89          2HE       LYS  89  16.767   3.549   3.549
  701   2HE   LYS  89          3HE       LYS  89  16.458   1.959   1.959
  702   1HZ   LYS  89          2HZ       LYS  89  17.455   2.482   2.482
  703   2HZ   LYS  89          3HZ       LYS  89  15.924   2.063   2.063
  704   3HZ   LYS  89          1HZ       LYS  89  17.144   1.005   1.005
  705    H    LYS  90           HN       LYS  90  20.794   4.276   4.276
  706    HA   LYS  90           HA       LYS  90  21.235   1.656   1.656
  707   1HB   LYS  90          2HB       LYS  90  20.698   4.402   4.402
  708   2HB   LYS  90          3HB       LYS  90  21.280   3.121   3.121
  709   1HG   LYS  90          2HG       LYS  90  19.332   1.709   1.709
  710   2HG   LYS  90          3HG       LYS  90  18.670   3.295   3.295
  711   1HD   LYS  90          2HD       LYS  90  18.474   3.848   3.848
  712   2HD   LYS  90          3HD       LYS  90  19.587   2.586   2.586
  713   1HE   LYS  90          2HE       LYS  90  17.863   0.891   0.891
  714   2HE   LYS  90          3HE       LYS  90  16.745   2.235   2.235
  715   1HZ   LYS  90          3HZ       LYS  90  17.947   2.267   2.267
  716   2HZ   LYS  90          1HZ       LYS  90  17.344   0.774   0.774
  717   3HZ   LYS  90          2HZ       LYS  90  16.368   2.080   2.080
  718    H    GLY  91           HN       GLY  91  23.080   4.530   4.530
  719   1HA   GLY  91          1HA       GLY  91  25.544   3.181   3.181
  720   2HA   GLY  91          2HA       GLY  91  25.342   4.174   4.174
  721    H    ASN  92           HN       ASN  92  27.251   4.462   4.462
  722    HA   ASN  92           HA       ASN  92  26.580   6.315   6.315
  723   1HB   ASN  92          2HB       ASN  92  29.080   7.165   7.165
  724   2HB   ASN  92          3HB       ASN  92  28.795   5.573   5.573
  725   1HD2  ASN  92          2HD2      ASN  92  30.842   5.970   5.970
  726   2HD2  ASN  92          1HD2      ASN  92  30.537   7.188   7.188
  727    H    ASP  93           HN       ASP  93  27.779   6.856   6.856
  728    HA   ASP  93           HA       ASP  93  27.913   8.664   8.664
  729   1HB   ASP  93          2HB       ASP  93  25.438   7.981   7.981
  730   2HB   ASP  93          3HB       ASP  93  25.139   9.261   9.261
  731    H    GLY  94           HN       GLY  94  29.421   9.349   9.349
  732   1HA   GLY  94          1HA       GLY  94  29.982  11.756  11.756
  733   2HA   GLY  94          2HA       GLY  94  28.377  11.907  11.907
  734    H    LEU  95           HN       LEU  95  28.034   9.637   9.637
  735    HA   LEU  95           HA       LEU  95  29.546  10.261  10.261
  736   1HB   LEU  95          2HB       LEU  95  27.903   7.795   7.795
  737   2HB   LEU  95          3HB       LEU  95  28.441   8.324   8.324
  738    HG   LEU  95           HG       LEU  95  26.472   9.747   9.747
  739   1HD1  LEU  95          1HD1      LEU  95  25.579   7.750   7.750
  740   2HD1  LEU  95          2HD1      LEU  95  26.080   8.404   8.404
  741   3HD1  LEU  95          3HD1      LEU  95  24.835   9.243   9.243
  742   1HD2  LEU  95          3HD2      LEU  95  27.902  10.650  10.650
  743   2HD2  LEU  95          1HD2      LEU  95  27.433  11.562  11.562
  744   3HD2  LEU  95          2HD2      LEU  95  26.206  11.135  11.135
  745    H    CYS  96           HN       CYS  96  30.582   8.152   8.152
  746    HA   CYS  96           HA       CYS  96  32.895   7.607   7.607
  747   1HB   CYS  96          2HB       CYS  96  33.780   6.563   6.563
  748   2HB   CYS  96          3HB       CYS  96  33.194   8.189   8.189
  749    HG   CYS  96           HG       CYS  96  31.556   7.699   7.699
  750    H    GLN  97           HN       GLN  97  30.042   5.890   5.890
  751    HA   GLN  97           HA       GLN  97  30.523   3.787   3.787
  752   1HB   GLN  97          2HB       GLN  97  30.082   3.137   3.137
  753   2HB   GLN  97          3HB       GLN  97  30.327   1.986   1.986
  754   1HG   GLN  97          2HG       GLN  97  32.611   2.993   2.993
  755   2HG   GLN  97          3HG       GLN  97  32.361   4.054   4.054
  756   1HE2  GLN  97          2HE2      GLN  97  32.602   1.531   1.531
  757   2HE2  GLN  97          1HE2      GLN  97  31.828   3.022   3.022
  758    H    LYS  98           HN       LYS  98  28.577   2.589   2.589
  759    HA   LYS  98           HA       LYS  98  26.273   4.084   4.084
  760   1HB   LYS  98          2HB       LYS  98  25.203   2.146   2.146
  761   2HB   LYS  98          3HB       LYS  98  26.841   2.193   2.193
  762   1HG   LYS  98          2HG       LYS  98  27.562   0.540   0.540
  763   2HG   LYS  98          3HG       LYS  98  25.951   0.526   0.526
  764   1HD   LYS  98          2HD       LYS  98  25.332  -1.073  -1.073
  765   2HD   LYS  98          3HD       LYS  98  25.628   0.036   0.036
  766   1HE   LYS  98          2HE       LYS  98  28.068  -0.620  -0.620
  767   2HE   LYS  98          3HE       LYS  98  27.713  -1.781  -1.781
  768   1HZ   LYS  98          3HZ       LYS  98  25.893  -2.370  -2.370
  769   2HZ   LYS  98          1HZ       LYS  98  27.172  -1.940  -1.940
  770   3HZ   LYS  98          2HZ       LYS  98  27.323  -3.138  -3.138
  771    H    LEU  99           HN       LEU  99  24.091   3.370   3.370
  772    HA   LEU  99           HA       LEU  99  24.527   3.211   3.211
  773   1HB   LEU  99          2HB       LEU  99  22.177   3.890   3.890
  774   2HB   LEU  99          3HB       LEU  99  21.993   3.613   3.613
  775    HG   LEU  99           HG       LEU  99  23.499   5.822   5.822
  776   1HD1  LEU  99          2HD1      LEU  99  21.090   6.124   6.124
  777   2HD1  LEU  99          3HD1      LEU  99  21.363   5.867   5.867
  778   3HD1  LEU  99          1HD1      LEU  99  22.084   7.275   7.275
  779   1HD2  LEU  99          3HD2      LEU  99  23.924   4.745   4.745
  780   2HD2  LEU  99          1HD2      LEU  99  25.103   5.363   5.363
  781   3HD2  LEU  99          2HD2      LEU  99  24.057   6.496   6.496
  782    H    SER 100           HN       SER 100  24.030   1.476   1.476
  783    HA   SER 100           HA       SER 100  23.373  -0.930  -0.930
  784   1HB   SER 100          2HB       SER 100  23.971  -2.066  -2.066
  785   2HB   SER 100          3HB       SER 100  25.255  -1.027  -1.027
  786    HG   SER 100           HG       SER 100  24.667  -0.880  -0.880
  787    H    VAL 101           HN       VAL 101  22.427   0.226   0.226
  788    HA   VAL 101           HA       VAL 101  19.631  -0.221  -0.221
  789    HB   VAL 101           HB       VAL 101  19.381  -1.165  -1.165
  790   1HG1  VAL 101          1HG1      VAL 101  19.692  -2.355  -2.355
  791   2HG1  VAL 101          2HG1      VAL 101  20.959  -3.166  -3.166
  792   3HG1  VAL 101          3HG1      VAL 101  19.267  -3.212  -3.212
  793   1HG2  VAL 101          1HG2      VAL 101  22.061  -0.520  -0.520
  794   2HG2  VAL 101          2HG2      VAL 101  21.162  -1.614  -1.614
  795   3HG2  VAL 101          3HG2      VAL 101  22.096  -2.277  -2.277
  796    HA   PRO 102           HA       PRO 102  19.070   3.561   3.561
  797   1HB   PRO 102          2HB       PRO 102  16.422   3.454   3.454
  798   2HB   PRO 102          3HB       PRO 102  16.989   3.844   3.844
  799   1HG   PRO 102          2HG       PRO 102  15.784   1.330   1.330
  800   2HG   PRO 102          3HG       PRO 102  15.960   1.891   1.891
  801   1HD   PRO 102          2HD       PRO 102  17.551  -0.102  -0.102
  802   2HD   PRO 102          3HD       PRO 102  17.799   0.543   0.543
  803    H    CYS 103           HN       CYS 103  19.035   4.710   4.710
  804    HA   CYS 103           HA       CYS 103  20.058   3.444   3.444
  805   1HB   CYS 103          2HB       CYS 103  19.475   5.981   5.981
  806   2HB   CYS 103          3HB       CYS 103  18.056   5.623   5.623
  807    HG   CYS 103           HG       CYS 103  21.233   5.039   5.039
  808    H    MET 104           HN       MET 104  19.360   1.765   1.765
  809    HA   MET 104           HA       MET 104  16.667   0.919   0.919
  810   1HB   MET 104          2HB       MET 104  18.353  -0.792  -0.792
  811   2HB   MET 104          3HB       MET 104  19.142   0.044   0.044
  812   1HG   MET 104          2HG       MET 104  17.783  -0.920  -0.920
  813   2HG   MET 104          3HG       MET 104  16.334  -0.570  -0.570
  814   1HE   MET 104          1HE       MET 104  19.311  -2.592  -2.592
  815   2HE   MET 104          2HE       MET 104  18.885  -4.262  -4.262
  816   3HE   MET 104          3HE       MET 104  19.533  -3.153  -3.153
  817    H    SER 105           HN       SER 105  14.958   1.250   1.250
  818    HA   SER 105           HA       SER 105  15.316   3.247   3.247
  819   1HB   SER 105          2HB       SER 105  12.893   3.022   3.022
  820   2HB   SER 105          3HB       SER 105  13.254   3.072   3.072
  821    HG   SER 105           HG       SER 105  12.126   1.257   1.257
  822    H    SER 106           HN       SER 106  16.452   2.657   2.657
  823    HA   SER 106           HA       SER 106  15.287   0.495   0.495
  824   1HB   SER 106          2HB       SER 106  17.737   0.195   0.195
  825   2HB   SER 106          3HB       SER 106  18.195   0.443   0.443
  826    HG   SER 106           HG       SER 106  17.714  -1.842  -1.842
  827    H    LYS 107           HN       LYS 107  16.483   0.494   0.494
  828    HA   LYS 107           HA       LYS 107  17.689   2.902   2.902
  829   1HB   LYS 107          2HB       LYS 107  14.901   3.116   3.116
  830   2HB   LYS 107          3HB       LYS 107  15.156   2.922   2.922
  831   1HG   LYS 107          2HG       LYS 107  16.963   4.735   4.735
  832   2HG   LYS 107          3HG       LYS 107  16.450   5.008   5.008
  833   1HD   LYS 107          2HD       LYS 107  15.044   6.541   6.541
  834   2HD   LYS 107          3HD       LYS 107  14.019   5.139   5.139
  835   1HE   LYS 107          2HE       LYS 107  15.812   5.090   5.090
  836   2HE   LYS 107          3HE       LYS 107  15.389   6.780   6.780
  837   1HZ   LYS 107          1HZ       LYS 107  13.032   5.957   5.957
  838   2HZ   LYS 107          2HZ       LYS 107  13.578   4.520   4.520
  839   3HZ   LYS 107          3HZ       LYS 107  13.748   5.863   5.863

  Start of MODEL    5
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   3.063   0.382   0.382
    3   1HB   MET   1          2HB       MET   1   1.262  -1.983  -1.983
    4   2HB   MET   1          3HB       MET   1   2.158  -1.399  -1.399
    5   1HG   MET   1          2HG       MET   1   4.289  -1.551  -1.551
    6   2HG   MET   1          3HG       MET   1   3.361  -2.243  -2.243
    7   1HE   MET   1          1HE       MET   1   5.715  -3.601  -3.601
    8   2HE   MET   1          2HE       MET   1   4.671  -4.713  -4.713
    9   3HE   MET   1          3HE       MET   1   5.376  -5.230  -5.230
   10    H    GLU   2           HN       GLU   2  -0.362  -0.118  -0.118
   11    HA   GLU   2           HA       GLU   2   0.141   1.851   1.851
   12   1HB   GLU   2          2HB       GLU   2  -1.536  -0.489  -0.489
   13   2HB   GLU   2          3HB       GLU   2  -2.563   0.892   0.892
   14   1HG   GLU   2          2HG       GLU   2  -0.798   1.480   1.480
   15   2HG   GLU   2          3HG       GLU   2  -0.260  -0.176  -0.176
   16    H    THR   3           HN       THR   3  -1.917   3.363   3.363
   17    HA   THR   3           HA       THR   3  -2.384   4.720   4.720
   18    HB   THR   3           HB       THR   3  -3.187   6.535   6.535
   19    HG1  THR   3           HG1      THR   3  -3.659   5.176   5.176
   20   1HG2  THR   3          1HG2      THR   3  -0.390   5.335   5.335
   21   2HG2  THR   3          2HG2      THR   3  -0.844   6.778   6.778
   22   3HG2  THR   3          3HG2      THR   3  -0.891   6.822   6.822
   23    H    GLU   4           HN       GLU   4  -4.658   5.898   5.898
   24    HA   GLU   4           HA       GLU   4  -6.638   3.902   3.902
   25   1HB   GLU   4          2HB       GLU   4  -5.950   4.897   4.897
   26   2HB   GLU   4          3HB       GLU   4  -7.663   4.982   4.982
   27   1HG   GLU   4          2HG       GLU   4  -7.263   2.801   2.801
   28   2HG   GLU   4          3HG       GLU   4  -7.563   2.553   2.553
   29    H    GLU   5           HN       GLU   5  -8.122   4.817   4.817
   30    HA   GLU   5           HA       GLU   5  -8.647   7.657   7.657
   31   1HB   GLU   5          2HB       GLU   5  -7.960   6.137   6.137
   32   2HB   GLU   5          3HB       GLU   5  -9.364   7.168   7.168
   33   1HG   GLU   5          2HG       GLU   5  -8.156   9.142   9.142
   34   2HG   GLU   5          3HG       GLU   5  -6.935   8.322   8.322
   35    H    TRP   6           HN       TRP   6 -10.125   6.008   6.008
   36    HA   TRP   6           HA       TRP   6 -12.494   5.178   5.178
   37   1HB   TRP   6          2HB       TRP   6 -13.215   4.620   4.620
   38   2HB   TRP   6          3HB       TRP   6 -11.983   3.650   3.650
   39    HD1  TRP   6           HD1      TRP   6  -9.617   3.549   3.549
   40    HE1  TRP   6           HE1      TRP   6  -8.524   4.544   4.544
   41    HE3  TRP   6           HE3      TRP   6 -13.355   6.848   6.848
   42    HZ2  TRP   6           HZ2      TRP   6  -9.327   6.555   6.555
   43    HZ3  TRP   6           HZ3      TRP   6 -13.123   8.290   8.290
   44    HH2  TRP   6           HH2      TRP   6 -11.195   8.182   8.182
   45    H    PHE   7           HN       PHE   7 -11.193   7.917   7.917
   46    HA   PHE   7           HA       PHE   7 -13.852   9.037   9.037
   47   1HB   PHE   7          2HB       PHE   7 -12.426   9.359   9.359
   48   2HB   PHE   7          3HB       PHE   7 -10.993   9.538   9.538
   49    HD1  PHE   7           HD1      PHE   7 -10.601  11.692  11.692
   50    HD2  PHE   7           HD2      PHE   7 -13.718  11.248  11.248
   51    HE1  PHE   7           HE1      PHE   7 -10.774  14.188  14.188
   52    HE2  PHE   7           HE2      PHE   7 -13.891  13.744  13.744
   53   1HZ   PHE   7           HZ       PHE   7 -12.417  15.184  15.184
   54    H    PHE   8           HN       PHE   8 -14.727  10.495  10.495
   55    HA   PHE   8           HA       PHE   8 -12.914  11.611  11.611
   56   1HB   PHE   8          2HB       PHE   8 -15.918  11.018  11.018
   57   2HB   PHE   8          3HB       PHE   8 -15.286  12.022  12.022
   58    HD1  PHE   8           HD2      PHE   8 -13.503  10.999  10.999
   59    HD2  PHE   8           HD1      PHE   8 -15.910   8.686   8.686
   60    HE1  PHE   8           HE2      PHE   8 -13.005   8.945   8.945
   61    HE2  PHE   8           HE1      PHE   8 -15.413   6.633   6.633
   62   1HZ   PHE   8           HZ       PHE   8 -13.966   6.787   6.787
   63    H    LYS   9           HN       LYS   9 -13.464  13.859  13.859
   64    HA   LYS   9           HA       LYS   9 -14.486  15.465  15.465
   65   1HB   LYS   9          2HB       LYS   9 -12.843  17.126  17.126
   66   2HB   LYS   9          3HB       LYS   9 -12.005  15.591  15.591
   67   1HG   LYS   9          2HG       LYS   9 -12.918  16.220  16.220
   68   2HG   LYS   9          3HG       LYS   9 -11.796  17.406  17.406
   69   1HD   LYS   9          2HD       LYS   9 -10.095  15.986  15.986
   70   2HD   LYS   9          3HD       LYS   9 -10.707  14.898  14.898
   71   1HE   LYS   9          2HE       LYS   9 -11.577  13.442  13.442
   72   2HE   LYS   9          3HE       LYS   9 -12.229  14.731  14.731
   73   1HZ   LYS   9          3HZ       LYS   9  -9.496  14.893  14.893
   74   2HZ   LYS   9          1HZ       LYS   9  -9.853  13.305  13.305
   75   3HZ   LYS   9          2HZ       LYS   9 -10.546  14.390  14.390
   76    H    GLY  10           HN       GLY  10 -15.706  17.371  17.371
   77   1HA   GLY  10          1HA       GLY  10 -17.492  18.211  18.211
   78   2HA   GLY  10          2HA       GLY  10 -16.276  18.480  18.480
   79    H    ILE  11           HN       ILE  11 -17.766  15.406  15.406
   80    HA   ILE  11           HA       ILE  11 -18.364  14.736  14.736
   81    HB   ILE  11           HB       ILE  11 -17.087  13.312  13.312
   82   1HG1  ILE  11          2HG1      ILE  11 -18.832  12.192  12.192
   83   2HG1  ILE  11          3HG1      ILE  11 -17.210  12.826  12.826
   84   1HG2  ILE  11          2HG2      ILE  11 -19.438  13.286  13.286
   85   2HG2  ILE  11          3HG2      ILE  11 -19.752  11.954  11.954
   86   3HG2  ILE  11          1HG2      ILE  11 -18.385  11.851  11.851
   87   1HD1  ILE  11          2HD1      ILE  11 -17.287  10.847  10.847
   88   2HD1  ILE  11          3HD1      ILE  11 -17.914  10.170  10.170
   89   3HD1  ILE  11          1HD1      ILE  11 -16.281  10.875  10.875
   90    H    SER  12           HN       SER  12 -20.483  13.798  13.798
   91    HA   SER  12           HA       SER  12 -22.519  15.018  15.018
   92   1HB   SER  12          2HB       SER  12 -23.828  15.366  15.366
   93   2HB   SER  12          3HB       SER  12 -22.202  15.653  15.653
   94    HG   SER  12           HG       SER  12 -22.917  14.249  14.249
   95    H    ARG  13           HN       ARG  13 -24.642  13.791  13.791
   96    HA   ARG  13           HA       ARG  13 -24.086  11.148  11.148
   97   1HB   ARG  13          2HB       ARG  13 -25.836  12.684  12.684
   98   2HB   ARG  13          3HB       ARG  13 -26.820  12.466  12.466
   99   1HG   ARG  13          2HG       ARG  13 -25.876   9.903   9.903
  100   2HG   ARG  13          3HG       ARG  13 -26.850  10.829  10.829
  101   1HD   ARG  13          2HD       ARG  13 -27.890  10.665  10.665
  102   2HD   ARG  13          3HD       ARG  13 -27.919   9.173   9.173
  103    HE   ARG  13           HE       ARG  13 -28.983  11.491  11.491
  104   1HH1  ARG  13          2HH2      ARG  13 -29.741   8.814   8.814
  105   2HH1  ARG  13          1HH2      ARG  13 -31.422   8.788   8.788
  106   1HH2  ARG  13          2HH1      ARG  13 -31.201  11.457  11.457
  107   2HH2  ARG  13          1HH1      ARG  13 -32.258  10.301  10.301
  108    H    LYS  14           HN       LYS  14 -25.292  12.741  12.741
  109    HA   LYS  14           HA       LYS  14 -26.414  10.329  10.329
  110   1HB   LYS  14          2HB       LYS  14 -26.081  13.167  13.167
  111   2HB   LYS  14          3HB       LYS  14 -26.533  11.895  11.895
  112   1HG   LYS  14          2HG       LYS  14 -28.543  11.380  11.380
  113   2HG   LYS  14          3HG       LYS  14 -28.019  12.300  12.300
  114   1HD   LYS  14          2HD       LYS  14 -27.942  14.245  14.245
  115   2HD   LYS  14          3HD       LYS  14 -29.265  13.250  13.250
  116   1HE   LYS  14          2HE       LYS  14 -29.299  13.852  13.852
  117   2HE   LYS  14          3HE       LYS  14 -29.547  15.232  15.232
  118   1HZ   LYS  14          1HZ       LYS  14 -31.029  12.782  12.782
  119   2HZ   LYS  14          2HZ       LYS  14 -31.523  13.770  13.770
  120   3HZ   LYS  14          3HZ       LYS  14 -31.443  14.327  14.327
  121    H    ASP  15           HN       ASP  15 -23.386  12.225  12.225
  122    HA   ASP  15           HA       ASP  15 -22.375  10.841  10.841
  123   1HB   ASP  15          2HB       ASP  15 -21.228  12.591  12.591
  124   2HB   ASP  15          3HB       ASP  15 -20.116  11.699  11.699
  125    H    ALA  16           HN       ALA  16 -22.238  10.460  10.460
  126    HA   ALA  16           HA       ALA  16 -20.268   8.431   8.431
  127   1HB   ALA  16          2HB       ALA  16 -22.371   9.339   9.339
  128   2HB   ALA  16          3HB       ALA  16 -21.151   8.093   8.093
  129   3HB   ALA  16          1HB       ALA  16 -20.640   9.755   9.755
  130    H    GLU  17           HN       GLU  17 -23.786   8.538   8.538
  131    HA   GLU  17           HA       GLU  17 -24.077   5.741   5.741
  132   1HB   GLU  17          2HB       GLU  17 -25.854   8.025   8.025
  133   2HB   GLU  17          3HB       GLU  17 -26.380   6.414   6.414
  134   1HG   GLU  17          2HG       GLU  17 -26.155   5.676   5.676
  135   2HG   GLU  17          3HG       GLU  17 -25.602   7.277   7.277
  136    H    ARG  18           HN       ARG  18 -23.029   7.801   7.801
  137    HA   ARG  18           HA       ARG  18 -23.818   5.918   5.918
  138   1HB   ARG  18          2HB       ARG  18 -23.806   8.486   8.486
  139   2HB   ARG  18          3HB       ARG  18 -22.057   8.393   8.393
  140   1HG   ARG  18          2HG       ARG  18 -23.799   6.727   6.727
  141   2HG   ARG  18          3HG       ARG  18 -23.303   8.356   8.356
  142   1HD   ARG  18          2HD       ARG  18 -20.922   7.078   7.078
  143   2HD   ARG  18          3HD       ARG  18 -21.747   5.872   5.872
  144    HE   ARG  18           HE       ARG  18 -20.591   8.383   8.383
  145   1HH1  ARG  18          1HH2      ARG  18 -23.009   6.189   6.189
  146   2HH1  ARG  18          2HH2      ARG  18 -22.972   5.879   5.879
  147   1HH2  ARG  18          2HH1      ARG  18 -20.640   8.792   8.792
  148   2HH2  ARG  18          1HH1      ARG  18 -21.673   7.857   7.857
  149    H    GLN  19           HN       GLN  19 -21.055   6.769   6.769
  150    HA   GLN  19           HA       GLN  19 -19.146   5.540   5.540
  151   1HB   GLN  19          2HB       GLN  19 -19.056   6.636   6.636
  152   2HB   GLN  19          3HB       GLN  19 -17.676   5.817   5.817
  153   1HG   GLN  19          2HG       GLN  19 -17.982   7.470   7.470
  154   2HG   GLN  19          3HG       GLN  19 -19.001   8.392   8.392
  155   1HE2  GLN  19          2HE2      GLN  19 -16.431   9.445   9.445
  156   2HE2  GLN  19          1HE2      GLN  19 -18.116   9.072   9.072
  157    H    LEU  20           HN       LEU  20 -21.273   4.589   4.589
  158    HA   LEU  20           HA       LEU  20 -19.840   2.134   2.134
  159   1HB   LEU  20          2HB       LEU  20 -22.274   3.466   3.466
  160   2HB   LEU  20          3HB       LEU  20 -22.005   1.758   1.758
  161    HG   LEU  20           HG       LEU  20 -20.015   3.932   3.932
  162   1HD1  LEU  20          1HD1      LEU  20 -22.206   2.645   2.645
  163   2HD1  LEU  20          2HD1      LEU  20 -20.756   3.344   3.344
  164   3HD1  LEU  20          3HD1      LEU  20 -21.831   4.372   4.372
  165   1HD2  LEU  20          3HD2      LEU  20 -20.086   0.954   0.954
  166   2HD2  LEU  20          1HD2      LEU  20 -18.785   1.965   1.965
  167   3HD2  LEU  20          2HD2      LEU  20 -19.154   2.031   2.031
  168    H    LEU  21           HN       LEU  21 -22.850   3.258   3.258
  169    HA   LEU  21           HA       LEU  21 -23.614   0.605   0.605
  170   1HB   LEU  21          2HB       LEU  21 -24.575   3.373   3.373
  171   2HB   LEU  21          3HB       LEU  21 -25.151   2.018   2.018
  172    HG   LEU  21           HG       LEU  21 -25.365   2.144   2.144
  173   1HD1  LEU  21          1HD1      LEU  21 -26.609   4.008   4.008
  174   2HD1  LEU  21          2HD1      LEU  21 -27.442   2.903   2.903
  175   3HD1  LEU  21          3HD1      LEU  21 -27.718   2.767   2.767
  176   1HD2  LEU  21          2HD2      LEU  21 -26.374   0.256   0.256
  177   2HD2  LEU  21          3HD2      LEU  21 -25.561  -0.092  -0.092
  178   3HD2  LEU  21          1HD2      LEU  21 -27.255   0.456   0.456
  179    H    ALA  22           HN       ALA  22 -21.206   2.789   2.789
  180    HA   ALA  22           HA       ALA  22 -21.294   2.277   2.277
  181   1HB   ALA  22          3HB       ALA  22 -19.425   3.461   3.461
  182   2HB   ALA  22          1HB       ALA  22 -18.684   2.857   2.857
  183   3HB   ALA  22          2HB       ALA  22 -19.967   4.089   4.089
  184    HA   PRO  23           HA       PRO  23 -19.508  -1.654  -1.654
  185   1HB   PRO  23          2HB       PRO  23 -18.174  -1.569  -1.569
  186   2HB   PRO  23          3HB       PRO  23 -19.907  -1.801  -1.801
  187   1HG   PRO  23          2HG       PRO  23 -18.411   0.619   0.619
  188   2HG   PRO  23          3HG       PRO  23 -20.098   0.229   0.229
  189   1HD   PRO  23          2HD       PRO  23 -19.053   2.047   2.047
  190   2HD   PRO  23          3HD       PRO  23 -20.727   1.568   1.568
  191    H    GLY  24           HN       GLY  24 -17.440   1.073   1.073
  192   1HA   GLY  24          1HA       GLY  24 -14.941  -0.062  -0.062
  193   2HA   GLY  24          2HA       GLY  24 -15.391   1.365   1.365
  194    H    ASN  25           HN       ASN  25 -17.388  -0.015  -0.015
  195    HA   ASN  25           HA       ASN  25 -15.470  -1.491  -1.491
  196   1HB   ASN  25          2HB       ASN  25 -17.983   0.040   0.040
  197   2HB   ASN  25          3HB       ASN  25 -16.903  -0.802  -0.802
  198   1HD2  ASN  25          2HD2      ASN  25 -16.100   2.938   2.938
  199   2HD2  ASN  25          1HD2      ASN  25 -17.518   2.031   2.031
  200    H    MET  26           HN       MET  26 -17.174  -2.761  -2.761
  201    HA   MET  26           HA       MET  26 -19.306  -3.975  -3.975
  202   1HB   MET  26          2HB       MET  26 -18.438  -6.271  -6.271
  203   2HB   MET  26          3HB       MET  26 -17.244  -5.337  -5.337
  204   1HG   MET  26          2HG       MET  26 -16.373  -4.779  -4.779
  205   2HG   MET  26          3HG       MET  26 -17.178  -6.292  -6.292
  206   1HE   MET  26          2HE       MET  26 -14.463  -4.488  -4.488
  207   2HE   MET  26          3HE       MET  26 -13.208  -5.751  -5.751
  208   3HE   MET  26          1HE       MET  26 -13.769  -5.069  -5.069
  209    H    LEU  27           HN       LEU  27 -20.740  -5.330  -5.330
  210    HA   LEU  27           HA       LEU  27 -21.502  -4.142  -4.142
  211   1HB   LEU  27          2HB       LEU  27 -22.001  -6.609  -6.609
  212   2HB   LEU  27          3HB       LEU  27 -21.899  -6.934  -6.934
  213    HG   LEU  27           HG       LEU  27 -23.710  -4.859  -4.859
  214   1HD1  LEU  27          3HD1      LEU  27 -24.041  -7.537  -7.537
  215   2HD1  LEU  27          1HD1      LEU  27 -24.876  -7.238  -7.238
  216   3HD1  LEU  27          2HD1      LEU  27 -25.378  -6.363  -6.363
  217   1HD2  LEU  27          3HD2      LEU  27 -22.782  -4.896  -4.896
  218   2HD2  LEU  27          1HD2      LEU  27 -24.313  -4.164  -4.164
  219   3HD2  LEU  27          2HD2      LEU  27 -24.303  -5.811  -5.811
  220    H    GLY  28           HN       GLY  28 -20.775  -3.873  -3.873
  221   1HA   GLY  28          1HA       GLY  28 -19.784  -4.906  -4.906
  222   2HA   GLY  28          2HA       GLY  28 -18.598  -5.663  -5.663
  223    H    SER  29           HN       SER  29 -18.877  -2.812  -2.812
  224    HA   SER  29           HA       SER  29 -16.511  -1.818  -1.818
  225   1HB   SER  29          2HB       SER  29 -18.366  -0.735  -0.735
  226   2HB   SER  29          3HB       SER  29 -16.890   0.080   0.080
  227    HG   SER  29           HG       SER  29 -16.011  -2.323  -2.323
  228    H    PHE  30           HN       PHE  30 -16.223  -0.026  -0.026
  229    HA   PHE  30           HA       PHE  30 -18.710   1.258   1.258
  230   1HB   PHE  30          2HB       PHE  30 -17.843   1.097   1.097
  231   2HB   PHE  30          3HB       PHE  30 -17.341  -0.426  -0.426
  232    HD1  PHE  30           HD2      PHE  30 -14.977  -0.706  -0.706
  233    HD2  PHE  30           HD1      PHE  30 -16.245   2.708   2.708
  234    HE1  PHE  30           HE2      PHE  30 -12.589  -0.182  -0.182
  235    HE2  PHE  30           HE1      PHE  30 -13.857   3.232   3.232
  236   1HZ   PHE  30           HZ       PHE  30 -12.057   1.781   1.781
  237    H    MET  31           HN       MET  31 -18.423   3.494   3.494
  238    HA   MET  31           HA       MET  31 -15.973   4.799   4.799
  239   1HB   MET  31          2HB       MET  31 -16.785   6.217   6.217
  240   2HB   MET  31          3HB       MET  31 -17.340   4.614   4.614
  241   1HG   MET  31          2HG       MET  31 -19.520   5.259   5.259
  242   2HG   MET  31          3HG       MET  31 -18.948   6.906   6.906
  243   1HE   MET  31          1HE       MET  31 -17.242   6.117   6.117
  244   2HE   MET  31          2HE       MET  31 -18.334   6.724   6.724
  245   3HE   MET  31          3HE       MET  31 -18.003   7.717   7.717
  246    H    ILE  32           HN       ILE  32 -15.747   6.740   6.740
  247    HA   ILE  32           HA       ILE  32 -18.125   7.509   7.509
  248    HB   ILE  32           HB       ILE  32 -15.227   7.479   7.479
  249   1HG1  ILE  32          2HG1      ILE  32 -17.481   5.913   5.913
  250   2HG1  ILE  32          3HG1      ILE  32 -16.606   5.284   5.284
  251   1HG2  ILE  32          2HG2      ILE  32 -17.658   8.756   8.756
  252   2HG2  ILE  32          3HG2      ILE  32 -16.492   7.993   7.993
  253   3HG2  ILE  32          1HG2      ILE  32 -15.959   9.289   9.289
  254   1HD1  ILE  32          1HD1      ILE  32 -14.467   5.979   5.979
  255   2HD1  ILE  32          2HD1      ILE  32 -15.631   5.790   5.790
  256   3HD1  ILE  32          3HD1      ILE  32 -15.295   4.422   4.422
  257    H    ARG  33           HN       ARG  33 -18.368   9.792   9.792
  258    HA   ARG  33           HA       ARG  33 -16.575  11.538  11.538
  259   1HB   ARG  33          2HB       ARG  33 -18.369  12.641  12.641
  260   2HB   ARG  33          3HB       ARG  33 -18.246  10.950  10.950
  261   1HG   ARG  33          2HG       ARG  33 -20.070  10.826  10.826
  262   2HG   ARG  33          3HG       ARG  33 -20.455  12.389  12.389
  263   1HD   ARG  33          2HD       ARG  33 -20.278  10.969  10.969
  264   2HD   ARG  33          3HD       ARG  33 -20.697   9.652   9.652
  265    HE   ARG  33           HE       ARG  33 -22.423  11.893  11.893
  266   1HH1  ARG  33          2HH2      ARG  33 -21.869   9.363   9.363
  267   2HH1  ARG  33          1HH2      ARG  33 -23.515   9.332   9.332
  268   1HH2  ARG  33          2HH1      ARG  33 -24.595  11.852  11.852
  269   2HH2  ARG  33          1HH1      ARG  33 -25.076  10.757  10.757
  270    H    ASP  34           HN       ASP  34 -16.856  13.817  13.817
  271    HA   ASP  34           HA       ASP  34 -18.090  13.909  13.909
  272   1HB   ASP  34          2HB       ASP  34 -15.706  14.759  14.759
  273   2HB   ASP  34          3HB       ASP  34 -16.496  16.104  16.104
  274    H    SER  35           HN       SER  35 -19.369  15.987  15.987
  275    HA   SER  35           HA       SER  35 -21.187  16.490  16.490
  276   1HB   SER  35          2HB       SER  35 -22.076  16.046  16.046
  277   2HB   SER  35          3HB       SER  35 -21.158  17.379  17.379
  278    HG   SER  35           HG       SER  35 -23.615  17.410  17.410
  279    H    GLU  36           HN       GLU  36 -21.490  18.494  18.494
  280    HA   GLU  36           HA       GLU  36 -19.307  20.342  20.342
  281   1HB   GLU  36          2HB       GLU  36 -20.353  21.377  21.377
  282   2HB   GLU  36          3HB       GLU  36 -19.529  19.836  19.836
  283   1HG   GLU  36          2HG       GLU  36 -21.580  18.607  18.607
  284   2HG   GLU  36          3HG       GLU  36 -22.517  19.939  19.939
  285    H    THR  37           HN       THR  37 -22.654  19.915  19.915
  286    HA   THR  37           HA       THR  37 -23.083  22.789  22.789
  287    HB   THR  37           HB       THR  37 -25.442  21.876  21.876
  288    HG1  THR  37           HG1      THR  37 -25.646  19.617  19.617
  289   1HG2  THR  37          3HG2      THR  37 -24.120  21.314  21.314
  290   2HG2  THR  37          1HG2      THR  37 -25.851  21.010  21.010
  291   3HG2  THR  37          2HG2      THR  37 -25.203  22.662  22.662
  292    H    THR  38           HN       THR  38 -23.691  19.836  19.836
  293    HA   THR  38           HA       THR  38 -23.229  21.505  21.505
  294    HB   THR  38           HB       THR  38 -24.349  18.687  18.687
  295    HG1  THR  38           HG1      THR  38 -26.281  19.864  19.864
  296   1HG2  THR  38          3HG2      THR  38 -23.902  20.368  20.368
  297   2HG2  THR  38          1HG2      THR  38 -25.232  19.189  19.189
  298   3HG2  THR  38          2HG2      THR  38 -23.545  18.642  18.642
  299    H    LYS  39           HN       LYS  39 -20.902  21.752  21.752
  300    HA   LYS  39           HA       LYS  39 -19.138  19.664  19.664
  301   1HB   LYS  39          2HB       LYS  39 -18.827  22.453  22.453
  302   2HB   LYS  39          3HB       LYS  39 -17.479  21.350  21.350
  303   1HG   LYS  39          2HG       LYS  39 -19.107  21.445  21.445
  304   2HG   LYS  39          3HG       LYS  39 -18.589  23.054  23.054
  305   1HD   LYS  39          2HD       LYS  39 -16.432  21.045  21.045
  306   2HD   LYS  39          3HD       LYS  39 -17.046  21.172  21.172
  307   1HE   LYS  39          2HE       LYS  39 -16.795  23.853  23.853
  308   2HE   LYS  39          3HE       LYS  39 -15.317  23.010  23.010
  309   1HZ   LYS  39          3HZ       LYS  39 -15.303  22.242  22.242
  310   2HZ   LYS  39          1HZ       LYS  39 -16.483  23.331  23.331
  311   3HZ   LYS  39          2HZ       LYS  39 -15.022  23.835  23.835
  312    H    GLY  40           HN       GLY  40 -18.008  18.353  18.353
  313   1HA   GLY  40          1HA       GLY  40 -17.293  17.887  17.887
  314   2HA   GLY  40          2HA       GLY  40 -18.767  18.611  18.611
  315    H    SER  41           HN       SER  41 -20.224  17.238  17.238
  316    HA   SER  41           HA       SER  41 -20.477  14.690  14.690
  317   1HB   SER  41          2HB       SER  41 -22.433  16.185  16.185
  318   2HB   SER  41          3HB       SER  41 -22.732  14.587  14.587
  319    HG   SER  41           HG       SER  41 -22.595  17.106  17.106
  320    H    TYR  42           HN       TYR  42 -20.578  12.711  12.711
  321    HA   TYR  42           HA       TYR  42 -19.574  13.050  13.050
  322   1HB   TYR  42          2HB       TYR  42 -18.876  11.299  11.299
  323   2HB   TYR  42          3HB       TYR  42 -18.699  10.579  10.579
  324    HD1  TYR  42           HD2      TYR  42 -17.011  11.428  11.428
  325    HD2  TYR  42           HD1      TYR  42 -17.376  13.056  13.056
  326    HE1  TYR  42           HE2      TYR  42 -14.723  12.515  12.515
  327    HE2  TYR  42           HE1      TYR  42 -15.087  14.137  14.137
  328    HH   TYR  42           HH       TYR  42 -13.390  14.094  14.094
  329    H    SER  43           HN       SER  43 -20.094  11.209  11.209
  330    HA   SER  43           HA       SER  43 -22.416   9.718   9.718
  331   1HB   SER  43          2HB       SER  43 -22.325  11.144  11.144
  332   2HB   SER  43          3HB       SER  43 -23.676  10.255  10.255
  333    HG   SER  43           HG       SER  43 -23.003  12.118  12.118
  334    H    LEU  44           HN       LEU  44 -22.138   7.567   7.567
  335    HA   LEU  44           HA       LEU  44 -20.040   6.923   6.923
  336   1HB   LEU  44          2HB       LEU  44 -19.623   5.928   5.928
  337   2HB   LEU  44          3HB       LEU  44 -21.300   5.482   5.482
  338    HG   LEU  44           HG       LEU  44 -21.105   3.800   3.800
  339   1HD1  LEU  44          3HD1      LEU  44 -18.852   5.224   5.224
  340   2HD1  LEU  44          1HD1      LEU  44 -18.190   3.726   3.726
  341   3HD1  LEU  44          2HD1      LEU  44 -19.369   3.643   3.643
  342   1HD2  LEU  44          1HD2      LEU  44 -20.099   3.682   3.682
  343   2HD2  LEU  44          2HD2      LEU  44 -20.620   2.329   2.329
  344   3HD2  LEU  44          3HD2      LEU  44 -18.912   2.830   2.830
  345    H    SER  45           HN       SER  45 -20.409   5.238   5.238
  346    HA   SER  45           HA       SER  45 -23.178   4.623   4.623
  347   1HB   SER  45          2HB       SER  45 -21.504   5.868   5.868
  348   2HB   SER  45          3HB       SER  45 -23.214   5.488   5.488
  349    HG   SER  45           HG       SER  45 -21.874   7.597   7.597
  350    H    VAL  46           HN       VAL  46 -23.233   2.449   2.449
  351    HA   VAL  46           HA       VAL  46 -20.904   1.317   1.317
  352    HB   VAL  46           HB       VAL  46 -22.546  -0.019  -0.019
  353   1HG1  VAL  46          1HG1      VAL  46 -20.316  -0.861  -0.861
  354   2HG1  VAL  46          2HG1      VAL  46 -20.220  -1.380  -1.380
  355   3HG1  VAL  46          3HG1      VAL  46 -21.639  -1.812  -1.812
  356   1HG2  VAL  46          2HG2      VAL  46 -20.484   1.963   1.963
  357   2HG2  VAL  46          3HG2      VAL  46 -21.368   1.086   1.086
  358   3HG2  VAL  46          1HG2      VAL  46 -19.871   0.402   0.402
  359    H    ARG  47           HN       ARG  47 -21.405  -0.623  -0.623
  360    HA   ARG  47           HA       ARG  47 -23.945  -0.225  -0.225
  361   1HB   ARG  47          2HB       ARG  47 -21.747  -0.570  -0.570
  362   2HB   ARG  47          3HB       ARG  47 -21.745  -2.231  -2.231
  363   1HG   ARG  47          2HG       ARG  47 -23.055  -2.781  -2.781
  364   2HG   ARG  47          3HG       ARG  47 -24.345  -1.824  -1.824
  365   1HD   ARG  47          2HD       ARG  47 -24.055  -0.108  -0.108
  366   2HD   ARG  47          3HD       ARG  47 -22.308  -0.167  -0.167
  367    HE   ARG  47           HE       ARG  47 -23.984  -1.640  -1.640
  368   1HH1  ARG  47          2HH2      ARG  47 -20.809  -1.342  -1.342
  369   2HH1  ARG  47          1HH2      ARG  47 -19.991  -2.178  -2.178
  370   1HH2  ARG  47          2HH1      ARG  47 -22.905  -2.743  -2.743
  371   2HH2  ARG  47          1HH1      ARG  47 -21.191  -2.980  -2.980
  372    H    ASP  48           HN       ASP  48 -25.626  -1.812  -1.812
  373    HA   ASP  48           HA       ASP  48 -25.154  -4.326  -4.326
  374   1HB   ASP  48          2HB       ASP  48 -25.931  -2.941  -2.941
  375   2HB   ASP  48          3HB       ASP  48 -27.246  -2.297  -2.297
  376    H    TYR  49           HN       TYR  49 -27.193  -5.787  -5.787
  377    HA   TYR  49           HA       TYR  49 -28.763  -4.879  -4.879
  378   1HB   TYR  49          2HB       TYR  49 -26.722  -6.470  -6.470
  379   2HB   TYR  49          3HB       TYR  49 -27.572  -7.670  -7.670
  380    HD1  TYR  49           HD1      TYR  49 -29.865  -8.467  -8.467
  381    HD2  TYR  49           HD2      TYR  49 -27.206  -6.170  -6.170
  382    HE1  TYR  49           HE1      TYR  49 -31.109  -9.228  -9.228
  383    HE2  TYR  49           HE2      TYR  49 -28.459  -6.938  -6.938
  384    HH   TYR  49           HH       TYR  49 -30.651  -9.506  -9.506
  385    H    ASP  50           HN       ASP  50 -30.878  -5.825  -5.825
  386    HA   ASP  50           HA       ASP  50 -31.667  -7.313  -7.313
  387   1HB   ASP  50          2HB       ASP  50 -32.388  -4.679  -4.679
  388   2HB   ASP  50          3HB       ASP  50 -33.728  -5.545  -5.545
  389    HA   PRO  51           HA       PRO  51 -33.556  -9.815  -9.815
  390   1HB   PRO  51          2HB       PRO  51 -35.260 -11.305 -11.305
  391   2HB   PRO  51          3HB       PRO  51 -33.550 -11.657 -11.657
  392   1HG   PRO  51          2HG       PRO  51 -34.998 -10.431 -10.431
  393   2HG   PRO  51          3HG       PRO  51 -33.410 -11.172 -11.172
  394   1HD   PRO  51          2HD       PRO  51 -33.994  -8.364  -8.364
  395   2HD   PRO  51          3HD       PRO  51 -32.410  -9.103  -9.103
  396    H    ARG  52           HN       ARG  52 -35.182  -7.440  -7.440
  397    HA   ARG  52           HA       ARG  52 -37.605  -7.962  -7.962
  398   1HB   ARG  52          2HB       ARG  52 -36.868  -6.220  -6.220
  399   2HB   ARG  52          3HB       ARG  52 -38.260  -5.761  -5.761
  400   1HG   ARG  52          2HG       ARG  52 -39.396  -7.201  -7.201
  401   2HG   ARG  52          3HG       ARG  52 -38.766  -8.439  -8.439
  402   1HD   ARG  52          2HD       ARG  52 -37.450  -9.308  -9.308
  403   2HD   ARG  52          3HD       ARG  52 -36.765  -7.739  -7.739
  404    HE   ARG  52           HE       ARG  52 -38.886  -9.068  -9.068
  405   1HH1  ARG  52          2HH2      ARG  52 -37.769  -5.878  -5.878
  406   2HH1  ARG  52          1HH2      ARG  52 -38.535  -5.063  -5.063
  407   1HH2  ARG  52          2HH1      ARG  52 -39.897  -7.993  -7.993
  408   2HH2  ARG  52          1HH1      ARG  52 -39.753  -6.274  -6.274
  409    H    GLN  53           HN       GLN  53 -35.462  -5.115  -5.115
  410    HA   GLN  53           HA       GLN  53 -36.421  -3.756  -3.756
  411   1HB   GLN  53          2HB       GLN  53 -34.425  -3.089  -3.089
  412   2HB   GLN  53          3HB       GLN  53 -34.602  -2.053  -2.053
  413   1HG   GLN  53          2HG       GLN  53 -37.225  -2.765  -2.765
  414   2HG   GLN  53          3HG       GLN  53 -36.207  -2.043  -2.043
  415   1HE2  GLN  53          2HE2      GLN  53 -37.526   0.089   0.089
  416   2HE2  GLN  53          1HE2      GLN  53 -37.608  -1.640  -1.640
  417    H    GLY  54           HN       GLY  54 -33.132  -4.797  -4.797
  418   1HA   GLY  54          1HA       GLY  54 -31.964  -6.233  -6.233
  419   2HA   GLY  54          2HA       GLY  54 -32.296  -4.940  -4.940
  420    H    ASP  55           HN       ASP  55 -30.333  -3.990  -3.990
  421    HA   ASP  55           HA       ASP  55 -28.311  -3.856  -3.856
  422   1HB   ASP  55          2HB       ASP  55 -28.803  -2.555  -2.555
  423   2HB   ASP  55          3HB       ASP  55 -27.422  -2.062  -2.062
  424    H    THR  56           HN       THR  56 -28.476  -2.527  -2.527
  425    HA   THR  56           HA       THR  56 -29.473   0.207   0.207
  426    HB   THR  56           HB       THR  56 -30.899   0.026   0.026
  427    HG1  THR  56           HG1      THR  56 -29.642  -0.780  -0.780
  428   1HG2  THR  56          2HG2      THR  56 -31.239  -1.993  -1.993
  429   2HG2  THR  56          3HG2      THR  56 -30.901  -2.951  -2.951
  430   3HG2  THR  56          1HG2      THR  56 -32.267  -1.811  -1.811
  431    H    VAL  57           HN       VAL  57 -28.810   1.672   1.672
  432    HA   VAL  57           HA       VAL  57 -26.084   0.916   0.916
  433    HB   VAL  57           HB       VAL  57 -27.041   3.663   3.663
  434   1HG1  VAL  57          3HG1      VAL  57 -24.429   2.553   2.553
  435   2HG1  VAL  57          1HG1      VAL  57 -24.434   3.930   3.930
  436   3HG1  VAL  57          2HG1      VAL  57 -25.265   4.062   4.062
  437   1HG2  VAL  57          3HG2      VAL  57 -26.862   1.806   1.806
  438   2HG2  VAL  57          1HG2      VAL  57 -26.086   3.382   3.382
  439   3HG2  VAL  57          2HG2      VAL  57 -25.106   1.988   1.988
  440    H    LYS  58           HN       LYS  58 -25.803   0.891   0.891
  441    HA   LYS  58           HA       LYS  58 -27.924   2.040   2.040
  442   1HB   LYS  58          2HB       LYS  58 -25.787  -0.022  -0.022
  443   2HB   LYS  58          3HB       LYS  58 -26.440   0.809   0.809
  444   1HG   LYS  58          2HG       LYS  58 -28.319  -0.369  -0.369
  445   2HG   LYS  58          3HG       LYS  58 -27.598  -1.407  -1.407
  446   1HD   LYS  58          2HD       LYS  58 -29.547  -0.769  -0.769
  447   2HD   LYS  58          3HD       LYS  58 -28.442   0.458   0.458
  448   1HE   LYS  58          2HE       LYS  58 -29.453   2.153   2.153
  449   2HE   LYS  58          3HE       LYS  58 -29.812   1.116   1.116
  450   1HZ   LYS  58          1HZ       LYS  58 -31.496   0.057   0.057
  451   2HZ   LYS  58          2HZ       LYS  58 -31.281   1.314   1.314
  452   3HZ   LYS  58          3HZ       LYS  58 -31.835   1.576   1.576
  453    H    HIS  59           HN       HIS  59 -27.553   3.584   3.584
  454    HA   HIS  59           HA       HIS  59 -24.913   4.823   4.823
  455   1HB   HIS  59          2HB       HIS  59 -27.442   6.473   6.473
  456   2HB   HIS  59          3HB       HIS  59 -25.788   7.016   7.016
  457    HD1  HIS  59           HD1      HIS  59 -25.061   7.372   7.372
  458    HD2  HIS  59           HD2      HIS  59 -28.254   4.666   4.666
  459    HE1  HIS  59           HE1      HIS  59 -25.716   6.789   6.789
  460    H    TYR  60           HN       TYR  60 -24.152   5.393   5.393
  461    HA   TYR  60           HA       TYR  60 -26.107   5.290   5.290
  462   1HB   TYR  60          2HB       TYR  60 -23.185   4.338   4.338
  463   2HB   TYR  60          3HB       TYR  60 -24.398   4.005   4.005
  464    HD1  TYR  60           HD2      TYR  60 -23.471   3.281   3.281
  465    HD2  TYR  60           HD1      TYR  60 -25.750   2.067   2.067
  466    HE1  TYR  60           HE2      TYR  60 -24.034   1.084   1.084
  467    HE2  TYR  60           HE1      TYR  60 -26.305  -0.126  -0.126
  468    HH   TYR  60           HH       TYR  60 -25.931  -1.397  -1.397
  469    H    LYS  61           HN       LYS  61 -26.082   7.073   7.073
  470    HA   LYS  61           HA       LYS  61 -24.223   9.144   9.144
  471   1HB   LYS  61          2HB       LYS  61 -26.772   9.055   9.055
  472   2HB   LYS  61          3HB       LYS  61 -25.890   9.314   9.314
  473   1HG   LYS  61          2HG       LYS  61 -24.597  11.117  11.117
  474   2HG   LYS  61          3HG       LYS  61 -26.158  11.110  11.110
  475   1HD   LYS  61          2HD       LYS  61 -27.234  11.494  11.494
  476   2HD   LYS  61          3HD       LYS  61 -25.624  11.694  11.694
  477   1HE   LYS  61          2HE       LYS  61 -25.476  13.827  13.827
  478   2HE   LYS  61          3HE       LYS  61 -25.932  13.338  13.338
  479   1HZ   LYS  61          1HZ       LYS  61 -28.077  13.317  13.317
  480   2HZ   LYS  61          2HZ       LYS  61 -27.457  14.798  14.798
  481   3HZ   LYS  61          3HZ       LYS  61 -28.041  13.896  13.896
  482    H    ILE  62           HN       ILE  62 -22.622  10.057  10.057
  483    HA   ILE  62           HA       ILE  62 -21.734   8.172   8.172
  484    HB   ILE  62           HB       ILE  62 -20.145   9.654   9.654
  485   1HG1  ILE  62          2HG1      ILE  62 -19.798   6.770   6.770
  486   2HG1  ILE  62          3HG1      ILE  62 -21.202   7.230   7.230
  487   1HG2  ILE  62          2HG2      ILE  62 -19.147  10.000  10.000
  488   2HG2  ILE  62          3HG2      ILE  62 -19.007   8.233   8.233
  489   3HG2  ILE  62          1HG2      ILE  62 -18.113   9.085   9.085
  490   1HD1  ILE  62          1HD1      ILE  62 -18.383   8.099   8.099
  491   2HD1  ILE  62          2HD1      ILE  62 -19.118   6.588   6.588
  492   3HD1  ILE  62          3HD1      ILE  62 -19.849   8.156   8.156
  493    H    ARG  63           HN       ARG  63 -21.935   9.041   9.041
  494    HA   ARG  63           HA       ARG  63 -21.962  11.932  11.932
  495   1HB   ARG  63          2HB       ARG  63 -22.898   9.751   9.751
  496   2HB   ARG  63          3HB       ARG  63 -22.839  11.438  11.438
  497   1HG   ARG  63          2HG       ARG  63 -24.217  10.847  10.847
  498   2HG   ARG  63          3HG       ARG  63 -25.025  10.271  10.271
  499   1HD   ARG  63          2HD       ARG  63 -24.840  12.599  12.599
  500   2HD   ARG  63          3HD       ARG  63 -24.138  13.150  13.150
  501    HE   ARG  63           HE       ARG  63 -26.270  13.145  13.145
  502   1HH1  ARG  63          2HH2      ARG  63 -26.310  11.118  11.118
  503   2HH1  ARG  63          1HH2      ARG  63 -28.022  10.861  10.861
  504   1HH2  ARG  63          2HH1      ARG  63 -28.529  12.806  12.806
  505   2HH2  ARG  63          1HH1      ARG  63 -29.293  11.827  11.827
  506    H    THR  64           HN       THR  64 -20.829  12.962  12.962
  507    HA   THR  64           HA       THR  64 -18.395  11.436  11.436
  508    HB   THR  64           HB       THR  64 -17.275  13.661  13.661
  509    HG1  THR  64           HG1      THR  64 -18.628  15.429  15.429
  510   1HG2  THR  64          3HG2      THR  64 -18.808  12.750  12.750
  511   2HG2  THR  64          1HG2      THR  64 -18.183  14.416  14.416
  512   3HG2  THR  64          2HG2      THR  64 -17.063  13.050  13.050
  513    H    LEU  65           HN       LEU  65 -17.467  11.745  11.745
  514    HA   LEU  65           HA       LEU  65 -19.581  12.215  12.215
  515   1HB   LEU  65          2HB       LEU  65 -16.887  10.867  10.867
  516   2HB   LEU  65          3HB       LEU  65 -17.997  11.091  11.091
  517    HG   LEU  65           HG       LEU  65 -18.961   9.673   9.673
  518   1HD1  LEU  65          1HD1      LEU  65 -17.082   8.536   8.536
  519   2HD1  LEU  65          2HD1      LEU  65 -18.196   7.515   7.515
  520   3HD1  LEU  65          3HD1      LEU  65 -16.956   8.484   8.484
  521   1HD2  LEU  65          3HD2      LEU  65 -19.968  10.229  10.229
  522   2HD2  LEU  65          1HD2      LEU  65 -20.754   9.368   9.368
  523   3HD2  LEU  65          2HD2      LEU  65 -19.774   8.467   8.467
  524    H    ASP  66           HN       ASP  66 -19.314  13.655  13.655
  525    HA   ASP  66           HA       ASP  66 -18.344  16.071  16.071
  526   1HB   ASP  66          2HB       ASP  66 -18.628  14.586  14.586
  527   2HB   ASP  66          3HB       ASP  66 -18.021  16.230  16.230
  528    H    ASN  67           HN       ASN  67 -16.654  13.430  13.430
  529    HA   ASN  67           HA       ASN  67 -14.151  14.730  14.730
  530   1HB   ASN  67          2HB       ASN  67 -15.173  13.881  13.881
  531   2HB   ASN  67          3HB       ASN  67 -13.523  13.394  13.394
  532   1HD2  ASN  67          2HD2      ASN  67 -13.731  16.820  16.820
  533   2HD2  ASN  67          1HD2      ASN  67 -14.442  15.279  15.279
  534    H    GLY  68           HN       GLY  68 -14.426  13.059  13.059
  535   1HA   GLY  68          1HA       GLY  68 -13.005  10.650  10.650
  536   2HA   GLY  68          2HA       GLY  68 -14.686  10.360  10.360
  537    H    GLY  69           HN       GLY  69 -14.769   9.600   9.600
  538   1HA   GLY  69          1HA       GLY  69 -13.340  11.176  11.176
  539   2HA   GLY  69          2HA       GLY  69 -13.303   9.424   9.424
  540    H    PHE  70           HN       PHE  70 -14.896   8.312   8.312
  541    HA   PHE  70           HA       PHE  70 -17.441   9.667   9.667
  542   1HB   PHE  70          2HB       PHE  70 -15.945   8.206   8.206
  543   2HB   PHE  70          3HB       PHE  70 -17.276   9.334   9.334
  544    HD1  PHE  70           HD2      PHE  70 -13.753   9.239   9.239
  545    HD2  PHE  70           HD1      PHE  70 -16.808  11.499  11.499
  546    HE1  PHE  70           HE2      PHE  70 -12.121  11.101  11.101
  547    HE2  PHE  70           HE1      PHE  70 -15.176  13.361  13.361
  548   1HZ   PHE  70           HZ       PHE  70 -12.852  13.140  13.140
  549    H    TYR  71           HN       TYR  71 -19.194   8.275   8.275
  550    HA   TYR  71           HA       TYR  71 -18.585   5.406   5.406
  551   1HB   TYR  71          2HB       TYR  71 -19.884   5.125   5.125
  552   2HB   TYR  71          3HB       TYR  71 -18.835   6.491   6.491
  553    HD1  TYR  71           HD1      TYR  71 -19.792   8.853   8.853
  554    HD2  TYR  71           HD2      TYR  71 -22.237   5.343   5.343
  555    HE1  TYR  71           HE1      TYR  71 -21.825  10.274  10.274
  556    HE2  TYR  71           HE2      TYR  71 -24.262   6.776   6.776
  557    HH   TYR  71           HH       TYR  71 -25.038   8.801   8.801
  558    H    ILE  72           HN       ILE  72 -20.367   4.060   4.060
  559    HA   ILE  72           HA       ILE  72 -22.438   5.618   5.618
  560    HB   ILE  72           HB       ILE  72 -21.184   2.959   2.959
  561   1HG1  ILE  72          2HG1      ILE  72 -20.993   5.724   5.724
  562   2HG1  ILE  72          3HG1      ILE  72 -19.697   4.720   4.720
  563   1HG2  ILE  72          2HG2      ILE  72 -23.686   3.159   3.159
  564   2HG2  ILE  72          3HG2      ILE  72 -23.272   4.416   4.416
  565   3HG2  ILE  72          1HG2      ILE  72 -22.654   2.759   2.759
  566   1HD1  ILE  72          2HD1      ILE  72 -20.722   3.017   3.017
  567   2HD1  ILE  72          3HD1      ILE  72 -21.119   4.582   4.582
  568   3HD1  ILE  72          1HD1      ILE  72 -19.430   4.191   4.191
  569    H    SER  73           HN       SER  73 -21.723   2.611   2.611
  570    HA   SER  73           HA       SER  73 -24.567   2.570   2.570
  571   1HB   SER  73          2HB       SER  73 -23.717   0.582   0.582
  572   2HB   SER  73          3HB       SER  73 -22.606   0.233   0.233
  573    HG   SER  73           HG       SER  73 -25.498   0.218   0.218
  574    HA   PRO  74           HA       PRO  74 -23.289   3.158   3.158
  575   1HB   PRO  74          2HB       PRO  74 -25.544   2.394   2.394
  576   2HB   PRO  74          3HB       PRO  74 -25.357   3.972   3.972
  577   1HG   PRO  74          2HG       PRO  74 -26.955   1.666   1.666
  578   2HG   PRO  74          3HG       PRO  74 -27.082   3.350   3.350
  579   1HD   PRO  74          2HD       PRO  74 -25.884   1.231   1.231
  580   2HD   PRO  74          3HD       PRO  74 -25.908   2.934   2.934
  581    H    ARG  75           HN       ARG  75 -21.900   1.132   1.132
  582    HA   ARG  75           HA       ARG  75 -22.233  -0.723  -0.723
  583   1HB   ARG  75          2HB       ARG  75 -21.564  -1.521  -1.521
  584   2HB   ARG  75          3HB       ARG  75 -21.645  -2.622  -2.622
  585   1HG   ARG  75          2HG       ARG  75 -24.057  -0.896  -0.896
  586   2HG   ARG  75          3HG       ARG  75 -23.749  -2.212  -2.212
  587   1HD   ARG  75          2HD       ARG  75 -23.380  -3.503  -3.503
  588   2HD   ARG  75          3HD       ARG  75 -24.583  -2.314  -2.314
  589    HE   ARG  75           HE       ARG  75 -25.625  -3.308  -3.308
  590   1HH1  ARG  75          2HH2      ARG  75 -24.404  -4.865  -4.865
  591   2HH1  ARG  75          1HH2      ARG  75 -25.440  -6.245  -6.245
  592   1HH2  ARG  75          2HH1      ARG  75 -26.993  -5.128  -5.128
  593   2HH2  ARG  75          1HH1      ARG  75 -26.923  -6.395  -6.395
  594    H    SER  76           HN       SER  76 -20.084   0.118   0.118
  595    HA   SER  76           HA       SER  76 -17.906   0.334   0.334
  596   1HB   SER  76          2HB       SER  76 -17.774  -1.242  -1.242
  597   2HB   SER  76          3HB       SER  76 -16.393  -0.880  -0.880
  598    HG   SER  76           HG       SER  76 -18.182  -1.959  -1.959
  599    H    THR  77           HN       THR  77 -17.063   2.369   2.369
  600    HA   THR  77           HA       THR  77 -17.450   3.699   3.699
  601    HB   THR  77           HB       THR  77 -17.139   5.742   5.742
  602    HG1  THR  77           HG1      THR  77 -16.310   5.502   5.502
  603   1HG2  THR  77          2HG2      THR  77 -19.271   4.120   4.120
  604   2HG2  THR  77          3HG2      THR  77 -18.523   4.088   4.088
  605   3HG2  THR  77          1HG2      THR  77 -19.018   5.638   5.638
  606    H    PHE  78           HN       PHE  78 -15.621   5.214   5.214
  607    HA   PHE  78           HA       PHE  78 -13.042   3.953   3.953
  608   1HB   PHE  78          2HB       PHE  78 -14.005   4.928   4.928
  609   2HB   PHE  78          3HB       PHE  78 -12.593   3.942   3.942
  610    HD1  PHE  78           HD2      PHE  78 -16.301   3.902   3.902
  611    HD2  PHE  78           HD1      PHE  78 -12.739   1.597   1.597
  612    HE1  PHE  78           HE2      PHE  78 -17.652   1.829   1.829
  613    HE2  PHE  78           HE1      PHE  78 -14.090  -0.476  -0.476
  614   1HZ   PHE  78           HZ       PHE  78 -16.531  -0.335  -0.335
  615    H    SER  79           HN       SER  79 -11.290   5.372   5.372
  616    HA   SER  79           HA       SER  79 -11.997   8.096   8.096
  617   1HB   SER  79          2HB       SER  79  -9.435   6.501   6.501
  618   2HB   SER  79          3HB       SER  79  -9.378   8.252   8.252
  619    HG   SER  79           HG       SER  79  -9.627   7.063   7.063
  620    H    THR  80           HN       THR  80 -10.750   6.041   6.041
  621    HA   THR  80           HA       THR  80 -10.422   8.428   8.428
  622    HB   THR  80           HB       THR  80  -8.432   7.242   7.242
  623    HG1  THR  80           HG1      THR  80  -7.689   5.402   5.402
  624   1HG2  THR  80          1HG2      THR  80  -8.193   7.543   7.543
  625   2HG2  THR  80          2HG2      THR  80  -6.850   7.561   7.561
  626   3HG2  THR  80          3HG2      THR  80  -8.037   8.888   8.888
  627    H    LEU  81           HN       LEU  81 -10.693   8.001   8.001
  628    HA   LEU  81           HA       LEU  81 -12.894   6.188   6.188
  629   1HB   LEU  81          2HB       LEU  81 -11.534   8.252   8.252
  630   2HB   LEU  81          3HB       LEU  81 -12.702   7.139   7.139
  631    HG   LEU  81           HG       LEU  81 -13.285   8.994   8.994
  632   1HD1  LEU  81          1HD1      LEU  81 -12.773   9.872   9.872
  633   2HD1  LEU  81          2HD1      LEU  81 -14.512   9.516   9.516
  634   3HD1  LEU  81          3HD1      LEU  81 -13.932  10.643  10.643
  635   1HD2  LEU  81          3HD2      LEU  81 -14.972   7.094   7.094
  636   2HD2  LEU  81          1HD2      LEU  81 -14.810   7.231   7.231
  637   3HD2  LEU  81          2HD2      LEU  81 -15.685   8.484   8.484
  638    H    GLN  82           HN       GLN  82  -9.414   6.250   6.250
  639    HA   GLN  82           HA       GLN  82  -9.367   4.313   4.313
  640   1HB   GLN  82          2HB       GLN  82  -7.513   5.970   5.970
  641   2HB   GLN  82          3HB       GLN  82  -7.127   4.676   4.676
  642   1HG   GLN  82          2HG       GLN  82  -5.963   3.614   3.614
  643   2HG   GLN  82          3HG       GLN  82  -7.427   3.458   3.458
  644   1HE2  GLN  82          2HE2      GLN  82  -6.186   5.469   5.469
  645   2HE2  GLN  82          1HE2      GLN  82  -7.031   4.051   4.051
  646    H    GLU  83           HN       GLU  83  -9.671   4.191   4.191
  647    HA   GLU  83           HA       GLU  83  -9.064   1.391   1.391
  648   1HB   GLU  83          2HB       GLU  83 -10.038   3.312   3.312
  649   2HB   GLU  83          3HB       GLU  83  -9.630   1.634   1.634
  650   1HG   GLU  83          2HG       GLU  83  -7.623   3.454   3.454
  651   2HG   GLU  83          3HG       GLU  83  -7.804   3.511   3.511
  652    H    LEU  84           HN       LEU  84 -11.839   3.505   3.505
  653    HA   LEU  84           HA       LEU  84 -13.753   1.572   1.572
  654   1HB   LEU  84          2HB       LEU  84 -14.500   3.706   3.706
  655   2HB   LEU  84          3HB       LEU  84 -13.789   4.310   4.310
  656    HG   LEU  84           HG       LEU  84 -16.077   2.378   2.378
  657   1HD1  LEU  84          3HD1      LEU  84 -16.693   4.113   4.113
  658   2HD1  LEU  84          1HD1      LEU  84 -16.486   5.345   5.345
  659   3HD1  LEU  84          2HD1      LEU  84 -17.727   4.082   4.082
  660   1HD2  LEU  84          1HD2      LEU  84 -14.561   3.608   3.608
  661   2HD2  LEU  84          2HD2      LEU  84 -16.234   3.053   3.053
  662   3HD2  LEU  84          3HD2      LEU  84 -15.912   4.757   4.757
  663    H    VAL  85           HN       VAL  85 -12.238   2.585   2.585
  664    HA   VAL  85           HA       VAL  85 -14.025   1.065   1.065
  665    HB   VAL  85           HB       VAL  85 -11.342   2.367   2.367
  666   1HG1  VAL  85          2HG1      VAL  85 -11.758   0.328   0.328
  667   2HG1  VAL  85          3HG1      VAL  85 -13.129   1.226   1.226
  668   3HG1  VAL  85          1HG1      VAL  85 -11.475   1.866   1.866
  669   1HG2  VAL  85          1HG2      VAL  85 -13.196   3.912   3.912
  670   2HG2  VAL  85          2HG2      VAL  85 -12.671   3.973   3.973
  671   3HG2  VAL  85          3HG2      VAL  85 -14.157   3.097   3.097
  672    H    ASP  86           HN       ASP  86 -10.875   0.516   0.516
  673    HA   ASP  86           HA       ASP  86 -10.232  -1.816  -1.816
  674   1HB   ASP  86          2HB       ASP  86  -9.528  -0.539  -0.539
  675   2HB   ASP  86          3HB       ASP  86  -9.142  -2.240  -2.240
  676    H    HIS  87           HN       HIS  87 -12.214  -1.092  -1.092
  677    HA   HIS  87           HA       HIS  87 -12.568  -3.762  -3.762
  678   1HB   HIS  87          2HB       HIS  87 -12.951  -1.491  -1.491
  679   2HB   HIS  87          3HB       HIS  87 -14.565  -1.590  -1.590
  680    HD1  HIS  87           HD1      HIS  87 -12.486  -2.837  -2.837
  681    HD2  HIS  87           HD2      HIS  87 -16.022  -4.009  -4.009
  682    HE1  HIS  87           HE1      HIS  87 -13.634  -4.500  -4.500
  683    H    TYR  88           HN       TYR  88 -14.142  -1.650  -1.650
  684    HA   TYR  88           HA       TYR  88 -16.378  -3.428  -3.428
  685   1HB   TYR  88          2HB       TYR  88 -15.191  -0.887  -0.887
  686   2HB   TYR  88          3HB       TYR  88 -16.425  -1.727  -1.727
  687    HD1  TYR  88           HD1      TYR  88 -18.272  -2.637  -2.637
  688    HD2  TYR  88           HD2      TYR  88 -16.206   1.081   1.081
  689    HE1  TYR  88           HE1      TYR  88 -20.073  -1.458  -1.458
  690    HE2  TYR  88           HE2      TYR  88 -18.013   2.247   2.247
  691    HH   TYR  88           HH       TYR  88 -19.874   0.983   0.983
  692    H    LYS  89           HN       LYS  89 -13.094  -3.374  -3.374
  693    HA   LYS  89           HA       LYS  89 -13.632  -4.619  -4.619
  694   1HB   LYS  89          2HB       LYS  89 -11.077  -3.872  -3.872
  695   2HB   LYS  89          3HB       LYS  89 -11.109  -4.692  -4.692
  696   1HG   LYS  89          2HG       LYS  89 -12.911  -2.393  -2.393
  697   2HG   LYS  89          3HG       LYS  89 -11.316  -1.892  -1.892
  698   1HD   LYS  89          2HD       LYS  89 -10.638  -3.548  -3.548
  699   2HD   LYS  89          3HD       LYS  89 -12.193  -2.967  -2.967
  700   1HE   LYS  89          2HE       LYS  89 -10.407  -1.470  -1.470
  701   2HE   LYS  89          3HE       LYS  89 -11.443  -0.608  -0.608
  702   1HZ   LYS  89          1HZ       LYS  89  -9.396  -1.871  -1.871
  703   2HZ   LYS  89          2HZ       LYS  89  -8.732  -1.006  -1.006
  704   3HZ   LYS  89          3HZ       LYS  89  -9.708  -0.273  -0.273
  705    H    LYS  90           HN       LYS  90 -12.952  -5.475  -5.475
  706    HA   LYS  90           HA       LYS  90 -12.229  -8.181  -8.181
  707   1HB   LYS  90          2HB       LYS  90 -12.209  -6.517  -6.517
  708   2HB   LYS  90          3HB       LYS  90 -12.416  -8.244  -8.244
  709   1HG   LYS  90          2HG       LYS  90 -10.064  -7.978  -7.978
  710   2HG   LYS  90          3HG       LYS  90 -10.384  -8.509  -8.509
  711   1HD   LYS  90          2HD       LYS  90 -10.656  -5.733  -5.733
  712   2HD   LYS  90          3HD       LYS  90  -9.357  -5.906  -5.906
  713   1HE   LYS  90          2HE       LYS  90  -8.166  -7.454  -7.454
  714   2HE   LYS  90          3HE       LYS  90  -9.449  -7.211  -7.211
  715   1HZ   LYS  90          1HZ       LYS  90  -8.042  -4.915  -4.915
  716   2HZ   LYS  90          2HZ       LYS  90  -7.396  -5.748  -5.748
  717   3HZ   LYS  90          3HZ       LYS  90  -8.851  -5.025  -5.025
  718    H    GLY  91           HN       GLY  91 -15.047  -6.269  -6.269
  719   1HA   GLY  91          1HA       GLY  91 -16.844  -8.320  -8.320
  720   2HA   GLY  91          2HA       GLY  91 -16.688  -8.278  -8.278
  721    H    ASN  92           HN       ASN  92 -18.994  -7.527  -7.527
  722    HA   ASN  92           HA       ASN  92 -19.292  -4.847  -4.847
  723   1HB   ASN  92          2HB       ASN  92 -21.838  -5.445  -5.445
  724   2HB   ASN  92          3HB       ASN  92 -21.033  -6.132  -6.132
  725   1HD2  ASN  92          2HD2      ASN  92 -22.630  -8.471  -8.471
  726   2HD2  ASN  92          1HD2      ASN  92 -22.870  -6.764  -6.764
  727    H    ASP  93           HN       ASP  93 -20.046  -7.007  -7.007
  728    HA   ASP  93           HA       ASP  93 -20.690  -6.574  -6.574
  729   1HB   ASP  93          2HB       ASP  93 -18.177  -5.968  -5.968
  730   2HB   ASP  93          3HB       ASP  93 -18.676  -4.288  -4.288
  731    H    GLY  94           HN       GLY  94 -22.504  -5.345  -5.345
  732   1HA   GLY  94          1HA       GLY  94 -24.084  -3.726  -3.726
  733   2HA   GLY  94          2HA       GLY  94 -22.832  -2.568  -2.568
  734    H    LEU  95           HN       LEU  95 -22.016  -3.264  -3.264
  735    HA   LEU  95           HA       LEU  95 -24.123  -2.236  -2.236
  736   1HB   LEU  95          2HB       LEU  95 -21.517  -3.536  -3.536
  737   2HB   LEU  95          3HB       LEU  95 -22.587  -2.674  -2.674
  738    HG   LEU  95           HG       LEU  95 -20.870  -1.589  -1.589
  739   1HD1  LEU  95          2HD1      LEU  95 -20.778  -1.639  -1.639
  740   2HD1  LEU  95          3HD1      LEU  95 -20.905   0.049   0.049
  741   3HD1  LEU  95          1HD1      LEU  95 -19.591  -0.988  -0.988
  742   1HD2  LEU  95          1HD2      LEU  95 -23.425  -0.420  -0.420
  743   2HD2  LEU  95          2HD2      LEU  95 -22.775  -0.447  -0.447
  744   3HD2  LEU  95          3HD2      LEU  95 -22.077   0.653   0.653
  745    H    CYS  96           HN       CYS  96 -24.632  -3.477  -3.477
  746    HA   CYS  96           HA       CYS  96 -26.128  -5.735  -5.735
  747   1HB   CYS  96          2HB       CYS  96 -26.850  -5.831  -5.831
  748   2HB   CYS  96          3HB       CYS  96 -27.024  -4.227  -4.227
  749    HG   CYS  96           HG       CYS  96 -25.665  -3.046  -3.046
  750    H    GLN  97           HN       GLN  97 -23.119  -5.109  -5.109
  751    HA   GLN  97           HA       GLN  97 -22.407  -7.869  -7.869
  752   1HB   GLN  97          2HB       GLN  97 -22.364  -6.583  -6.583
  753   2HB   GLN  97          3HB       GLN  97 -21.685  -8.151  -8.151
  754   1HG   GLN  97          2HG       GLN  97 -23.971  -8.908  -8.908
  755   2HG   GLN  97          3HG       GLN  97 -24.624  -7.361  -7.361
  756   1HE2  GLN  97          1HE2      GLN  97 -24.360  -6.720  -6.720
  757   2HE2  GLN  97          2HE2      GLN  97 -24.381  -7.918  -7.918
  758    H    LYS  98           HN       LYS  98 -20.121  -8.206  -8.206
  759    HA   LYS  98           HA       LYS  98 -18.628  -6.126  -6.126
  760   1HB   LYS  98          2HB       LYS  98 -16.756  -7.603  -7.603
  761   2HB   LYS  98          3HB       LYS  98 -18.170  -8.566  -8.566
  762   1HG   LYS  98          2HG       LYS  98 -18.267  -9.533  -9.533
  763   2HG   LYS  98          3HG       LYS  98 -17.393  -8.211  -8.211
  764   1HD   LYS  98          2HD       LYS  98 -15.426  -9.040  -9.040
  765   2HD   LYS  98          3HD       LYS  98 -16.318 -10.547 -10.547
  766   1HE   LYS  98          2HE       LYS  98 -16.240 -10.457 -10.457
  767   2HE   LYS  98          3HE       LYS  98 -15.278  -8.996  -8.996
  768   1HZ   LYS  98          2HZ       LYS  98 -13.967 -10.680 -10.680
  769   2HZ   LYS  98          3HZ       LYS  98 -14.499 -11.697 -11.697
  770   3HZ   LYS  98          1HZ       LYS  98 -13.586 -10.404 -10.404
  771    H    LEU  99           HN       LEU  99 -16.540  -5.219  -5.219
  772    HA   LEU  99           HA       LEU  99 -17.257  -4.164  -4.164
  773   1HB   LEU  99          2HB       LEU  99 -15.210  -3.378  -3.378
  774   2HB   LEU  99          3HB       LEU  99 -15.304  -2.635  -2.635
  775    HG   LEU  99           HG       LEU  99 -17.276  -2.485  -2.485
  776   1HD1  LEU  99          1HD1      LEU  99 -15.216  -0.844  -0.844
  777   2HD1  LEU  99          2HD1      LEU  99 -16.615  -0.084  -0.084
  778   3HD1  LEU  99          3HD1      LEU  99 -16.628  -0.353  -0.353
  779   1HD2  LEU  99          2HD2      LEU  99 -17.830  -2.199  -2.199
  780   2HD2  LEU  99          3HD2      LEU  99 -18.846  -2.865  -2.865
  781   3HD2  LEU  99          1HD2      LEU  99 -18.639  -1.104  -1.104
  782    H    SER 100           HN       SER 100 -15.825  -4.227  -4.227
  783    HA   SER 100           HA       SER 100 -13.961  -6.459  -6.459
  784   1HB   SER 100          2HB       SER 100 -14.324  -6.777  -6.777
  785   2HB   SER 100          3HB       SER 100 -15.821  -6.911  -6.911
  786    HG   SER 100           HG       SER 100 -16.183  -4.585  -4.585
  787    H    VAL 101           HN       VAL 101 -14.435  -3.774  -3.774
  788    HA   VAL 101           HA       VAL 101 -11.744  -2.830  -2.830
  789    HB   VAL 101           HB       VAL 101 -11.322  -2.568  -2.568
  790   1HG1  VAL 101          3HG1      VAL 101 -10.546  -4.531  -4.531
  791   2HG1  VAL 101          1HG1      VAL 101 -11.824  -5.477  -5.477
  792   3HG1  VAL 101          2HG1      VAL 101 -10.510  -4.761  -4.761
  793   1HG2  VAL 101          1HG2      VAL 101 -14.057  -3.619  -3.619
  794   2HG2  VAL 101          2HG2      VAL 101 -13.106  -2.722  -2.722
  795   3HG2  VAL 101          3HG2      VAL 101 -12.914  -4.485  -4.485
  796    HA   PRO 102           HA       PRO 102 -13.677   1.026   1.026
  797   1HB   PRO 102          2HB       PRO 102 -11.560   2.686   2.686
  798   2HB   PRO 102          3HB       PRO 102 -11.938   2.054   2.054
  799   1HG   PRO 102          2HG       PRO 102  -9.781   1.243   1.243
  800   2HG   PRO 102          3HG       PRO 102  -9.922   0.942   0.942
  801   1HD   PRO 102          2HD       PRO 102 -10.409  -0.933  -0.933
  802   2HD   PRO 102          3HD       PRO 102 -10.661  -1.197  -1.197
  803    H    CYS 103           HN       CYS 103 -14.644   2.601   2.601
  804    HA   CYS 103           HA       CYS 103 -15.104   1.847   1.847
  805   1HB   CYS 103          2HB       CYS 103 -16.120   3.768   3.768
  806   2HB   CYS 103          3HB       CYS 103 -15.011   4.786   4.786
  807    HG   CYS 103           HG       CYS 103 -16.527   5.111   5.111
  808    H    MET 104           HN       MET 104 -14.288   2.612   2.612
  809    HA   MET 104           HA       MET 104 -11.457   3.219   3.219
  810   1HB   MET 104          2HB       MET 104 -13.211   2.233   2.233
  811   2HB   MET 104          3HB       MET 104 -11.478   2.466   2.466
  812   1HG   MET 104          2HG       MET 104 -12.614   0.685   0.685
  813   2HG   MET 104          3HG       MET 104 -12.443   0.061   0.061
  814   1HE   MET 104          3HE       MET 104 -11.028  -0.013  -0.013
  815   2HE   MET 104          1HE       MET 104 -10.829  -1.462  -1.462
  816   3HE   MET 104          2HE       MET 104  -9.399  -0.638  -0.638
  817    H    SER 105           HN       SER 105 -10.588   4.628   4.628
  818    HA   SER 105           HA       SER 105 -12.514   6.616   6.616
  819   1HB   SER 105          2HB       SER 105 -11.191   7.180   7.180
  820   2HB   SER 105          3HB       SER 105  -9.928   7.650   7.650
  821    HG   SER 105           HG       SER 105 -11.593   9.331   9.331
  822    H    SER 106           HN       SER 106 -11.873   7.735   7.735
  823    HA   SER 106           HA       SER 106  -9.268   7.518   7.518
  824   1HB   SER 106          2HB       SER 106 -10.450   5.146   5.146
  825   2HB   SER 106          3HB       SER 106 -11.201   5.953   5.953
  826    HG   SER 106           HG       SER 106  -8.461   5.294   5.294
  827    H    LYS 107           HN       LYS 107  -8.983   9.097   9.097
  828    HA   LYS 107           HA       LYS 107 -11.309  10.038  10.038
  829   1HB   LYS 107          2HB       LYS 107 -10.801  11.270  11.270
  830   2HB   LYS 107          3HB       LYS 107  -9.800  12.230  12.230
  831   1HG   LYS 107          2HG       LYS 107 -11.723  12.674  12.674
  832   2HG   LYS 107          3HG       LYS 107 -12.739  11.598  11.598
  833   1HD   LYS 107          2HD       LYS 107 -12.571  13.061  13.061
  834   2HD   LYS 107          3HD       LYS 107 -11.397  14.082  14.082
  835   1HE   LYS 107          2HE       LYS 107 -13.154  14.591  14.591
  836   2HE   LYS 107          3HE       LYS 107 -14.315  13.692  13.692
  837   1HZ   LYS 107          2HZ       LYS 107 -13.089  15.444  15.444
  838   2HZ   LYS 107          3HZ       LYS 107 -13.412  16.311  16.311
  839   3HZ   LYS 107          1HZ       LYS 107 -14.617  15.528  15.528

  Start of MODEL    6
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.951   1.001   1.001
    3   1HB   MET   1          2HB       MET   1   3.632  -0.809  -0.809
    4   2HB   MET   1          3HB       MET   1   3.929  -0.996  -0.996
    5   1HG   MET   1          2HG       MET   1   4.537   1.319   1.319
    6   2HG   MET   1          3HG       MET   1   3.849   1.763   1.763
    7   1HE   MET   1          2HE       MET   1   6.132   3.043   3.043
    8   2HE   MET   1          3HE       MET   1   7.719   2.255   2.255
    9   3HE   MET   1          1HE       MET   1   6.934   2.343   2.343
   10    H    GLU   2           HN       GLU   2   0.136   0.311   0.311
   11    HA   GLU   2           HA       GLU   2   0.554  -1.494  -1.494
   12   1HB   GLU   2          2HB       GLU   2  -0.170  -2.900  -2.900
   13   2HB   GLU   2          3HB       GLU   2  -1.206  -3.330  -3.330
   14   1HG   GLU   2          2HG       GLU   2   1.569  -3.214  -3.214
   15   2HG   GLU   2          3HG       GLU   2   1.445  -4.251  -4.251
   16    H    THR   3           HN       THR   3  -0.776  -0.425  -0.425
   17    HA   THR   3           HA       THR   3  -3.621  -0.410  -0.410
   18    HB   THR   3           HB       THR   3  -3.578   2.115   2.115
   19    HG1  THR   3           HG1      THR   3  -0.853   1.479   1.479
   20   1HG2  THR   3          2HG2      THR   3  -4.001   1.369   1.369
   21   2HG2  THR   3          3HG2      THR   3  -2.241   1.369   1.369
   22   3HG2  THR   3          1HG2      THR   3  -3.085   2.893   2.893
   23    H    GLU   4           HN       GLU   4  -4.897   0.349   0.349
   24    HA   GLU   4           HA       GLU   4  -3.380  -0.292  -0.292
   25   1HB   GLU   4          2HB       GLU   4  -6.234  -1.234  -1.234
   26   2HB   GLU   4          3HB       GLU   4  -5.152  -1.710  -1.710
   27   1HG   GLU   4          2HG       GLU   4  -3.786  -2.264  -2.264
   28   2HG   GLU   4          3HG       GLU   4  -5.423  -2.861  -2.861
   29    H    GLU   5           HN       GLU   5  -3.299   1.689   1.689
   30    HA   GLU   5           HA       GLU   5  -5.805   3.174   3.174
   31   1HB   GLU   5          2HB       GLU   5  -4.061   4.484   4.484
   32   2HB   GLU   5          3HB       GLU   5  -2.907   4.073   4.073
   33   1HG   GLU   5          2HG       GLU   5  -3.747   5.625   5.625
   34   2HG   GLU   5          3HG       GLU   5  -5.408   5.354   5.354
   35    H    TRP   6           HN       TRP   6  -5.906   1.109   1.109
   36    HA   TRP   6           HA       TRP   6  -4.815   1.969   1.969
   37   1HB   TRP   6          2HB       TRP   6  -5.843  -0.247  -0.247
   38   2HB   TRP   6          3HB       TRP   6  -4.429  -0.287  -0.287
   39    HD1  TRP   6           HD1      TRP   6  -4.673  -1.721  -1.721
   40    HE1  TRP   6           HE1      TRP   6  -6.587  -2.972  -2.972
   41    HE3  TRP   6           HE3      TRP   6  -8.510   0.116   0.116
   42    HZ2  TRP   6           HZ2      TRP   6  -9.428  -3.051  -3.051
   43    HZ3  TRP   6           HZ3      TRP   6 -10.823  -0.598  -0.598
   44    HH2  TRP   6           HH2      TRP   6 -11.312  -2.126  -2.126
   45    H    PHE   7           HN       PHE   7  -7.642   2.203   2.203
   46    HA   PHE   7           HA       PHE   7  -9.394   2.565   2.565
   47   1HB   PHE   7          2HB       PHE   7 -10.237   1.244   1.244
   48   2HB   PHE   7          3HB       PHE   7  -9.667   2.432   2.432
   49    HD1  PHE   7           HD2      PHE   7 -11.809   2.610   2.610
   50    HD2  PHE   7           HD1      PHE   7 -11.412   3.471   3.471
   51    HE1  PHE   7           HE2      PHE   7 -14.068   3.704   3.704
   52    HE2  PHE   7           HE1      PHE   7 -13.670   4.566   4.566
   53   1HZ   PHE   7           HZ       PHE   7 -14.971   4.669   4.669
   54    H    PHE   8           HN       PHE   8 -10.415   4.535   4.535
   55    HA   PHE   8           HA       PHE   8  -9.511   6.838   6.838
   56   1HB   PHE   8          2HB       PHE   8  -9.442   6.185   6.185
   57   2HB   PHE   8          3HB       PHE   8  -9.710   7.857   7.857
   58    HD1  PHE   8           HD2      PHE   8  -7.404   5.074   5.074
   59    HD2  PHE   8           HD1      PHE   8  -7.845   9.195   9.195
   60    HE1  PHE   8           HE2      PHE   8  -4.930   5.398   5.398
   61    HE2  PHE   8           HE1      PHE   8  -5.371   9.520   9.520
   62   1HZ   PHE   8           HZ       PHE   8  -3.942   7.617   7.617
   63    H    LYS   9           HN       LYS   9 -10.911   8.812   8.812
   64    HA   LYS   9           HA       LYS   9 -13.616   8.084   8.084
   65   1HB   LYS   9          2HB       LYS   9 -14.007  10.464  10.464
   66   2HB   LYS   9          3HB       LYS   9 -12.579   9.999   9.999
   67   1HG   LYS   9          2HG       LYS   9 -11.805  10.694  10.694
   68   2HG   LYS   9          3HG       LYS   9 -12.783  11.986  11.986
   69   1HD   LYS   9          2HD       LYS   9 -10.418  10.755  10.755
   70   2HD   LYS   9          3HD       LYS   9 -10.267  12.161  12.161
   71   1HE   LYS   9          2HE       LYS   9 -12.471  12.750  12.750
   72   2HE   LYS   9          3HE       LYS   9 -11.305  11.981  11.981
   73   1HZ   LYS   9          2HZ       LYS   9  -9.820  13.660  13.660
   74   2HZ   LYS   9          3HZ       LYS   9 -11.180  14.521  14.521
   75   3HZ   LYS   9          1HZ       LYS   9 -10.315  13.939  13.939
   76    H    GLY  10           HN       GLY  10 -15.230   9.733   9.733
   77   1HA   GLY  10          1HA       GLY  10 -15.340   8.507   8.507
   78   2HA   GLY  10          2HA       GLY  10 -16.345   9.813   9.813
   79    H    ILE  11           HN       ILE  11 -12.894   9.248   9.248
   80    HA   ILE  11           HA       ILE  11 -12.680  11.982  11.982
   81    HB   ILE  11           HB       ILE  11 -10.909  10.355  10.355
   82   1HG1  ILE  11          2HG1      ILE  11 -10.411  12.459  12.459
   83   2HG1  ILE  11          3HG1      ILE  11 -10.447  12.665  12.665
   84   1HG2  ILE  11          3HG2      ILE  11 -11.155   8.730   8.730
   85   2HG2  ILE  11          1HG2      ILE  11 -10.313   9.931   9.931
   86   3HG2  ILE  11          2HG2      ILE  11  -9.492   9.222   9.222
   87   1HD1  ILE  11          3HD1      ILE  11  -8.414  10.953  10.953
   88   2HD1  ILE  11          1HD1      ILE  11  -8.115  12.594  12.594
   89   3HD1  ILE  11          2HD1      ILE  11  -8.431  11.257  11.257
   90    H    SER  12           HN       SER  12 -12.032  12.563  12.563
   91    HA   SER  12           HA       SER  12 -13.769  11.186  11.186
   92   1HB   SER  12          2HB       SER  12 -13.578  13.070  13.070
   93   2HB   SER  12          3HB       SER  12 -13.324  13.764  13.764
   94    HG   SER  12           HG       SER  12 -11.716  14.055  14.055
   95    H    ARG  13           HN       ARG  13 -13.035  10.411  10.411
   96    HA   ARG  13           HA       ARG  13 -10.836   8.749   8.749
   97   1HB   ARG  13          2HB       ARG  13 -12.579   8.083   8.083
   98   2HB   ARG  13          3HB       ARG  13 -12.548   9.617   9.617
   99   1HG   ARG  13          2HG       ARG  13  -9.965   8.116   8.116
  100   2HG   ARG  13          3HG       ARG  13 -11.276   7.342   7.342
  101   1HD   ARG  13          2HD       ARG  13 -10.730  10.292  10.292
  102   2HD   ARG  13          3HD       ARG  13  -9.723   9.098   9.098
  103    HE   ARG  13           HE       ARG  13 -12.513   8.436   8.436
  104   1HH1  ARG  13          2HH2      ARG  13 -10.026  10.653  10.653
  105   2HH1  ARG  13          1HH2      ARG  13 -10.772  10.903  10.903
  106   1HH2  ARG  13          2HH1      ARG  13 -13.498   8.766   8.766
  107   2HH2  ARG  13          1HH1      ARG  13 -12.760   9.822   9.822
  108    H    LYS  14           HN       LYS  14 -11.198  12.085  12.085
  109    HA   LYS  14           HA       LYS  14  -8.767  12.134  12.134
  110   1HB   LYS  14          2HB       LYS  14 -10.927  14.058  14.058
  111   2HB   LYS  14          3HB       LYS  14  -9.354  14.730  14.730
  112   1HG   LYS  14          2HG       LYS  14  -9.338  13.410  13.410
  113   2HG   LYS  14          3HG       LYS  14 -10.949  12.828  12.828
  114   1HD   LYS  14          2HD       LYS  14 -11.939  14.954  14.954
  115   2HD   LYS  14          3HD       LYS  14 -10.440  15.811  15.811
  116   1HE   LYS  14          2HE       LYS  14  -9.521  14.978  14.978
  117   2HE   LYS  14          3HE       LYS  14 -11.011  14.105  14.105
  118   1HZ   LYS  14          2HZ       LYS  14 -11.826  16.620  16.620
  119   2HZ   LYS  14          3HZ       LYS  14 -10.468  16.863  16.863
  120   3HZ   LYS  14          1HZ       LYS  14 -11.688  15.969  15.969
  121    H    ASP  15           HN       ASP  15  -9.883  12.982  12.982
  122    HA   ASP  15           HA       ASP  15  -7.493  14.241  14.241
  123   1HB   ASP  15          2HB       ASP  15  -9.890  13.113  13.113
  124   2HB   ASP  15          3HB       ASP  15  -8.459  13.407  13.407
  125    H    ALA  16           HN       ALA  16  -8.667  10.885  10.885
  126    HA   ALA  16           HA       ALA  16  -6.600   9.849   9.849
  127   1HB   ALA  16          3HB       ALA  16  -9.004   8.887   8.887
  128   2HB   ALA  16          1HB       ALA  16  -7.667   7.714   7.714
  129   3HB   ALA  16          2HB       ALA  16  -8.322   8.381   8.381
  130    H    GLU  17           HN       GLU  17  -7.041  10.673  10.673
  131    HA   GLU  17           HA       GLU  17  -4.942   8.952   8.952
  132   1HB   GLU  17          2HB       GLU  17  -6.811  10.926  10.926
  133   2HB   GLU  17          3HB       GLU  17  -5.299  10.639  10.639
  134   1HG   GLU  17          2HG       GLU  17  -5.875   8.078   8.078
  135   2HG   GLU  17          3HG       GLU  17  -7.507   8.664   8.664
  136    H    ARG  18           HN       ARG  18  -5.249  12.143  12.143
  137    HA   ARG  18           HA       ARG  18  -2.776  13.039  13.039
  138   1HB   ARG  18          2HB       ARG  18  -4.902  14.199  14.199
  139   2HB   ARG  18          3HB       ARG  18  -3.307  14.920  14.920
  140   1HG   ARG  18          2HG       ARG  18  -4.251  14.444  14.444
  141   2HG   ARG  18          3HG       ARG  18  -5.284  15.536  15.536
  142   1HD   ARG  18          2HD       ARG  18  -3.475  17.067  17.067
  143   2HD   ARG  18          3HD       ARG  18  -2.260  15.892  15.892
  144    HE   ARG  18           HE       ARG  18  -3.869  17.550  17.550
  145   1HH1  ARG  18          2HH2      ARG  18  -1.861  14.676  14.676
  146   2HH1  ARG  18          1HH2      ARG  18  -1.469  14.621  14.621
  147   1HH2  ARG  18          1HH1      ARG  18  -2.323  16.227  16.227
  148   2HH2  ARG  18          2HH1      ARG  18  -3.353  17.479  17.479
  149    H    GLN  19           HN       GLN  19  -4.018  11.464  11.464
  150    HA   GLN  19           HA       GLN  19  -1.733  12.112  12.112
  151   1HB   GLN  19          2HB       GLN  19  -4.131  10.290  10.290
  152   2HB   GLN  19          3HB       GLN  19  -2.807  10.293  10.293
  153   1HG   GLN  19          2HG       GLN  19  -3.189  12.968  12.968
  154   2HG   GLN  19          3HG       GLN  19  -4.803  12.463  12.463
  155   1HE2  GLN  19          2HE2      GLN  19  -5.811  12.021  12.021
  156   2HE2  GLN  19          1HE2      GLN  19  -6.126  12.516  12.516
  157    H    LEU  20           HN       LEU  20  -2.741   9.566   9.566
  158    HA   LEU  20           HA       LEU  20  -0.736   7.718   7.718
  159   1HB   LEU  20          2HB       LEU  20  -2.722   7.755   7.755
  160   2HB   LEU  20          3HB       LEU  20  -1.494   6.512   6.512
  161    HG   LEU  20           HG       LEU  20  -3.445   7.099   7.099
  162   1HD1  LEU  20          1HD1      LEU  20  -4.655   6.541   6.541
  163   2HD1  LEU  20          2HD1      LEU  20  -3.781   4.991   4.991
  164   3HD1  LEU  20          3HD1      LEU  20  -4.885   5.356   5.356
  165   1HD2  LEU  20          2HD2      LEU  20  -1.305   5.832   5.832
  166   2HD2  LEU  20          3HD2      LEU  20  -2.817   4.995   4.995
  167   3HD2  LEU  20          1HD2      LEU  20  -1.939   4.547   4.547
  168    H    LEU  21           HN       LEU  21  -1.291   9.822   9.822
  169    HA   LEU  21           HA       LEU  21   1.176   9.183   9.183
  170   1HB   LEU  21          2HB       LEU  21  -0.816  11.409  11.409
  171   2HB   LEU  21          3HB       LEU  21   0.687  11.376  11.376
  172    HG   LEU  21           HG       LEU  21  -1.200   9.023   9.023
  173   1HD1  LEU  21          2HD1      LEU  21  -1.706  11.662  11.662
  174   2HD1  LEU  21          3HD1      LEU  21  -1.603  10.451  10.451
  175   3HD1  LEU  21          1HD1      LEU  21  -2.754  10.224  10.224
  176   1HD2  LEU  21          3HD2      LEU  21   0.986  10.005  10.005
  177   2HD2  LEU  21          1HD2      LEU  21   0.975   8.528   8.528
  178   3HD2  LEU  21          2HD2      LEU  21  -0.135   8.679   8.679
  179    H    ALA  22           HN       ALA  22   0.310  11.108  11.108
  180    HA   ALA  22           HA       ALA  22   2.288  13.073  13.073
  181   1HB   ALA  22          1HB       ALA  22   0.375  11.969  11.969
  182   2HB   ALA  22          2HB       ALA  22   1.891  12.485  12.485
  183   3HB   ALA  22          3HB       ALA  22   0.953  13.641  13.641
  184    HA   PRO  23           HA       PRO  23   5.900  10.934  10.934
  185   1HB   PRO  23          2HB       PRO  23   7.316  12.762  12.762
  186   2HB   PRO  23          3HB       PRO  23   7.211  12.804  12.804
  187   1HG   PRO  23          2HG       PRO  23   5.854  14.529  14.529
  188   2HG   PRO  23          3HG       PRO  23   6.104  14.809  14.809
  189   1HD   PRO  23          2HD       PRO  23   3.667  13.981  13.981
  190   2HD   PRO  23          3HD       PRO  23   3.949  14.149  14.149
  191    H    GLY  24           HN       GLY  24   3.902  12.047  12.047
  192   1HA   GLY  24          1HA       GLY  24   5.219  11.073  11.073
  193   2HA   GLY  24          2HA       GLY  24   3.482  11.199  11.199
  194    H    ASN  25           HN       ASN  25   3.342   9.361   9.361
  195    HA   ASN  25           HA       ASN  25   3.889   6.899   6.899
  196   1HB   ASN  25          2HB       ASN  25   1.728   7.457   7.457
  197   2HB   ASN  25          3HB       ASN  25   1.960   5.925   5.925
  198   1HD2  ASN  25          2HD2      ASN  25   0.196   9.156   9.156
  199   2HD2  ASN  25          1HD2      ASN  25   1.056   9.289   9.289
  200    H    MET  26           HN       MET  26   3.857   4.946   4.946
  201    HA   MET  26           HA       MET  26   5.109   5.853   5.853
  202   1HB   MET  26          2HB       MET  26   7.040   4.303   4.303
  203   2HB   MET  26          3HB       MET  26   6.983   5.482   5.482
  204   1HG   MET  26          2HG       MET  26   5.571   3.686   3.686
  205   2HG   MET  26          3HG       MET  26   6.160   2.555   2.555
  206   1HE   MET  26          3HE       MET  26   6.616   4.857   4.857
  207   2HE   MET  26          1HE       MET  26   7.357   3.577   3.577
  208   3HE   MET  26          2HE       MET  26   8.342   4.946   4.946
  209    H    LEU  27           HN       LEU  27   5.473   3.909   3.909
  210    HA   LEU  27           HA       LEU  27   3.171   2.669   2.669
  211   1HB   LEU  27          2HB       LEU  27   5.710   2.664   2.664
  212   2HB   LEU  27          3HB       LEU  27   5.554   0.999   0.999
  213    HG   LEU  27           HG       LEU  27   4.955   1.530   1.530
  214   1HD1  LEU  27          1HD1      LEU  27   3.335  -0.071  -0.071
  215   2HD1  LEU  27          2HD1      LEU  27   2.725   0.112   0.112
  216   3HD1  LEU  27          3HD1      LEU  27   4.335  -0.592  -0.592
  217   1HD2  LEU  27          3HD2      LEU  27   3.592   3.597   3.597
  218   2HD2  LEU  27          1HD2      LEU  27   2.977   2.598   2.598
  219   3HD2  LEU  27          2HD2      LEU  27   2.285   2.424   2.424
  220    H    GLY  28           HN       GLY  28   1.964   0.919   0.919
  221   1HA   GLY  28          1HA       GLY  28   1.761  -1.199  -1.199
  222   2HA   GLY  28          2HA       GLY  28   3.137  -0.844  -0.844
  223    H    SER  29           HN       SER  29   1.970   2.047   2.047
  224    HA   SER  29           HA       SER  29   0.731   1.535   1.535
  225   1HB   SER  29          2HB       SER  29   0.791   4.048   4.048
  226   2HB   SER  29          3HB       SER  29   0.183   4.015   4.015
  227    HG   SER  29           HG       SER  29   2.805   2.986   2.986
  228    H    PHE  30           HN       PHE  30  -1.452   1.421   1.421
  229    HA   PHE  30           HA       PHE  30  -3.421   1.878   1.878
  230   1HB   PHE  30          2HB       PHE  30  -4.479  -0.275  -0.275
  231   2HB   PHE  30          3HB       PHE  30  -2.798  -0.585  -0.585
  232    HD1  PHE  30           HD2      PHE  30  -1.151  -0.883  -0.883
  233    HD2  PHE  30           HD1      PHE  30  -5.341  -0.748  -0.748
  234    HE1  PHE  30           HE2      PHE  30  -0.834  -1.961  -1.961
  235    HE2  PHE  30           HE1      PHE  30  -5.025  -1.826  -1.826
  236   1HZ   PHE  30           HZ       PHE  30  -2.775  -2.420  -2.420
  237    H    MET  31           HN       MET  31  -5.675   2.107   2.107
  238    HA   MET  31           HA       MET  31  -5.825   2.588   2.588
  239   1HB   MET  31          2HB       MET  31  -6.430   4.935   4.935
  240   2HB   MET  31          3HB       MET  31  -4.963   4.747   4.747
  241   1HG   MET  31          2HG       MET  31  -6.842   4.211   4.211
  242   2HG   MET  31          3HG       MET  31  -7.752   5.317   5.317
  243   1HE   MET  31          2HE       MET  31  -5.399   6.861   6.861
  244   2HE   MET  31          3HE       MET  31  -5.043   8.251   8.251
  245   3HE   MET  31          1HE       MET  31  -6.729   7.853   7.853
  246    H    ILE  32           HN       ILE  32  -8.034   2.684   2.684
  247    HA   ILE  32           HA       ILE  32  -9.983   1.916   1.916
  248    HB   ILE  32           HB       ILE  32  -9.553   0.898   0.898
  249   1HG1  ILE  32          2HG1      ILE  32  -9.985  -0.667  -0.667
  250   2HG1  ILE  32          3HG1      ILE  32  -8.399  -0.095  -0.095
  251   1HG2  ILE  32          2HG2      ILE  32 -12.076   0.979   0.979
  252   2HG2  ILE  32          3HG2      ILE  32 -11.722  -0.458  -0.458
  253   3HG2  ILE  32          1HG2      ILE  32 -11.828   1.145   1.145
  254   1HD1  ILE  32          1HD1      ILE  32 -10.219  -1.866  -1.866
  255   2HD1  ILE  32          2HD1      ILE  32  -8.775  -2.404  -2.404
  256   3HD1  ILE  32          3HD1      ILE  32  -8.607  -1.284  -1.284
  257    H    ARG  33           HN       ARG  33 -12.051   2.860   2.860
  258    HA   ARG  33           HA       ARG  33 -12.532   4.693   4.693
  259   1HB   ARG  33          2HB       ARG  33 -12.990   6.607   6.607
  260   2HB   ARG  33          3HB       ARG  33 -11.324   6.086   6.086
  261   1HG   ARG  33          2HG       ARG  33 -12.048   4.658   4.658
  262   2HG   ARG  33          3HG       ARG  33 -13.622   5.420   5.420
  263   1HD   ARG  33          2HD       ARG  33 -12.567   7.665   7.665
  264   2HD   ARG  33          3HD       ARG  33 -10.984   6.918   6.918
  265    HE   ARG  33           HE       ARG  33 -11.425   6.260   6.260
  266   1HH1  ARG  33          2HH2      ARG  33 -14.453   7.107   7.107
  267   2HH1  ARG  33          1HH2      ARG  33 -15.390   6.991   6.991
  268   1HH2  ARG  33          2HH1      ARG  33 -12.660   6.106   6.106
  269   2HH2  ARG  33          1HH1      ARG  33 -14.364   6.418   6.418
  270    H    ASP  34           HN       ASP  34 -14.850   5.818   5.818
  271    HA   ASP  34           HA       ASP  34 -16.517   3.612   3.612
  272   1HB   ASP  34          2HB       ASP  34 -18.315   4.724   4.724
  273   2HB   ASP  34          3HB       ASP  34 -16.907   4.469   4.469
  274    H    SER  35           HN       SER  35 -18.369   4.104   4.104
  275    HA   SER  35           HA       SER  35 -17.711   5.873   5.873
  276   1HB   SER  35          2HB       SER  35 -19.147   3.856   3.856
  277   2HB   SER  35          3HB       SER  35 -20.411   4.618   4.618
  278    HG   SER  35           HG       SER  35 -19.394   6.023   6.023
  279    H    GLU  36           HN       GLU  36 -18.998   7.795   7.795
  280    HA   GLU  36           HA       GLU  36 -19.906   9.291   9.291
  281   1HB   GLU  36          2HB       GLU  36 -18.233   9.943   9.943
  282   2HB   GLU  36          3HB       GLU  36 -19.576  11.062  11.062
  283   1HG   GLU  36          2HG       GLU  36 -19.001  11.425  11.425
  284   2HG   GLU  36          3HG       GLU  36 -17.602  10.389  10.389
  285    H    THR  37           HN       THR  37 -20.620   8.631   8.631
  286    HA   THR  37           HA       THR  37 -23.228   9.851   9.851
  287    HB   THR  37           HB       THR  37 -23.330   9.133   9.133
  288    HG1  THR  37           HG1      THR  37 -21.546   7.899   7.899
  289   1HG2  THR  37          3HG2      THR  37 -22.150  11.307  11.307
  290   2HG2  THR  37          1HG2      THR  37 -20.627  10.386  10.386
  291   3HG2  THR  37          2HG2      THR  37 -21.527  10.565  10.565
  292    H    THR  38           HN       THR  38 -22.074   6.533   6.533
  293    HA   THR  38           HA       THR  38 -24.691   5.502   5.502
  294    HB   THR  38           HB       THR  38 -22.136   4.307   4.307
  295    HG1  THR  38           HG1      THR  38 -23.211   5.308   5.308
  296   1HG2  THR  38          2HG2      THR  38 -24.481   2.979   2.979
  297   2HG2  THR  38          3HG2      THR  38 -24.413   2.716   2.716
  298   3HG2  THR  38          1HG2      THR  38 -23.035   2.246   2.246
  299    H    LYS  39           HN       LYS  39 -24.286   6.380   6.380
  300    HA   LYS  39           HA       LYS  39 -22.437   5.305   5.305
  301   1HB   LYS  39          2HB       LYS  39 -24.109   5.782   5.782
  302   2HB   LYS  39          3HB       LYS  39 -23.836   7.116   7.116
  303   1HG   LYS  39          2HG       LYS  39 -25.994   7.089   7.089
  304   2HG   LYS  39          3HG       LYS  39 -25.983   5.352   5.352
  305   1HD   LYS  39          2HD       LYS  39 -26.850   4.924   4.924
  306   2HD   LYS  39          3HD       LYS  39 -26.005   6.267   6.267
  307   1HE   LYS  39          2HE       LYS  39 -28.106   7.031   7.031
  308   2HE   LYS  39          3HE       LYS  39 -28.702   6.257   6.257
  309   1HZ   LYS  39          2HZ       LYS  39 -26.916   8.591   8.591
  310   2HZ   LYS  39          3HZ       LYS  39 -28.521   8.636   8.636
  311   3HZ   LYS  39          1HZ       LYS  39 -27.518   7.884   7.884
  312    H    GLY  40           HN       GLY  40 -22.498   3.533   3.533
  313   1HA   GLY  40          1HA       GLY  40 -23.382   1.524   1.524
  314   2HA   GLY  40          2HA       GLY  40 -24.406   1.392   1.392
  315    H    SER  41           HN       SER  41 -21.844   2.324   2.324
  316    HA   SER  41           HA       SER  41 -20.721  -0.365  -0.365
  317   1HB   SER  41          2HB       SER  41 -20.934   1.736   1.736
  318   2HB   SER  41          3HB       SER  41 -20.125   0.192   0.192
  319    HG   SER  41           HG       SER  41 -22.593   0.564   0.564
  320    H    TYR  42           HN       TYR  42 -18.405  -0.594  -0.594
  321    HA   TYR  42           HA       TYR  42 -16.978   1.788   1.788
  322   1HB   TYR  42          2HB       TYR  42 -16.752  -1.243  -1.243
  323   2HB   TYR  42          3HB       TYR  42 -15.251  -0.342  -0.342
  324    HD1  TYR  42           HD2      TYR  42 -18.452  -1.009  -1.009
  325    HD2  TYR  42           HD1      TYR  42 -14.638   0.912   0.912
  326    HE1  TYR  42           HE2      TYR  42 -18.788  -0.650  -0.650
  327    HE2  TYR  42           HE1      TYR  42 -14.987   1.265   1.265
  328    HH   TYR  42           HH       TYR  42 -17.354  -0.349  -0.349
  329    H    SER  43           HN       SER  43 -14.770   2.190   2.190
  330    HA   SER  43           HA       SER  43 -14.430   1.115   1.115
  331   1HB   SER  43          2HB       SER  43 -14.051   4.065   4.065
  332   2HB   SER  43          3HB       SER  43 -13.935   3.317   3.317
  333    HG   SER  43           HG       SER  43 -15.995   3.957   3.957
  334    H    LEU  44           HN       LEU  44 -12.352   0.365   0.365
  335    HA   LEU  44           HA       LEU  44 -10.390   1.192   1.192
  336   1HB   LEU  44          2HB       LEU  44 -10.754  -1.135  -1.135
  337   2HB   LEU  44          3HB       LEU  44 -10.708  -1.266  -1.266
  338    HG   LEU  44           HG       LEU  44  -8.266  -0.600  -0.600
  339   1HD1  LEU  44          1HD1      LEU  44  -8.842   0.049   0.049
  340   2HD1  LEU  44          2HD1      LEU  44  -7.959  -1.490  -1.490
  341   3HD1  LEU  44          3HD1      LEU  44  -7.219  -0.117  -0.117
  342   1HD2  LEU  44          3HD2      LEU  44  -9.412  -3.164  -3.164
  343   2HD2  LEU  44          1HD2      LEU  44  -8.519  -2.826  -2.826
  344   3HD2  LEU  44          2HD2      LEU  44  -7.648  -2.929  -2.929
  345    H    SER  45           HN       SER  45  -8.301   1.915   1.915
  346    HA   SER  45           HA       SER  45  -7.992   2.407   2.407
  347   1HB   SER  45          2HB       SER  45  -7.374   4.538   4.538
  348   2HB   SER  45          3HB       SER  45  -7.366   4.720   4.720
  349    HG   SER  45           HG       SER  45  -9.359   5.369   5.369
  350    H    VAL  46           HN       VAL  46  -5.958   1.802   1.802
  351    HA   VAL  46           HA       VAL  46  -3.842   1.745   1.745
  352    HB   VAL  46           HB       VAL  46  -4.375  -0.380  -0.380
  353   1HG1  VAL  46          1HG1      VAL  46  -2.210   0.065   0.065
  354   2HG1  VAL  46          2HG1      VAL  46  -2.691  -1.597  -1.597
  355   3HG1  VAL  46          3HG1      VAL  46  -2.094  -0.498  -0.498
  356   1HG2  VAL  46          2HG2      VAL  46  -5.586   0.019   0.019
  357   2HG2  VAL  46          3HG2      VAL  46  -5.826  -1.311  -1.311
  358   3HG2  VAL  46          1HG2      VAL  46  -4.544  -1.423  -1.423
  359    H    ARG  47           HN       ARG  47  -1.643   1.900   1.900
  360    HA   ARG  47           HA       ARG  47  -1.751   3.638   3.638
  361   1HB   ARG  47          2HB       ARG  47  -0.399   4.066   4.066
  362   2HB   ARG  47          3HB       ARG  47   0.726   2.855   2.855
  363   1HG   ARG  47          2HG       ARG  47   1.180   4.162   4.162
  364   2HG   ARG  47          3HG       ARG  47  -0.082   5.310   5.310
  365   1HD   ARG  47          2HD       ARG  47   1.155   6.235   6.235
  366   2HD   ARG  47          3HD       ARG  47   2.193   4.829   4.829
  367    HE   ARG  47           HE       ARG  47   2.724   5.759   5.759
  368   1HH1  ARG  47          2HH2      ARG  47   2.766   7.233   7.233
  369   2HH1  ARG  47          1HH2      ARG  47   4.008   8.372   8.372
  370   1HH2  ARG  47          2HH1      ARG  47   4.363   7.261   7.261
  371   2HH2  ARG  47          1HH1      ARG  47   4.922   8.388   8.388
  372    H    ASP  48           HN       ASP  48  -0.594   3.249   3.249
  373    HA   ASP  48           HA       ASP  48   0.804   0.738   0.738
  374   1HB   ASP  48          2HB       ASP  48  -1.581   0.245   0.245
  375   2HB   ASP  48          3HB       ASP  48  -1.525   1.498   1.498
  376    H    TYR  49           HN       TYR  49   1.944   0.630   0.630
  377    HA   TYR  49           HA       TYR  49   2.273   3.309   3.309
  378   1HB   TYR  49          2HB       TYR  49   4.068   2.463   2.463
  379   2HB   TYR  49          3HB       TYR  49   4.463   1.221   1.221
  380    HD1  TYR  49           HD1      TYR  49   5.177   2.019   2.019
  381    HD2  TYR  49           HD2      TYR  49   5.112   4.563   4.563
  382    HE1  TYR  49           HE1      TYR  49   6.783   3.621   3.621
  383    HE2  TYR  49           HE2      TYR  49   6.719   6.157   6.157
  384    HH   TYR  49           HH       TYR  49   8.450   5.296   5.296
  385    H    ASP  50           HN       ASP  50   3.108   3.299   3.299
  386    HA   ASP  50           HA       ASP  50   2.927   0.692   0.692
  387   1HB   ASP  50          2HB       ASP  50   1.112   2.982   2.982
  388   2HB   ASP  50          3HB       ASP  50   1.855   2.521   2.521
  389    HA   PRO  51           HA       PRO  51   6.409   2.380   2.380
  390   1HB   PRO  51          2HB       PRO  51   6.662   0.627   0.627
  391   2HB   PRO  51          3HB       PRO  51   7.247   0.287   0.287
  392   1HG   PRO  51          2HG       PRO  51   4.855  -0.783  -0.783
  393   2HG   PRO  51          3HG       PRO  51   5.684  -1.409  -1.409
  394   1HD   PRO  51          2HD       PRO  51   3.216   0.053   0.053
  395   2HD   PRO  51          3HD       PRO  51   4.105  -0.472  -0.472
  396    H    ARG  52           HN       ARG  52   3.336   2.508   2.508
  397    HA   ARG  52           HA       ARG  52   4.258   3.916   3.916
  398   1HB   ARG  52          2HB       ARG  52   1.600   2.693   2.693
  399   2HB   ARG  52          3HB       ARG  52   1.648   3.888   3.888
  400   1HG   ARG  52          2HG       ARG  52   1.951   1.981   1.981
  401   2HG   ARG  52          3HG       ARG  52   3.630   2.335   2.335
  402   1HD   ARG  52          2HD       ARG  52   3.810   0.606   0.606
  403   2HD   ARG  52          3HD       ARG  52   2.097   0.619   0.619
  404    HE   ARG  52           HE       ARG  52   1.728  -0.883  -0.883
  405   1HH1  ARG  52          2HH2      ARG  52   4.889   0.608   0.608
  406   2HH1  ARG  52          1HH2      ARG  52   5.346  -0.418  -0.418
  407   1HH2  ARG  52          2HH1      ARG  52   2.330  -2.237  -2.237
  408   2HH2  ARG  52          1HH1      ARG  52   3.880  -2.047  -2.047
  409    H    GLN  53           HN       GLN  53   1.705   4.221   4.221
  410    HA   GLN  53           HA       GLN  53   1.561   7.029   7.029
  411   1HB   GLN  53          2HB       GLN  53   0.208   5.141   5.141
  412   2HB   GLN  53          3HB       GLN  53  -0.042   6.874   6.874
  413   1HG   GLN  53          2HG       GLN  53  -0.325   5.833   5.833
  414   2HG   GLN  53          3HG       GLN  53  -1.434   5.055   5.055
  415   1HE2  GLN  53          2HE2      GLN  53  -2.546   8.454   8.454
  416   2HE2  GLN  53          1HE2      GLN  53  -1.574   7.188   7.188
  417    H    GLY  54           HN       GLY  54   2.272   5.005   5.005
  418   1HA   GLY  54          1HA       GLY  54   4.508   5.527   5.527
  419   2HA   GLY  54          2HA       GLY  54   4.009   7.206   7.206
  420    H    ASP  55           HN       ASP  55   3.720   7.787   7.787
  421    HA   ASP  55           HA       ASP  55   2.855   6.023   6.023
  422   1HB   ASP  55          2HB       ASP  55   2.614   9.069   9.069
  423   2HB   ASP  55          3HB       ASP  55   2.534   8.074   8.074
  424    H    THR  56           HN       THR  56   0.800   5.081   5.081
  425    HA   THR  56           HA       THR  56  -1.471   6.873   6.873
  426    HB   THR  56           HB       THR  56  -2.470   5.169   5.169
  427    HG1  THR  56           HG1      THR  56  -0.245   3.538   3.538
  428   1HG2  THR  56          1HG2      THR  56   0.151   6.042   6.042
  429   2HG2  THR  56          2HG2      THR  56   0.175   4.279   4.279
  430   3HG2  THR  56          3HG2      THR  56  -1.019   5.279   5.279
  431    H    VAL  57           HN       VAL  57  -3.592   5.825   5.825
  432    HA   VAL  57           HA       VAL  57  -3.052   4.348   4.348
  433    HB   VAL  57           HB       VAL  57  -4.827   6.787   6.787
  434   1HG1  VAL  57          3HG1      VAL  57  -4.620   4.682   4.682
  435   2HG1  VAL  57          1HG1      VAL  57  -3.746   6.041   6.041
  436   3HG1  VAL  57          2HG1      VAL  57  -5.439   6.245   6.245
  437   1HG2  VAL  57          3HG2      VAL  57  -1.896   6.542   6.542
  438   2HG2  VAL  57          1HG2      VAL  57  -2.745   7.777   7.777
  439   3HG2  VAL  57          2HG2      VAL  57  -2.901   7.766   7.766
  440    H    LYS  58           HN       LYS  58  -4.385   2.618   2.618
  441    HA   LYS  58           HA       LYS  58  -6.631   2.526   2.526
  442   1HB   LYS  58          2HB       LYS  58  -5.226   0.377   0.377
  443   2HB   LYS  58          3HB       LYS  58  -6.628   0.091   0.091
  444   1HG   LYS  58          2HG       LYS  58  -4.321   1.558   1.558
  445   2HG   LYS  58          3HG       LYS  58  -4.090  -0.148  -0.148
  446   1HD   LYS  58          2HD       LYS  58  -6.710   0.484   0.484
  447   2HD   LYS  58          3HD       LYS  58  -5.332   0.886   0.886
  448   1HE   LYS  58          2HE       LYS  58  -4.431  -1.462  -1.462
  449   2HE   LYS  58          3HE       LYS  58  -5.920  -1.837  -1.837
  450   1HZ   LYS  58          2HZ       LYS  58  -5.994  -0.750  -0.750
  451   2HZ   LYS  58          3HZ       LYS  58  -5.768  -2.348  -2.348
  452   3HZ   LYS  58          1HZ       LYS  58  -7.132  -1.624  -1.624
  453    H    HIS  59           HN       HIS  59  -8.779   1.989   1.989
  454    HA   HIS  59           HA       HIS  59  -9.204   2.188   2.188
  455   1HB   HIS  59          2HB       HIS  59 -10.719   3.834   3.834
  456   2HB   HIS  59          3HB       HIS  59 -11.025   3.790   3.790
  457    HD1  HIS  59           HD1      HIS  59  -9.340   5.043   5.043
  458    HD2  HIS  59           HD2      HIS  59  -8.491   5.381   5.381
  459    HE1  HIS  59           HE1      HIS  59  -7.617   6.912   6.912
  460    H    TYR  60           HN       TYR  60 -10.399   0.476   0.476
  461    HA   TYR  60           HA       TYR  60 -12.155  -0.754  -0.754
  462   1HB   TYR  60          2HB       TYR  60 -10.988  -1.995  -1.995
  463   2HB   TYR  60          3HB       TYR  60 -11.577  -2.847  -2.847
  464    HD1  TYR  60           HD2      TYR  60  -8.798  -0.735  -0.735
  465    HD2  TYR  60           HD1      TYR  60 -10.132  -3.360  -3.360
  466    HE1  TYR  60           HE2      TYR  60  -6.430  -0.867  -0.867
  467    HE2  TYR  60           HE1      TYR  60  -7.760  -3.482  -3.482
  468    HH   TYR  60           HH       TYR  60  -5.567  -3.158  -3.158
  469    H    LYS  61           HN       LYS  61 -14.128  -1.828  -1.828
  470    HA   LYS  61           HA       LYS  61 -15.194  -0.204  -0.204
  471   1HB   LYS  61          2HB       LYS  61 -17.255  -0.354  -0.354
  472   2HB   LYS  61          3HB       LYS  61 -16.231  -0.426  -0.426
  473   1HG   LYS  61          2HG       LYS  61 -17.343  -2.866  -2.866
  474   2HG   LYS  61          3HG       LYS  61 -18.025  -2.188  -2.188
  475   1HD   LYS  61          2HD       LYS  61 -15.625  -2.500  -2.500
  476   2HD   LYS  61          3HD       LYS  61 -15.330  -3.548  -3.548
  477   1HE   LYS  61          2HE       LYS  61 -17.442  -4.846  -4.846
  478   2HE   LYS  61          3HE       LYS  61 -17.504  -3.886  -3.886
  479   1HZ   LYS  61          1HZ       LYS  61 -15.093  -4.660  -4.660
  480   2HZ   LYS  61          2HZ       LYS  61 -15.496  -5.837  -5.837
  481   3HZ   LYS  61          3HZ       LYS  61 -16.294  -5.706  -5.706
  482    H    ILE  62           HN       ILE  62 -16.557  -1.271  -1.271
  483    HA   ILE  62           HA       ILE  62 -15.852  -4.097  -4.097
  484    HB   ILE  62           HB       ILE  62 -15.636  -1.878  -1.878
  485   1HG1  ILE  62          2HG1      ILE  62 -13.514  -3.907  -3.907
  486   2HG1  ILE  62          3HG1      ILE  62 -13.754  -2.549  -2.549
  487   1HG2  ILE  62          3HG2      ILE  62 -16.437  -4.594  -4.594
  488   2HG2  ILE  62          1HG2      ILE  62 -14.814  -4.349  -4.349
  489   3HG2  ILE  62          2HG2      ILE  62 -16.160  -3.298  -3.298
  490   1HD1  ILE  62          3HD1      ILE  62 -13.746  -1.719  -1.719
  491   2HD1  ILE  62          1HD1      ILE  62 -12.233  -2.521  -2.521
  492   3HD1  ILE  62          2HD1      ILE  62 -12.803  -1.085  -1.085
  493    H    ARG  63           HN       ARG  63 -17.782  -5.081  -5.081
  494    HA   ARG  63           HA       ARG  63 -20.148  -3.781  -3.781
  495   1HB   ARG  63          2HB       ARG  63 -19.587  -6.022  -6.022
  496   2HB   ARG  63          3HB       ARG  63 -21.175  -5.938  -5.938
  497   1HG   ARG  63          2HG       ARG  63 -20.138  -3.341  -3.341
  498   2HG   ARG  63          3HG       ARG  63 -20.446  -4.561  -4.561
  499   1HD   ARG  63          2HD       ARG  63 -22.768  -4.884  -4.884
  500   2HD   ARG  63          3HD       ARG  63 -22.442  -3.533  -3.533
  501    HE   ARG  63           HE       ARG  63 -21.915  -2.788  -2.788
  502   1HH1  ARG  63          1HH2      ARG  63 -25.651  -2.301  -2.301
  503   2HH1  ARG  63          2HH2      ARG  63 -24.548  -3.353  -3.353
  504   1HH2  ARG  63          2HH1      ARG  63 -23.369  -1.400  -1.400
  505   2HH2  ARG  63          1HH1      ARG  63 -24.976  -1.183  -1.183
  506    H    THR  64           HN       THR  64 -21.811  -5.145  -5.145
  507    HA   THR  64           HA       THR  64 -20.440  -7.114  -7.114
  508    HB   THR  64           HB       THR  64 -22.036  -6.355  -6.355
  509    HG1  THR  64           HG1      THR  64 -23.854  -5.502  -5.502
  510   1HG2  THR  64          1HG2      THR  64 -20.423  -4.270  -4.270
  511   2HG2  THR  64          2HG2      THR  64 -21.531  -3.734  -3.734
  512   3HG2  THR  64          3HG2      THR  64 -20.213  -4.869  -4.869
  513    H    LEU  65           HN       LEU  65 -21.774  -8.903  -8.903
  514    HA   LEU  65           HA       LEU  65 -23.690  -9.704  -9.704
  515   1HB   LEU  65          2HB       LEU  65 -22.037 -11.423 -11.423
  516   2HB   LEU  65          3HB       LEU  65 -23.149 -11.999 -11.999
  517    HG   LEU  65           HG       LEU  65 -20.891 -10.209 -10.209
  518   1HD1  LEU  65          3HD1      LEU  65 -20.600 -13.161 -13.161
  519   2HD1  LEU  65          1HD1      LEU  65 -19.417 -12.173 -12.173
  520   3HD1  LEU  65          2HD1      LEU  65 -19.777 -11.807 -11.807
  521   1HD2  LEU  65          1HD2      LEU  65 -22.581 -12.351 -12.351
  522   2HD2  LEU  65          2HD2      LEU  65 -22.302 -10.670 -10.670
  523   3HD2  LEU  65          3HD2      LEU  65 -21.013 -11.885 -11.885
  524    H    ASP  66           HN       ASP  66 -25.623 -10.881 -10.881
  525    HA   ASP  66           HA       ASP  66 -26.982  -9.583  -9.583
  526   1HB   ASP  66          2HB       ASP  66 -27.275 -12.220 -12.220
  527   2HB   ASP  66          3HB       ASP  66 -28.268 -11.988 -11.988
  528    H    ASN  67           HN       ASN  67 -25.488 -12.912 -12.912
  529    HA   ASN  67           HA       ASN  67 -25.351 -12.560 -12.560
  530   1HB   ASN  67          2HB       ASN  67 -26.355 -14.831 -14.831
  531   2HB   ASN  67          3HB       ASN  67 -25.295 -15.312 -15.312
  532   1HD2  ASN  67          2HD2      ASN  67 -28.382 -15.501 -15.501
  533   2HD2  ASN  67          1HD2      ASN  67 -27.249 -16.372 -16.372
  534    H    GLY  68           HN       GLY  68 -23.145 -11.624 -11.624
  535   1HA   GLY  68          1HA       GLY  68 -21.132 -13.682 -13.682
  536   2HA   GLY  68          2HA       GLY  68 -21.171 -12.832 -12.832
  537    H    GLY  69           HN       GLY  69 -20.105 -10.891 -10.891
  538   1HA   GLY  69          1HA       GLY  69 -19.836  -9.115  -9.115
  539   2HA   GLY  69          2HA       GLY  69 -18.349  -9.960  -9.960
  540    H    PHE  70           HN       PHE  70 -17.042  -9.154  -9.154
  541    HA   PHE  70           HA       PHE  70 -18.303  -7.424  -7.424
  542   1HB   PHE  70          2HB       PHE  70 -15.617  -6.860  -6.860
  543   2HB   PHE  70          3HB       PHE  70 -16.576  -5.741  -5.741
  544    HD1  PHE  70           HD2      PHE  70 -16.853  -7.772  -7.772
  545    HD2  PHE  70           HD1      PHE  70 -17.816  -4.155  -4.155
  546    HE1  PHE  70           HE2      PHE  70 -17.903  -6.889  -6.889
  547    HE2  PHE  70           HE1      PHE  70 -18.866  -3.272  -3.272
  548   1HZ   PHE  70           HZ       PHE  70 -18.897  -4.650  -4.650
  549    H    TYR  71           HN       TYR  71 -17.526  -7.715  -7.715
  550    HA   TYR  71           HA       TYR  71 -15.019  -9.208  -9.208
  551   1HB   TYR  71          2HB       TYR  71 -16.189 -10.670 -10.670
  552   2HB   TYR  71          3HB       TYR  71 -17.126 -10.675 -10.675
  553    HD1  TYR  71           HD2      TYR  71 -19.186  -9.170  -9.170
  554    HD2  TYR  71           HD1      TYR  71 -17.143  -9.954  -9.954
  555    HE1  TYR  71           HE2      TYR  71 -21.238  -8.432  -8.432
  556    HE2  TYR  71           HE1      TYR  71 -19.202  -9.213  -9.213
  557    HH   TYR  71           HH       TYR  71 -22.017  -9.173  -9.173
  558    H    ILE  72           HN       ILE  72 -13.850  -8.775  -8.775
  559    HA   ILE  72           HA       ILE  72 -14.845  -6.401  -6.401
  560    HB   ILE  72           HB       ILE  72 -12.062  -7.356  -7.356
  561   1HG1  ILE  72          2HG1      ILE  72 -13.476  -4.744  -4.744
  562   2HG1  ILE  72          3HG1      ILE  72 -13.332  -6.081  -6.081
  563   1HG2  ILE  72          1HG2      ILE  72 -13.002  -5.583  -5.583
  564   2HG2  ILE  72          2HG2      ILE  72 -11.589  -5.036  -5.036
  565   3HG2  ILE  72          3HG2      ILE  72 -11.556  -6.614  -6.614
  566   1HD1  ILE  72          2HD1      ILE  72 -10.774  -5.940  -5.940
  567   2HD1  ILE  72          3HD1      ILE  72 -11.103  -4.373  -4.373
  568   3HD1  ILE  72          1HD1      ILE  72 -11.522  -4.624  -4.624
  569    H    SER  73           HN       SER  73 -13.215  -9.603  -9.603
  570    HA   SER  73           HA       SER  73 -13.975  -9.474  -9.474
  571   1HB   SER  73          2HB       SER  73 -11.478  -9.679  -9.679
  572   2HB   SER  73          3HB       SER  73 -11.856 -11.306 -11.306
  573    HG   SER  73           HG       SER  73 -11.164 -10.670 -10.670
  574    HA   PRO  74           HA       PRO  74 -16.587 -12.848 -12.848
  575   1HB   PRO  74          2HB       PRO  74 -17.126 -13.722 -13.722
  576   2HB   PRO  74          3HB       PRO  74 -17.945 -12.359 -12.359
  577   1HG   PRO  74          2HG       PRO  74 -15.840 -12.354 -12.354
  578   2HG   PRO  74          3HG       PRO  74 -16.952 -11.073 -11.073
  579   1HD   PRO  74          2HD       PRO  74 -14.177 -11.250 -11.250
  580   2HD   PRO  74          3HD       PRO  74 -15.317 -10.031 -10.031
  581    H    ARG  75           HN       ARG  75 -14.249 -13.567 -13.567
  582    HA   ARG  75           HA       ARG  75 -14.065 -16.224 -16.224
  583   1HB   ARG  75          2HB       ARG  75 -11.648 -14.481 -14.481
  584   2HB   ARG  75          3HB       ARG  75 -11.573 -16.136 -16.136
  585   1HG   ARG  75          2HG       ARG  75 -13.043 -14.067 -14.067
  586   2HG   ARG  75          3HG       ARG  75 -11.292 -14.117 -14.117
  587   1HD   ARG  75          2HD       ARG  75 -12.203 -16.832 -16.832
  588   2HD   ARG  75          3HD       ARG  75 -13.192 -15.871 -15.871
  589    HE   ARG  75           HE       ARG  75 -10.672 -14.922 -14.922
  590   1HH1  ARG  75          2HH2      ARG  75 -11.993 -18.178 -18.178
  591   2HH1  ARG  75          1HH2      ARG  75 -10.885 -18.831 -18.831
  592   1HH2  ARG  75          2HH1      ARG  75  -9.209 -15.782 -15.782
  593   2HH2  ARG  75          1HH1      ARG  75  -9.290 -17.459 -17.459
  594    H    SER  76           HN       SER  76 -12.597 -14.089 -14.089
  595    HA   SER  76           HA       SER  76 -13.433 -16.106 -16.106
  596   1HB   SER  76          2HB       SER  76 -10.711 -14.752 -14.752
  597   2HB   SER  76          3HB       SER  76 -11.257 -15.572 -15.572
  598    HG   SER  76           HG       SER  76 -10.302 -16.637 -16.637
  599    H    THR  77           HN       THR  77 -14.995 -15.055 -15.055
  600    HA   THR  77           HA       THR  77 -14.761 -12.188 -12.188
  601    HB   THR  77           HB       THR  77 -17.081 -12.465 -12.465
  602    HG1  THR  77           HG1      THR  77 -16.451 -14.627 -14.627
  603   1HG2  THR  77          1HG2      THR  77 -16.340 -13.940 -13.940
  604   2HG2  THR  77          2HG2      THR  77 -18.023 -13.951 -13.951
  605   3HG2  THR  77          3HG2      THR  77 -17.229 -12.409 -12.409
  606    H    PHE  78           HN       PHE  78 -15.379 -11.365 -11.365
  607    HA   PHE  78           HA       PHE  78 -14.084 -13.047 -13.047
  608   1HB   PHE  78          2HB       PHE  78 -13.677 -10.036 -10.036
  609   2HB   PHE  78          3HB       PHE  78 -12.868 -10.976 -10.976
  610    HD1  PHE  78           HD2      PHE  78 -13.212 -10.649 -10.649
  611    HD2  PHE  78           HD1      PHE  78 -10.831 -12.035 -12.035
  612    HE1  PHE  78           HE2      PHE  78 -11.334 -11.132 -11.132
  613    HE2  PHE  78           HE1      PHE  78  -8.953 -12.518 -12.518
  614   1HZ   PHE  78           HZ       PHE  78  -9.227 -12.061 -12.061
  615    H    SER  79           HN       SER  79 -14.812 -12.696 -12.696
  616    HA   SER  79           HA       SER  79 -17.445 -11.576 -11.576
  617   1HB   SER  79          2HB       SER  79 -15.751 -13.179 -13.179
  618   2HB   SER  79          3HB       SER  79 -17.219 -12.401 -12.401
  619    HG   SER  79           HG       SER  79 -17.918 -14.399 -14.399
  620    H    THR  80           HN       THR  80 -14.156 -10.695 -10.695
  621    HA   THR  80           HA       THR  80 -15.170  -8.192  -8.192
  622    HB   THR  80           HB       THR  80 -13.476  -8.377  -8.377
  623    HG1  THR  80           HG1      THR  80 -12.330 -10.453 -10.453
  624   1HG2  THR  80          2HG2      THR  80 -15.320 -10.798 -10.798
  625   2HG2  THR  80          3HG2      THR  80 -14.365 -10.489 -10.489
  626   3HG2  THR  80          1HG2      THR  80 -15.623  -9.334  -9.334
  627    H    LEU  81           HN       LEU  81 -13.856  -6.368  -6.368
  628    HA   LEU  81           HA       LEU  81 -12.297  -6.591  -6.591
  629   1HB   LEU  81          2HB       LEU  81 -13.207  -4.402  -4.402
  630   2HB   LEU  81          3HB       LEU  81 -11.863  -4.085  -4.085
  631    HG   LEU  81           HG       LEU  81 -14.476  -5.202  -5.202
  632   1HD1  LEU  81          1HD1      LEU  81 -13.762  -2.277  -2.277
  633   2HD1  LEU  81          2HD1      LEU  81 -15.169  -2.906  -2.906
  634   3HD1  LEU  81          3HD1      LEU  81 -15.035  -3.170  -3.170
  635   1HD2  LEU  81          1HD2      LEU  81 -11.979  -4.118  -4.118
  636   2HD2  LEU  81          2HD2      LEU  81 -13.066  -5.407  -5.407
  637   3HD2  LEU  81          3HD2      LEU  81 -13.511  -3.699  -3.699
  638    H    GLN  82           HN       GLN  82 -11.694  -6.860  -6.860
  639    HA   GLN  82           HA       GLN  82  -9.022  -5.999  -5.999
  640   1HB   GLN  82          2HB       GLN  82 -10.553  -6.208  -6.208
  641   2HB   GLN  82          3HB       GLN  82 -10.268  -7.936  -7.936
  642   1HG   GLN  82          2HG       GLN  82  -8.239  -7.706  -7.706
  643   2HG   GLN  82          3HG       GLN  82  -7.724  -6.534  -6.534
  644   1HE2  GLN  82          2HE2      GLN  82  -7.470  -4.605  -4.605
  645   2HE2  GLN  82          1HE2      GLN  82  -6.648  -5.793  -5.793
  646    H    GLU  83           HN       GLU  83 -10.706  -9.032  -9.032
  647    HA   GLU  83           HA       GLU  83  -8.262 -10.526 -10.526
  648   1HB   GLU  83          2HB       GLU  83 -11.087 -11.284 -11.284
  649   2HB   GLU  83          3HB       GLU  83  -9.744 -12.407 -12.407
  650   1HG   GLU  83          2HG       GLU  83 -10.376 -10.755 -10.755
  651   2HG   GLU  83          3HG       GLU  83 -11.418 -12.112 -12.112
  652    H    LEU  84           HN       LEU  84 -10.187  -8.656  -8.656
  653    HA   LEU  84           HA       LEU  84  -9.149  -9.949  -9.949
  654   1HB   LEU  84          2HB       LEU  84 -11.280  -9.075  -9.075
  655   2HB   LEU  84          3HB       LEU  84 -10.892  -7.581  -7.581
  656    HG   LEU  84           HG       LEU  84  -9.515  -8.179  -8.179
  657   1HD1  LEU  84          3HD1      LEU  84 -12.411  -7.400  -7.400
  658   2HD1  LEU  84          1HD1      LEU  84 -11.461  -6.946  -6.946
  659   3HD1  LEU  84          2HD1      LEU  84 -11.690  -8.663  -8.663
  660   1HD2  LEU  84          3HD2      LEU  84 -10.406  -5.672  -5.672
  661   2HD2  LEU  84          1HD2      LEU  84  -8.746  -6.237  -6.237
  662   3HD2  LEU  84          2HD2      LEU  84  -9.758  -5.682  -5.682
  663    H    VAL  85           HN       VAL  85  -8.315  -7.194  -7.194
  664    HA   VAL  85           HA       VAL  85  -6.454  -6.072  -6.072
  665    HB   VAL  85           HB       VAL  85  -7.141  -5.721  -5.721
  666   1HG1  VAL  85          3HG1      VAL  85  -4.609  -4.954  -4.954
  667   2HG1  VAL  85          1HG1      VAL  85  -5.410  -3.670  -3.670
  668   3HG1  VAL  85          2HG1      VAL  85  -4.969  -5.204  -5.204
  669   1HG2  VAL  85          2HG2      VAL  85  -7.643  -4.326  -4.326
  670   2HG2  VAL  85          3HG2      VAL  85  -8.614  -4.382  -4.382
  671   3HG2  VAL  85          1HG2      VAL  85  -7.233  -3.266  -3.266
  672    H    ASP  86           HN       ASP  86  -6.158  -8.090  -8.090
  673    HA   ASP  86           HA       ASP  86  -3.429  -8.296  -8.296
  674   1HB   ASP  86          2HB       ASP  86  -5.686  -9.920  -9.920
  675   2HB   ASP  86          3HB       ASP  86  -4.116 -10.697 -10.697
  676    H    HIS  87           HN       HIS  87  -6.021  -9.988  -9.988
  677    HA   HIS  87           HA       HIS  87  -4.427 -12.143 -12.143
  678   1HB   HIS  87          2HB       HIS  87  -6.864 -12.261 -12.261
  679   2HB   HIS  87          3HB       HIS  87  -7.020 -10.991 -10.991
  680    HD1  HIS  87           HD1      HIS  87  -6.563 -14.648 -14.648
  681    HD2  HIS  87           HD2      HIS  87  -6.194 -11.782 -11.782
  682    HE1  HIS  87           HE1      HIS  87  -6.489 -15.942 -15.942
  683    H    TYR  88           HN       TYR  88  -5.282  -8.898  -8.898
  684    HA   TYR  88           HA       TYR  88  -3.945  -9.359  -9.359
  685   1HB   TYR  88          2HB       TYR  88  -5.260  -7.132  -7.132
  686   2HB   TYR  88          3HB       TYR  88  -4.202  -6.636  -6.636
  687    HD1  TYR  88           HD1      TYR  88  -4.776  -8.757  -8.757
  688    HD2  TYR  88           HD2      TYR  88  -7.406  -6.571  -6.571
  689    HE1  TYR  88           HE1      TYR  88  -6.678  -9.083  -9.083
  690    HE2  TYR  88           HE2      TYR  88  -9.299  -6.904  -6.904
  691    HH   TYR  88           HH       TYR  88  -9.791  -7.508  -7.508
  692    H    LYS  89           HN       LYS  89  -2.978  -8.422  -8.422
  693    HA   LYS  89           HA       LYS  89  -0.661  -6.972  -6.972
  694   1HB   LYS  89          2HB       LYS  89  -1.704  -7.999  -7.999
  695   2HB   LYS  89          3HB       LYS  89  -0.104  -7.299  -7.299
  696   1HG   LYS  89          2HG       LYS  89  -1.618  -5.432  -5.432
  697   2HG   LYS  89          3HG       LYS  89  -2.769  -5.979  -5.979
  698   1HD   LYS  89          2HD       LYS  89  -0.012  -5.445  -5.445
  699   2HD   LYS  89          3HD       LYS  89  -0.881  -4.035  -4.035
  700   1HE   LYS  89          2HE       LYS  89  -2.038  -3.988  -3.988
  701   2HE   LYS  89          3HE       LYS  89  -2.771  -5.523  -5.523
  702   1HZ   LYS  89          2HZ       LYS  89  -0.434  -6.350  -6.350
  703   2HZ   LYS  89          3HZ       LYS  89  -0.547  -4.989  -4.989
  704   3HZ   LYS  89          1HZ       LYS  89  -1.705  -6.136  -6.136
  705    H    LYS  90           HN       LYS  90  -1.546 -10.343 -10.343
  706    HA   LYS  90           HA       LYS  90   1.196 -11.189 -11.189
  707   1HB   LYS  90          2HB       LYS  90  -1.490 -12.536 -12.536
  708   2HB   LYS  90          3HB       LYS  90  -0.049 -13.492 -13.492
  709   1HG   LYS  90          2HG       LYS  90   0.865 -12.095 -12.095
  710   2HG   LYS  90          3HG       LYS  90  -0.846 -11.935 -11.935
  711   1HD   LYS  90          2HD       LYS  90  -1.109 -14.415 -14.415
  712   2HD   LYS  90          3HD       LYS  90   0.593 -14.589 -14.589
  713   1HE   LYS  90          2HE       LYS  90   1.274 -14.138 -14.138
  714   2HE   LYS  90          3HE       LYS  90  -0.008 -12.977 -12.977
  715   1HZ   LYS  90          3HZ       LYS  90  -0.590 -15.833 -15.833
  716   2HZ   LYS  90          1HZ       LYS  90  -0.149 -15.179 -15.179
  717   3HZ   LYS  90          2HZ       LYS  90  -1.508 -14.668 -14.668
  718    H    GLY  91           HN       GLY  91  -1.288 -10.730 -10.730
  719   1HA   GLY  91          1HA       GLY  91   0.601 -10.880 -10.880
  720   2HA   GLY  91          2HA       GLY  91  -0.287 -12.387 -12.387
  721    H    ASN  92           HN       ASN  92  -0.308 -10.127 -10.127
  722    HA   ASN  92           HA       ASN  92  -2.490  -8.558  -8.558
  723   1HB   ASN  92          2HB       ASN  92  -2.571  -9.030  -9.030
  724   2HB   ASN  92          3HB       ASN  92  -1.204  -8.187  -8.187
  725   1HD2  ASN  92          2HD2      ASN  92  -0.566 -11.434 -11.434
  726   2HD2  ASN  92          1HD2      ASN  92  -1.916 -10.351 -10.351
  727    H    ASP  93           HN       ASP  93  -2.236 -11.942 -11.942
  728    HA   ASP  93           HA       ASP  93  -3.767 -13.379 -13.379
  729   1HB   ASP  93          2HB       ASP  93  -3.744 -13.329 -13.329
  730   2HB   ASP  93          3HB       ASP  93  -5.302 -12.538 -12.538
  731    H    GLY  94           HN       GLY  94  -4.294 -11.190 -11.190
  732   1HA   GLY  94          1HA       GLY  94  -6.582 -11.184 -11.184
  733   2HA   GLY  94          2HA       GLY  94  -7.136 -10.500 -10.500
  734    H    LEU  95           HN       LEU  95  -5.122  -8.751  -8.751
  735    HA   LEU  95           HA       LEU  95  -5.597  -6.587  -6.587
  736   1HB   LEU  95          2HB       LEU  95  -3.708  -6.888  -6.888
  737   2HB   LEU  95          3HB       LEU  95  -4.079  -5.376  -5.376
  738    HG   LEU  95           HG       LEU  95  -6.045  -7.117  -7.117
  739   1HD1  LEU  95          1HD1      LEU  95  -4.169  -5.198  -5.198
  740   2HD1  LEU  95          2HD1      LEU  95  -5.785  -4.464  -4.464
  741   3HD1  LEU  95          3HD1      LEU  95  -5.452  -6.023  -6.023
  742   1HD2  LEU  95          1HD2      LEU  95  -6.417  -4.634  -4.634
  743   2HD2  LEU  95          2HD2      LEU  95  -7.369  -6.138  -6.138
  744   3HD2  LEU  95          3HD2      LEU  95  -7.493  -4.987  -4.987
  745    H    CYS  96           HN       CYS  96  -3.758  -5.196  -5.196
  746    HA   CYS  96           HA       CYS  96  -2.306  -6.797  -6.797
  747   1HB   CYS  96          2HB       CYS  96  -1.450  -4.734  -4.734
  748   2HB   CYS  96          3HB       CYS  96  -3.145  -4.506  -4.506
  749    HG   CYS  96           HG       CYS  96  -2.940  -3.137  -3.137
  750    H    GLN  97           HN       GLN  97  -1.541  -4.968  -4.968
  751    HA   GLN  97           HA       GLN  97   0.890  -6.539  -6.539
  752   1HB   GLN  97          2HB       GLN  97   0.696  -3.514  -3.514
  753   2HB   GLN  97          3HB       GLN  97   1.999  -4.375  -4.375
  754   1HG   GLN  97          2HG       GLN  97   3.110  -4.467  -4.467
  755   2HG   GLN  97          3HG       GLN  97   1.839  -5.484  -5.484
  756   1HE2  GLN  97          2HE2      GLN  97   1.560  -1.368  -1.368
  757   2HE2  GLN  97          1HE2      GLN  97   2.189  -2.060  -2.060
  758    H    LYS  98           HN       LYS  98   1.338  -7.273  -7.273
  759    HA   LYS  98           HA       LYS  98  -0.680  -7.364  -7.364
  760   1HB   LYS  98          2HB       LYS  98   0.976  -8.260  -8.260
  761   2HB   LYS  98          3HB       LYS  98   1.236  -8.900  -8.900
  762   1HG   LYS  98          2HG       LYS  98   3.172  -7.587  -7.587
  763   2HG   LYS  98          3HG       LYS  98   2.716  -6.396  -6.396
  764   1HD   LYS  98          2HD       LYS  98   3.689  -7.565  -7.565
  765   2HD   LYS  98          3HD       LYS  98   3.032  -9.095  -9.095
  766   1HE   LYS  98          2HE       LYS  98   5.014  -8.235  -8.235
  767   2HE   LYS  98          3HE       LYS  98   5.715  -8.094  -8.094
  768   1HZ   LYS  98          3HZ       LYS  98   4.437 -10.454 -10.454
  769   2HZ   LYS  98          1HZ       LYS  98   4.993 -10.434 -10.434
  770   3HZ   LYS  98          2HZ       LYS  98   6.033 -10.262 -10.262
  771    H    LEU  99           HN       LEU  99  -0.569  -6.485  -6.485
  772    HA   LEU  99           HA       LEU  99  -0.369  -3.614  -3.614
  773   1HB   LEU  99          2HB       LEU  99  -1.500  -5.510  -5.510
  774   2HB   LEU  99          3HB       LEU  99  -1.300  -3.805  -3.805
  775    HG   LEU  99           HG       LEU  99  -3.096  -5.096  -5.096
  776   1HD1  LEU  99          1HD1      LEU  99  -3.586  -3.222  -3.222
  777   2HD1  LEU  99          2HD1      LEU  99  -4.825  -3.739  -3.739
  778   3HD1  LEU  99          3HD1      LEU  99  -4.036  -4.940  -4.940
  779   1HD2  LEU  99          3HD2      LEU  99  -1.912  -2.371  -2.371
  780   2HD2  LEU  99          1HD2      LEU  99  -2.477  -3.404  -3.404
  781   3HD2  LEU  99          2HD2      LEU  99  -3.653  -2.504  -2.504
  782    H    SER 100           HN       SER 100   1.141  -2.300  -2.300
  783    HA   SER 100           HA       SER 100   3.369  -3.740  -3.740
  784   1HB   SER 100          2HB       SER 100   4.649  -1.666  -1.666
  785   2HB   SER 100          3HB       SER 100   3.853  -2.199  -2.199
  786    HG   SER 100           HG       SER 100   3.651   0.198   0.198
  787    H    VAL 101           HN       VAL 101   2.117  -0.381  -0.381
  788    HA   VAL 101           HA       VAL 101   1.715  -1.081  -1.081
  789    HB   VAL 101           HB       VAL 101   2.888   0.994   0.994
  790   1HG1  VAL 101          2HG1      VAL 101   4.400  -1.221  -1.221
  791   2HG1  VAL 101          3HG1      VAL 101   5.243   0.097   0.097
  792   3HG1  VAL 101          1HG1      VAL 101   4.131  -0.968  -0.968
  793   1HG2  VAL 101          1HG2      VAL 101   3.267   1.200   1.200
  794   2HG2  VAL 101          2HG2      VAL 101   3.091   2.475   2.475
  795   3HG2  VAL 101          3HG2      VAL 101   4.655   1.651   1.651
  796    HA   PRO 102           HA       PRO 102  -1.778   1.400   1.400
  797   1HB   PRO 102          2HB       PRO 102  -2.355   2.140   2.140
  798   2HB   PRO 102          3HB       PRO 102  -2.767   0.570   0.570
  799   1HG   PRO 102          2HG       PRO 102  -0.603   1.277   1.277
  800   2HG   PRO 102          3HG       PRO 102  -1.295  -0.297  -0.297
  801   1HD   PRO 102          2HD       PRO 102   1.222   0.708   0.708
  802   2HD   PRO 102          3HD       PRO 102   0.477  -0.819  -0.819
  803    H    CYS 103           HN       CYS 103  -2.588   3.467   3.467
  804    HA   CYS 103           HA       CYS 103  -0.787   5.375   5.375
  805   1HB   CYS 103          2HB       CYS 103  -3.354   5.290   5.290
  806   2HB   CYS 103          3HB       CYS 103  -3.487   6.158   6.158
  807    HG   CYS 103           HG       CYS 103  -1.317   7.024   7.024
  808    H    MET 104           HN       MET 104  -0.158   7.412   7.412
  809    HA   MET 104           HA       MET 104   0.184   6.862   6.862
  810   1HB   MET 104          2HB       MET 104   1.472   8.894   8.894
  811   2HB   MET 104          3HB       MET 104   1.892   8.759   8.759
  812   1HG   MET 104          2HG       MET 104   2.020   6.298   6.298
  813   2HG   MET 104          3HG       MET 104   3.327   7.466   7.466
  814   1HE   MET 104          3HE       MET 104   1.263   5.062   5.062
  815   2HE   MET 104          1HE       MET 104   2.331   4.292   4.292
  816   3HE   MET 104          2HE       MET 104   1.285   5.649   5.649
  817    H    SER 105           HN       SER 105   0.117   8.846   8.846
  818    HA   SER 105           HA       SER 105  -1.358  11.078  11.078
  819   1HB   SER 105          2HB       SER 105  -2.971   8.829   8.829
  820   2HB   SER 105          3HB       SER 105  -3.062   9.771   9.771
  821    HG   SER 105           HG       SER 105  -3.499  11.668  11.668
  822    H    SER 106           HN       SER 106   0.076  12.375  12.375
  823    HA   SER 106           HA       SER 106   1.007  11.588  11.588
  824   1HB   SER 106          2HB       SER 106   2.189  13.723  13.723
  825   2HB   SER 106          3HB       SER 106   2.317  12.997  12.997
  826    HG   SER 106           HG       SER 106   0.091  14.478  14.478
  827    H    LYS 107           HN       LYS 107   0.528  12.573  12.573
  828    HA   LYS 107           HA       LYS 107  -1.914  14.198  14.198
  829   1HB   LYS 107          2HB       LYS 107  -2.204  11.681  11.681
  830   2HB   LYS 107          3HB       LYS 107  -1.396  12.065  12.065
  831   1HG   LYS 107          2HG       LYS 107  -3.137  14.026  14.026
  832   2HG   LYS 107          3HG       LYS 107  -4.030  13.158  13.158
  833   1HD   LYS 107          2HD       LYS 107  -3.148  11.324  11.324
  834   2HD   LYS 107          3HD       LYS 107  -4.047  12.661  12.661
  835   1HE   LYS 107          2HE       LYS 107  -5.721  11.054  11.054
  836   2HE   LYS 107          3HE       LYS 107  -5.827  12.225  12.225
  837   1HZ   LYS 107          3HZ       LYS 107  -4.169  10.678  10.678
  838   2HZ   LYS 107          1HZ       LYS 107  -4.655   9.557   9.557
  839   3HZ   LYS 107          2HZ       LYS 107  -5.738  10.228  10.228

  Start of MODEL    7
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.520   0.654   0.654
    3   1HB   MET   1          2HB       MET   1   3.808   0.252   0.252
    4   2HB   MET   1          3HB       MET   1   4.183   0.063   0.063
    5   1HG   MET   1          2HG       MET   1   3.317   2.325   2.325
    6   2HG   MET   1          3HG       MET   1   2.777   2.515   2.515
    7   1HE   MET   1          1HE       MET   1   3.852   4.598   4.598
    8   2HE   MET   1          2HE       MET   1   5.155   4.925   4.925
    9   3HE   MET   1          3HE       MET   1   5.529   4.778   4.778
   10    H    GLU   2           HN       GLU   2   2.808  -2.174  -2.174
   11    HA   GLU   2           HA       GLU   2   2.632  -3.706  -3.706
   12   1HB   GLU   2          2HB       GLU   2   4.602  -3.568  -3.568
   13   2HB   GLU   2          3HB       GLU   2   3.880  -5.161  -5.161
   14   1HG   GLU   2          2HG       GLU   2   4.647  -4.095  -4.095
   15   2HG   GLU   2          3HG       GLU   2   5.910  -4.695  -4.695
   16    H    THR   3           HN       THR   3   2.178  -6.229  -6.229
   17    HA   THR   3           HA       THR   3  -0.243  -6.169  -6.169
   18    HB   THR   3           HB       THR   3  -0.969  -8.055  -8.055
   19    HG1  THR   3           HG1      THR   3   0.433  -8.161  -8.161
   20   1HG2  THR   3          3HG2      THR   3  -1.040  -5.293  -5.293
   21   2HG2  THR   3          1HG2      THR   3  -0.295  -5.954  -5.954
   22   3HG2  THR   3          2HG2      THR   3  -1.895  -6.531  -6.531
   23    H    GLU   4           HN       GLU   4  -0.785  -8.714  -8.714
   24    HA   GLU   4           HA       GLU   4   1.659  -9.614  -9.614
   25   1HB   GLU   4          2HB       GLU   4  -1.197  -9.452  -9.452
   26   2HB   GLU   4          3HB       GLU   4  -0.297 -10.856 -10.856
   27   1HG   GLU   4          2HG       GLU   4   0.462  -9.507  -9.507
   28   2HG   GLU   4          3HG       GLU   4   1.539  -8.837  -8.837
   29    H    GLU   5           HN       GLU   5   2.534 -11.384 -11.384
   30    HA   GLU   5           HA       GLU   5   0.630 -13.287 -13.287
   31   1HB   GLU   5          2HB       GLU   5   3.041 -12.021 -12.021
   32   2HB   GLU   5          3HB       GLU   5   3.043 -13.766 -13.766
   33   1HG   GLU   5          2HG       GLU   5   1.040 -13.786 -13.786
   34   2HG   GLU   5          3HG       GLU   5   0.530 -12.216 -12.216
   35    H    TRP   6           HN       TRP   6   1.099 -13.615 -13.615
   36    HA   TRP   6           HA       TRP   6   3.436 -15.261 -15.261
   37   1HB   TRP   6          2HB       TRP   6   2.329 -15.500 -15.500
   38   2HB   TRP   6          3HB       TRP   6   3.039 -13.966 -13.966
   39    HD1  TRP   6           HD1      TRP   6   1.447 -11.879 -11.879
   40    HE1  TRP   6           HE1      TRP   6  -1.109 -11.404 -11.404
   41    HE3  TRP   6           HE3      TRP   6  -0.043 -16.733 -16.733
   42    HZ2  TRP   6           HZ2      TRP   6  -3.415 -13.074 -13.074
   43    HZ3  TRP   6           HZ3      TRP   6  -2.464 -17.225 -17.225
   44    HH2  TRP   6           HH2      TRP   6  -4.127 -15.490 -15.490
   45    H    PHE   7           HN       PHE   7   0.241 -15.570 -15.570
   46    HA   PHE   7           HA       PHE   7   0.066 -18.365 -18.365
   47   1HB   PHE   7          2HB       PHE   7  -1.978 -17.102 -17.102
   48   2HB   PHE   7          3HB       PHE   7  -1.775 -16.220 -16.220
   49    HD1  PHE   7           HD1      PHE   7  -2.878 -19.378 -19.378
   50    HD2  PHE   7           HD2      PHE   7  -2.484 -17.170 -17.170
   51    HE1  PHE   7           HE1      PHE   7  -4.409 -20.995 -20.995
   52    HE2  PHE   7           HE2      PHE   7  -4.015 -18.787 -18.787
   53   1HZ   PHE   7           HZ       PHE   7  -4.959 -20.680 -20.680
   54    H    PHE   8           HN       PHE   8   0.254 -20.059 -20.059
   55    HA   PHE   8           HA       PHE   8   0.859 -19.269 -19.269
   56   1HB   PHE   8          2HB       PHE   8   1.685 -21.553 -21.553
   57   2HB   PHE   8          3HB       PHE   8   1.945 -21.685 -21.685
   58    HD1  PHE   8           HD1      PHE   8   3.205 -19.597 -19.597
   59    HD2  PHE   8           HD2      PHE   8   3.402 -20.716 -20.716
   60    HE1  PHE   8           HE1      PHE   8   5.380 -18.365 -18.365
   61    HE2  PHE   8           HE2      PHE   8   5.577 -19.484 -19.484
   62   1HZ   PHE   8           HZ       PHE   8   6.540 -18.324 -18.324
   63    H    LYS   9           HN       LYS   9   0.172 -20.781 -20.781
   64    HA   LYS   9           HA       LYS   9  -2.225 -22.278 -22.278
   65   1HB   LYS   9          2HB       LYS   9  -3.322 -21.592 -21.592
   66   2HB   LYS   9          3HB       LYS   9  -2.730 -20.153 -20.153
   67   1HG   LYS   9          2HG       LYS   9  -0.737 -21.294 -21.294
   68   2HG   LYS   9          3HG       LYS   9  -2.235 -20.878 -20.878
   69   1HD   LYS   9          2HD       LYS   9  -1.689 -18.681 -18.681
   70   2HD   LYS   9          3HD       LYS   9  -1.622 -18.730 -18.730
   71   1HE   LYS   9          2HE       LYS   9   0.692 -19.024 -19.024
   72   2HE   LYS   9          3HE       LYS   9   0.730 -19.892 -19.892
   73   1HZ   LYS   9          2HZ       LYS   9  -0.166 -17.393 -17.393
   74   2HZ   LYS   9          3HZ       LYS   9   1.037 -17.137 -17.137
   75   3HZ   LYS   9          1HZ       LYS   9   1.327 -17.990 -17.990
   76    H    GLY  10           HN       GLY  10  -2.584 -24.298 -24.298
   77   1HA   GLY  10          1HA       GLY  10  -1.749 -26.320 -26.320
   78   2HA   GLY  10          2HA       GLY  10  -1.444 -25.456 -25.456
   79    H    ILE  11           HN       ILE  11   0.059 -25.635 -25.635
   80    HA   ILE  11           HA       ILE  11   2.658 -25.762 -25.762
   81    HB   ILE  11           HB       ILE  11   1.779 -23.978 -23.978
   82   1HG1  ILE  11          2HG1      ILE  11   4.637 -24.879 -24.879
   83   2HG1  ILE  11          3HG1      ILE  11   3.733 -23.791 -23.791
   84   1HG2  ILE  11          1HG2      ILE  11   1.833 -25.987 -25.987
   85   2HG2  ILE  11          2HG2      ILE  11   3.600 -25.783 -25.783
   86   3HG2  ILE  11          3HG2      ILE  11   2.567 -24.446 -24.446
   87   1HD1  ILE  11          3HD1      ILE  11   3.497 -22.822 -22.822
   88   2HD1  ILE  11          1HD1      ILE  11   5.215 -23.150 -23.150
   89   3HD1  ILE  11          2HD1      ILE  11   4.299 -22.045 -22.045
   90    H    SER  12           HN       SER  12   4.300 -27.209 -27.209
   91    HA   SER  12           HA       SER  12   2.954 -29.574 -29.574
   92   1HB   SER  12          2HB       SER  12   4.715 -30.876 -30.876
   93   2HB   SER  12          3HB       SER  12   4.300 -29.678 -29.678
   94    HG   SER  12           HG       SER  12   6.591 -29.812 -29.812
   95    H    ARG  13           HN       ARG  13   4.360 -30.943 -30.943
   96    HA   ARG  13           HA       ARG  13   5.086 -29.245 -29.245
   97   1HB   ARG  13          2HB       ARG  13   4.044 -31.600 -31.600
   98   2HB   ARG  13          3HB       ARG  13   5.628 -32.244 -32.244
   99   1HG   ARG  13          2HG       ARG  13   5.574 -30.228 -30.228
  100   2HG   ARG  13          3HG       ARG  13   4.754 -31.736 -31.736
  101   1HD   ARG  13          2HD       ARG  13   7.617 -31.554 -31.554
  102   2HD   ARG  13          3HD       ARG  13   7.207 -31.736 -31.736
  103    HE   ARG  13           HE       ARG  13   5.841 -33.788 -33.788
  104   1HH1  ARG  13          2HH2      ARG  13   9.145 -32.847 -32.847
  105   2HH1  ARG  13          1HH2      ARG  13   9.755 -34.468 -34.468
  106   1HH2  ARG  13          2HH1      ARG  13   6.645 -35.925 -35.925
  107   2HH2  ARG  13          1HH1      ARG  13   8.323 -36.230 -36.230
  108    H    LYS  14           HN       LYS  14   6.785 -30.937 -30.937
  109    HA   LYS  14           HA       LYS  14   9.356 -30.721 -30.721
  110   1HB   LYS  14          2HB       LYS  14   8.341 -31.742 -31.742
  111   2HB   LYS  14          3HB       LYS  14  10.054 -31.463 -31.463
  112   1HG   LYS  14          2HG       LYS  14   9.705 -32.848 -32.848
  113   2HG   LYS  14          3HG       LYS  14   8.237 -33.407 -33.407
  114   1HD   LYS  14          2HD       LYS  14  10.045 -33.733 -33.733
  115   2HD   LYS  14          3HD       LYS  14  11.085 -34.004 -34.004
  116   1HE   LYS  14          2HE       LYS  14   8.721 -35.440 -35.440
  117   2HE   LYS  14          3HE       LYS  14   8.979 -35.728 -35.728
  118   1HZ   LYS  14          2HZ       LYS  14  11.279 -36.321 -36.321
  119   2HZ   LYS  14          3HZ       LYS  14  10.923 -36.184 -36.184
  120   3HZ   LYS  14          1HZ       LYS  14  10.181 -37.321 -37.321
  121    H    ASP  15           HN       ASP  15   7.295 -28.863 -28.863
  122    HA   ASP  15           HA       ASP  15   9.402 -27.242 -27.242
  123   1HB   ASP  15          2HB       ASP  15   6.381 -27.159 -27.159
  124   2HB   ASP  15          3HB       ASP  15   7.259 -25.704 -25.704
  125    H    ALA  16           HN       ALA  16   6.804 -27.016 -27.016
  126    HA   ALA  16           HA       ALA  16   7.337 -24.376 -24.376
  127   1HB   ALA  16          3HB       ALA  16   6.070 -26.748 -26.748
  128   2HB   ALA  16          1HB       ALA  16   6.073 -25.089 -25.089
  129   3HB   ALA  16          2HB       ALA  16   5.240 -25.445 -25.445
  130    H    GLU  17           HN       GLU  17   8.843 -27.507 -27.507
  131    HA   GLU  17           HA       GLU  17  10.273 -26.405 -26.405
  132   1HB   GLU  17          2HB       GLU  17  10.060 -29.090 -29.090
  133   2HB   GLU  17          3HB       GLU  17  11.504 -28.771 -28.771
  134   1HG   GLU  17          2HG       GLU  17   9.579 -27.837 -27.837
  135   2HG   GLU  17          3HG       GLU  17   8.678 -29.099 -29.099
  136    H    ARG  18           HN       ARG  18  10.592 -26.514 -26.514
  137    HA   ARG  18           HA       ARG  18  13.444 -26.455 -26.455
  138   1HB   ARG  18          2HB       ARG  18  12.022 -27.457 -27.457
  139   2HB   ARG  18          3HB       ARG  18  11.556 -25.826 -25.826
  140   1HG   ARG  18          2HG       ARG  18  13.388 -26.165 -26.165
  141   2HG   ARG  18          3HG       ARG  18  14.159 -25.363 -25.363
  142   1HD   ARG  18          2HD       ARG  18  15.276 -27.277 -27.277
  143   2HD   ARG  18          3HD       ARG  18  13.964 -28.343 -28.343
  144    HE   ARG  18           HE       ARG  18  15.350 -27.065 -27.065
  145   1HH1  ARG  18          2HH2      ARG  18  15.193 -29.863 -29.863
  146   2HH1  ARG  18          1HH2      ARG  18  16.039 -30.904 -30.904
  147   1HH2  ARG  18          2HH1      ARG  18  16.465 -28.438 -28.438
  148   2HH2  ARG  18          1HH1      ARG  18  16.767 -30.088 -30.088
  149    H    GLN  19           HN       GLN  19  10.739 -24.214 -24.214
  150    HA   GLN  19           HA       GLN  19  12.323 -21.998 -21.998
  151   1HB   GLN  19          2HB       GLN  19   9.491 -22.160 -22.160
  152   2HB   GLN  19          3HB       GLN  19  10.232 -20.682 -20.682
  153   1HG   GLN  19          2HG       GLN  19  10.673 -21.992 -21.992
  154   2HG   GLN  19          3HG       GLN  19   9.545 -23.180 -23.180
  155   1HE2  GLN  19          2HE2      GLN  19   6.629 -21.307 -21.307
  156   2HE2  GLN  19          1HE2      GLN  19   7.386 -22.688 -22.688
  157    H    LEU  20           HN       LEU  20  11.215 -23.510 -23.510
  158    HA   LEU  20           HA       LEU  20  11.953 -21.272 -21.272
  159   1HB   LEU  20          2HB       LEU  20  10.978 -24.062 -24.062
  160   2HB   LEU  20          3HB       LEU  20  11.695 -23.167 -23.167
  161    HG   LEU  20           HG       LEU  20   9.456 -21.970 -21.970
  162   1HD1  LEU  20          3HD1      LEU  20   9.141 -24.398 -24.398
  163   2HD1  LEU  20          1HD1      LEU  20   8.644 -23.262 -23.262
  164   3HD1  LEU  20          2HD1      LEU  20   7.844 -23.219 -23.219
  165   1HD2  LEU  20          1HD2      LEU  20  11.042 -20.925 -20.925
  166   2HD2  LEU  20          2HD2      LEU  20   9.410 -20.351 -20.351
  167   3HD2  LEU  20          3HD2      LEU  20   9.632 -21.492 -21.492
  168    H    LEU  21           HN       LEU  21  13.382 -24.456 -24.456
  169    HA   LEU  21           HA       LEU  21  15.671 -24.066 -24.066
  170   1HB   LEU  21          2HB       LEU  21  14.993 -25.994 -25.994
  171   2HB   LEU  21          3HB       LEU  21  16.532 -26.011 -26.011
  172    HG   LEU  21           HG       LEU  21  13.834 -26.374 -26.374
  173   1HD1  LEU  21          1HD1      LEU  21  15.654 -28.270 -28.270
  174   2HD1  LEU  21          2HD1      LEU  21  15.110 -28.758 -28.758
  175   3HD1  LEU  21          3HD1      LEU  21  13.914 -28.392 -28.392
  176   1HD2  LEU  21          2HD2      LEU  21  16.513 -25.902 -25.902
  177   2HD2  LEU  21          3HD2      LEU  21  14.940 -25.887 -25.887
  178   3HD2  LEU  21          1HD2      LEU  21  15.812 -27.422 -27.422
  179    H    ALA  22           HN       ALA  22  14.589 -22.710 -22.710
  180    HA   ALA  22           HA       ALA  22  17.092 -22.462 -22.462
  181   1HB   ALA  22          2HB       ALA  22  14.306 -21.497 -21.497
  182   2HB   ALA  22          3HB       ALA  22  15.553 -20.406 -20.406
  183   3HB   ALA  22          1HB       ALA  22  15.455 -22.089 -22.089
  184    HA   PRO  23           HA       PRO  23  18.750 -19.018 -19.018
  185   1HB   PRO  23          2HB       PRO  23  19.951 -17.589 -17.589
  186   2HB   PRO  23          3HB       PRO  23  20.655 -19.032 -19.032
  187   1HG   PRO  23          2HG       PRO  23  19.333 -18.705 -18.705
  188   2HG   PRO  23          3HG       PRO  23  20.398 -19.987 -19.987
  189   1HD   PRO  23          2HD       PRO  23  17.544 -20.118 -20.118
  190   2HD   PRO  23          3HD       PRO  23  18.597 -21.359 -21.359
  191    H    GLY  24           HN       GLY  24  16.780 -18.184 -18.184
  192   1HA   GLY  24          1HA       GLY  24  16.400 -15.539 -15.539
  193   2HA   GLY  24          2HA       GLY  24  15.100 -16.665 -16.665
  194    H    ASN  25           HN       ASN  25  15.124 -18.065 -18.065
  195    HA   ASN  25           HA       ASN  25  13.980 -15.912 -15.912
  196   1HB   ASN  25          2HB       ASN  25  13.525 -18.941 -18.941
  197   2HB   ASN  25          3HB       ASN  25  12.772 -17.817 -17.817
  198   1HD2  ASN  25          2HD2      ASN  25  11.466 -18.288 -18.288
  199   2HD2  ASN  25          1HD2      ASN  25  12.897 -19.041 -19.041
  200    H    MET  26           HN       MET  26  14.101 -16.518 -16.518
  201    HA   MET  26           HA       MET  26  16.485 -17.989 -17.989
  202   1HB   MET  26          2HB       MET  26  17.504 -16.085 -16.085
  203   2HB   MET  26          3HB       MET  26  17.266 -15.634 -15.634
  204   1HG   MET  26          2HG       MET  26  14.879 -14.788 -14.788
  205   2HG   MET  26          3HG       MET  26  15.813 -14.668 -14.668
  206   1HE   MET  26          1HE       MET  26  14.370 -12.673 -12.673
  207   2HE   MET  26          2HE       MET  26  15.527 -11.579 -11.579
  208   3HE   MET  26          3HE       MET  26  15.322 -13.243 -13.243
  209    H    LEU  27           HN       LEU  27  16.699 -18.349 -18.349
  210    HA   LEU  27           HA       LEU  27  14.469 -19.262 -19.262
  211   1HB   LEU  27          2HB       LEU  27  17.151 -18.597 -18.597
  212   2HB   LEU  27          3HB       LEU  27  16.032 -18.229 -18.229
  213    HG   LEU  27           HG       LEU  27  16.310 -20.908 -20.908
  214   1HD1  LEU  27          3HD1      LEU  27  17.723 -19.696 -19.696
  215   2HD1  LEU  27          1HD1      LEU  27  16.887 -21.190 -21.190
  216   3HD1  LEU  27          2HD1      LEU  27  18.041 -21.217 -21.217
  217   1HD2  LEU  27          1HD2      LEU  27  14.244 -19.810 -19.810
  218   2HD2  LEU  27          2HD2      LEU  27  14.202 -21.215 -21.215
  219   3HD2  LEU  27          3HD2      LEU  27  14.916 -21.371 -21.371
  220    H    GLY  28           HN       GLY  28  12.527 -18.320 -18.320
  221   1HA   GLY  28          1HA       GLY  28  11.532 -16.722 -16.722
  222   2HA   GLY  28          2HA       GLY  28  12.517 -15.497 -15.497
  223    H    SER  29           HN       SER  29  12.035 -17.225 -17.225
  224    HA   SER  29           HA       SER  29   9.778 -15.648 -15.648
  225   1HB   SER  29          2HB       SER  29  11.296 -17.698 -17.698
  226   2HB   SER  29          3HB       SER  29  10.276 -16.404 -16.404
  227    HG   SER  29           HG       SER  29  12.071 -15.246 -15.246
  228    H    PHE  30           HN       PHE  30   7.677 -16.389 -16.389
  229    HA   PHE  30           HA       PHE  30   7.280 -19.275 -19.275
  230   1HB   PHE  30          2HB       PHE  30   5.314 -18.684 -18.684
  231   2HB   PHE  30          3HB       PHE  30   6.532 -17.545 -17.545
  232    HD1  PHE  30           HD2      PHE  30   6.433 -15.193 -15.193
  233    HD2  PHE  30           HD1      PHE  30   3.410 -17.950 -17.950
  234    HE1  PHE  30           HE2      PHE  30   4.921 -13.285 -13.285
  235    HE2  PHE  30           HE1      PHE  30   1.898 -16.042 -16.042
  236   1HZ   PHE  30           HZ       PHE  30   2.672 -13.732 -13.732
  237    H    MET  31           HN       MET  31   5.128 -20.055 -20.055
  238    HA   MET  31           HA       MET  31   4.217 -18.438 -18.438
  239   1HB   MET  31          2HB       MET  31   4.666 -20.215 -20.215
  240   2HB   MET  31          3HB       MET  31   6.170 -19.734 -19.734
  241   1HG   MET  31          2HG       MET  31   6.454 -21.771 -21.771
  242   2HG   MET  31          3HG       MET  31   4.747 -21.950 -21.950
  243   1HE   MET  31          2HE       MET  31   6.807 -21.080 -21.080
  244   2HE   MET  31          3HE       MET  31   7.177 -22.657 -22.657
  245   3HE   MET  31          1HE       MET  31   5.817 -21.685 -21.685
  246    H    ILE  32           HN       ILE  32   2.211 -19.334 -19.334
  247    HA   ILE  32           HA       ILE  32   0.949 -21.375 -21.375
  248    HB   ILE  32           HB       ILE  32  -0.027 -18.620 -18.620
  249   1HG1  ILE  32          2HG1      ILE  32  -0.319 -20.201 -20.201
  250   2HG1  ILE  32          3HG1      ILE  32   1.137 -19.298 -19.298
  251   1HG2  ILE  32          2HG2      ILE  32  -1.667 -21.111 -21.111
  252   2HG2  ILE  32          3HG2      ILE  32  -2.279 -19.598 -19.598
  253   3HG2  ILE  32          1HG2      ILE  32  -1.903 -19.678 -19.678
  254   1HD1  ILE  32          2HD1      ILE  32  -1.654 -18.066 -18.066
  255   2HD1  ILE  32          3HD1      ILE  32  -0.561 -18.010 -18.010
  256   3HD1  ILE  32          1HD1      ILE  32  -0.101 -17.205 -17.205
  257    H    ARG  33           HN       ARG  33  -0.334 -22.859 -22.859
  258    HA   ARG  33           HA       ARG  33  -0.856 -22.304 -22.304
  259   1HB   ARG  33          2HB       ARG  33   0.121 -24.441 -24.441
  260   2HB   ARG  33          3HB       ARG  33   1.356 -23.472 -23.472
  261   1HG   ARG  33          2HG       ARG  33   0.251 -24.941 -24.941
  262   2HG   ARG  33          3HG       ARG  33   0.248 -26.087 -26.087
  263   1HD   ARG  33          2HD       ARG  33   2.739 -25.147 -25.147
  264   2HD   ARG  33          3HD       ARG  33   2.594 -24.713 -24.713
  265    HE   ARG  33           HE       ARG  33   2.723 -27.436 -27.436
  266   1HH1  ARG  33          2HH2      ARG  33   1.896 -25.461 -25.461
  267   2HH1  ARG  33          1HH2      ARG  33   2.038 -26.768 -26.768
  268   1HH2  ARG  33          2HH1      ARG  33   2.910 -29.161 -29.161
  269   2HH2  ARG  33          1HH1      ARG  33   2.619 -28.887 -28.887
  270    H    ASP  34           HN       ASP  34  -2.472 -23.883 -23.883
  271    HA   ASP  34           HA       ASP  34  -4.149 -24.857 -24.857
  272   1HB   ASP  34          2HB       ASP  34  -5.336 -23.399 -23.399
  273   2HB   ASP  34          3HB       ASP  34  -4.626 -24.137 -24.137
  274    H    SER  35           HN       SER  35  -4.955 -27.080 -27.080
  275    HA   SER  35           HA       SER  35  -3.131 -28.898 -28.898
  276   1HB   SER  35          2HB       SER  35  -4.492 -29.270 -29.270
  277   2HB   SER  35          3HB       SER  35  -5.937 -29.395 -29.395
  278    HG   SER  35           HG       SER  35  -3.625 -31.138 -31.138
  279    H    GLU  36           HN       GLU  36  -3.316 -30.323 -30.323
  280    HA   GLU  36           HA       GLU  36  -5.253 -29.411 -29.411
  281   1HB   GLU  36          2HB       GLU  36  -3.799 -30.960 -30.960
  282   2HB   GLU  36          3HB       GLU  36  -3.119 -29.440 -29.440
  283   1HG   GLU  36          2HG       GLU  36  -2.700 -31.851 -31.851
  284   2HG   GLU  36          3HG       GLU  36  -1.799 -31.786 -31.786
  285    H    THR  37           HN       THR  37  -4.499 -32.114 -32.114
  286    HA   THR  37           HA       THR  37  -6.209 -33.947 -33.947
  287    HB   THR  37           HB       THR  37  -5.532 -35.383 -35.383
  288    HG1  THR  37           HG1      THR  37  -3.891 -34.346 -34.346
  289   1HG2  THR  37          1HG2      THR  37  -4.289 -35.272 -35.272
  290   2HG2  THR  37          2HG2      THR  37  -3.111 -34.259 -34.259
  291   3HG2  THR  37          3HG2      THR  37  -3.410 -35.932 -35.932
  292    H    THR  38           HN       THR  38  -6.164 -32.427 -32.427
  293    HA   THR  38           HA       THR  38  -9.049 -32.967 -32.967
  294    HB   THR  38           HB       THR  38  -6.991 -32.304 -32.304
  295    HG1  THR  38           HG1      THR  38  -8.496 -34.716 -34.716
  296   1HG2  THR  38          1HG2      THR  38  -9.958 -33.000 -33.000
  297   2HG2  THR  38          2HG2      THR  38  -8.905 -33.418 -33.418
  298   3HG2  THR  38          3HG2      THR  38  -9.118 -31.715 -31.715
  299    H    LYS  39           HN       LYS  39  -9.639 -31.254 -31.254
  300    HA   LYS  39           HA       LYS  39  -8.833 -28.615 -28.615
  301   1HB   LYS  39          2HB       LYS  39 -11.034 -30.017 -30.017
  302   2HB   LYS  39          3HB       LYS  39 -11.212 -28.294 -28.294
  303   1HG   LYS  39          2HG       LYS  39  -8.493 -28.749 -28.749
  304   2HG   LYS  39          3HG       LYS  39  -9.523 -29.660 -29.660
  305   1HD   LYS  39          2HD       LYS  39 -10.064 -26.740 -26.740
  306   2HD   LYS  39          3HD       LYS  39  -9.043 -27.210 -27.210
  307   1HE   LYS  39          2HE       LYS  39 -11.072 -27.076 -27.076
  308   2HE   LYS  39          3HE       LYS  39 -11.145 -28.757 -28.757
  309   1HZ   LYS  39          2HZ       LYS  39 -12.171 -26.719 -26.719
  310   2HZ   LYS  39          3HZ       LYS  39 -13.080 -27.177 -27.177
  311   3HZ   LYS  39          1HZ       LYS  39 -12.627 -28.279 -28.279
  312    H    GLY  40           HN       GLY  40  -9.654 -26.889 -26.889
  313   1HA   GLY  40          1HA       GLY  40 -11.396 -25.927 -25.927
  314   2HA   GLY  40          2HA       GLY  40 -11.855 -27.526 -27.526
  315    H    SER  41           HN       SER  41  -8.703 -28.046 -28.046
  316    HA   SER  41           HA       SER  41  -8.425 -26.819 -26.819
  317   1HB   SER  41          2HB       SER  41  -7.502 -29.496 -29.496
  318   2HB   SER  41          3HB       SER  41  -6.748 -28.800 -28.800
  319    HG   SER  41           HG       SER  41  -8.876 -30.290 -30.290
  320    H    TYR  42           HN       TYR  42  -6.383 -25.858 -25.858
  321    HA   TYR  42           HA       TYR  42  -4.623 -25.465 -25.465
  322   1HB   TYR  42          2HB       TYR  42  -5.615 -23.798 -23.798
  323   2HB   TYR  42          3HB       TYR  42  -4.080 -23.377 -23.377
  324    HD1  TYR  42           HD2      TYR  42  -7.671 -23.966 -23.966
  325    HD2  TYR  42           HD1      TYR  42  -4.027 -21.940 -21.940
  326    HE1  TYR  42           HE2      TYR  42  -8.884 -22.613 -22.613
  327    HE2  TYR  42           HE1      TYR  42  -5.252 -20.594 -20.594
  328    HH   TYR  42           HH       TYR  42  -7.919 -19.900 -19.900
  329    H    SER  43           HN       SER  43  -2.293 -24.989 -24.989
  330    HA   SER  43           HA       SER  43  -1.555 -26.232 -26.232
  331   1HB   SER  43          2HB       SER  43  -0.149 -26.981 -26.981
  332   2HB   SER  43          3HB       SER  43   0.038 -27.727 -27.727
  333    HG   SER  43           HG       SER  43  -1.775 -28.303 -28.303
  334    H    LEU  44           HN       LEU  44  -0.119 -24.895 -24.895
  335    HA   LEU  44           HA       LEU  44   1.159 -22.824 -22.824
  336   1HB   LEU  44          2HB       LEU  44   0.064 -21.907 -21.907
  337   2HB   LEU  44          3HB       LEU  44   0.515 -23.212 -23.212
  338    HG   LEU  44           HG       LEU  44   2.897 -22.373 -22.373
  339   1HD1  LEU  44          1HD1      LEU  44   1.827 -20.732 -20.732
  340   2HD1  LEU  44          2HD1      LEU  44   2.293 -19.660 -19.660
  341   3HD1  LEU  44          3HD1      LEU  44   3.490 -20.770 -20.770
  342   1HD2  LEU  44          1HD2      LEU  44   0.597 -21.031 -21.031
  343   2HD2  LEU  44          2HD2      LEU  44   2.041 -21.797 -21.797
  344   3HD2  LEU  44          3HD2      LEU  44   2.146 -20.156 -20.156
  345    H    SER  45           HN       SER  45   3.440 -22.447 -22.447
  346    HA   SER  45           HA       SER  45   4.997 -24.589 -24.589
  347   1HB   SER  45          2HB       SER  45   5.629 -23.662 -23.662
  348   2HB   SER  45          3HB       SER  45   6.156 -25.122 -25.122
  349    HG   SER  45           HG       SER  45   4.280 -25.146 -25.146
  350    H    VAL  46           HN       VAL  46   6.833 -23.792 -23.792
  351    HA   VAL  46           HA       VAL  46   7.758 -21.143 -21.143
  352    HB   VAL  46           HB       VAL  46   7.353 -22.050 -22.050
  353   1HG1  VAL  46          2HG1      VAL  46   8.359 -19.454 -19.454
  354   2HG1  VAL  46          3HG1      VAL  46   7.841 -19.624 -19.624
  355   3HG1  VAL  46          1HG1      VAL  46   9.226 -20.564 -20.564
  356   1HG2  VAL  46          1HG2      VAL  46   5.495 -20.908 -20.908
  357   2HG2  VAL  46          2HG2      VAL  46   5.237 -21.371 -21.371
  358   3HG2  VAL  46          3HG2      VAL  46   5.819 -19.737 -19.737
  359    H    ARG  47           HN       ARG  47  10.037 -20.712 -20.712
  360    HA   ARG  47           HA       ARG  47  11.511 -23.137 -23.137
  361   1HB   ARG  47          2HB       ARG  47  12.080 -21.003 -21.003
  362   2HB   ARG  47          3HB       ARG  47  12.491 -20.252 -20.252
  363   1HG   ARG  47          2HG       ARG  47  14.607 -20.999 -20.999
  364   2HG   ARG  47          3HG       ARG  47  14.016 -22.535 -22.535
  365   1HD   ARG  47          2HD       ARG  47  13.907 -23.485 -23.485
  366   2HD   ARG  47          3HD       ARG  47  13.435 -21.984 -21.984
  367    HE   ARG  47           HE       ARG  47  16.192 -22.897 -22.897
  368   1HH1  ARG  47          2HH2      ARG  47  14.110 -20.219 -20.219
  369   2HH1  ARG  47          1HH2      ARG  47  15.388 -19.317 -19.317
  370   1HH2  ARG  47          2HH1      ARG  47  17.879 -21.708 -21.708
  371   2HH2  ARG  47          1HH1      ARG  47  17.547 -20.170 -20.170
  372    H    ASP  48           HN       ASP  48  13.054 -23.996 -23.996
  373    HA   ASP  48           HA       ASP  48  13.307 -22.615 -22.615
  374   1HB   ASP  48          2HB       ASP  48  11.341 -24.054 -24.054
  375   2HB   ASP  48          3HB       ASP  48  12.193 -25.443 -25.443
  376    H    TYR  49           HN       TYR  49  15.049 -23.782 -23.782
  377    HA   TYR  49           HA       TYR  49  16.745 -25.554 -25.554
  378   1HB   TYR  49          2HB       TYR  49  17.353 -23.017 -23.017
  379   2HB   TYR  49          3HB       TYR  49  17.634 -23.068 -23.068
  380    HD1  TYR  49           HD2      TYR  49  19.454 -24.640 -24.640
  381    HD2  TYR  49           HD1      TYR  49  19.040 -23.666 -23.666
  382    HE1  TYR  49           HE2      TYR  49  21.850 -25.378 -25.378
  383    HE2  TYR  49           HE1      TYR  49  21.438 -24.408 -24.408
  384    HH   TYR  49           HH       TYR  49  23.173 -25.426 -25.426
  385    H    ASP  50           HN       ASP  50  18.271 -26.801 -26.801
  386    HA   ASP  50           HA       ASP  50  17.678 -26.689 -26.689
  387   1HB   ASP  50          2HB       ASP  50  17.302 -28.943 -28.943
  388   2HB   ASP  50          3HB       ASP  50  18.160 -29.382 -29.382
  389    HA   PRO  51           HA       PRO  51  22.051 -27.055 -27.055
  390   1HB   PRO  51          2HB       PRO  51  22.424 -27.718 -27.718
  391   2HB   PRO  51          3HB       PRO  51  22.145 -26.076 -26.076
  392   1HG   PRO  51          2HG       PRO  51  20.280 -27.917 -27.917
  393   2HG   PRO  51          3HG       PRO  51  20.179 -26.175 -26.175
  394   1HD   PRO  51          2HD       PRO  51  18.679 -28.129 -28.129
  395   2HD   PRO  51          3HD       PRO  51  18.664 -26.394 -26.394
  396    H    ARG  52           HN       ARG  52  20.020 -29.614 -29.614
  397    HA   ARG  52           HA       ARG  52  22.197 -31.476 -31.476
  398   1HB   ARG  52          2HB       ARG  52  19.173 -31.713 -31.713
  399   2HB   ARG  52          3HB       ARG  52  20.146 -33.145 -33.145
  400   1HG   ARG  52          2HG       ARG  52  20.646 -33.330 -33.330
  401   2HG   ARG  52          3HG       ARG  52  21.172 -31.661 -31.661
  402   1HD   ARG  52          2HD       ARG  52  19.158 -30.931 -30.931
  403   2HD   ARG  52          3HD       ARG  52  18.224 -31.960 -31.960
  404    HE   ARG  52           HE       ARG  52  19.381 -33.760 -33.760
  405   1HH1  ARG  52          2HH2      ARG  52  17.420 -30.864 -30.864
  406   2HH1  ARG  52          1HH2      ARG  52  16.698 -31.396 -31.396
  407   1HH2  ARG  52          2HH1      ARG  52  18.430 -34.462 -34.462
  408   2HH2  ARG  52          1HH1      ARG  52  17.277 -33.457 -33.457
  409    H    GLN  53           HN       GLN  53  19.399 -30.992 -30.992
  410    HA   GLN  53           HA       GLN  53  20.825 -32.472 -32.472
  411   1HB   GLN  53          2HB       GLN  53  18.093 -31.118 -31.118
  412   2HB   GLN  53          3HB       GLN  53  18.728 -32.013 -32.013
  413   1HG   GLN  53          2HG       GLN  53  19.127 -33.791 -33.791
  414   2HG   GLN  53          3HG       GLN  53  17.619 -33.017 -33.017
  415   1HE2  GLN  53          2HE2      GLN  53  16.458 -35.811 -35.811
  416   2HE2  GLN  53          1HE2      GLN  53  17.047 -35.373 -35.373
  417    H    GLY  54           HN       GLY  54  19.308 -29.166 -29.166
  418   1HA   GLY  54          1HA       GLY  54  21.034 -27.393 -27.393
  419   2HA   GLY  54          2HA       GLY  54  21.216 -28.270 -28.270
  420    H    ASP  55           HN       ASP  55  20.136 -27.322 -27.322
  421    HA   ASP  55           HA       ASP  55  18.056 -25.499 -25.499
  422   1HB   ASP  55          2HB       ASP  55  18.992 -26.753 -26.753
  423   2HB   ASP  55          3HB       ASP  55  17.900 -25.388 -25.388
  424    H    THR  56           HN       THR  56  15.798 -25.857 -25.857
  425    HA   THR  56           HA       THR  56  14.821 -28.239 -28.239
  426    HB   THR  56           HB       THR  56  13.910 -29.266 -29.266
  427    HG1  THR  56           HG1      THR  56  13.115 -27.704 -27.704
  428   1HG2  THR  56          1HG2      THR  56  16.528 -27.980 -27.980
  429   2HG2  THR  56          2HG2      THR  56  15.746 -29.403 -29.403
  430   3HG2  THR  56          3HG2      THR  56  16.415 -29.501 -29.501
  431    H    VAL  57           HN       VAL  57  12.365 -28.282 -28.282
  432    HA   VAL  57           HA       VAL  57  11.351 -25.533 -25.533
  433    HB   VAL  57           HB       VAL  57  10.771 -27.526 -27.526
  434   1HG1  VAL  57          3HG1      VAL  57   9.113 -25.580 -25.580
  435   2HG1  VAL  57          1HG1      VAL  57  10.139 -24.627 -24.627
  436   3HG1  VAL  57          2HG1      VAL  57   9.268 -26.054 -26.054
  437   1HG2  VAL  57          1HG2      VAL  57  13.116 -26.174 -26.174
  438   2HG2  VAL  57          2HG2      VAL  57  12.388 -26.625 -26.625
  439   3HG2  VAL  57          3HG2      VAL  57  12.150 -24.986 -24.986
  440    H    LYS  58           HN       LYS  58   9.591 -25.377 -25.377
  441    HA   LYS  58           HA       LYS  58   8.372 -27.864 -27.864
  442   1HB   LYS  58          2HB       LYS  58   8.497 -25.054 -25.054
  443   2HB   LYS  58          3HB       LYS  58   7.170 -26.084 -26.084
  444   1HG   LYS  58          2HG       LYS  58  10.025 -27.108 -27.108
  445   2HG   LYS  58          3HG       LYS  58   9.399 -26.084 -26.084
  446   1HD   LYS  58          2HD       LYS  58   8.815 -28.172 -28.172
  447   2HD   LYS  58          3HD       LYS  58   7.351 -27.794 -27.794
  448   1HE   LYS  58          2HE       LYS  58   7.741 -29.400 -29.400
  449   2HE   LYS  58          3HE       LYS  58   9.471 -29.118 -29.118
  450   1HZ   LYS  58          1HZ       LYS  58   8.187 -30.401 -30.401
  451   2HZ   LYS  58          2HZ       LYS  58   8.638 -31.268 -31.268
  452   3HZ   LYS  58          3HZ       LYS  58   9.758 -30.452 -30.452
  453    H    HIS  59           HN       HIS  59   6.040 -28.176 -28.176
  454    HA   HIS  59           HA       HIS  59   4.586 -26.397 -26.397
  455   1HB   HIS  59          2HB       HIS  59   4.553 -29.373 -29.373
  456   2HB   HIS  59          3HB       HIS  59   3.874 -28.094 -28.094
  457    HD1  HIS  59           HD1      HIS  59   5.290 -27.312 -27.312
  458    HD2  HIS  59           HD2      HIS  59   7.549 -29.233 -29.233
  459    HE1  HIS  59           HE1      HIS  59   7.668 -27.481 -27.481
  460    H    TYR  60           HN       TYR  60   2.761 -25.853 -25.853
  461    HA   TYR  60           HA       TYR  60   1.695 -27.837 -27.837
  462   1HB   TYR  60          2HB       TYR  60   1.148 -24.822 -24.822
  463   2HB   TYR  60          3HB       TYR  60   0.929 -25.847 -25.847
  464    HD1  TYR  60           HD2      TYR  60   3.521 -24.311 -24.311
  465    HD2  TYR  60           HD1      TYR  60   2.674 -26.150 -26.150
  466    HE1  TYR  60           HE2      TYR  60   5.829 -23.659 -23.659
  467    HE2  TYR  60           HE1      TYR  60   4.985 -25.492 -25.492
  468    HH   TYR  60           HH       TYR  60   6.682 -23.965 -23.965
  469    H    LYS  61           HN       LYS  61  -0.359 -28.609 -28.609
  470    HA   LYS  61           HA       LYS  61  -1.701 -27.911 -27.911
  471   1HB   LYS  61          2HB       LYS  61  -3.239 -29.677 -29.677
  472   2HB   LYS  61          3HB       LYS  61  -1.591 -30.222 -30.222
  473   1HG   LYS  61          2HG       LYS  61  -2.017 -30.649 -30.649
  474   2HG   LYS  61          3HG       LYS  61  -2.472 -28.978 -28.978
  475   1HD   LYS  61          2HD       LYS  61  -4.716 -29.441 -29.441
  476   2HD   LYS  61          3HD       LYS  61  -4.549 -30.530 -30.530
  477   1HE   LYS  61          2HE       LYS  61  -3.609 -32.283 -32.283
  478   2HE   LYS  61          3HE       LYS  61  -3.916 -31.197 -31.197
  479   1HZ   LYS  61          3HZ       LYS  61  -6.102 -31.781 -31.781
  480   2HZ   LYS  61          1HZ       LYS  61  -5.673 -32.924 -32.924
  481   3HZ   LYS  61          2HZ       LYS  61  -6.146 -31.448 -31.448
  482    H    ILE  62           HN       ILE  62  -3.619 -26.754 -26.754
  483    HA   ILE  62           HA       ILE  62  -4.474 -25.284 -25.284
  484    HB   ILE  62           HB       ILE  62  -4.139 -24.451 -24.451
  485   1HG1  ILE  62          2HG1      ILE  62  -3.413 -22.857 -22.857
  486   2HG1  ILE  62          3HG1      ILE  62  -2.401 -24.204 -24.204
  487   1HG2  ILE  62          1HG2      ILE  62  -6.284 -23.646 -23.646
  488   2HG2  ILE  62          2HG2      ILE  62  -5.301 -22.277 -22.277
  489   3HG2  ILE  62          3HG2      ILE  62  -6.084 -23.363 -23.363
  490   1HD1  ILE  62          1HD1      ILE  62  -3.197 -22.400 -22.400
  491   2HD1  ILE  62          2HD1      ILE  62  -2.147 -21.661 -21.661
  492   3HD1  ILE  62          3HD1      ILE  62  -1.613 -23.123 -23.123
  493    H    ARG  63           HN       ARG  63  -6.267 -26.297 -26.297
  494    HA   ARG  63           HA       ARG  63  -8.071 -27.433 -27.433
  495   1HB   ARG  63          2HB       ARG  63  -7.717 -27.622 -27.622
  496   2HB   ARG  63          3HB       ARG  63  -9.276 -28.043 -28.043
  497   1HG   ARG  63          2HG       ARG  63  -6.695 -29.224 -29.224
  498   2HG   ARG  63          3HG       ARG  63  -7.516 -29.945 -29.945
  499   1HD   ARG  63          2HD       ARG  63  -9.510 -30.393 -30.393
  500   2HD   ARG  63          3HD       ARG  63  -8.975 -29.364 -29.364
  501    HE   ARG  63           HE       ARG  63  -6.950 -31.214 -31.214
  502   1HH1  ARG  63          2HH2      ARG  63 -10.452 -31.543 -31.543
  503   2HH1  ARG  63          1HH2      ARG  63 -10.410 -33.071 -33.071
  504   1HH2  ARG  63          2HH1      ARG  63  -6.894 -33.229 -33.229
  505   2HH2  ARG  63          1HH1      ARG  63  -8.372 -34.037 -34.037
  506    H    THR  64           HN       THR  64 -10.516 -27.047 -27.047
  507    HA   THR  64           HA       THR  64 -10.959 -24.268 -24.268
  508    HB   THR  64           HB       THR  64 -12.546 -24.088 -24.088
  509    HG1  THR  64           HG1      THR  64 -11.563 -26.780 -26.780
  510   1HG2  THR  64          3HG2      THR  64  -9.802 -25.225 -25.225
  511   2HG2  THR  64          1HG2      THR  64 -10.960 -24.784 -24.784
  512   3HG2  THR  64          2HG2      THR  64 -10.364 -23.543 -23.543
  513    H    LEU  65           HN       LEU  65 -12.950 -23.780 -23.780
  514    HA   LEU  65           HA       LEU  65 -13.996 -26.084 -26.084
  515   1HB   LEU  65          2HB       LEU  65 -14.502 -23.124 -23.124
  516   2HB   LEU  65          3HB       LEU  65 -15.120 -24.390 -24.390
  517    HG   LEU  65           HG       LEU  65 -12.155 -24.078 -24.078
  518   1HD1  LEU  65          1HD1      LEU  65 -13.906 -22.141 -22.141
  519   2HD1  LEU  65          2HD1      LEU  65 -12.761 -22.824 -22.824
  520   3HD1  LEU  65          3HD1      LEU  65 -12.155 -22.065 -22.065
  521   1HD2  LEU  65          1HD2      LEU  65 -13.046 -26.125 -26.125
  522   2HD2  LEU  65          2HD2      LEU  65 -11.977 -25.168 -25.168
  523   3HD2  LEU  65          3HD2      LEU  65 -13.741 -25.104 -25.104
  524    H    ASP  66           HN       ASP  66 -16.205 -26.712 -26.712
  525    HA   ASP  66           HA       ASP  66 -17.420 -26.854 -26.854
  526   1HB   ASP  66          2HB       ASP  66 -18.075 -27.422 -27.422
  527   2HB   ASP  66          3HB       ASP  66 -19.445 -26.531 -26.531
  528    H    ASN  67           HN       ASN  67 -17.808 -24.316 -24.316
  529    HA   ASN  67           HA       ASN  67 -18.998 -22.627 -22.627
  530   1HB   ASN  67          2HB       ASN  67 -20.680 -23.666 -23.666
  531   2HB   ASN  67          3HB       ASN  67 -19.962 -22.534 -22.534
  532   1HD2  ASN  67          2HD2      ASN  67 -22.669 -20.512 -20.512
  533   2HD2  ASN  67          1HD2      ASN  67 -22.137 -21.684 -21.684
  534    H    GLY  68           HN       GLY  68 -16.492 -22.114 -22.114
  535   1HA   GLY  68          1HA       GLY  68 -16.213 -19.822 -19.822
  536   2HA   GLY  68          2HA       GLY  68 -15.100 -21.148 -21.148
  537    H    GLY  69           HN       GLY  69 -13.163 -20.932 -20.932
  538   1HA   GLY  69          1HA       GLY  69 -13.142 -19.921 -19.921
  539   2HA   GLY  69          2HA       GLY  69 -12.196 -19.072 -19.072
  540    H    PHE  70           HN       PHE  70 -10.143 -19.792 -19.792
  541    HA   PHE  70           HA       PHE  70  -9.534 -22.578 -22.578
  542   1HB   PHE  70          2HB       PHE  70  -7.881 -20.117 -20.117
  543   2HB   PHE  70          3HB       PHE  70  -7.496 -21.781 -21.781
  544    HD1  PHE  70           HD1      PHE  70 -10.232 -19.287 -19.287
  545    HD2  PHE  70           HD2      PHE  70  -8.116 -22.600 -22.600
  546    HE1  PHE  70           HE1      PHE  70 -11.518 -19.075 -19.075
  547    HE2  PHE  70           HE2      PHE  70  -9.403 -22.389 -22.389
  548   1HZ   PHE  70           HZ       PHE  70 -11.088 -20.628 -20.628
  549    H    TYR  71           HN       TYR  71  -8.094 -23.521 -23.521
  550    HA   TYR  71           HA       TYR  71  -6.648 -21.726 -21.726
  551   1HB   TYR  71          2HB       TYR  71  -7.532 -23.023 -23.023
  552   2HB   TYR  71          3HB       TYR  71  -8.912 -22.535 -22.535
  553    HD1  TYR  71           HD1      TYR  71  -9.977 -24.215 -24.215
  554    HD2  TYR  71           HD2      TYR  71  -7.030 -25.324 -25.324
  555    HE1  TYR  71           HE1      TYR  71 -10.697 -26.646 -26.646
  556    HE2  TYR  71           HE2      TYR  71  -7.760 -27.751 -27.751
  557    HH   TYR  71           HH       TYR  71  -8.853 -29.162 -29.162
  558    H    ILE  72           HN       ILE  72  -4.745 -22.662 -22.662
  559    HA   ILE  72           HA       ILE  72  -3.896 -25.085 -25.085
  560    HB   ILE  72           HB       ILE  72  -2.447 -22.633 -22.633
  561   1HG1  ILE  72          2HG1      ILE  72  -2.417 -24.158 -24.158
  562   2HG1  ILE  72          3HG1      ILE  72  -3.397 -22.743 -22.743
  563   1HG2  ILE  72          2HG2      ILE  72  -1.301 -25.393 -25.393
  564   2HG2  ILE  72          3HG2      ILE  72  -0.329 -23.929 -23.929
  565   3HG2  ILE  72          1HG2      ILE  72  -1.030 -24.235 -24.235
  566   1HD1  ILE  72          1HD1      ILE  72  -0.860 -21.903 -21.903
  567   2HD1  ILE  72          2HD1      ILE  72  -0.518 -22.926 -22.926
  568   3HD1  ILE  72          3HD1      ILE  72  -1.624 -21.540 -21.540
  569    H    SER  73           HN       SER  73  -3.887 -23.353 -23.353
  570    HA   SER  73           HA       SER  73  -3.424 -25.969 -25.969
  571   1HB   SER  73          2HB       SER  73  -1.592 -24.184 -24.184
  572   2HB   SER  73          3HB       SER  73  -2.732 -23.284 -23.284
  573    HG   SER  73           HG       SER  73  -2.234 -24.540 -24.540
  574    HA   PRO  74           HA       PRO  74  -7.236 -25.313 -25.313
  575   1HB   PRO  74          2HB       PRO  74  -7.046 -27.073 -27.073
  576   2HB   PRO  74          3HB       PRO  74  -7.472 -27.558 -27.558
  577   1HG   PRO  74          2HG       PRO  74  -4.913 -27.925 -27.925
  578   2HG   PRO  74          3HG       PRO  74  -5.499 -28.752 -28.752
  579   1HD   PRO  74          2HD       PRO  74  -3.535 -26.663 -26.663
  580   2HD   PRO  74          3HD       PRO  74  -4.206 -27.410 -27.410
  581    H    ARG  75           HN       ARG  75  -5.877 -23.123 -23.123
  582    HA   ARG  75           HA       ARG  75  -6.365 -22.713 -22.713
  583   1HB   ARG  75          2HB       ARG  75  -3.896 -21.711 -21.711
  584   2HB   ARG  75          3HB       ARG  75  -4.294 -21.294 -21.294
  585   1HG   ARG  75          2HG       ARG  75  -4.185 -24.223 -24.223
  586   2HG   ARG  75          3HG       ARG  75  -2.660 -23.363 -23.363
  587   1HD   ARG  75          2HD       ARG  75  -3.614 -22.426 -22.426
  588   2HD   ARG  75          3HD       ARG  75  -4.647 -23.840 -23.840
  589    HE   ARG  75           HE       ARG  75  -1.965 -24.661 -24.661
  590   1HH1  ARG  75          2HH2      ARG  75  -3.909 -23.467 -23.467
  591   2HH1  ARG  75          1HH2      ARG  75  -2.952 -24.252 -24.252
  592   1HH2  ARG  75          2HH1      ARG  75  -0.702 -25.697 -25.697
  593   2HH2  ARG  75          1HH1      ARG  75  -1.116 -25.529 -25.529
  594    H    SER  76           HN       SER  76  -5.132 -20.881 -20.881
  595    HA   SER  76           HA       SER  76  -7.380 -19.068 -19.068
  596   1HB   SER  76          2HB       SER  76  -4.498 -18.388 -18.388
  597   2HB   SER  76          3HB       SER  76  -5.817 -17.247 -17.247
  598    HG   SER  76           HG       SER  76  -4.451 -18.049 -18.049
  599    H    THR  77           HN       THR  77  -8.750 -19.280 -19.280
  600    HA   THR  77           HA       THR  77  -7.616 -20.148 -20.148
  601    HB   THR  77           HB       THR  77  -9.977 -20.695 -20.695
  602    HG1  THR  77           HG1      THR  77 -11.498 -19.601 -19.601
  603   1HG2  THR  77          3HG2      THR  77  -9.042 -21.462 -21.462
  604   2HG2  THR  77          1HG2      THR  77 -10.582 -22.054 -22.054
  605   3HG2  THR  77          2HG2      THR  77  -9.047 -22.472 -22.472
  606    H    PHE  78           HN       PHE  78  -8.687 -19.151 -19.151
  607    HA   PHE  78           HA       PHE  78  -9.100 -16.288 -16.288
  608   1HB   PHE  78          2HB       PHE  78  -7.436 -17.522 -17.522
  609   2HB   PHE  78          3HB       PHE  78  -7.486 -15.834 -15.834
  610    HD1  PHE  78           HD2      PHE  78  -6.352 -19.180 -19.180
  611    HD2  PHE  78           HD1      PHE  78  -5.978 -14.979 -14.979
  612    HE1  PHE  78           HE2      PHE  78  -4.337 -19.523 -19.523
  613    HE2  PHE  78           HE1      PHE  78  -3.962 -15.323 -15.323
  614   1HZ   PHE  78           HZ       PHE  78  -3.166 -17.591 -17.591
  615    H    SER  79           HN       SER  79 -10.657 -15.362 -15.362
  616    HA   SER  79           HA       SER  79 -12.330 -17.174 -17.174
  617   1HB   SER  79          2HB       SER  79 -12.343 -14.123 -14.123
  618   2HB   SER  79          3HB       SER  79 -13.653 -15.132 -15.132
  619    HG   SER  79           HG       SER  79 -14.330 -15.397 -15.397
  620    H    THR  80           HN       THR  80  -9.710 -14.942 -14.942
  621    HA   THR  80           HA       THR  80  -9.993 -15.852 -15.852
  622    HB   THR  80           HB       THR  80  -9.425 -13.533 -13.533
  623    HG1  THR  80           HG1      THR  80  -8.640 -12.232 -12.232
  624   1HG2  THR  80          2HG2      THR  80 -11.787 -13.944 -13.944
  625   2HG2  THR  80          3HG2      THR  80 -11.421 -12.303 -12.303
  626   3HG2  THR  80          1HG2      THR  80 -11.785 -13.599 -13.599
  627    H    LEU  81           HN       LEU  81  -7.939 -15.643 -15.643
  628    HA   LEU  81           HA       LEU  81  -5.804 -16.617 -16.617
  629   1HB   LEU  81          2HB       LEU  81  -6.366 -16.520 -16.520
  630   2HB   LEU  81          3HB       LEU  81  -4.726 -16.779 -16.779
  631    HG   LEU  81           HG       LEU  81  -7.032 -18.501 -18.501
  632   1HD1  LEU  81          3HD1      LEU  81  -5.781 -18.415 -18.415
  633   2HD1  LEU  81          1HD1      LEU  81  -5.586 -20.000 -20.000
  634   3HD1  LEU  81          2HD1      LEU  81  -7.212 -19.312 -19.312
  635   1HD2  LEU  81          2HD2      LEU  81  -4.060 -18.568 -18.568
  636   2HD2  LEU  81          3HD2      LEU  81  -5.335 -18.973 -18.973
  637   3HD2  LEU  81          1HD2      LEU  81  -4.934 -20.112 -20.112
  638    H    GLN  82           HN       GLN  82  -6.824 -13.651 -13.651
  639    HA   GLN  82           HA       GLN  82  -4.287 -12.511 -12.511
  640   1HB   GLN  82          2HB       GLN  82  -6.267 -11.680 -11.680
  641   2HB   GLN  82          3HB       GLN  82  -7.032 -11.211 -11.211
  642   1HG   GLN  82          2HG       GLN  82  -6.093  -9.168  -9.168
  643   2HG   GLN  82          3HG       GLN  82  -4.707  -9.858  -9.858
  644   1HE2  GLN  82          2HE2      GLN  82  -2.598  -9.918  -9.918
  645   2HE2  GLN  82          1HE2      GLN  82  -2.862 -10.161 -10.161
  646    H    GLU  83           HN       GLU  83  -6.633 -12.797 -12.797
  647    HA   GLU  83           HA       GLU  83  -5.246 -10.875 -10.875
  648   1HB   GLU  83          2HB       GLU  83  -7.450 -12.850 -12.850
  649   2HB   GLU  83          3HB       GLU  83  -6.884 -11.542 -11.542
  650   1HG   GLU  83          2HG       GLU  83  -7.681 -10.755 -10.755
  651   2HG   GLU  83          3HG       GLU  83  -8.986 -11.315 -11.315
  652    H    LEU  84           HN       LEU  84  -5.128 -14.332 -14.332
  653    HA   LEU  84           HA       LEU  84  -3.829 -15.002 -15.002
  654   1HB   LEU  84          2HB       LEU  84  -5.032 -16.746 -16.746
  655   2HB   LEU  84          3HB       LEU  84  -4.552 -16.399 -16.399
  656    HG   LEU  84           HG       LEU  84  -2.457 -17.325 -17.325
  657   1HD1  LEU  84          1HD1      LEU  84  -4.834 -18.863 -18.863
  658   2HD1  LEU  84          2HD1      LEU  84  -3.306 -19.673 -19.673
  659   3HD1  LEU  84          3HD1      LEU  84  -3.610 -19.166 -19.166
  660   1HD2  LEU  84          2HD2      LEU  84  -2.918 -17.756 -17.756
  661   2HD2  LEU  84          3HD2      LEU  84  -1.759 -16.631 -16.631
  662   3HD2  LEU  84          1HD2      LEU  84  -1.542 -18.387 -18.387
  663    H    VAL  85           HN       VAL  85  -2.875 -14.040 -14.040
  664    HA   VAL  85           HA       VAL  85  -0.131 -14.686 -14.686
  665    HB   VAL  85           HB       VAL  85  -1.585 -12.968 -12.968
  666   1HG1  VAL  85          2HG1      VAL  85   1.112 -12.846 -12.846
  667   2HG1  VAL  85          3HG1      VAL  85   1.040 -14.061 -14.061
  668   3HG1  VAL  85          1HG1      VAL  85   0.352 -12.440 -12.440
  669   1HG2  VAL  85          3HG2      VAL  85  -1.850 -15.619 -15.619
  670   2HG2  VAL  85          1HG2      VAL  85  -1.825 -14.818 -14.818
  671   3HG2  VAL  85          2HG2      VAL  85  -0.353 -15.597 -15.597
  672    H    ASP  86           HN       ASP  86  -2.250 -11.902 -11.902
  673    HA   ASP  86           HA       ASP  86  -0.108 -10.097 -10.097
  674   1HB   ASP  86          2HB       ASP  86  -3.072 -10.116 -10.116
  675   2HB   ASP  86          3HB       ASP  86  -2.120  -8.910  -8.910
  676    H    HIS  87           HN       HIS  87  -2.005 -12.356 -12.356
  677    HA   HIS  87           HA       HIS  87  -1.127 -11.285 -11.285
  678   1HB   HIS  87          2HB       HIS  87  -3.239 -12.657 -12.657
  679   2HB   HIS  87          3HB       HIS  87  -2.201 -14.068 -14.068
  680    HD1  HIS  87           HD1      HIS  87  -0.744 -14.276 -14.276
  681    HD2  HIS  87           HD2      HIS  87  -4.242 -11.961 -11.961
  682    HE1  HIS  87           HE1      HIS  87  -1.433 -14.044 -14.044
  683    H    TYR  88           HN       TYR  88   0.045 -13.715 -13.715
  684    HA   TYR  88           HA       TYR  88   1.961 -14.815 -14.815
  685   1HB   TYR  88          2HB       TYR  88   1.156 -14.928 -14.928
  686   2HB   TYR  88          3HB       TYR  88   2.745 -15.542 -15.542
  687    HD1  TYR  88           HD2      TYR  88   2.174 -16.798 -16.798
  688    HD2  TYR  88           HD1      TYR  88  -0.041 -16.864 -16.864
  689    HE1  TYR  88           HE2      TYR  88   1.140 -19.026 -19.026
  690    HE2  TYR  88           HE1      TYR  88  -1.068 -19.091 -19.091
  691    HH   TYR  88           HH       TYR  88  -1.538 -20.224 -20.224
  692    H    LYS  89           HN       LYS  89   1.772 -12.018 -12.018
  693    HA   LYS  89           HA       LYS  89   4.609 -11.819 -11.819
  694   1HB   LYS  89          2HB       LYS  89   2.202 -10.191 -10.191
  695   2HB   LYS  89          3HB       LYS  89   3.781  -9.433  -9.433
  696   1HG   LYS  89          2HG       LYS  89   4.079 -12.009 -12.009
  697   2HG   LYS  89          3HG       LYS  89   2.626 -11.295 -11.295
  698   1HD   LYS  89          2HD       LYS  89   3.931  -9.188  -9.188
  699   2HD   LYS  89          3HD       LYS  89   5.380  -9.975  -9.975
  700   1HE   LYS  89          2HE       LYS  89   5.706 -10.882 -10.882
  701   2HE   LYS  89          3HE       LYS  89   4.221 -11.794 -11.794
  702   1HZ   LYS  89          3HZ       LYS  89   3.289  -9.396  -9.396
  703   2HZ   LYS  89          1HZ       LYS  89   4.696  -9.377  -9.377
  704   3HZ   LYS  89          2HZ       LYS  89   3.605 -10.562 -10.562
  705    H    LYS  90           HN       LYS  90   2.150 -10.723 -10.723
  706    HA   LYS  90           HA       LYS  90   3.899  -8.784  -8.784
  707   1HB   LYS  90          2HB       LYS  90   1.132  -9.821  -9.821
  708   2HB   LYS  90          3HB       LYS  90   1.974  -8.929  -8.929
  709   1HG   LYS  90          2HG       LYS  90   2.480  -7.286  -7.286
  710   2HG   LYS  90          3HG       LYS  90   0.967  -7.981  -7.981
  711   1HD   LYS  90          2HD       LYS  90  -0.268  -7.021  -7.021
  712   2HD   LYS  90          3HD       LYS  90   1.070  -7.060  -7.060
  713   1HE   LYS  90          2HE       LYS  90   1.387  -4.853  -4.853
  714   2HE   LYS  90          3HE       LYS  90   1.964  -5.314  -5.314
  715   1HZ   LYS  90          2HZ       LYS  90  -0.840  -5.352  -5.352
  716   2HZ   LYS  90          3HZ       LYS  90  -0.300  -3.900  -3.900
  717   3HZ   LYS  90          1HZ       LYS  90   0.152  -4.466  -4.466
  718    H    GLY  91           HN       GLY  91   3.180 -12.228 -12.228
  719   1HA   GLY  91          1HA       GLY  91   5.453 -12.748 -12.748
  720   2HA   GLY  91          2HA       GLY  91   4.093 -12.612 -12.612
  721    H    ASN  92           HN       ASN  92   5.803 -14.982 -14.982
  722    HA   ASN  92           HA       ASN  92   4.559 -16.605 -16.605
  723   1HB   ASN  92          2HB       ASN  92   5.335 -18.507 -18.507
  724   2HB   ASN  92          3HB       ASN  92   6.556 -17.450 -17.450
  725   1HD2  ASN  92          2HD2      ASN  92   6.459 -17.882 -17.882
  726   2HD2  ASN  92          1HD2      ASN  92   5.985 -18.991 -18.991
  727    H    ASP  93           HN       ASP  93   3.838 -16.148 -16.148
  728    HA   ASP  93           HA       ASP  93   2.214 -16.890 -16.890
  729   1HB   ASP  93          2HB       ASP  93   1.200 -14.973 -14.973
  730   2HB   ASP  93          3HB       ASP  93   0.468 -16.173 -16.173
  731    H    GLY  94           HN       GLY  94   3.319 -19.153 -19.153
  732   1HA   GLY  94          1HA       GLY  94   1.916 -21.267 -21.267
  733   2HA   GLY  94          2HA       GLY  94   1.168 -20.749 -20.749
  734    H    LEU  95           HN       LEU  95   3.322 -19.713 -19.713
  735    HA   LEU  95           HA       LEU  95   4.522 -22.108 -22.108
  736   1HB   LEU  95          2HB       LEU  95   5.074 -19.219 -19.219
  737   2HB   LEU  95          3HB       LEU  95   5.728 -20.600 -20.600
  738    HG   LEU  95           HG       LEU  95   2.762 -20.057 -20.057
  739   1HD1  LEU  95          1HD1      LEU  95   3.872 -18.202 -18.202
  740   2HD1  LEU  95          2HD1      LEU  95   4.576 -19.365 -19.365
  741   3HD1  LEU  95          3HD1      LEU  95   2.811 -19.147 -19.147
  742   1HD2  LEU  95          1HD2      LEU  95   4.081 -22.372 -22.372
  743   2HD2  LEU  95          2HD2      LEU  95   2.398 -21.948 -21.948
  744   3HD2  LEU  95          3HD2      LEU  95   3.699 -21.610 -21.610
  745    H    CYS  96           HN       CYS  96   7.050 -22.095 -22.095
  746    HA   CYS  96           HA       CYS  96   8.181 -21.980 -21.980
  747   1HB   CYS  96          2HB       CYS  96  10.115 -23.099 -23.099
  748   2HB   CYS  96          3HB       CYS  96   8.620 -23.930 -23.930
  749    HG   CYS  96           HG       CYS  96  10.173 -21.656 -21.656
  750    H    GLN  97           HN       GLN  97   8.177 -20.175 -20.175
  751    HA   GLN  97           HA       GLN  97   9.837 -18.189 -18.189
  752   1HB   GLN  97          2HB       GLN  97  10.442 -19.600 -19.600
  753   2HB   GLN  97          3HB       GLN  97  10.837 -17.896 -17.896
  754   1HG   GLN  97          2HG       GLN  97  12.031 -18.468 -18.468
  755   2HG   GLN  97          3HG       GLN  97  11.847 -20.153 -20.153
  756   1HE2  GLN  97          2HE2      GLN  97  14.024 -20.008 -20.008
  757   2HE2  GLN  97          1HE2      GLN  97  12.525 -20.676 -20.676
  758    H    LYS  98           HN       LYS  98   9.366 -16.013 -16.013
  759    HA   LYS  98           HA       LYS  98   6.724 -15.629 -15.629
  760   1HB   LYS  98          2HB       LYS  98   7.147 -13.317 -13.317
  761   2HB   LYS  98          3HB       LYS  98   8.018 -14.166 -14.166
  762   1HG   LYS  98          2HG       LYS  98   9.967 -14.105 -14.105
  763   2HG   LYS  98          3HG       LYS  98   9.084 -12.661 -12.661
  764   1HD   LYS  98          2HD       LYS  98   9.186 -12.156 -12.156
  765   2HD   LYS  98          3HD       LYS  98  10.547 -13.259 -13.259
  766   1HE   LYS  98          2HE       LYS  98  10.865 -11.486 -11.486
  767   2HE   LYS  98          3HE       LYS  98  10.424 -10.483 -10.483
  768   1HZ   LYS  98          2HZ       LYS  98  12.187 -12.059 -12.059
  769   2HZ   LYS  98          3HZ       LYS  98  12.779 -12.092 -12.092
  770   3HZ   LYS  98          1HZ       LYS  98  12.606 -10.667 -10.667
  771    H    LEU  99           HN       LEU  99   6.185 -14.097 -14.097
  772    HA   LEU  99           HA       LEU  99   7.496 -15.218 -15.218
  773   1HB   LEU  99          2HB       LEU  99   4.934 -13.723 -13.723
  774   2HB   LEU  99          3HB       LEU  99   5.574 -13.928 -13.928
  775    HG   LEU  99           HG       LEU  99   4.626 -16.065 -16.065
  776   1HD1  LEU  99          1HD1      LEU  99   3.041 -14.740 -14.740
  777   2HD1  LEU  99          2HD1      LEU  99   3.790 -15.642 -15.642
  778   3HD1  LEU  99          3HD1      LEU  99   2.948 -16.517 -16.517
  779   1HD2  LEU  99          1HD2      LEU  99   6.580 -16.284 -16.284
  780   2HD2  LEU  99          2HD2      LEU  99   6.330 -17.315 -17.315
  781   3HD2  LEU  99          3HD2      LEU  99   5.270 -17.489 -17.489
  782    H    SER 100           HN       SER 100   8.908 -14.127 -14.127
  783    HA   SER 100           HA       SER 100   9.483 -11.415 -11.415
  784   1HB   SER 100          2HB       SER 100  11.595 -11.709 -11.709
  785   2HB   SER 100          3HB       SER 100  11.378 -12.979 -12.979
  786    HG   SER 100           HG       SER 100  12.064 -13.855 -13.855
  787    H    VAL 101           HN       VAL 101   9.772 -13.079 -13.079
  788    HA   VAL 101           HA       VAL 101   8.079 -10.958 -10.958
  789    HB   VAL 101           HB       VAL 101   9.638 -11.170 -11.170
  790   1HG1  VAL 101          1HG1      VAL 101   9.478  -9.157  -9.157
  791   2HG1  VAL 101          2HG1      VAL 101  10.628  -9.848  -9.848
  792   3HG1  VAL 101          3HG1      VAL 101  11.166  -9.455  -9.455
  793   1HG2  VAL 101          2HG2      VAL 101  10.818 -13.173 -13.173
  794   2HG2  VAL 101          3HG2      VAL 101  11.649 -12.210 -12.210
  795   3HG2  VAL 101          1HG2      VAL 101  11.859 -11.810 -11.810
  796    HA   PRO 102           HA       PRO 102   6.040 -14.273 -14.273
  797   1HB   PRO 102          2HB       PRO 102   4.822 -13.039 -13.039
  798   2HB   PRO 102          3HB       PRO 102   4.201 -12.971 -12.971
  799   1HG   PRO 102          2HG       PRO 102   5.609 -10.875 -10.875
  800   2HG   PRO 102          3HG       PRO 102   4.624 -10.706 -10.706
  801   1HD   PRO 102          2HD       PRO 102   7.488 -10.637 -10.637
  802   2HD   PRO 102          3HD       PRO 102   6.506 -10.585 -10.585
  803    H    CYS 103           HN       CYS 103   6.111 -15.914 -15.914
  804    HA   CYS 103           HA       CYS 103   8.488 -16.377 -16.377
  805   1HB   CYS 103          2HB       CYS 103   6.241 -17.775 -17.775
  806   2HB   CYS 103          3HB       CYS 103   6.060 -17.179 -17.179
  807    HG   CYS 103           HG       CYS 103   8.752 -18.618 -18.618
  808    H    MET 104           HN       MET 104   9.340 -16.173 -16.173
  809    HA   MET 104           HA       MET 104   8.479 -13.648 -13.648
  810   1HB   MET 104          2HB       MET 104  10.979 -15.390 -15.390
  811   2HB   MET 104          3HB       MET 104  10.708 -13.943 -13.943
  812   1HG   MET 104          2HG       MET 104  10.475 -13.723 -13.723
  813   2HG   MET 104          3HG       MET 104  12.079 -13.865 -13.865
  814   1HE   MET 104          2HE       MET 104  10.263 -11.549 -11.549
  815   2HE   MET 104          3HE       MET 104  12.010 -11.246 -11.246
  816   3HE   MET 104          1HE       MET 104  10.840 -10.022 -10.022
  817    H    SER 105           HN       SER 105   8.119 -13.404 -13.404
  818    HA   SER 105           HA       SER 105   7.088 -15.862 -15.862
  819   1HB   SER 105          2HB       SER 105   5.782 -13.615 -13.615
  820   2HB   SER 105          3HB       SER 105   6.788 -13.075 -13.075
  821    HG   SER 105           HG       SER 105   4.947 -13.948 -13.948
  822    H    SER 106           HN       SER 106   8.092 -16.913 -16.913
  823    HA   SER 106           HA       SER 106  10.330 -15.480 -15.480
  824   1HB   SER 106          2HB       SER 106  10.134 -18.084 -18.084
  825   2HB   SER 106          3HB       SER 106  10.404 -18.325 -18.325
  826    HG   SER 106           HG       SER 106  12.024 -16.757 -16.757
  827    H    LYS 107           HN       LYS 107  10.616 -15.597 -15.597
  828    HA   LYS 107           HA       LYS 107   8.523 -16.931 -16.931
  829   1HB   LYS 107          2HB       LYS 107   7.847 -14.960 -14.960
  830   2HB   LYS 107          3HB       LYS 107   7.603 -14.693 -14.693
  831   1HG   LYS 107          2HG       LYS 107   9.043 -12.935 -12.935
  832   2HG   LYS 107          3HG       LYS 107  10.302 -13.875 -13.875
  833   1HD   LYS 107          2HD       LYS 107   9.635 -13.246 -13.246
  834   2HD   LYS 107          3HD       LYS 107   7.984 -12.919 -12.919
  835   1HE   LYS 107          2HE       LYS 107   8.687 -10.877 -10.877
  836   2HE   LYS 107          3HE       LYS 107  10.374 -11.231 -11.231
  837   1HZ   LYS 107          3HZ       LYS 107   9.780 -11.139 -11.139
  838   2HZ   LYS 107          1HZ       LYS 107   8.312 -10.560 -10.560
  839   3HZ   LYS 107          2HZ       LYS 107   9.659  -9.712  -9.712

  Start of MODEL    8
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.804  -0.929  -0.929
    3   1HB   MET   1          2HB       MET   1   1.593   2.094   2.094
    4   2HB   MET   1          3HB       MET   1   2.459   1.437   1.437
    5   1HG   MET   1          2HG       MET   1   0.461   0.177   0.177
    6   2HG   MET   1          3HG       MET   1  -0.411   0.668   0.668
    7   1HE   MET   1          1HE       MET   1  -2.097   1.079   1.079
    8   2HE   MET   1          2HE       MET   1  -2.497   2.773   2.773
    9   3HE   MET   1          3HE       MET   1  -2.176   2.284   2.284
   10    H    GLU   2           HN       GLU   2   3.682  -2.024  -2.024
   11    HA   GLU   2           HA       GLU   2   5.806  -2.349  -2.349
   12   1HB   GLU   2          2HB       GLU   2   6.042   0.486   0.486
   13   2HB   GLU   2          3HB       GLU   2   7.445  -0.494  -0.494
   14   1HG   GLU   2          2HG       GLU   2   5.876  -2.241  -2.241
   15   2HG   GLU   2          3HG       GLU   2   5.568  -0.695  -0.695
   16    H    THR   3           HN       THR   3   7.446  -2.159  -2.159
   17    HA   THR   3           HA       THR   3   7.240   0.053   0.053
   18    HB   THR   3           HB       THR   3   6.963  -1.765  -1.765
   19    HG1  THR   3           HG1      THR   3   7.125  -3.620  -3.620
   20   1HG2  THR   3          3HG2      THR   3   5.130  -0.102  -0.102
   21   2HG2  THR   3          1HG2      THR   3   4.539  -1.446  -1.446
   22   3HG2  THR   3          2HG2      THR   3   4.562  -1.605  -1.605
   23    H    GLU   4           HN       GLU   4   9.252   0.685   0.685
   24    HA   GLU   4           HA       GLU   4  11.225  -1.415  -1.415
   25   1HB   GLU   4          2HB       GLU   4  11.580   1.040   1.040
   26   2HB   GLU   4          3HB       GLU   4  12.878  -0.048  -0.048
   27   1HG   GLU   4          2HG       GLU   4  12.196  -0.894  -0.894
   28   2HG   GLU   4          3HG       GLU   4  11.367  -1.949  -1.949
   29    H    GLU   5           HN       GLU   5  11.414  -1.108  -1.108
   30    HA   GLU   5           HA       GLU   5  12.162   1.602   1.602
   31   1HB   GLU   5          2HB       GLU   5  10.295  -0.360  -0.360
   32   2HB   GLU   5          3HB       GLU   5  11.425   0.298   0.298
   33   1HG   GLU   5          2HG       GLU   5  10.787   2.603   2.603
   34   2HG   GLU   5          3HG       GLU   5   9.756   2.013   2.013
   35    H    TRP   6           HN       TRP   6  14.216   0.229   0.229
   36    HA   TRP   6           HA       TRP   6  15.516  -1.314  -1.314
   37   1HB   TRP   6          2HB       TRP   6  17.325  -1.459  -1.459
   38   2HB   TRP   6          3HB       TRP   6  15.815  -2.312  -2.312
   39    HD1  TRP   6           HD1      TRP   6  14.548  -1.746  -1.746
   40    HE1  TRP   6           HE1      TRP   6  14.803  -0.052  -0.052
   41    HE3  TRP   6           HE3      TRP   6  18.186   1.078   1.078
   42    HZ2  TRP   6           HZ2      TRP   6  16.459   2.228   2.228
   43    HZ3  TRP   6           HZ3      TRP   6  19.067   3.020   3.020
   44    HH2  TRP   6           HH2      TRP   6  18.262   3.611   3.611
   45    H    PHE   7           HN       PHE   7  15.150   1.949   1.949
   46    HA   PHE   7           HA       PHE   7  17.740   2.703   2.703
   47   1HB   PHE   7          2HB       PHE   7  17.152   3.574   3.574
   48   2HB   PHE   7          3HB       PHE   7  15.573   4.083   4.083
   49    HD1  PHE   7           HD1      PHE   7  19.175   4.666   4.666
   50    HD2  PHE   7           HD2      PHE   7  15.283   6.320   6.320
   51    HE1  PHE   7           HE1      PHE   7  20.095   6.943   6.943
   52    HE2  PHE   7           HE2      PHE   7  16.204   8.597   8.597
   53   1HZ   PHE   7           HZ       PHE   7  18.599   8.881   8.881
   54    H    PHE   8           HN       PHE   8  17.915   3.932   3.932
   55    HA   PHE   8           HA       PHE   8  15.403   4.889   4.889
   56   1HB   PHE   8          2HB       PHE   8  17.692   3.251   3.251
   57   2HB   PHE   8          3HB       PHE   8  16.523   4.094   4.094
   58    HD1  PHE   8           HD1      PHE   8  14.003   3.585   3.585
   59    HD2  PHE   8           HD2      PHE   8  17.279   0.992   0.992
   60    HE1  PHE   8           HE1      PHE   8  12.466   1.605   1.605
   61    HE2  PHE   8           HE2      PHE   8  15.741  -0.988  -0.988
   62   1HZ   PHE   8           HZ       PHE   8  13.353  -0.658  -0.658
   63    H    LYS   9           HN       LYS   9  15.549   6.849   6.849
   64    HA   LYS   9           HA       LYS   9  18.230   8.052   8.052
   65   1HB   LYS   9          2HB       LYS   9  17.249  10.174  10.174
   66   2HB   LYS   9          3HB       LYS   9  16.750   8.994   8.994
   67   1HG   LYS   9          2HG       LYS   9  14.937   9.273   9.273
   68   2HG   LYS   9          3HG       LYS   9  15.016  10.669  10.669
   69   1HD   LYS   9          2HD       LYS   9  14.546   7.848   7.848
   70   2HD   LYS   9          3HD       LYS   9  13.230   8.897   8.897
   71   1HE   LYS   9          2HE       LYS   9  15.162  10.234  10.234
   72   2HE   LYS   9          3HE       LYS   9  14.402   8.833   8.833
   73   1HZ   LYS   9          1HZ       LYS   9  12.339  10.038  10.038
   74   2HZ   LYS   9          2HZ       LYS   9  13.239  11.331  11.331
   75   3HZ   LYS   9          3HZ       LYS   9  12.759  10.255  10.255
   76    H    GLY  10           HN       GLY  10  18.694   9.519   9.519
   77   1HA   GLY  10          1HA       GLY  10  18.294  10.452  10.452
   78   2HA   GLY  10          2HA       GLY  10  16.800   9.548   9.548
   79    H    ILE  11           HN       ILE  11  18.342   7.019   7.019
   80    HA   ILE  11           HA       ILE  11  19.119   6.221   6.221
   81    HB   ILE  11           HB       ILE  11  17.789   4.965   4.965
   82   1HG1  ILE  11          2HG1      ILE  11  19.538   3.822   3.822
   83   2HG1  ILE  11          3HG1      ILE  11  17.817   4.146   4.146
   84   1HG2  ILE  11          3HG2      ILE  11  20.090   5.016   5.016
   85   2HG2  ILE  11          1HG2      ILE  11  20.424   3.583   3.583
   86   3HG2  ILE  11          2HG2      ILE  11  19.012   3.602   3.602
   87   1HD1  ILE  11          1HD1      ILE  11  17.877   2.448   2.448
   88   2HD1  ILE  11          2HD1      ILE  11  19.289   1.850   1.850
   89   3HD1  ILE  11          3HD1      ILE  11  17.688   1.891   1.891
   90    H    SER  12           HN       SER  12  21.208   5.170   5.170
   91    HA   SER  12           HA       SER  12  23.286   6.422   6.422
   92   1HB   SER  12          2HB       SER  12  24.706   6.290   6.290
   93   2HB   SER  12          3HB       SER  12  23.246   7.216   7.216
   94    HG   SER  12           HG       SER  12  22.576   4.710   4.710
   95    H    ARG  13           HN       ARG  13  25.529   4.986   4.986
   96    HA   ARG  13           HA       ARG  13  25.073   2.585   2.585
   97   1HB   ARG  13          2HB       ARG  13  27.178   3.822   3.822
   98   2HB   ARG  13          3HB       ARG  13  27.535   3.711   3.711
   99   1HG   ARG  13          2HG       ARG  13  27.052   1.091   1.091
  100   2HG   ARG  13          3HG       ARG  13  28.474   1.950   1.950
  101   1HD   ARG  13          2HD       ARG  13  27.873   1.418   1.418
  102   2HD   ARG  13          3HD       ARG  13  28.893   0.386   0.386
  103    HE   ARG  13           HE       ARG  13  29.635   2.940   2.940
  104   1HH1  ARG  13          2HH2      ARG  13  30.166   0.887   0.887
  105   2HH1  ARG  13          1HH2      ARG  13  31.730   1.546   1.546
  106   1HH2  ARG  13          2HH1      ARG  13  31.698   3.810   3.810
  107   2HH2  ARG  13          1HH1      ARG  13  32.607   3.220   3.220
  108    H    LYS  14           HN       LYS  14  25.216   3.576   3.576
  109    HA   LYS  14           HA       LYS  14  25.836   0.984   0.984
  110   1HB   LYS  14          2HB       LYS  14  24.875   3.561   3.561
  111   2HB   LYS  14          3HB       LYS  14  25.147   2.095   2.095
  112   1HG   LYS  14          2HG       LYS  14  27.300   3.210   3.210
  113   2HG   LYS  14          3HG       LYS  14  27.109   3.814   3.814
  114   1HD   LYS  14          2HD       LYS  14  27.242   1.353   1.353
  115   2HD   LYS  14          3HD       LYS  14  27.741   0.955   0.955
  116   1HE   LYS  14          2HE       LYS  14  29.869   1.524   1.524
  117   2HE   LYS  14          3HE       LYS  14  29.350   3.181   3.181
  118   1HZ   LYS  14          1HZ       LYS  14  28.661   1.513   1.513
  119   2HZ   LYS  14          2HZ       LYS  14  30.272   1.537   1.537
  120   3HZ   LYS  14          3HZ       LYS  14  29.466   2.934   2.934
  121    H    ASP  15           HN       ASP  15  22.849   3.052   3.052
  122    HA   ASP  15           HA       ASP  15  21.220   1.112   1.112
  123   1HB   ASP  15          2HB       ASP  15  20.786   3.541   3.541
  124   2HB   ASP  15          3HB       ASP  15  19.427   2.472   2.472
  125    H    ALA  16           HN       ALA  16  22.539   1.615   1.615
  126    HA   ALA  16           HA       ALA  16  20.609   0.064   0.064
  127   1HB   ALA  16          3HB       ALA  16  23.419   1.033   1.033
  128   2HB   ALA  16          1HB       ALA  16  22.397   0.148   0.148
  129   3HB   ALA  16          2HB       ALA  16  21.875   1.734   1.734
  130    H    GLU  17           HN       GLU  17  23.667  -0.564  -0.564
  131    HA   GLU  17           HA       GLU  17  23.959  -3.163  -3.163
  132   1HB   GLU  17          2HB       GLU  17  25.237  -1.521  -1.521
  133   2HB   GLU  17          3HB       GLU  17  25.440  -3.259  -3.259
  134   1HG   GLU  17          2HG       GLU  17  26.131  -3.136  -3.136
  135   2HG   GLU  17          3HG       GLU  17  26.277  -1.408  -1.408
  136    H    ARG  18           HN       ARG  18  22.087  -1.699  -1.699
  137    HA   ARG  18           HA       ARG  18  21.704  -4.217  -4.217
  138   1HB   ARG  18          2HB       ARG  18  21.039  -1.355  -1.355
  139   2HB   ARG  18          3HB       ARG  18  19.843  -2.493  -2.493
  140   1HG   ARG  18          2HG       ARG  18  22.123  -3.750  -3.750
  141   2HG   ARG  18          3HG       ARG  18  22.678  -2.088  -2.088
  142   1HD   ARG  18          2HD       ARG  18  21.745  -2.184  -2.184
  143   2HD   ARG  18          3HD       ARG  18  20.318  -1.689  -1.689
  144    HE   ARG  18           HE       ARG  18  19.400  -3.855  -3.855
  145   1HH1  ARG  18          1HH2      ARG  18  22.654  -5.343  -5.343
  146   2HH1  ARG  18          2HH2      ARG  18  22.743  -3.793  -3.793
  147   1HH2  ARG  18          2HH1      ARG  18  19.282  -5.900  -5.900
  148   2HH2  ARG  18          1HH1      ARG  18  20.672  -6.550  -6.550
  149    H    GLN  19           HN       GLN  19  20.196  -2.202  -2.202
  150    HA   GLN  19           HA       GLN  19  17.598  -3.246  -3.246
  151   1HB   GLN  19          2HB       GLN  19  19.024  -1.684  -1.684
  152   2HB   GLN  19          3HB       GLN  19  17.391  -2.271  -2.271
  153   1HG   GLN  19          2HG       GLN  19  17.545  -1.028  -1.028
  154   2HG   GLN  19          3HG       GLN  19  18.229   0.071   0.071
  155   1HE2  GLN  19          2HE2      GLN  19  15.253   0.538   0.538
  156   2HE2  GLN  19          1HE2      GLN  19  16.982   0.465   0.465
  157    H    LEU  20           HN       LEU  20  20.553  -4.240  -4.240
  158    HA   LEU  20           HA       LEU  20  19.153  -6.145  -6.145
  159   1HB   LEU  20          2HB       LEU  20  22.019  -5.343  -5.343
  160   2HB   LEU  20          3HB       LEU  20  21.614  -6.813  -6.813
  161    HG   LEU  20           HG       LEU  20  20.465  -4.129  -4.129
  162   1HD1  LEU  20          3HD1      LEU  20  23.119  -5.348  -5.348
  163   2HD1  LEU  20          1HD1      LEU  20  22.273  -4.193  -4.193
  164   3HD1  LEU  20          2HD1      LEU  20  22.763  -3.704  -3.704
  165   1HD2  LEU  20          1HD2      LEU  20  20.336  -6.878  -6.878
  166   2HD2  LEU  20          2HD2      LEU  20  19.223  -5.505  -5.505
  167   3HD2  LEU  20          3HD2      LEU  20  20.685  -5.631  -5.631
  168    H    LEU  21           HN       LEU  21  21.136  -6.078  -6.078
  169    HA   LEU  21           HA       LEU  21  21.187  -8.906  -8.906
  170   1HB   LEU  21          2HB       LEU  21  21.939  -6.565  -6.565
  171   2HB   LEU  21          3HB       LEU  21  21.786  -8.141  -8.141
  172    HG   LEU  21           HG       LEU  21  23.485  -7.829  -7.829
  173   1HD1  LEU  21          1HD1      LEU  21  23.907  -6.312  -6.312
  174   2HD1  LEU  21          2HD1      LEU  21  25.098  -7.635  -7.635
  175   3HD1  LEU  21          3HD1      LEU  21  25.012  -6.546  -6.546
  176   1HD2  LEU  21          2HD2      LEU  21  22.855  -9.937  -9.937
  177   2HD2  LEU  21          3HD2      LEU  21  23.970  -9.953  -9.953
  178   3HD2  LEU  21          1HD2      LEU  21  24.572  -9.530  -9.530
  179    H    ALA  22           HN       ALA  22  18.755  -6.512  -6.512
  180    HA   ALA  22           HA       ALA  22  17.383  -7.547  -7.547
  181   1HB   ALA  22          1HB       ALA  22  17.158  -5.347  -5.347
  182   2HB   ALA  22          2HB       ALA  22  15.882  -6.331  -6.331
  183   3HB   ALA  22          3HB       ALA  22  15.809  -5.964  -5.964
  184    HA   PRO  23           HA       PRO  23  15.346 -11.012 -11.012
  185   1HB   PRO  23          2HB       PRO  23  12.837 -10.897 -10.897
  186   2HB   PRO  23          3HB       PRO  23  14.242 -11.433 -11.433
  187   1HG   PRO  23          2HG       PRO  23  12.796  -8.861  -8.861
  188   2HG   PRO  23          3HG       PRO  23  13.906  -9.578  -9.578
  189   1HD   PRO  23          2HD       PRO  23  14.468  -7.431  -7.431
  190   2HD   PRO  23          3HD       PRO  23  15.608  -8.226  -8.226
  191    H    GLY  24           HN       GLY  24  14.719 -11.668 -11.668
  192   1HA   GLY  24          1HA       GLY  24  12.704 -11.551 -11.551
  193   2HA   GLY  24          2HA       GLY  24  12.866  -9.809  -9.809
  194    H    ASN  25           HN       ASN  25  15.678  -9.473  -9.473
  195    HA   ASN  25           HA       ASN  25  15.988  -9.939  -9.939
  196   1HB   ASN  25          2HB       ASN  25  17.723  -8.614  -8.614
  197   2HB   ASN  25          3HB       ASN  25  18.273  -8.777  -8.777
  198   1HD2  ASN  25          2HD2      ASN  25  15.804  -5.798  -5.798
  199   2HD2  ASN  25          1HD2      ASN  25  16.624  -6.884  -6.884
  200    H    MET  26           HN       MET  26  17.808 -11.167 -11.167
  201    HA   MET  26           HA       MET  26  19.328 -12.782 -12.782
  202   1HB   MET  26          2HB       MET  26  18.704 -14.882 -14.882
  203   2HB   MET  26          3HB       MET  26  17.246 -14.094 -14.094
  204   1HG   MET  26          2HG       MET  26  16.705 -13.267 -13.267
  205   2HG   MET  26          3HG       MET  26  18.300 -13.649 -13.649
  206   1HE   MET  26          2HE       MET  26  15.970 -14.264 -14.264
  207   2HE   MET  26          3HE       MET  26  17.201 -15.368 -15.368
  208   3HE   MET  26          1HE       MET  26  15.593 -15.990 -15.990
  209    H    LEU  27           HN       LEU  27  21.050 -14.118 -14.118
  210    HA   LEU  27           HA       LEU  27  22.717 -12.517 -12.517
  211   1HB   LEU  27          2HB       LEU  27  22.648 -15.154 -15.154
  212   2HB   LEU  27          3HB       LEU  27  22.663 -15.268 -15.268
  213    HG   LEU  27           HG       LEU  27  24.907 -15.337 -15.337
  214   1HD1  LEU  27          1HD1      LEU  27  24.267 -13.525 -13.525
  215   2HD1  LEU  27          2HD1      LEU  27  25.940 -13.697 -13.697
  216   3HD1  LEU  27          3HD1      LEU  27  25.047 -15.125 -15.125
  217   1HD2  LEU  27          2HD2      LEU  27  24.218 -13.343 -13.343
  218   2HD2  LEU  27          3HD2      LEU  27  25.889 -13.426 -13.426
  219   3HD2  LEU  27          1HD2      LEU  27  24.715 -12.336 -12.336
  220    H    GLY  28           HN       GLY  28  22.724 -11.405 -11.405
  221   1HA   GLY  28          1HA       GLY  28  22.475 -11.566 -11.566
  222   2HA   GLY  28          2HA       GLY  28  20.944 -12.380 -12.380
  223    H    SER  29           HN       SER  29  20.289 -10.567 -10.567
  224    HA   SER  29           HA       SER  29  18.814  -8.716  -8.716
  225   1HB   SER  29          2HB       SER  29  19.650  -8.504  -8.504
  226   2HB   SER  29          3HB       SER  29  18.236  -7.779  -7.779
  227    HG   SER  29           HG       SER  29  18.024 -10.363 -10.363
  228    H    PHE  30           HN       PHE  30  19.279  -6.675  -6.675
  229    HA   PHE  30           HA       PHE  30  21.800  -5.482  -5.482
  230   1HB   PHE  30          2HB       PHE  30  22.016  -4.681  -4.681
  231   2HB   PHE  30          3HB       PHE  30  21.885  -6.429  -6.429
  232    HD1  PHE  30           HD2      PHE  30  19.793  -7.530  -7.530
  233    HD2  PHE  30           HD1      PHE  30  20.293  -3.327  -3.327
  234    HE1  PHE  30           HE2      PHE  30  17.845  -7.414  -7.414
  235    HE2  PHE  30           HE1      PHE  30  18.345  -3.212  -3.212
  236   1HZ   PHE  30           HZ       PHE  30  17.144  -5.257  -5.257
  237    H    MET  31           HN       MET  31  21.886  -3.067  -3.067
  238    HA   MET  31           HA       MET  31  19.353  -1.779  -1.779
  239   1HB   MET  31          2HB       MET  31  19.244  -0.842  -0.842
  240   2HB   MET  31          3HB       MET  31  19.492  -2.564  -2.564
  241   1HG   MET  31          2HG       MET  31  22.047  -1.995  -1.995
  242   2HG   MET  31          3HG       MET  31  21.541  -0.333  -0.333
  243   1HE   MET  31          1HE       MET  31  19.216  -0.078  -0.078
  244   2HE   MET  31          2HE       MET  31  18.601  -1.743  -1.743
  245   3HE   MET  31          3HE       MET  31  19.000  -1.059  -1.059
  246    H    ILE  32           HN       ILE  32  19.574   0.441   0.441
  247    HA   ILE  32           HA       ILE  32  22.364   1.355   1.355
  248    HB   ILE  32           HB       ILE  32  20.086   1.668   1.668
  249   1HG1  ILE  32          2HG1      ILE  32  22.912   0.687   0.687
  250   2HG1  ILE  32          3HG1      ILE  32  21.587  -0.380  -0.380
  251   1HG2  ILE  32          1HG2      ILE  32  22.306   3.504   3.504
  252   2HG2  ILE  32          2HG2      ILE  32  22.213   2.973   2.973
  253   3HG2  ILE  32          3HG2      ILE  32  20.807   3.749   3.749
  254   1HD1  ILE  32          3HD1      ILE  32  20.306   0.439   0.439
  255   2HD1  ILE  32          1HD1      ILE  32  21.692   1.466   1.466
  256   3HD1  ILE  32          2HD1      ILE  32  21.858  -0.306  -0.306
  257    H    ARG  33           HN       ARG  33  22.831   3.439   3.439
  258    HA   ARG  33           HA       ARG  33  20.608   5.102   5.102
  259   1HB   ARG  33          2HB       ARG  33  21.187   5.330   5.330
  260   2HB   ARG  33          3HB       ARG  33  21.150   3.606   3.606
  261   1HG   ARG  33          2HG       ARG  33  23.745   3.973   3.973
  262   2HG   ARG  33          3HG       ARG  33  23.540   5.404   5.404
  263   1HD   ARG  33          2HD       ARG  33  22.833   4.097   4.097
  264   2HD   ARG  33          3HD       ARG  33  22.639   2.650   2.650
  265    HE   ARG  33           HE       ARG  33  25.133   3.675   3.675
  266   1HH1  ARG  33          2HH2      ARG  33  23.762   1.781   1.781
  267   2HH1  ARG  33          1HH2      ARG  33  25.220   0.890   0.890
  268   1HH2  ARG  33          2HH1      ARG  33  27.055   2.499   2.499
  269   2HH2  ARG  33          1HH1      ARG  33  27.105   1.301   1.301
  270    H    ASP  34           HN       ASP  34  21.218   7.359   7.359
  271    HA   ASP  34           HA       ASP  34  23.616   7.924   7.924
  272   1HB   ASP  34          2HB       ASP  34  21.245   9.154   9.154
  273   2HB   ASP  34          3HB       ASP  34  21.950  10.025  10.025
  274    H    SER  35           HN       SER  35  25.263   9.547   9.547
  275    HA   SER  35           HA       SER  35  26.033   8.784   8.784
  276   1HB   SER  35          2HB       SER  35  27.877   9.235   9.235
  277   2HB   SER  35          3HB       SER  35  27.097  10.568  10.568
  278    HG   SER  35           HG       SER  35  27.527  11.948  11.948
  279    H    GLU  36           HN       GLU  36  26.414  10.293  10.293
  280    HA   GLU  36           HA       GLU  36  24.420  12.422  12.422
  281   1HB   GLU  36          2HB       GLU  36  24.796  12.002  12.002
  282   2HB   GLU  36          3HB       GLU  36  23.588  11.151  11.151
  283   1HG   GLU  36          2HG       GLU  36  25.117   9.253   9.253
  284   2HG   GLU  36          3HG       GLU  36  26.431  10.118  10.118
  285    H    THR  37           HN       THR  37  27.768  11.668  11.668
  286    HA   THR  37           HA       THR  37  28.375  14.254  14.254
  287    HB   THR  37           HB       THR  37  30.694  13.120  13.120
  288    HG1  THR  37           HG1      THR  37  30.739  11.039  11.039
  289   1HG2  THR  37          1HG2      THR  37  28.189  12.422  12.422
  290   2HG2  THR  37          2HG2      THR  37  29.453  11.174  11.174
  291   3HG2  THR  37          3HG2      THR  37  29.793  12.833  12.833
  292    H    THR  38           HN       THR  38  29.475  12.074  12.074
  293    HA   THR  38           HA       THR  38  30.433  14.482  14.482
  294    HB   THR  38           HB       THR  38  30.976  11.486  11.486
  295    HG1  THR  38           HG1      THR  38  32.136  12.472  12.472
  296   1HG2  THR  38          2HG2      THR  38  31.325  13.652  13.652
  297   2HG2  THR  38          3HG2      THR  38  32.918  13.119  13.119
  298   3HG2  THR  38          1HG2      THR  38  31.807  11.946  11.946
  299    H    LYS  39           HN       LYS  39  27.985  14.964  14.964
  300    HA   LYS  39           HA       LYS  39  26.242  13.540  13.540
  301   1HB   LYS  39          2HB       LYS  39  25.329  15.785  15.785
  302   2HB   LYS  39          3HB       LYS  39  25.526  15.551  15.551
  303   1HG   LYS  39          2HG       LYS  39  27.094  17.204  17.204
  304   2HG   LYS  39          3HG       LYS  39  27.965  16.642  16.642
  305   1HD   LYS  39          2HD       LYS  39  26.784  18.013  18.013
  306   2HD   LYS  39          3HD       LYS  39  25.305  17.924  17.924
  307   1HE   LYS  39          2HE       LYS  39  25.815  19.806  19.806
  308   2HE   LYS  39          3HE       LYS  39  27.448  19.259  19.259
  309   1HZ   LYS  39          3HZ       LYS  39  26.561  20.435  20.435
  310   2HZ   LYS  39          1HZ       LYS  39  27.389  21.229  21.229
  311   3HZ   LYS  39          2HZ       LYS  39  28.088  19.987  19.987
  312    H    GLY  40           HN       GLY  40  25.608  13.534  13.534
  313   1HA   GLY  40          1HA       GLY  40  26.035  13.882  13.882
  314   2HA   GLY  40          2HA       GLY  40  27.678  14.369  14.369
  315    H    SER  41           HN       SER  41  27.744  11.903  11.903
  316    HA   SER  41           HA       SER  41  28.337  10.001  10.001
  317   1HB   SER  41          2HB       SER  41  29.627  10.554  10.554
  318   2HB   SER  41          3HB       SER  41  29.793   8.968   8.968
  319    HG   SER  41           HG       SER  41  31.317  11.041  11.041
  320    H    TYR  42           HN       TYR  42  27.758   7.739   7.739
  321    HA   TYR  42           HA       TYR  42  25.644   7.443   7.443
  322   1HB   TYR  42          2HB       TYR  42  26.198   6.475   6.475
  323   2HB   TYR  42          3HB       TYR  42  25.221   5.449   5.449
  324    HD1  TYR  42           HD1      TYR  42  25.417   9.047   9.047
  325    HD2  TYR  42           HD2      TYR  42  22.916   5.725   5.725
  326    HE1  TYR  42           HE1      TYR  42  23.354  10.414  10.414
  327    HE2  TYR  42           HE2      TYR  42  20.862   7.103   7.103
  328    HH   TYR  42           HH       TYR  42  20.814  10.280  10.280
  329    H    SER  43           HN       SER  43  25.408   5.276   5.276
  330    HA   SER  43           HA       SER  43  27.859   3.725   3.725
  331   1HB   SER  43          2HB       SER  43  26.476   4.365   4.365
  332   2HB   SER  43          3HB       SER  43  28.002   3.531   3.531
  333    HG   SER  43           HG       SER  43  28.302   5.869   5.869
  334    H    LEU  44           HN       LEU  44  27.394   1.575   1.575
  335    HA   LEU  44           HA       LEU  44  24.620   0.762   0.762
  336   1HB   LEU  44          2HB       LEU  44  25.309   0.401   0.401
  337   2HB   LEU  44          3HB       LEU  44  26.874  -0.223  -0.223
  338    HG   LEU  44           HG       LEU  44  25.537  -2.174  -2.174
  339   1HD1  LEU  44          1HD1      LEU  44  23.344  -0.811  -0.811
  340   2HD1  LEU  44          2HD1      LEU  44  23.465  -1.554  -1.554
  341   3HD1  LEU  44          3HD1      LEU  44  23.363  -2.583  -2.583
  342   1HD2  LEU  44          1HD2      LEU  44  26.944  -1.997  -1.997
  343   2HD2  LEU  44          2HD2      LEU  44  26.002  -3.452  -3.452
  344   3HD2  LEU  44          3HD2      LEU  44  25.348  -2.258  -2.258
  345    H    SER  45           HN       SER  45  24.112  -1.242  -1.242
  346    HA   SER  45           HA       SER  45  26.294  -2.282  -2.282
  347   1HB   SER  45          2HB       SER  45  23.724  -1.059  -1.059
  348   2HB   SER  45          3HB       SER  45  24.472  -2.361  -2.361
  349    HG   SER  45           HG       SER  45  26.489  -1.046  -1.046
  350    H    VAL  46           HN       VAL  46  26.318  -4.491  -4.491
  351    HA   VAL  46           HA       VAL  46  23.735  -5.803  -5.803
  352    HB   VAL  46           HB       VAL  46  26.383  -6.525  -6.525
  353   1HG1  VAL  46          2HG1      VAL  46  24.656  -8.349  -8.349
  354   2HG1  VAL  46          3HG1      VAL  46  23.611  -7.483  -7.483
  355   3HG1  VAL  46          1HG1      VAL  46  25.184  -8.122  -8.122
  356   1HG2  VAL  46          1HG2      VAL  46  25.348  -4.304  -4.304
  357   2HG2  VAL  46          2HG2      VAL  46  25.688  -5.504  -5.504
  358   3HG2  VAL  46          3HG2      VAL  46  24.023  -5.279  -5.279
  359    H    ARG  47           HN       ARG  47  23.580  -7.999  -7.999
  360    HA   ARG  47           HA       ARG  47  25.105  -8.225  -8.225
  361   1HB   ARG  47          2HB       ARG  47  22.623  -8.698  -8.698
  362   2HB   ARG  47          3HB       ARG  47  22.952 -10.073 -10.073
  363   1HG   ARG  47          2HG       ARG  47  23.684 -11.380 -11.380
  364   2HG   ARG  47          3HG       ARG  47  24.556 -10.063 -10.063
  365   1HD   ARG  47          2HD       ARG  47  22.518  -9.177  -9.177
  366   2HD   ARG  47          3HD       ARG  47  21.510 -10.255 -10.255
  367    HE   ARG  47           HE       ARG  47  23.360 -11.839 -11.839
  368   1HH1  ARG  47          2HH2      ARG  47  20.544  -9.787  -9.787
  369   2HH1  ARG  47          1HH2      ARG  47  20.036 -10.608 -10.608
  370   1HH2  ARG  47          2HH1      ARG  47  22.691 -12.923 -12.923
  371   2HH2  ARG  47          1HH1      ARG  47  21.266 -12.404 -12.404
  372    H    ASP  48           HN       ASP  48  26.732  -9.758  -9.758
  373    HA   ASP  48           HA       ASP  48  27.149 -11.769 -11.769
  374   1HB   ASP  48          2HB       ASP  48  28.671  -9.653  -9.653
  375   2HB   ASP  48          3HB       ASP  48  29.456 -10.215 -10.215
  376    H    TYR  49           HN       TYR  49  28.726 -13.523 -13.523
  377    HA   TYR  49           HA       TYR  49  28.763 -13.576 -13.576
  378   1HB   TYR  49          2HB       TYR  49  26.834 -14.885 -14.885
  379   2HB   TYR  49          3HB       TYR  49  28.073 -15.870 -15.870
  380    HD1  TYR  49           HD2      TYR  49  29.780 -17.013 -17.013
  381    HD2  TYR  49           HD1      TYR  49  25.893 -15.591 -15.591
  382    HE1  TYR  49           HE2      TYR  49  29.772 -18.553 -18.553
  383    HE2  TYR  49           HE1      TYR  49  25.897 -17.136 -17.136
  384    HH   TYR  49           HH       TYR  49  28.089 -18.213 -18.213
  385    H    ASP  50           HN       ASP  50  30.473 -14.841 -14.841
  386    HA   ASP  50           HA       ASP  50  32.471 -15.633 -15.633
  387   1HB   ASP  50          2HB       ASP  50  32.708 -13.518 -13.518
  388   2HB   ASP  50          3HB       ASP  50  33.449 -14.822 -14.822
  389    HA   PRO  51           HA       PRO  51  32.385 -19.344 -19.344
  390   1HB   PRO  51          2HB       PRO  51  34.680 -20.544 -20.544
  391   2HB   PRO  51          3HB       PRO  51  33.179 -20.577 -20.577
  392   1HG   PRO  51          2HG       PRO  51  35.613 -18.980 -18.980
  393   2HG   PRO  51          3HG       PRO  51  34.294 -19.351 -19.351
  394   1HD   PRO  51          2HD       PRO  51  34.751 -16.866 -16.866
  395   2HD   PRO  51          3HD       PRO  51  33.371 -17.276 -17.276
  396    H    ARG  52           HN       ARG  52  34.435 -16.861 -16.861
  397    HA   ARG  52           HA       ARG  52  35.726 -18.340 -18.340
  398   1HB   ARG  52          2HB       ARG  52  36.360 -15.832 -15.832
  399   2HB   ARG  52          3HB       ARG  52  36.895 -15.880 -15.880
  400   1HG   ARG  52          2HG       ARG  52  38.707 -17.030 -17.030
  401   2HG   ARG  52          3HG       ARG  52  37.635 -18.405 -18.405
  402   1HD   ARG  52          2HD       ARG  52  37.065 -17.183 -17.183
  403   2HD   ARG  52          3HD       ARG  52  38.667 -16.514 -16.514
  404    HE   ARG  52           HE       ARG  52  38.047 -19.242 -19.242
  405   1HH1  ARG  52          2HH2      ARG  52  40.331 -17.322 -17.322
  406   2HH1  ARG  52          1HH2      ARG  52  41.613 -18.480 -18.480
  407   1HH2  ARG  52          2HH1      ARG  52  39.737 -20.769 -20.769
  408   2HH2  ARG  52          1HH1      ARG  52  41.272 -20.453 -20.453
  409    H    GLN  53           HN       GLN  53  34.281 -15.035 -15.035
  410    HA   GLN  53           HA       GLN  53  33.746 -14.795 -14.795
  411   1HB   GLN  53          2HB       GLN  53  33.245 -13.038 -13.038
  412   2HB   GLN  53          3HB       GLN  53  32.584 -12.617 -12.617
  413   1HG   GLN  53          2HG       GLN  53  35.186 -13.180 -13.180
  414   2HG   GLN  53          3HG       GLN  53  35.423 -12.590 -12.590
  415   1HE2  GLN  53          2HE2      GLN  53  34.806 -10.059 -10.059
  416   2HE2  GLN  53          1HE2      GLN  53  35.180 -11.745 -11.745
  417    H    GLY  54           HN       GLY  54  31.716 -14.831 -14.831
  418   1HA   GLY  54          1HA       GLY  54  29.868 -16.534 -16.534
  419   2HA   GLY  54          2HA       GLY  54  29.437 -15.696 -15.696
  420    H    ASP  55           HN       ASP  55  27.716 -14.352 -14.352
  421    HA   ASP  55           HA       ASP  55  27.007 -13.482 -13.482
  422   1HB   ASP  55          2HB       ASP  55  25.957 -12.589 -12.589
  423   2HB   ASP  55          3HB       ASP  55  25.164 -12.296 -12.296
  424    H    THR  56           HN       THR  56  27.358 -11.412 -11.412
  425    HA   THR  56           HA       THR  56  28.220  -9.221  -9.221
  426    HB   THR  56           HB       THR  56  30.424  -9.039  -9.039
  427    HG1  THR  56           HG1      THR  56  30.847  -9.887  -9.887
  428   1HG2  THR  56          3HG2      THR  56  29.860 -12.051 -12.051
  429   2HG2  THR  56          1HG2      THR  56  31.476 -11.307 -11.307
  430   3HG2  THR  56          2HG2      THR  56  30.352 -11.101 -11.101
  431    H    VAL  57           HN       VAL  57  28.646  -7.217  -7.217
  432    HA   VAL  57           HA       VAL  57  26.851  -7.365  -7.365
  433    HB   VAL  57           HB       VAL  57  26.948  -5.150  -5.150
  434   1HG1  VAL  57          3HG1      VAL  57  25.165  -5.615  -5.615
  435   2HG1  VAL  57          1HG1      VAL  57  24.892  -4.364  -4.364
  436   3HG1  VAL  57          2HG1      VAL  57  26.355  -4.310  -4.310
  437   1HG2  VAL  57          1HG2      VAL  57  25.708  -7.662  -7.662
  438   2HG2  VAL  57          2HG2      VAL  57  25.417  -6.215  -6.215
  439   3HG2  VAL  57          3HG2      VAL  57  24.407  -6.529  -6.529
  440    H    LYS  58           HN       LYS  58  27.851  -6.716  -6.716
  441    HA   LYS  58           HA       LYS  58  30.397  -5.352  -5.352
  442   1HB   LYS  58          2HB       LYS  58  29.017  -6.843  -6.843
  443   2HB   LYS  58          3HB       LYS  58  30.377  -5.793  -5.793
  444   1HG   LYS  58          2HG       LYS  58  30.571  -7.859  -7.859
  445   2HG   LYS  58          3HG       LYS  58  30.811  -8.338  -8.338
  446   1HD   LYS  58          2HD       LYS  58  33.002  -7.799  -7.799
  447   2HD   LYS  58          3HD       LYS  58  32.473  -6.260  -6.260
  448   1HE   LYS  58          2HE       LYS  58  32.528  -5.224  -5.224
  449   2HE   LYS  58          3HE       LYS  58  31.841  -6.605  -6.605
  450   1HZ   LYS  58          3HZ       LYS  58  34.598  -6.615  -6.615
  451   2HZ   LYS  58          1HZ       LYS  58  34.213  -6.064  -6.064
  452   3HZ   LYS  58          2HZ       LYS  58  33.921  -7.622  -7.622
  453    H    HIS  59           HN       HIS  59  30.890  -3.345  -3.345
  454    HA   HIS  59           HA       HIS  59  28.528  -1.874  -1.874
  455   1HB   HIS  59          2HB       HIS  59  30.631  -0.459  -0.459
  456   2HB   HIS  59          3HB       HIS  59  28.942  -0.054  -0.054
  457    HD1  HIS  59           HD1      HIS  59  30.921  -0.842  -0.842
  458    HD2  HIS  59           HD2      HIS  59  27.435  -2.648  -2.648
  459    HE1  HIS  59           HE1      HIS  59  29.903  -2.134  -2.134
  460    H    TYR  60           HN       TYR  60  28.813  -0.881  -0.881
  461    HA   TYR  60           HA       TYR  60  31.596  -0.597  -0.597
  462   1HB   TYR  60          2HB       TYR  60  28.960  -1.183  -1.183
  463   2HB   TYR  60          3HB       TYR  60  30.520  -1.036  -1.036
  464    HD1  TYR  60           HD2      TYR  60  32.402  -2.666  -2.666
  465    HD2  TYR  60           HD1      TYR  60  28.176  -3.329  -3.329
  466    HE1  TYR  60           HE2      TYR  60  32.790  -5.157  -5.157
  467    HE2  TYR  60           HE1      TYR  60  28.578  -5.818  -5.818
  468    HH   TYR  60           HH       TYR  60  31.466  -7.065  -7.065
  469    H    LYS  61           HN       LYS  61  32.036   1.213   1.213
  470    HA   LYS  61           HA       LYS  61  30.243   3.443   3.443
  471   1HB   LYS  61          2HB       LYS  61  33.164   3.144   3.144
  472   2HB   LYS  61          3HB       LYS  61  32.401   4.620   4.620
  473   1HG   LYS  61          2HG       LYS  61  31.937   3.592   3.592
  474   2HG   LYS  61          3HG       LYS  61  33.347   4.558   4.558
  475   1HD   LYS  61          2HD       LYS  61  30.930   5.776   5.776
  476   2HD   LYS  61          3HD       LYS  61  30.738   5.502   5.502
  477   1HE   LYS  61          2HE       LYS  61  33.082   6.970   6.970
  478   2HE   LYS  61          3HE       LYS  61  31.745   7.736   7.736
  479   1HZ   LYS  61          2HZ       LYS  61  33.057   5.700   5.700
  480   2HZ   LYS  61          3HZ       LYS  61  34.011   6.978   6.978
  481   3HZ   LYS  61          1HZ       LYS  61  32.606   7.205   7.205
  482    H    ILE  62           HN       ILE  62  29.471   4.841   4.841
  483    HA   ILE  62           HA       ILE  62  29.686   3.664   3.664
  484    HB   ILE  62           HB       ILE  62  27.249   4.660   4.660
  485   1HG1  ILE  62          2HG1      ILE  62  27.436   2.113   2.113
  486   2HG1  ILE  62          3HG1      ILE  62  28.193   2.188   2.188
  487   1HG2  ILE  62          1HG2      ILE  62  27.870   4.874   4.874
  488   2HG2  ILE  62          2HG2      ILE  62  26.416   3.894   3.894
  489   3HG2  ILE  62          3HG2      ILE  62  26.518   5.555   5.555
  490   1HD1  ILE  62          3HD1      ILE  62  25.444   3.329   3.329
  491   2HD1  ILE  62          1HD1      ILE  62  25.547   1.580   1.580
  492   3HD1  ILE  62          2HD1      ILE  62  26.188   2.251   2.251
  493    H    ARG  63           HN       ARG  63  31.041   5.034   5.034
  494    HA   ARG  63           HA       ARG  63  30.844   7.833   7.833
  495   1HB   ARG  63          2HB       ARG  63  32.771   6.133   6.133
  496   2HB   ARG  63          3HB       ARG  63  32.801   7.879   7.879
  497   1HG   ARG  63          2HG       ARG  63  32.924   6.518   6.518
  498   2HG   ARG  63          3HG       ARG  63  34.372   6.765   6.765
  499   1HD   ARG  63          2HD       ARG  63  33.301   9.282   9.282
  500   2HD   ARG  63          3HD       ARG  63  32.656   8.782   8.782
  501    HE   ARG  63           HE       ARG  63  34.797   8.997   8.997
  502   1HH1  ARG  63          2HH2      ARG  63  35.084   8.468   8.468
  503   2HH1  ARG  63          1HH2      ARG  63  36.806   8.651   8.651
  504   1HH2  ARG  63          2HH1      ARG  63  37.069   9.239   9.239
  505   2HH2  ARG  63          1HH1      ARG  63  37.943   9.092   9.092
  506    H    THR  64           HN       THR  64  30.703   9.463   9.463
  507    HA   THR  64           HA       THR  64  28.859   8.471   8.471
  508    HB   THR  64           HB       THR  64  28.080  10.777  10.777
  509    HG1  THR  64           HG1      THR  64  29.424  12.396  12.396
  510   1HG2  THR  64          1HG2      THR  64  28.856  10.150  10.150
  511   2HG2  THR  64          2HG2      THR  64  27.627  11.330  11.330
  512   3HG2  THR  64          3HG2      THR  64  27.367   9.592   9.592
  513    H    LEU  65           HN       LEU  65  29.057   9.205   9.205
  514    HA   LEU  65           HA       LEU  65  31.817   9.107   9.107
  515   1HB   LEU  65          2HB       LEU  65  29.165   8.998   8.998
  516   2HB   LEU  65          3HB       LEU  65  30.638   9.257   9.257
  517    HG   LEU  65           HG       LEU  65  30.177   6.889   6.889
  518   1HD1  LEU  65          2HD1      LEU  65  29.065   7.415   7.415
  519   2HD1  LEU  65          3HD1      LEU  65  30.254   6.097   6.097
  520   3HD1  LEU  65          1HD1      LEU  65  28.912   5.962   5.962
  521   1HD2  LEU  65          3HD2      LEU  65  32.536   7.923   7.923
  522   2HD2  LEU  65          1HD2      LEU  65  32.305   6.357   6.357
  523   3HD2  LEU  65          2HD2      LEU  65  32.112   6.480   6.480
  524    H    ASP  66           HN       ASP  66  32.063  10.674  10.674
  525    HA   ASP  66           HA       ASP  66  32.008  13.281  13.281
  526   1HB   ASP  66          2HB       ASP  66  33.425  12.026  12.026
  527   2HB   ASP  66          3HB       ASP  66  33.310  13.772  13.772
  528    H    ASN  67           HN       ASN  67  29.706  11.610  11.610
  529    HA   ASN  67           HA       ASN  67  28.971  13.759  13.759
  530   1HB   ASN  67          2HB       ASN  67  29.305  11.681  11.681
  531   2HB   ASN  67          3HB       ASN  67  28.352  10.765  10.765
  532   1HD2  ASN  67          2HD2      ASN  67  25.206  11.601  11.601
  533   2HD2  ASN  67          1HD2      ASN  67  26.137  10.890  10.890
  534    H    GLY  68           HN       GLY  68  27.936  11.252  11.252
  535   1HA   GLY  68          1HA       GLY  68  26.410  12.379  12.379
  536   2HA   GLY  68          2HA       GLY  68  25.355  12.638  12.638
  537    H    GLY  69           HN       GLY  69  27.316   9.936   9.936
  538   1HA   GLY  69          1HA       GLY  69  24.916   8.241   8.241
  539   2HA   GLY  69          2HA       GLY  69  26.393   7.699   7.699
  540    H    PHE  70           HN       PHE  70  26.517   5.869   5.869
  541    HA   PHE  70           HA       PHE  70  27.931   6.537   6.537
  542   1HB   PHE  70          2HB       PHE  70  25.413   4.791   4.791
  543   2HB   PHE  70          3HB       PHE  70  26.319   5.427   5.427
  544    HD1  PHE  70           HD2      PHE  70  23.887   6.232   6.232
  545    HD2  PHE  70           HD1      PHE  70  25.997   7.701   7.701
  546    HE1  PHE  70           HE2      PHE  70  22.337   8.203   8.203
  547    HE2  PHE  70           HE1      PHE  70  24.448   9.673   9.673
  548   1HZ   PHE  70           HZ       PHE  70  22.636   9.900   9.900
  549    H    TYR  71           HN       TYR  71  29.560   5.073   5.073
  550    HA   TYR  71           HA       TYR  71  29.077   2.360   2.360
  551   1HB   TYR  71          2HB       TYR  71  31.262   2.499   2.499
  552   2HB   TYR  71          3HB       TYR  71  30.338   3.903   3.903
  553    HD1  TYR  71           HD2      TYR  71  30.832   6.146   6.146
  554    HD2  TYR  71           HD1      TYR  71  33.321   2.724   2.724
  555    HE1  TYR  71           HE2      TYR  71  32.720   7.656   7.656
  556    HE2  TYR  71           HE1      TYR  71  35.201   4.245   4.245
  557    HH   TYR  71           HH       TYR  71  34.865   7.116   7.116
  558    H    ILE  72           HN       ILE  72  30.250   0.708   0.708
  559    HA   ILE  72           HA       ILE  72  31.352   1.619   1.619
  560    HB   ILE  72           HB       ILE  72  30.046  -0.925  -0.925
  561   1HG1  ILE  72          2HG1      ILE  72  29.492   0.989   0.989
  562   2HG1  ILE  72          3HG1      ILE  72  28.599   0.898   0.898
  563   1HG2  ILE  72          1HG2      ILE  72  31.793  -0.517  -0.517
  564   2HG2  ILE  72          2HG2      ILE  72  30.569  -1.804  -1.804
  565   3HG2  ILE  72          3HG2      ILE  72  31.927  -1.761  -1.761
  566   1HD1  ILE  72          1HD1      ILE  72  28.613  -1.761  -1.761
  567   2HD1  ILE  72          2HD1      ILE  72  28.392  -0.796  -0.796
  568   3HD1  ILE  72          3HD1      ILE  72  27.256  -0.615  -0.615
  569    H    SER  73           HN       SER  73  31.961  -0.549  -0.549
  570    HA   SER  73           HA       SER  73  34.747  -0.579  -0.579
  571   1HB   SER  73          2HB       SER  73  33.285  -2.784  -2.784
  572   2HB   SER  73          3HB       SER  73  33.606  -2.587  -2.587
  573    HG   SER  73           HG       SER  73  35.179  -3.825  -3.825
  574    HA   PRO  74           HA       PRO  74  35.636   1.455   1.455
  575   1HB   PRO  74          2HB       PRO  74  38.293   0.889   0.889
  576   2HB   PRO  74          3HB       PRO  74  37.693   2.144   2.144
  577   1HG   PRO  74          2HG       PRO  74  38.749  -0.529  -0.529
  578   2HG   PRO  74          3HG       PRO  74  38.549   0.873   0.873
  579   1HD   PRO  74          2HD       PRO  74  36.871  -1.452  -1.452
  580   2HD   PRO  74          3HD       PRO  74  36.606  -0.001  -0.001
  581    H    ARG  75           HN       ARG  75  34.095  -0.556  -0.556
  582    HA   ARG  75           HA       ARG  75  35.526  -1.567  -1.567
  583   1HB   ARG  75          2HB       ARG  75  33.735  -3.236  -3.236
  584   2HB   ARG  75          3HB       ARG  75  34.376  -3.799  -3.799
  585   1HG   ARG  75          2HG       ARG  75  36.333  -2.690  -2.690
  586   2HG   ARG  75          3HG       ARG  75  35.640  -4.265  -4.265
  587   1HD   ARG  75          2HD       ARG  75  36.388  -4.244  -4.244
  588   2HD   ARG  75          3HD       ARG  75  37.737  -3.580  -3.580
  589    HE   ARG  75           HE       ARG  75  36.995  -6.324  -6.324
  590   1HH1  ARG  75          2HH2      ARG  75  37.895  -3.878  -3.878
  591   2HH1  ARG  75          1HH2      ARG  75  38.564  -5.020  -5.020
  592   1HH2  ARG  75          2HH1      ARG  75  37.877  -7.832  -7.832
  593   2HH2  ARG  75          1HH1      ARG  75  38.554  -7.284  -7.284
  594    H    SER  76           HN       SER  76  32.243  -1.901  -1.901
  595    HA   SER  76           HA       SER  76  31.153  -0.812  -0.812
  596   1HB   SER  76          2HB       SER  76  30.130  -3.057  -3.057
  597   2HB   SER  76          3HB       SER  76  29.070  -2.223  -2.223
  598    HG   SER  76           HG       SER  76  30.259  -2.971  -2.971
  599    H    THR  77           HN       THR  77  30.059   1.099   1.099
  600    HA   THR  77           HA       THR  77  29.220   1.749   1.749
  601    HB   THR  77           HB       THR  77  29.651   4.040   4.040
  602    HG1  THR  77           HG1      THR  77  29.977   2.998   2.998
  603   1HG2  THR  77          2HG2      THR  77  31.670   2.335   2.335
  604   2HG2  THR  77          3HG2      THR  77  31.897   4.045   4.045
  605   3HG2  THR  77          1HG2      THR  77  31.813   2.801   2.801
  606    H    PHE  78           HN       PHE  78  27.259   3.249   3.249
  607    HA   PHE  78           HA       PHE  78  25.342   2.577   2.577
  608   1HB   PHE  78          2HB       PHE  78  24.800   2.424   2.424
  609   2HB   PHE  78          3HB       PHE  78  23.744   1.858   1.858
  610    HD1  PHE  78           HD1      PHE  78  27.083   1.232   1.232
  611    HD2  PHE  78           HD2      PHE  78  23.823  -0.372  -0.372
  612    HE1  PHE  78           HE1      PHE  78  28.084  -1.062  -1.062
  613    HE2  PHE  78           HE2      PHE  78  24.824  -2.666  -2.666
  614   1HZ   PHE  78           HZ       PHE  78  26.943  -2.983  -2.983
  615    H    SER  79           HN       SER  79  23.984   4.264   4.264
  616    HA   SER  79           HA       SER  79  24.596   6.771   6.771
  617   1HB   SER  79          2HB       SER  79  22.289   5.836   5.836
  618   2HB   SER  79          3HB       SER  79  22.616   7.521   7.521
  619    HG   SER  79           HG       SER  79  23.587   6.916   6.916
  620    H    THR  80           HN       THR  80  22.449   4.209   4.209
  621    HA   THR  80           HA       THR  80  21.334   5.967   5.967
  622    HB   THR  80           HB       THR  80  19.094   4.715   4.715
  623    HG1  THR  80           HG1      THR  80  20.694   4.364   4.364
  624   1HG2  THR  80          3HG2      THR  80  20.301   6.669   6.669
  625   2HG2  THR  80          1HG2      THR  80  18.607   6.128   6.128
  626   3HG2  THR  80          2HG2      THR  80  19.182   7.047   7.047
  627    H    LEU  81           HN       LEU  81  20.739   4.904   4.904
  628    HA   LEU  81           HA       LEU  81  22.409   2.669   2.669
  629   1HB   LEU  81          2HB       LEU  81  20.536   4.407   4.407
  630   2HB   LEU  81          3HB       LEU  81  20.971   2.853   2.853
  631    HG   LEU  81           HG       LEU  81  23.040   4.866   4.866
  632   1HD1  LEU  81          3HD1      LEU  81  21.264   5.456   5.456
  633   2HD1  LEU  81          1HD1      LEU  81  22.501   4.594   4.594
  634   3HD1  LEU  81          2HD1      LEU  81  22.952   6.021   6.021
  635   1HD2  LEU  81          1HD2      LEU  81  23.088   2.235   2.235
  636   2HD2  LEU  81          2HD2      LEU  81  24.238   2.952   2.952
  637   3HD2  LEU  81          3HD2      LEU  81  24.240   3.477   3.477
  638    H    GLN  82           HN       GLN  82  19.171   3.103   3.103
  639    HA   GLN  82           HA       GLN  82  18.127   0.697   0.697
  640   1HB   GLN  82          2HB       GLN  82  16.901   2.797   2.797
  641   2HB   GLN  82          3HB       GLN  82  17.174   2.071   2.071
  642   1HG   GLN  82          2HG       GLN  82  15.377   0.731   0.731
  643   2HG   GLN  82          3HG       GLN  82  16.182  -0.022  -0.022
  644   1HE2  GLN  82          2HE2      GLN  82  13.058   1.155   1.155
  645   2HE2  GLN  82          1HE2      GLN  82  13.692  -0.079  -0.079
  646    H    GLU  83           HN       GLU  83  20.137   1.594   1.594
  647    HA   GLU  83           HA       GLU  83  19.627  -0.881  -0.881
  648   1HB   GLU  83          2HB       GLU  83  21.525   1.437   1.437
  649   2HB   GLU  83          3HB       GLU  83  21.501  -0.005  -0.005
  650   1HG   GLU  83          2HG       GLU  83  18.831   1.245   1.245
  651   2HG   GLU  83          3HG       GLU  83  19.929   2.194   2.194
  652    H    LEU  84           HN       LEU  84  21.793   0.380   0.380
  653    HA   LEU  84           HA       LEU  84  23.816  -1.619  -1.619
  654   1HB   LEU  84          2HB       LEU  84  24.531   0.555   0.555
  655   2HB   LEU  84          3HB       LEU  84  23.467   0.542   0.542
  656    HG   LEU  84           HG       LEU  84  25.685  -1.482  -1.482
  657   1HD1  LEU  84          2HD1      LEU  84  26.134   1.262   1.262
  658   2HD1  LEU  84          3HD1      LEU  84  26.330   0.723   0.723
  659   3HD1  LEU  84          1HD1      LEU  84  27.296  -0.029  -0.029
  660   1HD2  LEU  84          1HD2      LEU  84  23.717  -0.755  -0.755
  661   2HD2  LEU  84          2HD2      LEU  84  24.610  -2.273  -2.273
  662   3HD2  LEU  84          3HD2      LEU  84  25.384  -0.922  -0.922
  663    H    VAL  85           HN       VAL  85  20.895  -1.150  -1.150
  664    HA   VAL  85           HA       VAL  85  21.539  -3.225  -3.225
  665    HB   VAL  85           HB       VAL  85  19.120  -1.553  -1.553
  666   1HG1  VAL  85          2HG1      VAL  85  18.369  -3.864  -3.864
  667   2HG1  VAL  85          3HG1      VAL  85  19.235  -3.718  -3.718
  668   3HG1  VAL  85          1HG1      VAL  85  17.870  -2.634  -2.634
  669   1HG2  VAL  85          3HG2      VAL  85  21.217  -0.812  -0.812
  670   2HG2  VAL  85          1HG2      VAL  85  19.581  -0.428  -0.428
  671   3HG2  VAL  85          2HG2      VAL  85  20.477  -1.797  -1.797
  672    H    ASP  86           HN       ASP  86  19.483  -2.858  -2.858
  673    HA   ASP  86           HA       ASP  86  18.375  -5.373  -5.373
  674   1HB   ASP  86          2HB       ASP  86  19.048  -3.498  -3.498
  675   2HB   ASP  86          3HB       ASP  86  18.249  -5.031  -5.031
  676    H    HIS  87           HN       HIS  87  21.422  -4.094  -4.094
  677    HA   HIS  87           HA       HIS  87  22.126  -6.480  -6.480
  678   1HB   HIS  87          2HB       HIS  87  22.955  -4.055  -4.055
  679   2HB   HIS  87          3HB       HIS  87  24.077  -4.385  -4.385
  680    HD1  HIS  87           HD1      HIS  87  26.313  -5.007  -5.007
  681    HD2  HIS  87           HD2      HIS  87  23.207  -6.459  -6.459
  682    HE1  HIS  87           HE1      HIS  87  27.428  -6.272  -6.272
  683    H    TYR  88           HN       TYR  88  22.371  -5.328  -5.328
  684    HA   TYR  88           HA       TYR  88  24.355  -7.292  -7.292
  685   1HB   TYR  88          2HB       TYR  88  22.650  -5.094  -5.094
  686   2HB   TYR  88          3HB       TYR  88  23.288  -6.300  -6.300
  687    HD1  TYR  88           HD1      TYR  88  25.237  -5.393  -5.393
  688    HD2  TYR  88           HD2      TYR  88  24.589  -4.574  -4.574
  689    HE1  TYR  88           HE1      TYR  88  27.444  -4.135  -4.135
  690    HE2  TYR  88           HE2      TYR  88  26.798  -3.318  -3.318
  691    HH   TYR  88           HH       TYR  88  28.855  -3.081  -3.081
  692    H    LYS  89           HN       LYS  89  20.882  -7.127  -7.127
  693    HA   LYS  89           HA       LYS  89  20.389  -9.203  -9.203
  694   1HB   LYS  89          2HB       LYS  89  18.633  -7.726  -7.726
  695   2HB   LYS  89          3HB       LYS  89  18.043  -9.022  -9.022
  696   1HG   LYS  89          2HG       LYS  89  19.449  -7.380  -7.380
  697   2HG   LYS  89          3HG       LYS  89  18.696  -6.231  -6.231
  698   1HD   LYS  89          2HD       LYS  89  16.895  -8.442  -8.442
  699   2HD   LYS  89          3HD       LYS  89  17.443  -7.437  -7.437
  700   1HE   LYS  89          2HE       LYS  89  15.448  -6.379  -6.379
  701   2HE   LYS  89          3HE       LYS  89  16.755  -5.396  -5.396
  702   1HZ   LYS  89          1HZ       LYS  89  15.859  -7.588  -7.588
  703   2HZ   LYS  89          2HZ       LYS  89  14.849  -6.312  -6.312
  704   3HZ   LYS  89          3HZ       LYS  89  16.364  -6.096  -6.096
  705    H    LYS  90           HN       LYS  90  21.178  -8.878  -8.878
  706    HA   LYS  90           HA       LYS  90  20.278 -11.566 -11.566
  707   1HB   LYS  90          2HB       LYS  90  21.308  -9.240  -9.240
  708   2HB   LYS  90          3HB       LYS  90  21.524 -10.843 -10.843
  709   1HG   LYS  90          2HG       LYS  90  19.344 -10.917 -10.917
  710   2HG   LYS  90          3HG       LYS  90  18.838 -10.686 -10.686
  711   1HD   LYS  90          2HD       LYS  90  19.618  -8.124  -8.124
  712   2HD   LYS  90          3HD       LYS  90  19.073  -8.688  -8.688
  713   1HE   LYS  90          2HE       LYS  90  17.045  -9.617  -9.617
  714   2HE   LYS  90          3HE       LYS  90  17.497  -8.131  -8.131
  715   1HZ   LYS  90          1HZ       LYS  90  17.440  -7.357  -7.357
  716   2HZ   LYS  90          2HZ       LYS  90  16.267  -8.493  -8.493
  717   3HZ   LYS  90          3HZ       LYS  90  16.166  -7.235  -7.235
  718    H    GLY  91           HN       GLY  91  23.175  -9.822  -9.822
  719   1HA   GLY  91          1HA       GLY  91  24.561 -12.212 -12.212
  720   2HA   GLY  91          2HA       GLY  91  25.162 -11.548 -11.548
  721    H    ASN  92           HN       ASN  92  26.355 -11.767 -11.767
  722    HA   ASN  92           HA       ASN  92  26.441  -9.362  -9.362
  723   1HB   ASN  92          2HB       ASN  92  28.914 -10.157 -10.157
  724   2HB   ASN  92          3HB       ASN  92  27.553 -11.097 -11.097
  725   1HD2  ASN  92          2HD2      ASN  92  30.341 -12.915 -12.915
  726   2HD2  ASN  92          1HD2      ASN  92  30.468 -11.494 -11.494
  727    H    ASP  93           HN       ASP  93  28.504 -10.664 -10.664
  728    HA   ASP  93           HA       ASP  93  30.036  -9.728  -9.728
  729   1HB   ASP  93          2HB       ASP  93  27.669  -8.787  -8.787
  730   2HB   ASP  93          3HB       ASP  93  28.278  -7.259  -7.259
  731    H    GLY  94           HN       GLY  94  31.162  -9.412  -9.412
  732   1HA   GLY  94          1HA       GLY  94  32.979  -7.724  -7.724
  733   2HA   GLY  94          2HA       GLY  94  31.699  -6.529  -6.529
  734    H    LEU  95           HN       LEU  95  29.722  -7.933  -7.933
  735    HA   LEU  95           HA       LEU  95  30.764  -7.562  -7.562
  736   1HB   LEU  95          2HB       LEU  95  28.141  -8.706  -8.706
  737   2HB   LEU  95          3HB       LEU  95  28.512  -8.319  -8.319
  738    HG   LEU  95           HG       LEU  95  28.216  -6.407  -6.407
  739   1HD1  LEU  95          1HD1      LEU  95  26.631  -7.057  -7.057
  740   2HD1  LEU  95          2HD1      LEU  95  26.586  -5.404  -5.404
  741   3HD1  LEU  95          3HD1      LEU  95  26.090  -6.781  -6.781
  742   1HD2  LEU  95          2HD2      LEU  95  29.511  -5.979  -5.979
  743   2HD2  LEU  95          3HD2      LEU  95  30.011  -5.414  -5.414
  744   3HD2  LEU  95          1HD2      LEU  95  28.626  -4.654  -4.654
  745    H    CYS  96           HN       CYS  96  30.464  -9.302  -9.302
  746    HA   CYS  96           HA       CYS  96  32.008 -11.545 -11.545
  747   1HB   CYS  96          2HB       CYS  96  31.927 -12.184 -12.184
  748   2HB   CYS  96          3HB       CYS  96  32.474 -10.537 -10.537
  749    HG   CYS  96           HG       CYS  96  31.017  -9.849  -9.849
  750    H    GLN  97           HN       GLN  97  28.608 -10.735 -10.735
  751    HA   GLN  97           HA       GLN  97  27.895 -13.344 -13.344
  752   1HB   GLN  97          2HB       GLN  97  26.906 -12.291 -12.291
  753   2HB   GLN  97          3HB       GLN  97  26.215 -13.671 -13.671
  754   1HG   GLN  97          2HG       GLN  97  28.723 -14.551 -14.551
  755   2HG   GLN  97          3HG       GLN  97  28.961 -13.396 -13.396
  756   1HE2  GLN  97          1HE2      GLN  97  27.541 -13.508 -13.508
  757   2HE2  GLN  97          2HE2      GLN  97  26.936 -15.038 -15.038
  758    H    LYS  98           HN       LYS  98  26.046 -13.267 -13.267
  759    HA   LYS  98           HA       LYS  98  25.172 -10.820 -10.820
  760   1HB   LYS  98          2HB       LYS  98  23.700 -12.026 -12.026
  761   2HB   LYS  98          3HB       LYS  98  25.003 -13.159 -13.159
  762   1HG   LYS  98          2HG       LYS  98  23.350 -13.685 -13.685
  763   2HG   LYS  98          3HG       LYS  98  22.174 -13.239 -13.239
  764   1HD   LYS  98          2HD       LYS  98  23.283 -14.894 -14.894
  765   2HD   LYS  98          3HD       LYS  98  24.313 -15.404 -15.404
  766   1HE   LYS  98          2HE       LYS  98  21.902 -15.636 -15.636
  767   2HE   LYS  98          3HE       LYS  98  21.373 -15.874 -15.874
  768   1HZ   LYS  98          1HZ       LYS  98  23.612 -17.356 -17.356
  769   2HZ   LYS  98          2HZ       LYS  98  22.075 -17.908 -17.908
  770   3HZ   LYS  98          3HZ       LYS  98  22.864 -17.666 -17.666
  771    H    LEU  99           HN       LEU  99  22.869  -9.954  -9.954
  772    HA   LEU  99           HA       LEU  99  22.195  -9.691  -9.691
  773   1HB   LEU  99          2HB       LEU  99  21.257  -8.337  -8.337
  774   2HB   LEU  99          3HB       LEU  99  20.531  -8.031  -8.031
  775    HG   LEU  99           HG       LEU  99  23.328  -7.388  -7.388
  776   1HD1  LEU  99          3HD1      LEU  99  21.034  -5.747  -5.747
  777   2HD1  LEU  99          1HD1      LEU  99  22.681  -5.118  -5.118
  778   3HD1  LEU  99          2HD1      LEU  99  21.730  -5.701  -5.701
  779   1HD2  LEU  99          3HD2      LEU  99  22.352  -7.827  -7.827
  780   2HD2  LEU  99          1HD2      LEU  99  23.945  -8.150  -8.150
  781   3HD2  LEU  99          2HD2      LEU  99  23.479  -6.484  -6.484
  782    H    SER 100           HN       SER 100  20.235 -10.309 -10.309
  783    HA   SER 100           HA       SER 100  18.844 -12.342 -12.342
  784   1HB   SER 100          2HB       SER 100  18.096 -13.226 -13.226
  785   2HB   SER 100          3HB       SER 100  19.839 -13.046 -13.046
  786    HG   SER 100           HG       SER 100  18.492 -12.208 -12.208
  787    H    VAL 101           HN       VAL 101  17.799 -10.309 -10.309
  788    HA   VAL 101           HA       VAL 101  15.662  -9.235  -9.235
  789    HB   VAL 101           HB       VAL 101  14.112  -9.513  -9.513
  790   1HG1  VAL 101          2HG1      VAL 101  15.395 -12.088 -12.088
  791   2HG1  VAL 101          3HG1      VAL 101  13.779 -11.950 -11.950
  792   3HG1  VAL 101          1HG1      VAL 101  14.120 -11.162 -11.162
  793   1HG2  VAL 101          2HG2      VAL 101  16.501 -10.857 -10.857
  794   2HG2  VAL 101          3HG2      VAL 101  15.432  -9.600  -9.600
  795   3HG2  VAL 101          1HG2      VAL 101  14.839 -11.268 -11.268
  796    HA   PRO 102           HA       PRO 102  16.835  -5.491  -5.491
  797   1HB   PRO 102          2HB       PRO 102  14.569  -3.992  -3.992
  798   2HB   PRO 102          3HB       PRO 102  15.707  -4.276  -4.276
  799   1HG   PRO 102          2HG       PRO 102  13.040  -5.478  -5.478
  800   2HG   PRO 102          3HG       PRO 102  13.992  -5.413  -5.413
  801   1HD   PRO 102          2HD       PRO 102  13.645  -7.681  -7.681
  802   2HD   PRO 102          3HD       PRO 102  14.689  -7.581  -7.581
  803    H    CYS 103           HN       CYS 103  17.042  -4.377  -4.377
  804    HA   CYS 103           HA       CYS 103  16.282  -5.597  -5.597
  805   1HB   CYS 103          2HB       CYS 103  17.848  -3.709  -3.709
  806   2HB   CYS 103          3HB       CYS 103  16.534  -2.598  -2.598
  807    HG   CYS 103           HG       CYS 103  16.489  -4.695  -4.695
  808    H    MET 104           HN       MET 104  14.390  -5.847  -5.847
  809    HA   MET 104           HA       MET 104  11.978  -5.164  -5.164
  810   1HB   MET 104          2HB       MET 104  10.967  -6.222  -6.222
  811   2HB   MET 104          3HB       MET 104  12.338  -7.175  -7.175
  812   1HG   MET 104          2HG       MET 104  13.075  -7.015  -7.015
  813   2HG   MET 104          3HG       MET 104  13.553  -5.381  -5.381
  814   1HE   MET 104          1HE       MET 104  12.142  -7.357  -7.357
  815   2HE   MET 104          2HE       MET 104  12.907  -5.888  -5.888
  816   3HE   MET 104          3HE       MET 104  11.196  -6.230  -6.230
  817    H    SER 105           HN       SER 105  10.131  -4.172  -4.172
  818    HA   SER 105           HA       SER 105  11.276  -1.836  -1.836
  819   1HB   SER 105          2HB       SER 105   9.508  -0.404  -0.404
  820   2HB   SER 105          3HB       SER 105  10.611  -1.068  -1.068
  821    HG   SER 105           HG       SER 105   7.977  -2.093  -2.093
  822    H    SER 106           HN       SER 106  10.670  -2.160  -2.160
  823    HA   SER 106           HA       SER 106   7.849  -2.466  -2.466
  824   1HB   SER 106          2HB       SER 106   9.946  -4.489  -4.489
  825   2HB   SER 106          3HB       SER 106   8.529  -4.248  -4.248
  826    HG   SER 106           HG       SER 106   8.478  -5.945  -5.945
  827    H    LYS 107           HN       LYS 107   7.207  -1.429  -1.429
  828    HA   LYS 107           HA       LYS 107   9.283  -0.637  -0.637
  829   1HB   LYS 107          2HB       LYS 107   8.737   1.726   1.726
  830   2HB   LYS 107          3HB       LYS 107   9.306   1.161   1.161
  831   1HG   LYS 107          2HG       LYS 107   7.138   1.221   1.221
  832   2HG   LYS 107          3HG       LYS 107   6.332   1.158   1.158
  833   1HD   LYS 107          2HD       LYS 107   7.313   3.469   3.469
  834   2HD   LYS 107          3HD       LYS 107   7.883   3.521   3.521
  835   1HE   LYS 107          2HE       LYS 107   4.965   2.904   2.904
  836   2HE   LYS 107          3HE       LYS 107   5.521   4.564   4.564
  837   1HZ   LYS 107          3HZ       LYS 107   6.063   2.850   2.850
  838   2HZ   LYS 107          1HZ       LYS 107   4.734   3.794   3.794
  839   3HZ   LYS 107          2HZ       LYS 107   6.220   4.473   4.473

  Start of MODEL    9
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.469  -1.010  -1.010
    3   1HB   MET   1          2HB       MET   1   0.416   1.103   1.103
    4   2HB   MET   1          3HB       MET   1   1.712   0.797   0.797
    5   1HG   MET   1          2HG       MET   1   1.116  -1.666  -1.666
    6   2HG   MET   1          3HG       MET   1  -0.235  -1.290  -1.290
    7   1HE   MET   1          3HE       MET   1   1.637  -0.404  -0.404
    8   2HE   MET   1          1HE       MET   1   0.432  -0.255  -0.255
    9   3HE   MET   1          2HE       MET   1   0.786   1.139   1.139
   10    H    GLU   2           HN       GLU   2   1.942   2.512   2.512
   11    HA   GLU   2           HA       GLU   2   4.735   2.841   2.841
   12   1HB   GLU   2          2HB       GLU   2   3.585   3.388   3.388
   13   2HB   GLU   2          3HB       GLU   2   4.179   4.878   4.878
   14   1HG   GLU   2          2HG       GLU   2   5.962   2.472   2.472
   15   2HG   GLU   2          3HG       GLU   2   5.778   3.149   3.149
   16    H    THR   3           HN       THR   3   5.101   5.484   5.484
   17    HA   THR   3           HA       THR   3   2.726   6.678   6.678
   18    HB   THR   3           HB       THR   3   4.223   7.299   7.299
   19    HG1  THR   3           HG1      THR   3   5.741   5.170   5.170
   20   1HG2  THR   3          1HG2      THR   3   3.846   4.303   4.303
   21   2HG2  THR   3          2HG2      THR   3   4.167   5.041   5.041
   22   3HG2  THR   3          3HG2      THR   3   2.635   5.374   5.374
   23    H    GLU   4           HN       GLU   4   3.157   9.049   9.049
   24    HA   GLU   4           HA       GLU   4   4.067  10.245  10.245
   25   1HB   GLU   4          2HB       GLU   4   3.453  11.458  11.458
   26   2HB   GLU   4          3HB       GLU   4   3.689  12.390  12.390
   27   1HG   GLU   4          2HG       GLU   4   1.715  10.171  10.171
   28   2HG   GLU   4          3HG       GLU   4   1.249  11.428  11.428
   29    H    GLU   5           HN       GLU   5   6.212  10.137  10.137
   30    HA   GLU   5           HA       GLU   5   8.103  10.904  10.904
   31   1HB   GLU   5          2HB       GLU   5   8.103   8.654   8.654
   32   2HB   GLU   5          3HB       GLU   5   9.604   9.558   9.558
   33   1HG   GLU   5          2HG       GLU   5  10.023   9.142   9.142
   34   2HG   GLU   5          3HG       GLU   5   8.350   8.737   8.737
   35    H    TRP   6           HN       TRP   6   6.854  12.949  12.949
   36    HA   TRP   6           HA       TRP   6   8.392  13.636  13.636
   37   1HB   TRP   6          2HB       TRP   6   6.996  15.784  15.784
   38   2HB   TRP   6          3HB       TRP   6   6.213  14.301  14.301
   39    HD1  TRP   6           HD1      TRP   6   4.128  13.579  13.579
   40    HE1  TRP   6           HE1      TRP   6   2.958  14.298  14.298
   41    HE3  TRP   6           HE3      TRP   6   7.788  16.778  16.778
   42    HZ2  TRP   6           HZ2      TRP   6   3.679  16.084  16.084
   43    HZ3  TRP   6           HZ3      TRP   6   7.477  17.970  17.970
   44    HH2  TRP   6           HH2      TRP   6   5.509  17.665  17.665
   45    H    PHE   7           HN       PHE   7   8.678  13.797  13.797
   46    HA   PHE   7           HA       PHE   7  10.383  16.167  16.167
   47   1HB   PHE   7          2HB       PHE   7   8.757  16.286  16.286
   48   2HB   PHE   7          3HB       PHE   7   8.898  14.575  14.575
   49    HD1  PHE   7           HD1      PHE   7  10.696  17.806  17.806
   50    HD2  PHE   7           HD2      PHE   7  10.378  13.808  13.808
   51    HE1  PHE   7           HE1      PHE   7  12.306  18.322  18.322
   52    HE2  PHE   7           HE2      PHE   7  11.988  14.324  14.324
   53   1HZ   PHE   7           HZ       PHE   7  12.933  16.574  16.574
   54    H    PHE   8           HN       PHE   8  12.581  15.999  15.999
   55    HA   PHE   8           HA       PHE   8  13.630  13.337  13.337
   56   1HB   PHE   8          2HB       PHE   8  14.610  15.727  15.727
   57   2HB   PHE   8          3HB       PHE   8  15.648  14.361  14.361
   58    HD1  PHE   8           HD1      PHE   8  14.805  12.032  12.032
   59    HD2  PHE   8           HD2      PHE   8  13.219  15.679  15.679
   60    HE1  PHE   8           HE1      PHE   8  13.904  10.825  10.825
   61    HE2  PHE   8           HE2      PHE   8  12.317  14.471  14.471
   62   1HZ   PHE   8           HZ       PHE   8  12.670  12.059  12.059
   63    H    LYS   9           HN       LYS   9  15.825  13.314  13.314
   64    HA   LYS   9           HA       LYS   9  16.075  15.617  15.617
   65   1HB   LYS   9          2HB       LYS   9  16.664  14.130  14.130
   66   2HB   LYS   9          3HB       LYS   9  15.143  13.592  13.592
   67   1HG   LYS   9          2HG       LYS   9  17.474  12.367  12.367
   68   2HG   LYS   9          3HG       LYS   9  17.429  12.014  12.014
   69   1HD   LYS   9          2HD       LYS   9  15.768  10.506  10.506
   70   2HD   LYS   9          3HD       LYS   9  14.743  11.743  11.743
   71   1HE   LYS   9          2HE       LYS   9  15.460  11.278  11.278
   72   2HE   LYS   9          3HE       LYS   9  16.938  10.501  10.501
   73   1HZ   LYS   9          1HZ       LYS   9  14.973   9.028   9.028
   74   2HZ   LYS   9          2HZ       LYS   9  14.364   9.381   9.381
   75   3HZ   LYS   9          3HZ       LYS   9  15.809   8.632   8.632
   76    H    GLY  10           HN       GLY  10  18.200  16.320  16.320
   77   1HA   GLY  10          1HA       GLY  10  20.260  16.922  16.922
   78   2HA   GLY  10          2HA       GLY  10  20.594  15.230  15.230
   79    H    ILE  11           HN       ILE  11  19.057  17.314  17.314
   80    HA   ILE  11           HA       ILE  11  20.321  15.547  15.547
   81    HB   ILE  11           HB       ILE  11  17.661  16.132  16.132
   82   1HG1  ILE  11          2HG1      ILE  11  19.091  15.330  15.330
   83   2HG1  ILE  11          3HG1      ILE  11  18.686  14.249  14.249
   84   1HG2  ILE  11          3HG2      ILE  11  18.306  18.488  18.488
   85   2HG2  ILE  11          1HG2      ILE  11  18.486  17.721  17.721
   86   3HG2  ILE  11          2HG2      ILE  11  16.917  17.672  17.672
   87   1HD1  ILE  11          1HD1      ILE  11  16.254  15.535  15.535
   88   2HD1  ILE  11          2HD1      ILE  11  16.965  15.314  15.314
   89   3HD1  ILE  11          3HD1      ILE  11  16.713  13.907  13.907
   90    H    SER  12           HN       SER  12  21.122  16.624  16.624
   91    HA   SER  12           HA       SER  12  22.241  19.194  19.194
   92   1HB   SER  12          2HB       SER  12  24.088  18.686  18.686
   93   2HB   SER  12          3HB       SER  12  23.618  17.086  17.086
   94    HG   SER  12           HG       SER  12  23.862  16.875  16.875
   95    H    ARG  13           HN       ARG  13  22.461  20.863  20.863
   96    HA   ARG  13           HA       ARG  13  19.947  21.181  21.181
   97   1HB   ARG  13          2HB       ARG  13  21.577  23.013  23.013
   98   2HB   ARG  13          3HB       ARG  13  22.483  22.759  22.759
   99   1HG   ARG  13          2HG       ARG  13  19.543  23.138  23.138
  100   2HG   ARG  13          3HG       ARG  13  20.396  24.537  24.537
  101   1HD   ARG  13          2HD       ARG  13  21.614  23.070  23.070
  102   2HD   ARG  13          3HD       ARG  13  20.203  24.066  24.066
  103    HE   ARG  13           HE       ARG  13  22.046  25.572  25.572
  104   1HH1  ARG  13          2HH2      ARG  13  21.723  24.285  24.285
  105   2HH1  ARG  13          1HH2      ARG  13  22.715  25.509  25.509
  106   1HH2  ARG  13          2HH1      ARG  13  23.355  27.188  27.188
  107   2HH2  ARG  13          1HH1      ARG  13  23.649  27.171  27.171
  108    H    LYS  14           HN       LYS  14  23.160  20.036  20.036
  109    HA   LYS  14           HA       LYS  14  22.531  20.162  20.162
  110   1HB   LYS  14          2HB       LYS  14  24.804  18.900  18.900
  111   2HB   LYS  14          3HB       LYS  14  24.687  18.864  18.864
  112   1HG   LYS  14          2HG       LYS  14  24.261  21.542  21.542
  113   2HG   LYS  14          3HG       LYS  14  25.308  21.156  21.156
  114   1HD   LYS  14          2HD       LYS  14  27.010  21.475  21.475
  115   2HD   LYS  14          3HD       LYS  14  26.627  19.853  19.853
  116   1HE   LYS  14          2HE       LYS  14  26.479  20.962  20.962
  117   2HE   LYS  14          3HE       LYS  14  24.817  21.134  21.134
  118   1HZ   LYS  14          3HZ       LYS  14  26.538  23.178  23.178
  119   2HZ   LYS  14          1HZ       LYS  14  26.439  23.158  23.158
  120   3HZ   LYS  14          2HZ       LYS  14  25.083  23.307  23.307
  121    H    ASP  15           HN       ASP  15  22.032  17.926  17.926
  122    HA   ASP  15           HA       ASP  15  21.733  15.656  15.656
  123   1HB   ASP  15          2HB       ASP  15  21.206  16.367  16.367
  124   2HB   ASP  15          3HB       ASP  15  20.397  14.948  14.948
  125    H    ALA  16           HN       ALA  16  19.476  17.794  17.794
  126    HA   ALA  16           HA       ALA  16  17.102  16.648  16.648
  127   1HB   ALA  16          2HB       ALA  16  18.011  19.296  19.296
  128   2HB   ALA  16          3HB       ALA  16  16.378  19.221  19.221
  129   3HB   ALA  16          1HB       ALA  16  16.810  18.156  18.156
  130    H    GLU  17           HN       GLU  17  19.340  18.792  18.792
  131    HA   GLU  17           HA       GLU  17  17.405  19.418  19.418
  132   1HB   GLU  17          2HB       GLU  17  20.305  20.052  20.052
  133   2HB   GLU  17          3HB       GLU  17  19.700  20.228  20.228
  134   1HG   GLU  17          2HG       GLU  17  17.683  21.456  21.456
  135   2HG   GLU  17          3HG       GLU  17  19.076  21.832  21.832
  136    H    ARG  18           HN       ARG  18  19.752  16.892  16.892
  137    HA   ARG  18           HA       ARG  18  19.918  16.117  16.117
  138   1HB   ARG  18          2HB       ARG  18  21.327  15.534  15.534
  139   2HB   ARG  18          3HB       ARG  18  20.830  14.017  14.017
  140   1HG   ARG  18          2HG       ARG  18  21.758  15.409  15.409
  141   2HG   ARG  18          3HG       ARG  18  22.823  16.004  16.004
  142   1HD   ARG  18          2HD       ARG  18  22.674  13.216  13.216
  143   2HD   ARG  18          3HD       ARG  18  22.758  13.357  13.357
  144    HE   ARG  18           HE       ARG  18  24.896  13.919  13.919
  145   1HH1  ARG  18          2HH2      ARG  18  23.553  14.955  14.955
  146   2HH1  ARG  18          1HH2      ARG  18  25.060  15.567  15.567
  147   1HH2  ARG  18          2HH1      ARG  18  26.885  14.725  14.725
  148   2HH2  ARG  18          1HH1      ARG  18  26.968  15.435  15.435
  149    H    GLN  19           HN       GLN  19  17.959  15.437  15.437
  150    HA   GLN  19           HA       GLN  19  17.014  12.945  12.945
  151   1HB   GLN  19          2HB       GLN  19  16.077  14.579  14.579
  152   2HB   GLN  19          3HB       GLN  19  15.565  12.945  12.945
  153   1HG   GLN  19          2HG       GLN  19  18.169  12.423  12.423
  154   2HG   GLN  19          3HG       GLN  19  18.293  13.915  13.915
  155   1HE2  GLN  19          2HE2      GLN  19  17.120  12.663  12.663
  156   2HE2  GLN  19          1HE2      GLN  19  17.715  13.997  13.997
  157    H    LEU  20           HN       LEU  20  16.148  16.366  16.366
  158    HA   LEU  20           HA       LEU  20  13.424  15.878  15.878
  159   1HB   LEU  20          2HB       LEU  20  15.169  18.238  18.238
  160   2HB   LEU  20          3HB       LEU  20  13.784  18.460  18.460
  161    HG   LEU  20           HG       LEU  20  13.557  17.286  17.286
  162   1HD1  LEU  20          2HD1      LEU  20  14.503  19.761  19.761
  163   2HD1  LEU  20          3HD1      LEU  20  12.766  20.112  20.112
  164   3HD1  LEU  20          1HD1      LEU  20  13.383  19.328  19.328
  165   1HD2  LEU  20          2HD2      LEU  20  11.702  16.804  16.804
  166   2HD2  LEU  20          3HD2      LEU  20  11.203  17.862  17.862
  167   3HD2  LEU  20          1HD2      LEU  20  11.485  18.549  18.549
  168    H    LEU  21           HN       LEU  21  16.419  17.125  17.125
  169    HA   LEU  21           HA       LEU  21  15.185  17.150  17.150
  170   1HB   LEU  21          2HB       LEU  21  18.021  17.366  17.366
  171   2HB   LEU  21          3HB       LEU  21  17.641  17.327  17.327
  172    HG   LEU  21           HG       LEU  21  16.371  19.342  19.342
  173   1HD1  LEU  21          2HD1      LEU  21  19.153  19.177  19.177
  174   2HD1  LEU  21          3HD1      LEU  21  18.414  20.624  20.624
  175   3HD1  LEU  21          1HD1      LEU  21  18.316  20.363  20.363
  176   1HD2  LEU  21          3HD2      LEU  21  15.295  19.039  19.039
  177   2HD2  LEU  21          1HD2      LEU  21  16.077  20.635  20.635
  178   3HD2  LEU  21          2HD2      LEU  21  16.845  19.327  19.327
  179    H    ALA  22           HN       ALA  22  16.283  14.629  14.629
  180    HA   ALA  22           HA       ALA  22  17.441  12.839  12.839
  181   1HB   ALA  22          1HB       ALA  22  16.171  12.850  12.850
  182   2HB   ALA  22          2HB       ALA  22  15.778  11.357  11.357
  183   3HB   ALA  22          3HB       ALA  22  17.478  11.811  11.811
  184    HA   PRO  23           HA       PRO  23  14.272  11.542  11.542
  185   1HB   PRO  23          2HB       PRO  23  14.938   8.942   8.942
  186   2HB   PRO  23          3HB       PRO  23  15.724  10.305  10.305
  187   1HG   PRO  23          2HG       PRO  23  16.742   8.554   8.554
  188   2HG   PRO  23          3HG       PRO  23  17.638   9.622   9.622
  189   1HD   PRO  23          2HD       PRO  23  16.964  10.101  10.101
  190   2HD   PRO  23          3HD       PRO  23  17.757  11.217  11.217
  191    H    GLY  24           HN       GLY  24  14.731   9.775   9.775
  192   1HA   GLY  24          1HA       GLY  24  12.449   8.139   8.139
  193   2HA   GLY  24          2HA       GLY  24  13.295   8.637   8.637
  194    H    ASN  25           HN       ASN  25  12.837  11.597  11.597
  195    HA   ASN  25           HA       ASN  25  10.096  11.702  11.702
  196   1HB   ASN  25          2HB       ASN  25  12.512  13.490  13.490
  197   2HB   ASN  25          3HB       ASN  25  10.907  14.182  14.182
  198   1HD2  ASN  25          2HD2      ASN  25  12.524  11.965  11.965
  199   2HD2  ASN  25          1HD2      ASN  25  13.355  12.470  12.470
  200    H    MET  26           HN       MET  26   9.092  14.024  14.024
  201    HA   MET  26           HA       MET  26  10.108  14.949  14.949
  202   1HB   MET  26          2HB       MET  26   8.218  14.298  14.298
  203   2HB   MET  26          3HB       MET  26   8.651  12.849  12.849
  204   1HG   MET  26          2HG       MET  26   6.903  13.597  13.597
  205   2HG   MET  26          3HG       MET  26   6.356  14.766  14.766
  206   1HE   MET  26          1HE       MET  26   4.501  12.859  12.859
  207   2HE   MET  26          2HE       MET  26   4.032  11.413  11.413
  208   3HE   MET  26          3HE       MET  26   5.463  11.367  11.367
  209    H    LEU  27           HN       LEU  27   8.661  16.795  16.795
  210    HA   LEU  27           HA       LEU  27   8.371  18.761  18.761
  211   1HB   LEU  27          2HB       LEU  27   7.294  18.167  18.167
  212   2HB   LEU  27          3HB       LEU  27   6.322  19.304  19.304
  213    HG   LEU  27           HG       LEU  27   9.009  20.143  20.143
  214   1HD1  LEU  27          2HD1      LEU  27   8.918  18.608  18.608
  215   2HD1  LEU  27          3HD1      LEU  27   8.687  20.267  20.267
  216   3HD1  LEU  27          1HD1      LEU  27  10.116  19.869  19.869
  217   1HD2  LEU  27          3HD2      LEU  27   6.477  21.149  21.149
  218   2HD2  LEU  27          1HD2      LEU  27   7.623  21.913  21.913
  219   3HD2  LEU  27          2HD2      LEU  27   7.956  21.920  21.920
  220    H    GLY  28           HN       GLY  28   7.103  19.254  19.254
  221   1HA   GLY  28          1HA       GLY  28   4.837  19.397  19.397
  222   2HA   GLY  28          2HA       GLY  28   4.556  17.771  17.771
  223    H    SER  29           HN       SER  29   7.394  16.938  16.938
  224    HA   SER  29           HA       SER  29   6.692  15.937  15.937
  225   1HB   SER  29          2HB       SER  29   9.499  16.193  16.193
  226   2HB   SER  29          3HB       SER  29   8.984  15.057  15.057
  227    HG   SER  29           HG       SER  29   7.351  14.830  14.830
  228    H    PHE  30           HN       PHE  30   6.889  16.785  16.785
  229    HA   PHE  30           HA       PHE  30   8.597  19.159  19.159
  230   1HB   PHE  30          2HB       PHE  30   6.840  20.124  20.124
  231   2HB   PHE  30          3HB       PHE  30   5.984  19.397  19.397
  232    HD1  PHE  30           HD2      PHE  30   6.876  18.958  18.958
  233    HD2  PHE  30           HD1      PHE  30   4.460  17.601  17.601
  234    HE1  PHE  30           HE2      PHE  30   5.494  17.613  17.613
  235    HE2  PHE  30           HE1      PHE  30   3.078  16.257  16.257
  236   1HZ   PHE  30           HZ       PHE  30   3.611  16.279  16.279
  237    H    MET  31           HN       MET  31   9.539  19.495  19.495
  238    HA   MET  31           HA       MET  31   9.338  17.254  17.254
  239   1HB   MET  31          2HB       MET  31  11.892  17.082  17.082
  240   2HB   MET  31          3HB       MET  31  11.185  16.529  16.529
  241   1HG   MET  31          2HG       MET  31  12.082  18.269  18.269
  242   2HG   MET  31          3HG       MET  31  11.844  19.439  19.439
  243   1HE   MET  31          2HE       MET  31  13.768  16.249  16.249
  244   2HE   MET  31          3HE       MET  31  15.208  16.284  16.284
  245   3HE   MET  31          1HE       MET  31  13.604  15.963  15.963
  246    H    ILE  32           HN       ILE  32  10.054  17.758  17.758
  247    HA   ILE  32           HA       ILE  32  10.660  20.608  20.608
  248    HB   ILE  32           HB       ILE  32   8.804  18.848  18.848
  249   1HG1  ILE  32          2HG1      ILE  32   8.110  21.425  21.425
  250   2HG1  ILE  32          3HG1      ILE  32   8.063  19.890  19.890
  251   1HG2  ILE  32          1HG2      ILE  32  10.241  20.392  20.392
  252   2HG2  ILE  32          2HG2      ILE  32   9.473  21.751  21.751
  253   3HG2  ILE  32          3HG2      ILE  32   8.486  20.651  20.651
  254   1HD1  ILE  32          1HD1      ILE  32   6.717  19.259  19.259
  255   2HD1  ILE  32          2HD1      ILE  32   6.240  20.955  20.955
  256   3HD1  ILE  32          3HD1      ILE  32   5.934  19.745  19.745
  257    H    ARG  33           HN       ARG  33  12.477  21.033  21.033
  258    HA   ARG  33           HA       ARG  33  13.505  18.819  18.819
  259   1HB   ARG  33          2HB       ARG  33  15.805  19.400  19.400
  260   2HB   ARG  33          3HB       ARG  33  14.812  19.015  19.015
  261   1HG   ARG  33          2HG       ARG  33  14.437  21.795  21.795
  262   2HG   ARG  33          3HG       ARG  33  16.146  21.536  21.536
  263   1HD   ARG  33          2HD       ARG  33  16.085  20.115  20.115
  264   2HD   ARG  33          3HD       ARG  33  14.553  20.913  20.913
  265    HE   ARG  33           HE       ARG  33  17.202  22.128  22.128
  266   1HH1  ARG  33          2HH2      ARG  33  13.792  22.791  22.791
  267   2HH1  ARG  33          1HH2      ARG  33  13.906  24.452  24.452
  268   1HH2  ARG  33          2HH1      ARG  33  17.353  24.320  24.320
  269   2HH2  ARG  33          1HH1      ARG  33  15.945  25.328  25.328
  270    H    ASP  34           HN       ASP  34  14.595  19.439  19.439
  271    HA   ASP  34           HA       ASP  34  13.748  21.964  21.964
  272   1HB   ASP  34          2HB       ASP  34  14.875  21.221  21.221
  273   2HB   ASP  34          3HB       ASP  34  13.752  20.028  20.028
  274    H    SER  35           HN       SER  35  15.288  23.601  23.601
  275    HA   SER  35           HA       SER  35  17.354  24.180  24.180
  276   1HB   SER  35          2HB       SER  35  16.011  25.732  25.732
  277   2HB   SER  35          3HB       SER  35  17.144  25.250  25.250
  278    HG   SER  35           HG       SER  35  18.232  26.133  26.133
  279    H    GLU  36           HN       GLU  36  19.700  24.226  24.226
  280    HA   GLU  36           HA       GLU  36  20.482  22.062  22.062
  281   1HB   GLU  36          2HB       GLU  36  21.755  23.318  23.318
  282   2HB   GLU  36          3HB       GLU  36  22.689  22.297  22.297
  283   1HG   GLU  36          2HG       GLU  36  20.633  20.621  20.621
  284   2HG   GLU  36          3HG       GLU  36  20.322  21.557  21.557
  285    H    THR  37           HN       THR  37  21.339  25.448  25.448
  286    HA   THR  37           HA       THR  37  23.172  25.640  25.640
  287    HB   THR  37           HB       THR  37  23.582  27.907  27.907
  288    HG1  THR  37           HG1      THR  37  21.825  28.552  28.552
  289   1HG2  THR  37          1HG2      THR  37  23.684  25.376  25.376
  290   2HG2  THR  37          2HG2      THR  37  23.939  26.919  26.919
  291   3HG2  THR  37          3HG2      THR  37  25.013  26.453  26.453
  292    H    THR  38           HN       THR  38  20.360  27.631  27.631
  293    HA   THR  38           HA       THR  38  19.997  28.597  28.597
  294    HB   THR  38           HB       THR  38  18.527  29.057  29.057
  295    HG1  THR  38           HG1      THR  38  19.918  30.907  30.907
  296   1HG2  THR  38          3HG2      THR  38  18.340  30.432  30.432
  297   2HG2  THR  38          1HG2      THR  38  17.793  31.191  31.191
  298   3HG2  THR  38          2HG2      THR  38  17.006  29.706  29.706
  299    H    LYS  39           HN       LYS  39  19.749  26.253  26.253
  300    HA   LYS  39           HA       LYS  39  17.619  24.676  24.676
  301   1HB   LYS  39          2HB       LYS  39  19.014  25.153  25.153
  302   2HB   LYS  39          3HB       LYS  39  17.810  23.901  23.901
  303   1HG   LYS  39          2HG       LYS  39  19.420  23.436  23.436
  304   2HG   LYS  39          3HG       LYS  39  20.601  24.063  24.063
  305   1HD   LYS  39          2HD       LYS  39  19.090  22.296  22.296
  306   2HD   LYS  39          3HD       LYS  39  19.170  21.480  21.480
  307   1HE   LYS  39          2HE       LYS  39  21.413  21.053  21.053
  308   2HE   LYS  39          3HE       LYS  39  21.764  22.658  22.658
  309   1HZ   LYS  39          3HZ       LYS  39  20.432  20.644  20.644
  310   2HZ   LYS  39          1HZ       LYS  39  22.059  20.763  20.763
  311   3HZ   LYS  39          2HZ       LYS  39  21.174  22.015  22.015
  312    H    GLY  40           HN       GLY  40  15.508  24.334  24.334
  313   1HA   GLY  40          1HA       GLY  40  13.687  25.070  25.070
  314   2HA   GLY  40          2HA       GLY  40  14.409  26.660  26.660
  315    H    SER  41           HN       SER  41  15.108  26.385  26.385
  316    HA   SER  41           HA       SER  41  12.488  27.339  27.339
  317   1HB   SER  41          2HB       SER  41  15.210  27.799  27.799
  318   2HB   SER  41          3HB       SER  41  13.699  28.530  28.530
  319    HG   SER  41           HG       SER  41  14.496  30.093  30.093
  320    H    TYR  42           HN       TYR  42  11.860  26.832  26.832
  321    HA   TYR  42           HA       TYR  42  12.962  24.229  24.229
  322   1HB   TYR  42          2HB       TYR  42  10.145  25.357  25.357
  323   2HB   TYR  42          3HB       TYR  42  10.393  24.118  24.118
  324    HD1  TYR  42           HD2      TYR  42  11.151  21.832  21.832
  325    HD2  TYR  42           HD1      TYR  42  10.110  24.823  24.823
  326    HE1  TYR  42           HE2      TYR  42  10.931  20.042  20.042
  327    HE2  TYR  42           HE1      TYR  42   9.893  23.023  23.023
  328    HH   TYR  42           HH       TYR  42  11.194  20.202  20.202
  329    H    SER  43           HN       SER  43  12.730  23.750  23.750
  330    HA   SER  43           HA       SER  43  12.253  26.127  26.127
  331   1HB   SER  43          2HB       SER  43  14.679  24.319  24.319
  332   2HB   SER  43          3HB       SER  43  14.289  25.747  25.747
  333    HG   SER  43           HG       SER  43  14.313  26.777  26.777
  334    H    LEU  44           HN       LEU  44  11.058  25.671  25.671
  335    HA   LEU  44           HA       LEU  44  10.539  22.835  22.835
  336   1HB   LEU  44          2HB       LEU  44   8.564  24.004  24.004
  337   2HB   LEU  44          3HB       LEU  44   8.989  25.358  25.358
  338    HG   LEU  44           HG       LEU  44   8.691  23.934  23.934
  339   1HD1  LEU  44          2HD1      LEU  44   8.963  21.809  21.809
  340   2HD1  LEU  44          3HD1      LEU  44   7.226  21.797  21.797
  341   3HD1  LEU  44          1HD1      LEU  44   8.428  21.719  21.719
  342   1HD2  LEU  44          2HD2      LEU  44   6.478  24.463  24.463
  343   2HD2  LEU  44          3HD2      LEU  44   6.795  25.165  25.165
  344   3HD2  LEU  44          1HD2      LEU  44   6.120  23.524  23.524
  345    H    SER  45           HN       SER  45  10.589  21.990  21.990
  346    HA   SER  45           HA       SER  45  11.827  23.728  23.728
  347   1HB   SER  45          2HB       SER  45  12.985  20.961  20.961
  348   2HB   SER  45          3HB       SER  45  13.680  22.296  22.296
  349    HG   SER  45           HG       SER  45  13.408  22.037  22.037
  350    H    VAL  46           HN       VAL  46  10.800  23.454  23.454
  351    HA   VAL  46           HA       VAL  46   9.542  20.848  20.848
  352    HB   VAL  46           HB       VAL  46   8.328  23.533  23.533
  353   1HG1  VAL  46          1HG1      VAL  46   7.313  20.681  20.681
  354   2HG1  VAL  46          2HG1      VAL  46   6.261  22.112  22.112
  355   3HG1  VAL  46          3HG1      VAL  46   7.547  21.846  21.846
  356   1HG2  VAL  46          3HG2      VAL  46   8.419  22.157  22.157
  357   2HG2  VAL  46          1HG2      VAL  46   7.650  23.708  23.708
  358   3HG2  VAL  46          2HG2      VAL  46   6.747  22.186  22.186
  359    H    ARG  47           HN       ARG  47   9.312  20.307  20.307
  360    HA   ARG  47           HA       ARG  47  11.534  21.387  21.387
  361   1HB   ARG  47          2HB       ARG  47  10.995  18.902  18.902
  362   2HB   ARG  47          3HB       ARG  47   9.549  19.212  19.212
  363   1HG   ARG  47          2HG       ARG  47  10.757  19.750  19.750
  364   2HG   ARG  47          3HG       ARG  47  12.197  20.207  20.207
  365   1HD   ARG  47          2HD       ARG  47  12.999  18.052  18.052
  366   2HD   ARG  47          3HD       ARG  47  11.420  17.366  17.366
  367    HE   ARG  47           HE       ARG  47  11.563  18.380  18.380
  368   1HH1  ARG  47          2HH2      ARG  47  12.533  15.673  15.673
  369   2HH1  ARG  47          1HH2      ARG  47  12.608  14.549  14.549
  370   1HH2  ARG  47          2HH1      ARG  47  11.661  16.898  16.898
  371   2HH2  ARG  47          1HH1      ARG  47  12.109  15.250  15.250
  372    H    ASP  48           HN       ASP  48  11.394  22.532  22.532
  373    HA   ASP  48           HA       ASP  48   8.748  22.996  22.996
  374   1HB   ASP  48          2HB       ASP  48   9.155  24.836  24.836
  375   2HB   ASP  48          3HB       ASP  48  10.648  25.243  25.243
  376    H    TYR  49           HN       TYR  49   8.943  24.172  24.172
  377    HA   TYR  49           HA       TYR  49  11.623  23.850  23.850
  378   1HB   TYR  49          2HB       TYR  49   9.841  21.950  21.950
  379   2HB   TYR  49          3HB       TYR  49   8.921  23.146  23.146
  380    HD1  TYR  49           HD2      TYR  49   9.773  24.043  24.043
  381    HD2  TYR  49           HD1      TYR  49  11.828  20.936  20.936
  382    HE1  TYR  49           HE2      TYR  49  11.097  23.489  23.489
  383    HE2  TYR  49           HE1      TYR  49  13.145  20.391  20.391
  384    HH   TYR  49           HH       TYR  49  13.855  21.695  21.695
  385    H    ASP  50           HN       ASP  50  11.952  25.114  25.114
  386    HA   ASP  50           HA       ASP  50   9.988  27.221  27.221
  387   1HB   ASP  50          2HB       ASP  50  12.212  27.719  27.719
  388   2HB   ASP  50          3HB       ASP  50  12.905  27.960  27.960
  389    HA   PRO  51           HA       PRO  51  11.042  26.388  26.388
  390   1HB   PRO  51          2HB       PRO  51   9.934  28.554  28.554
  391   2HB   PRO  51          3HB       PRO  51   9.004  27.154  27.154
  392   1HG   PRO  51          2HG       PRO  51   9.126  29.833  29.833
  393   2HG   PRO  51          3HG       PRO  51   7.918  28.581  28.581
  394   1HD   PRO  51          2HD       PRO  51  10.008  29.268  29.268
  395   2HD   PRO  51          3HD       PRO  51   8.872  27.942  27.942
  396    H    ARG  52           HN       ARG  52  12.449  28.759  28.759
  397    HA   ARG  52           HA       ARG  52  14.085  29.574  29.574
  398   1HB   ARG  52          2HB       ARG  52  13.503  30.748  30.748
  399   2HB   ARG  52          3HB       ARG  52  14.996  31.191  31.191
  400   1HG   ARG  52          2HG       ARG  52  13.758  32.013  32.013
  401   2HG   ARG  52          3HG       ARG  52  12.243  31.436  31.436
  402   1HD   ARG  52          2HD       ARG  52  12.254  33.073  33.073
  403   2HD   ARG  52          3HD       ARG  52  13.956  33.427  33.427
  404    HE   ARG  52           HE       ARG  52  11.740  34.550  34.550
  405   1HH1  ARG  52          2HH2      ARG  52  15.159  33.727  33.727
  406   2HH1  ARG  52          1HH2      ARG  52  15.513  34.884  34.884
  407   1HH2  ARG  52          2HH1      ARG  52  12.208  36.076  36.076
  408   2HH2  ARG  52          1HH1      ARG  52  13.823  36.229  36.229
  409    H    GLN  53           HN       GLN  53  14.470  28.754  28.754
  410    HA   GLN  53           HA       GLN  53  17.187  28.038  28.038
  411   1HB   GLN  53          2HB       GLN  53  15.357  28.002  28.002
  412   2HB   GLN  53          3HB       GLN  53  16.969  27.320  27.320
  413   1HG   GLN  53          2HG       GLN  53  17.064  29.945  29.945
  414   2HG   GLN  53          3HG       GLN  53  16.235  30.062  30.062
  415   1HE2  GLN  53          1HE2      GLN  53  19.189  29.190  29.190
  416   2HE2  GLN  53          2HE2      GLN  53  20.247  29.189  29.189
  417    H    GLY  54           HN       GLY  54  14.240  26.267  26.267
  418   1HA   GLY  54          1HA       GLY  54  13.787  24.173  24.173
  419   2HA   GLY  54          2HA       GLY  54  15.475  23.775  23.775
  420    H    ASP  55           HN       ASP  55  15.621  22.161  22.161
  421    HA   ASP  55           HA       ASP  55  13.637  21.785  21.785
  422   1HB   ASP  55          2HB       ASP  55  16.418  20.656  20.656
  423   2HB   ASP  55          3HB       ASP  55  15.523  20.217  20.217
  424    H    THR  56           HN       THR  56  13.415  23.051  23.051
  425    HA   THR  56           HA       THR  56  15.879  23.921  23.921
  426    HB   THR  56           HB       THR  56  15.074  26.166  26.166
  427    HG1  THR  56           HG1      THR  56  12.890  26.302  26.302
  428   1HG2  THR  56          3HG2      THR  56  15.356  25.140  25.140
  429   2HG2  THR  56          1HG2      THR  56  13.655  25.662  25.662
  430   3HG2  THR  56          2HG2      THR  56  14.936  26.839  26.839
  431    H    VAL  57           HN       VAL  57  15.326  24.750  24.750
  432    HA   VAL  57           HA       VAL  57  13.099  23.198  23.198
  433    HB   VAL  57           HB       VAL  57  15.878  23.183  23.183
  434   1HG1  VAL  57          1HG1      VAL  57  14.001  22.819  22.819
  435   2HG1  VAL  57          2HG1      VAL  57  13.447  21.454  21.454
  436   3HG1  VAL  57          3HG1      VAL  57  15.024  21.374  21.374
  437   1HG2  VAL  57          1HG2      VAL  57  15.898  22.052  22.052
  438   2HG2  VAL  57          2HG2      VAL  57  16.132  20.907  20.907
  439   3HG2  VAL  57          3HG2      VAL  57  14.552  21.014  21.014
  440    H    LYS  58           HN       LYS  58  11.875  24.418  24.418
  441    HA   LYS  58           HA       LYS  58  12.970  27.011  27.011
  442   1HB   LYS  58          2HB       LYS  58  10.144  25.914  25.914
  443   2HB   LYS  58          3HB       LYS  58  10.571  27.503  27.503
  444   1HG   LYS  58          2HG       LYS  58  11.651  26.834  26.834
  445   2HG   LYS  58          3HG       LYS  58   9.907  26.977  26.977
  446   1HD   LYS  58          2HD       LYS  58  11.403  29.131  29.131
  447   2HD   LYS  58          3HD       LYS  58  11.635  29.107  29.107
  448   1HE   LYS  58          2HE       LYS  58   8.813  28.813  28.813
  449   2HE   LYS  58          3HE       LYS  58   9.556  30.393  30.393
  450   1HZ   LYS  58          1HZ       LYS  58  10.210  29.870  29.870
  451   2HZ   LYS  58          2HZ       LYS  58   8.880  28.925  28.925
  452   3HZ   LYS  58          3HZ       LYS  58   8.761  30.524  30.524
  453    H    HIS  59           HN       HIS  59  13.019  27.751  27.751
  454    HA   HIS  59           HA       HIS  59  12.461  25.711  25.711
  455   1HB   HIS  59          2HB       HIS  59  15.018  27.315  27.315
  456   2HB   HIS  59          3HB       HIS  59  14.569  25.948  25.948
  457    HD1  HIS  59           HD1      HIS  59  15.509  23.743  23.743
  458    HD2  HIS  59           HD2      HIS  59  15.310  26.478  26.478
  459    HE1  HIS  59           HE1      HIS  59  16.599  22.595  22.595
  460    H    TYR  60           HN       TYR  60  11.223  26.541  26.541
  461    HA   TYR  60           HA       TYR  60  11.183  29.472  29.472
  462   1HB   TYR  60          2HB       TYR  60   9.156  27.317  27.317
  463   2HB   TYR  60          3HB       TYR  60   8.851  29.042  29.042
  464    HD1  TYR  60           HD2      TYR  60   8.473  30.184  30.184
  465    HD2  TYR  60           HD1      TYR  60   9.145  25.963  25.963
  466    HE1  TYR  60           HE2      TYR  60   7.600  29.941  29.941
  467    HE2  TYR  60           HE1      TYR  60   8.270  25.734  25.734
  468    HH   TYR  60           HH       TYR  60   7.569  28.559  28.559
  469    H    LYS  61           HN       LYS  61  10.501  30.226  30.226
  470    HA   LYS  61           HA       LYS  61  11.978  28.588  28.588
  471   1HB   LYS  61          2HB       LYS  61  12.576  30.641  30.641
  472   2HB   LYS  61          3HB       LYS  61  13.065  30.727  30.727
  473   1HG   LYS  61          2HG       LYS  61  12.009  32.769  32.769
  474   2HG   LYS  61          3HG       LYS  61  10.581  31.808  31.808
  475   1HD   LYS  61          2HD       LYS  61  10.172  31.619  31.619
  476   2HD   LYS  61          3HD       LYS  61  11.569  32.637  32.637
  477   1HE   LYS  61          2HE       LYS  61   9.314  33.580  33.580
  478   2HE   LYS  61          3HE       LYS  61   9.197  33.756  33.756
  479   1HZ   LYS  61          2HZ       LYS  61  11.602  34.725  34.725
  480   2HZ   LYS  61          3HZ       LYS  61  10.944  35.103  35.103
  481   3HZ   LYS  61          1HZ       LYS  61  10.259  35.653  35.653
  482    H    ILE  62           HN       ILE  62  10.947  27.919  27.919
  483    HA   ILE  62           HA       ILE  62   8.159  28.801  28.801
  484    HB   ILE  62           HB       ILE  62   9.544  26.221  26.221
  485   1HG1  ILE  62          2HG1      ILE  62   7.036  26.488  26.488
  486   2HG1  ILE  62          3HG1      ILE  62   8.576  26.870  26.870
  487   1HG2  ILE  62          1HG2      ILE  62   7.031  27.397  27.397
  488   2HG2  ILE  62          2HG2      ILE  62   7.021  25.669  25.669
  489   3HG2  ILE  62          3HG2      ILE  62   8.204  26.290  26.290
  490   1HD1  ILE  62          2HD1      ILE  62   8.482  24.331  24.331
  491   2HD1  ILE  62          3HD1      ILE  62   7.561  24.355  24.355
  492   3HD1  ILE  62          1HD1      ILE  62   9.310  24.682  24.682
  493    H    ARG  63           HN       ARG  63   8.074  30.480  30.480
  494    HA   ARG  63           HA       ARG  63   9.838  30.335  30.335
  495   1HB   ARG  63          2HB       ARG  63   8.141  32.583  32.583
  496   2HB   ARG  63          3HB       ARG  63   8.961  32.747  32.747
  497   1HG   ARG  63          2HG       ARG  63  10.652  31.742  31.742
  498   2HG   ARG  63          3HG       ARG  63  10.096  33.397  33.397
  499   1HD   ARG  63          2HD       ARG  63  11.430  34.145  34.145
  500   2HD   ARG  63          3HD       ARG  63  11.101  32.744  32.744
  501    HE   ARG  63           HE       ARG  63  12.749  32.016  32.016
  502   1HH1  ARG  63          2HH2      ARG  63  12.870  33.562  33.562
  503   2HH1  ARG  63          1HH2      ARG  63  14.543  33.194  33.194
  504   1HH2  ARG  63          2HH1      ARG  63  14.956  31.531  31.531
  505   2HH2  ARG  63          1HH1      ARG  63  15.738  32.032  32.032
  506    H    THR  64           HN       THR  64   8.978  30.642  30.642
  507    HA   THR  64           HA       THR  64   6.190  29.738  29.738
  508    HB   THR  64           HB       THR  64   6.928  28.915  28.915
  509    HG1  THR  64           HG1      THR  64   9.329  29.253  29.253
  510   1HG2  THR  64          1HG2      THR  64   7.453  27.443  27.443
  511   2HG2  THR  64          2HG2      THR  64   9.034  28.250  28.250
  512   3HG2  THR  64          3HG2      THR  64   8.644  27.278  27.278
  513    H    LEU  65           HN       LEU  65   4.792  30.653  30.653
  514    HA   LEU  65           HA       LEU  65   5.297  33.508  33.508
  515   1HB   LEU  65          2HB       LEU  65   2.831  31.829  31.829
  516   2HB   LEU  65          3HB       LEU  65   2.909  33.564  33.564
  517    HG   LEU  65           HG       LEU  65   3.672  32.412  32.412
  518   1HD1  LEU  65          1HD1      LEU  65   0.970  32.359  32.359
  519   2HD1  LEU  65          2HD1      LEU  65   1.076  32.990  32.990
  520   3HD1  LEU  65          3HD1      LEU  65   1.678  31.357  31.357
  521   1HD2  LEU  65          3HD2      LEU  65   3.999  34.834  34.834
  522   2HD2  LEU  65          1HD2      LEU  65   2.999  34.531  34.531
  523   3HD2  LEU  65          2HD2      LEU  65   2.228  34.980  34.980
  524    H    ASP  66           HN       ASP  66   5.213  34.643  34.643
  525    HA   ASP  66           HA       ASP  66   6.629  33.546  33.546
  526   1HB   ASP  66          2HB       ASP  66   5.102  35.940  35.940
  527   2HB   ASP  66          3HB       ASP  66   4.679  35.363  35.363
  528    H    ASN  67           HN       ASN  67   3.049  33.616  33.616
  529    HA   ASN  67           HA       ASN  67   2.856  31.525  31.525
  530   1HB   ASN  67          2HB       ASN  67   0.708  32.582  32.582
  531   2HB   ASN  67          3HB       ASN  67   2.130  33.545  33.545
  532   1HD2  ASN  67          2HD2      ASN  67  -0.932  35.178  35.178
  533   2HD2  ASN  67          1HD2      ASN  67  -0.938  33.765  33.765
  534    H    GLY  68           HN       GLY  68   2.932  30.683  30.683
  535   1HA   GLY  68          1HA       GLY  68   0.151  30.143  30.143
  536   2HA   GLY  68          2HA       GLY  68   1.157  30.924  30.924
  537    H    GLY  69           HN       GLY  69   1.874  29.468  29.468
  538   1HA   GLY  69          1HA       GLY  69   3.043  26.959  26.959
  539   2HA   GLY  69          2HA       GLY  69   1.820  26.911  26.911
  540    H    PHE  70           HN       PHE  70   2.487  27.024  27.024
  541    HA   PHE  70           HA       PHE  70   5.060  28.327  28.327
  542   1HB   PHE  70          2HB       PHE  70   4.007  25.720  25.720
  543   2HB   PHE  70          3HB       PHE  70   5.601  26.405  26.405
  544    HD1  PHE  70           HD2      PHE  70   3.408  25.053  25.053
  545    HD2  PHE  70           HD1      PHE  70   7.374  25.696  25.696
  546    HE1  PHE  70           HE2      PHE  70   4.288  23.693  23.693
  547    HE2  PHE  70           HE1      PHE  70   8.254  24.337  24.337
  548   1HZ   PHE  70           HZ       PHE  70   6.701  23.351  23.351
  549    H    TYR  71           HN       TYR  71   5.046  29.705  29.705
  550    HA   TYR  71           HA       TYR  71   2.851  29.398  29.398
  551   1HB   TYR  71          2HB       TYR  71   2.338  31.750  31.750
  552   2HB   TYR  71          3HB       TYR  71   2.577  31.180  31.180
  553    HD1  TYR  71           HD2      TYR  71   4.584  31.807  31.807
  554    HD2  TYR  71           HD1      TYR  71   3.948  33.247  33.247
  555    HE1  TYR  71           HE2      TYR  71   6.375  33.578  33.578
  556    HE2  TYR  71           HE1      TYR  71   5.741  35.013  35.013
  557    HH   TYR  71           HH       TYR  71   6.656  36.189  36.189
  558    H    ILE  72           HN       ILE  72   3.299  30.246  30.246
  559    HA   ILE  72           HA       ILE  72   6.154  30.809  30.809
  560    HB   ILE  72           HB       ILE  72   4.267  29.173  29.173
  561   1HG1  ILE  72          2HG1      ILE  72   6.826  28.359  28.359
  562   2HG1  ILE  72          3HG1      ILE  72   5.219  28.083  28.083
  563   1HG2  ILE  72          3HG2      ILE  72   6.171  30.804  30.804
  564   2HG2  ILE  72          1HG2      ILE  72   7.129  29.333  29.333
  565   3HG2  ILE  72          2HG2      ILE  72   5.678  29.256  29.256
  566   1HD1  ILE  72          2HD1      ILE  72   4.850  27.042  27.042
  567   2HD1  ILE  72          3HD1      ILE  72   6.599  26.761  26.761
  568   3HD1  ILE  72          1HD1      ILE  72   5.463  26.079  26.079
  569    H    SER  73           HN       SER  73   2.777  31.256  31.256
  570    HA   SER  73           HA       SER  73   3.728  33.620  33.620
  571   1HB   SER  73          2HB       SER  73   2.401  32.528  32.528
  572   2HB   SER  73          3HB       SER  73   1.423  31.749  31.749
  573    HG   SER  73           HG       SER  73   1.263  34.568  34.568
  574    HA   PRO  74           HA       PRO  74   1.936  36.098  36.098
  575   1HB   PRO  74          2HB       PRO  74   2.043  38.533  38.533
  576   2HB   PRO  74          3HB       PRO  74   3.414  37.813  37.813
  577   1HG   PRO  74          2HG       PRO  74   2.906  38.051  38.051
  578   2HG   PRO  74          3HG       PRO  74   4.418  37.735  37.735
  579   1HD   PRO  74          2HD       PRO  74   2.786  35.823  35.823
  580   2HD   PRO  74          3HD       PRO  74   4.237  35.489  35.489
  581    H    ARG  75           HN       ARG  75   0.030  34.569  34.569
  582    HA   ARG  75           HA       ARG  75  -2.064  36.542  36.542
  583   1HB   ARG  75          2HB       ARG  75  -1.821  33.989  33.989
  584   2HB   ARG  75          3HB       ARG  75  -3.181  35.094  35.094
  585   1HG   ARG  75          2HG       ARG  75  -0.437  36.254  36.254
  586   2HG   ARG  75          3HG       ARG  75  -1.121  35.279  35.279
  587   1HD   ARG  75          2HD       ARG  75  -3.282  36.885  36.885
  588   2HD   ARG  75          3HD       ARG  75  -1.940  37.972  37.972
  589    HE   ARG  75           HE       ARG  75  -1.310  36.875  36.875
  590   1HH1  ARG  75          2HH2      ARG  75  -4.161  38.492  38.492
  591   2HH1  ARG  75          1HH2      ARG  75  -4.638  39.141  39.141
  592   1HH2  ARG  75          2HH1      ARG  75  -1.939  37.732  37.732
  593   2HH2  ARG  75          1HH1      ARG  75  -3.366  38.706  38.706
  594    H    SER  76           HN       SER  76  -1.403  32.966  32.966
  595    HA   SER  76           HA       SER  76  -3.224  32.953  32.953
  596   1HB   SER  76          2HB       SER  76  -3.219  30.839  30.839
  597   2HB   SER  76          3HB       SER  76  -4.245  30.845  30.845
  598    HG   SER  76           HG       SER  76  -5.557  31.761  31.761
  599    H    THR  77           HN       THR  77  -2.535  31.621  31.621
  600    HA   THR  77           HA       THR  77  -0.030  30.150  30.150
  601    HB   THR  77           HB       THR  77   0.712  30.893  30.893
  602    HG1  THR  77           HG1      THR  77  -2.103  31.695  31.695
  603   1HG2  THR  77          3HG2      THR  77   0.515  32.827  32.827
  604   2HG2  THR  77          1HG2      THR  77  -1.044  33.220  33.220
  605   3HG2  THR  77          2HG2      THR  77   0.459  33.314  33.314
  606    H    PHE  78           HN       PHE  78   0.343  28.352  28.352
  607    HA   PHE  78           HA       PHE  78  -2.214  27.086  27.086
  608   1HB   PHE  78          2HB       PHE  78   0.253  25.646  25.646
  609   2HB   PHE  78          3HB       PHE  78  -1.376  25.010  25.010
  610    HD1  PHE  78           HD1      PHE  78   0.532  27.741  27.741
  611    HD2  PHE  78           HD2      PHE  78  -2.718  25.021  25.021
  612    HE1  PHE  78           HE1      PHE  78   0.089  28.451  28.451
  613    HE2  PHE  78           HE2      PHE  78  -3.161  25.731  25.731
  614   1HZ   PHE  78           HZ       PHE  78  -1.752  27.437  27.437
  615    H    SER  79           HN       SER  79  -2.058  25.441  25.441
  616    HA   SER  79           HA       SER  79  -0.084  26.238  26.238
  617   1HB   SER  79          2HB       SER  79  -2.195  24.060  24.060
  618   2HB   SER  79          3HB       SER  79  -1.359  24.895  24.895
  619    HG   SER  79           HG       SER  79  -3.487  25.768  25.768
  620    H    THR  80           HN       THR  80  -0.781  23.525  23.525
  621    HA   THR  80           HA       THR  80   1.721  22.265  22.265
  622    HB   THR  80           HB       THR  80   0.592  20.065  20.065
  623    HG1  THR  80           HG1      THR  80  -1.299  20.167  20.167
  624   1HG2  THR  80          3HG2      THR  80  -0.564  22.118  22.118
  625   2HG2  THR  80          1HG2      THR  80  -1.508  20.628  20.628
  626   3HG2  THR  80          2HG2      THR  80   0.161  20.535  20.535
  627    H    LEU  81           HN       LEU  81   2.813  20.973  20.973
  628    HA   LEU  81           HA       LEU  81   2.719  22.369  22.369
  629   1HB   LEU  81          2HB       LEU  81   4.381  20.087  20.087
  630   2HB   LEU  81          3HB       LEU  81   4.551  20.716  20.716
  631    HG   LEU  81           HG       LEU  81   4.748  22.610  22.610
  632   1HD1  LEU  81          3HD1      LEU  81   6.365  20.310  20.310
  633   2HD1  LEU  81          1HD1      LEU  81   7.363  21.667  21.667
  634   3HD1  LEU  81          2HD1      LEU  81   6.601  21.742  21.742
  635   1HD2  LEU  81          3HD2      LEU  81   4.772  23.126  23.126
  636   2HD2  LEU  81          1HD2      LEU  81   5.823  24.008  24.008
  637   3HD2  LEU  81          2HD2      LEU  81   6.486  22.675  22.675
  638    H    GLN  82           HN       GLN  82   1.271  19.493  19.493
  639    HA   GLN  82           HA       GLN  82   0.922  18.122  18.122
  640   1HB   GLN  82          2HB       GLN  82   0.798  17.085  17.085
  641   2HB   GLN  82          3HB       GLN  82  -0.703  17.939  17.939
  642   1HG   GLN  82          2HG       GLN  82  -1.864  16.311  16.311
  643   2HG   GLN  82          3HG       GLN  82  -0.969  16.613  16.613
  644   1HE2  GLN  82          2HE2      GLN  82   0.325  13.405  13.405
  645   2HE2  GLN  82          1HE2      GLN  82  -0.548  14.644  14.644
  646    H    GLU  83           HN       GLU  83  -0.855  20.697  20.697
  647    HA   GLU  83           HA       GLU  83  -3.140  20.388  20.388
  648   1HB   GLU  83          2HB       GLU  83  -2.380  22.483  22.483
  649   2HB   GLU  83          3HB       GLU  83  -3.899  22.499  22.499
  650   1HG   GLU  83          2HG       GLU  83  -3.015  20.006  20.006
  651   2HG   GLU  83          3HG       GLU  83  -3.791  21.323  21.323
  652    H    LEU  84           HN       LEU  84  -0.089  22.122  22.122
  653    HA   LEU  84           HA       LEU  84  -0.979  24.152  24.152
  654   1HB   LEU  84          2HB       LEU  84   0.701  24.739  24.739
  655   2HB   LEU  84          3HB       LEU  84   1.690  23.354  23.354
  656    HG   LEU  84           HG       LEU  84   1.087  25.440  25.440
  657   1HD1  LEU  84          2HD1      LEU  84   2.202  26.158  26.158
  658   2HD1  LEU  84          3HD1      LEU  84   3.623  25.857  25.857
  659   3HD1  LEU  84          1HD1      LEU  84   2.383  27.027  27.027
  660   1HD2  LEU  84          3HD2      LEU  84   2.550  23.049  23.049
  661   2HD2  LEU  84          1HD2      LEU  84   2.528  24.291  24.291
  662   3HD2  LEU  84          2HD2      LEU  84   3.764  24.351  24.351
  663    H    VAL  85           HN       VAL  85   0.403  20.894  20.894
  664    HA   VAL  85           HA       VAL  85   1.176  21.145  21.145
  665    HB   VAL  85           HB       VAL  85   1.133  18.987  18.987
  666   1HG1  VAL  85          3HG1      VAL  85   1.214  18.608  18.608
  667   2HG1  VAL  85          1HG1      VAL  85   2.214  17.565  17.565
  668   3HG1  VAL  85          2HG1      VAL  85   0.448  17.608  17.608
  669   1HG2  VAL  85          2HG2      VAL  85   3.083  20.760  20.760
  670   2HG2  VAL  85          3HG2      VAL  85   3.223  19.743  19.743
  671   3HG2  VAL  85          1HG2      VAL  85   3.575  19.056  19.056
  672    H    ASP  86           HN       ASP  86  -1.670  20.182  20.182
  673    HA   ASP  86           HA       ASP  86  -2.892  18.733  18.733
  674   1HB   ASP  86          2HB       ASP  86  -3.760  20.035  20.035
  675   2HB   ASP  86          3HB       ASP  86  -5.018  19.571  19.571
  676    H    HIS  87           HN       HIS  87  -2.786  22.176  22.176
  677    HA   HIS  87           HA       HIS  87  -4.906  23.002  23.002
  678   1HB   HIS  87          2HB       HIS  87  -3.909  24.108  24.108
  679   2HB   HIS  87          3HB       HIS  87  -2.723  24.799  24.799
  680    HD1  HIS  87           HD1      HIS  87  -5.898  25.559  25.559
  681    HD2  HIS  87           HD2      HIS  87  -4.172  26.217  26.217
  682    HE1  HIS  87           HE1      HIS  87  -7.237  27.443  27.443
  683    H    TYR  88           HN       TYR  88  -1.401  22.521  22.521
  684    HA   TYR  88           HA       TYR  88  -1.253  23.981  23.981
  685   1HB   TYR  88          2HB       TYR  88   0.463  22.089  22.089
  686   2HB   TYR  88          3HB       TYR  88   1.024  22.562  22.562
  687    HD1  TYR  88           HD1      TYR  88  -0.909  25.076  25.076
  688    HD2  TYR  88           HD2      TYR  88   3.030  23.487  23.487
  689    HE1  TYR  88           HE1      TYR  88   0.084  27.201  27.201
  690    HE2  TYR  88           HE2      TYR  88   4.010  25.618  25.618
  691    HH   TYR  88           HH       TYR  88   3.426  27.891  27.891
  692    H    LYS  89           HN       LYS  89  -2.140  20.740  20.740
  693    HA   LYS  89           HA       LYS  89  -1.499  19.539  19.539
  694   1HB   LYS  89          2HB       LYS  89  -2.726  18.647  18.647
  695   2HB   LYS  89          3HB       LYS  89  -3.013  17.687  17.687
  696   1HG   LYS  89          2HG       LYS  89  -0.249  18.287  18.287
  697   2HG   LYS  89          3HG       LYS  89  -0.562  17.952  17.952
  698   1HD   LYS  89          2HD       LYS  89  -1.898  15.860  15.860
  699   2HD   LYS  89          3HD       LYS  89  -0.975  16.135  16.135
  700   1HE   LYS  89          2HE       LYS  89   1.083  15.640  15.640
  701   2HE   LYS  89          3HE       LYS  89   0.511  16.075  16.075
  702   1HZ   LYS  89          3HZ       LYS  89  -1.077  14.067  14.067
  703   2HZ   LYS  89          1HZ       LYS  89   0.158  13.603  13.603
  704   3HZ   LYS  89          2HZ       LYS  89   0.412  13.848  13.848
  705    H    LYS  90           HN       LYS  90  -4.198  21.259  21.259
  706    HA   LYS  90           HA       LYS  90  -6.086  20.307  20.307
  707   1HB   LYS  90          2HB       LYS  90  -6.193  22.279  22.279
  708   2HB   LYS  90          3HB       LYS  90  -7.512  22.133  22.133
  709   1HG   LYS  90          2HG       LYS  90  -7.082  19.481  19.481
  710   2HG   LYS  90          3HG       LYS  90  -6.588  20.202  20.202
  711   1HD   LYS  90          2HD       LYS  90  -8.725  21.137  21.137
  712   2HD   LYS  90          3HD       LYS  90  -9.185  21.093  21.093
  713   1HE   LYS  90          2HE       LYS  90  -8.750  18.402  18.402
  714   2HE   LYS  90          3HE       LYS  90  -9.361  18.955  18.955
  715   1HZ   LYS  90          2HZ       LYS  90 -11.226  19.947  19.947
  716   2HZ   LYS  90          3HZ       LYS  90 -10.672  19.326  19.326
  717   3HZ   LYS  90          1HZ       LYS  90 -11.157  18.329  18.329
  718    H    GLY  91           HN       GLY  91  -3.812  22.985  22.985
  719   1HA   GLY  91          1HA       GLY  91  -3.925  23.729  23.729
  720   2HA   GLY  91          2HA       GLY  91  -4.930  24.831  24.831
  721    H    ASN  92           HN       ASN  92  -2.316  25.303  25.303
  722    HA   ASN  92           HA       ASN  92  -0.152  25.383  25.383
  723   1HB   ASN  92          2HB       ASN  92   0.384  27.607  27.607
  724   2HB   ASN  92          3HB       ASN  92   0.036  26.217  26.217
  725   1HD2  ASN  92          2HD2      ASN  92  -1.903  29.452  29.452
  726   2HD2  ASN  92          1HD2      ASN  92  -0.279  29.203  29.203
  727    H    ASP  93           HN       ASP  93  -2.872  27.790  27.790
  728    HA   ASP  93           HA       ASP  93  -3.352  29.523  29.523
  729   1HB   ASP  93          2HB       ASP  93  -4.221  27.742  27.742
  730   2HB   ASP  93          3HB       ASP  93  -2.636  27.441  27.441
  731    H    GLY  94           HN       GLY  94  -0.871  30.066  30.066
  732   1HA   GLY  94          1HA       GLY  94   0.366  31.958  31.958
  733   2HA   GLY  94          2HA       GLY  94   0.842  30.718  30.718
  734    H    LEU  95           HN       LEU  95   1.318  28.482  28.482
  735    HA   LEU  95           HA       LEU  95   3.838  29.183  29.183
  736   1HB   LEU  95          2HB       LEU  95   2.388  26.557  26.557
  737   2HB   LEU  95          3HB       LEU  95   4.113  26.855  26.855
  738    HG   LEU  95           HG       LEU  95   2.394  27.138  27.138
  739   1HD1  LEU  95          3HD1      LEU  95   4.106  24.912  24.912
  740   2HD1  LEU  95          1HD1      LEU  95   3.938  25.151  25.151
  741   3HD1  LEU  95          2HD1      LEU  95   2.495  24.854  24.854
  742   1HD2  LEU  95          2HD2      LEU  95   4.389  28.674  28.674
  743   2HD2  LEU  95          3HD2      LEU  95   4.376  27.568  27.568
  744   3HD2  LEU  95          1HD2      LEU  95   5.413  27.218  27.218
  745    H    CYS  96           HN       CYS  96   4.390  28.151  28.151
  746    HA   CYS  96           HA       CYS  96   2.704  29.601  29.601
  747   1HB   CYS  96          2HB       CYS  96   4.419  28.951  28.951
  748   2HB   CYS  96          3HB       CYS  96   5.073  29.818  29.818
  749    HG   CYS  96           HG       CYS  96   6.481  28.123  28.123
  750    H    GLN  97           HN       GLN  97   3.429  26.249  26.249
  751    HA   GLN  97           HA       GLN  97   1.222  25.406  25.406
  752   1HB   GLN  97          2HB       GLN  97   3.821  23.827  23.827
  753   2HB   GLN  97          3HB       GLN  97   2.427  23.434  23.434
  754   1HG   GLN  97          2HG       GLN  97   2.754  25.475  25.475
  755   2HG   GLN  97          3HG       GLN  97   4.066  25.993  25.993
  756   1HE2  GLN  97          2HE2      GLN  97   6.482  23.688  23.688
  757   2HE2  GLN  97          1HE2      GLN  97   5.957  24.615  24.615
  758    H    LYS  98           HN       LYS  98  -0.070  23.757  23.757
  759    HA   LYS  98           HA       LYS  98   0.033  23.556  23.556
  760   1HB   LYS  98          2HB       LYS  98  -1.876  22.153  22.153
  761   2HB   LYS  98          3HB       LYS  98  -2.003  23.385  23.385
  762   1HG   LYS  98          2HG       LYS  98  -1.823  21.868  21.868
  763   2HG   LYS  98          3HG       LYS  98  -0.531  20.986  20.986
  764   1HD   LYS  98          2HD       LYS  98  -2.053  19.353  19.353
  765   2HD   LYS  98          3HD       LYS  98  -2.745  20.429  20.429
  766   1HE   LYS  98          2HE       LYS  98  -4.346  21.325  21.325
  767   2HE   LYS  98          3HE       LYS  98  -3.546  20.518  20.518
  768   1HZ   LYS  98          1HZ       LYS  98  -4.083  18.406  18.406
  769   2HZ   LYS  98          2HZ       LYS  98  -5.011  19.252  19.252
  770   3HZ   LYS  98          3HZ       LYS  98  -5.386  19.226  19.226
  771    H    LEU  99           HN       LEU  99   0.065  21.348  21.348
  772    HA   LEU  99           HA       LEU  99   2.588  20.135  20.135
  773   1HB   LEU  99          2HB       LEU  99   0.668  19.939  19.939
  774   2HB   LEU  99          3HB       LEU  99   1.998  18.811  18.811
  775    HG   LEU  99           HG       LEU  99   2.115  21.788  21.788
  776   1HD1  LEU  99          3HD1      LEU  99   3.191  19.374  19.374
  777   2HD1  LEU  99          1HD1      LEU  99   3.587  21.061  21.061
  778   3HD1  LEU  99          2HD1      LEU  99   1.906  20.490  20.490
  779   1HD2  LEU  99          3HD2      LEU  99   4.139  20.046  20.046
  780   2HD2  LEU  99          1HD2      LEU  99   3.815  21.785  21.785
  781   3HD2  LEU  99          2HD2      LEU  99   4.719  21.200  21.200
  782    H    SER 100           HN       SER 100   2.935  18.086  18.086
  783    HA   SER 100           HA       SER 100   0.531  16.813  16.813
  784   1HB   SER 100          2HB       SER 100   2.023  15.634  15.634
  785   2HB   SER 100          3HB       SER 100   2.327  17.359  17.359
  786    HG   SER 100           HG       SER 100   4.197  15.653  15.653
  787    H    VAL 101           HN       VAL 101   3.769  15.436  15.436
  788    HA   VAL 101           HA       VAL 101   2.416  13.745  13.745
  789    HB   VAL 101           HB       VAL 101   3.915  11.880  11.880
  790   1HG1  VAL 101          1HG1      VAL 101   1.514  12.959  12.959
  791   2HG1  VAL 101          2HG1      VAL 101   2.326  11.485  11.485
  792   3HG1  VAL 101          3HG1      VAL 101   1.652  11.541  11.541
  793   1HG2  VAL 101          1HG2      VAL 101   4.184  13.827  13.827
  794   2HG2  VAL 101          2HG2      VAL 101   5.472  13.006  13.006
  795   3HG2  VAL 101          3HG2      VAL 101   4.431  12.074  12.074
  796    HA   PRO 102           HA       PRO 102   5.854  14.799  14.799
  797   1HB   PRO 102          2HB       PRO 102   5.886  12.776  12.776
  798   2HB   PRO 102          3HB       PRO 102   4.798  14.146  14.146
  799   1HG   PRO 102          2HG       PRO 102   4.206  11.366  11.366
  800   2HG   PRO 102          3HG       PRO 102   3.094  12.620  12.620
  801   1HD   PRO 102          2HD       PRO 102   3.554  11.728  11.728
  802   2HD   PRO 102          3HD       PRO 102   2.530  13.059  13.059
  803    H    CYS 103           HN       CYS 103   8.074  14.455  14.455
  804    HA   CYS 103           HA       CYS 103   9.453  13.266  13.266
  805   1HB   CYS 103          2HB       CYS 103  10.232  14.798  14.798
  806   2HB   CYS 103          3HB       CYS 103  10.586  13.289  13.289
  807    HG   CYS 103           HG       CYS 103  11.430  13.207  13.207
  808    H    MET 104           HN       MET 104  10.456  11.182  11.182
  809    HA   MET 104           HA       MET 104   8.964   9.077   9.077
  810   1HB   MET 104          2HB       MET 104  11.395   9.073   9.073
  811   2HB   MET 104          3HB       MET 104  10.430   7.658   7.658
  812   1HG   MET 104          2HG       MET 104   8.570   9.672   9.672
  813   2HG   MET 104          3HG       MET 104   9.902   9.780   9.780
  814   1HE   MET 104          3HE       MET 104   8.308   7.330   7.330
  815   2HE   MET 104          1HE       MET 104   7.003   6.751   6.751
  816   3HE   MET 104          2HE       MET 104   8.484   5.783   5.783
  817    H    SER 105           HN       SER 105  10.236   7.023   7.023
  818    HA   SER 105           HA       SER 105  12.474   7.931   7.931
  819   1HB   SER 105          2HB       SER 105  10.389   7.678   7.678
  820   2HB   SER 105          3HB       SER 105  10.263   6.007   6.007
  821    HG   SER 105           HG       SER 105  12.783   6.593   6.593
  822    H    SER 106           HN       SER 106  14.028   7.030   7.030
  823    HA   SER 106           HA       SER 106  13.903   4.119   4.119
  824   1HB   SER 106          2HB       SER 106  14.582   4.086   4.086
  825   2HB   SER 106          3HB       SER 106  13.514   5.475   5.475
  826    HG   SER 106           HG       SER 106  16.274   5.350   5.350
  827    H    LYS 107           HN       LYS 107  15.598   3.199   3.199
  828    HA   LYS 107           HA       LYS 107  18.017   4.840   4.840
  829   1HB   LYS 107          2HB       LYS 107  16.476   4.165   4.165
  830   2HB   LYS 107          3HB       LYS 107  17.318   2.635   2.635
  831   1HG   LYS 107          2HG       LYS 107  19.281   3.504   3.504
  832   2HG   LYS 107          3HG       LYS 107  19.146   4.952   4.952
  833   1HD   LYS 107          2HD       LYS 107  18.434   6.139   6.139
  834   2HD   LYS 107          3HD       LYS 107  17.072   5.056   5.056
  835   1HE   LYS 107          2HE       LYS 107  18.270   4.901   4.901
  836   2HE   LYS 107          3HE       LYS 107  18.709   3.443   3.443
  837   1HZ   LYS 107          1HZ       LYS 107  20.550   5.170   5.170
  838   2HZ   LYS 107          2HZ       LYS 107  20.330   5.691   5.691
  839   3HZ   LYS 107          3HZ       LYS 107  20.763   4.142   4.142

  Start of MODEL   10
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.991  -0.550  -0.550
    3   1HB   MET   1          2HB       MET   1   1.844  -0.774  -0.774
    4   2HB   MET   1          3HB       MET   1   0.996  -1.699  -1.699
    5   1HG   MET   1          2HG       MET   1  -0.050   1.014   1.014
    6   2HG   MET   1          3HG       MET   1  -0.054   0.393   0.393
    7   1HE   MET   1          2HE       MET   1  -2.450   1.014   1.014
    8   2HE   MET   1          3HE       MET   1  -2.740  -0.464  -0.464
    9   3HE   MET   1          1HE       MET   1  -3.674  -0.162  -0.162
   10    H    GLU   2           HN       GLU   2   3.231   1.845   1.845
   11    HA   GLU   2           HA       GLU   2   3.960   3.866   3.866
   12   1HB   GLU   2          2HB       GLU   2   3.704   3.315   3.315
   13   2HB   GLU   2          3HB       GLU   2   4.569   4.665   4.665
   14   1HG   GLU   2          2HG       GLU   2   6.405   3.331   3.331
   15   2HG   GLU   2          3HG       GLU   2   5.622   2.441   2.441
   16    H    THR   3           HN       THR   3   2.241   4.987   4.987
   17    HA   THR   3           HA       THR   3   0.602   6.506   6.506
   18    HB   THR   3           HB       THR   3  -1.531   5.610   5.610
   19    HG1  THR   3           HG1      THR   3   0.552   3.580   3.580
   20   1HG2  THR   3          3HG2      THR   3  -0.598   4.937   4.937
   21   2HG2  THR   3          1HG2      THR   3  -0.259   3.390   3.390
   22   3HG2  THR   3          2HG2      THR   3  -1.925   4.014   4.014
   23    H    GLU   4           HN       GLU   4  -0.454   8.285   8.285
   24    HA   GLU   4           HA       GLU   4  -0.278   8.587   8.587
   25   1HB   GLU   4          2HB       GLU   4   2.044   9.448   9.448
   26   2HB   GLU   4          3HB       GLU   4   1.345  10.780  10.780
   27   1HG   GLU   4          2HG       GLU   4   1.995   9.923   9.923
   28   2HG   GLU   4          3HG       GLU   4   1.530   8.290   8.290
   29    H    GLU   5           HN       GLU   5  -2.191   8.798   8.798
   30    HA   GLU   5           HA       GLU   5  -2.635  11.654  11.654
   31   1HB   GLU   5          2HB       GLU   5  -3.390   9.297   9.297
   32   2HB   GLU   5          3HB       GLU   5  -4.679  10.470  10.470
   33   1HG   GLU   5          2HG       GLU   5  -3.395  12.225  12.225
   34   2HG   GLU   5          3HG       GLU   5  -1.878  11.385  11.385
   35    H    TRP   6           HN       TRP   6  -2.936  10.839  10.839
   36    HA   TRP   6           HA       TRP   6  -5.809  10.367  10.367
   37   1HB   TRP   6          2HB       TRP   6  -5.230   9.780   9.780
   38   2HB   TRP   6          3HB       TRP   6  -4.450   8.751   8.751
   39    HD1  TRP   6           HD1      TRP   6  -1.846   8.505   8.505
   40    HE1  TRP   6           HE1      TRP   6   0.095   9.621   9.621
   41    HE3  TRP   6           HE3      TRP   6  -4.677  12.270  12.270
   42    HZ2  TRP   6           HZ2      TRP   6   0.225  11.902  11.902
   43    HZ3  TRP   6           HZ3      TRP   6  -3.566  13.899  13.899
   44    HH2  TRP   6           HH2      TRP   6  -1.202  13.759  13.759
   45    H    PHE   7           HN       PHE   7  -3.214  12.708  12.708
   46    HA   PHE   7           HA       PHE   7  -4.802  14.462  14.462
   47   1HB   PHE   7          2HB       PHE   7  -2.433  14.249  14.249
   48   2HB   PHE   7          3HB       PHE   7  -1.943  14.360  14.360
   49    HD1  PHE   7           HD2      PHE   7  -3.010  16.250  16.250
   50    HD2  PHE   7           HD1      PHE   7  -1.791  16.514  16.514
   51    HE1  PHE   7           HE2      PHE   7  -2.633  18.717  18.717
   52    HE2  PHE   7           HE1      PHE   7  -1.414  18.980  18.980
   53   1HZ   PHE   7           HZ       PHE   7  -1.839  20.052  20.052
   54    H    PHE   8           HN       PHE   8  -5.482  16.547  16.547
   55    HA   PHE   8           HA       PHE   8  -5.133  17.071  17.071
   56   1HB   PHE   8          2HB       PHE   8  -7.598  16.869  16.869
   57   2HB   PHE   8          3HB       PHE   8  -7.632  18.036  18.036
   58    HD1  PHE   8           HD2      PHE   8  -6.797  14.438  14.438
   59    HD2  PHE   8           HD1      PHE   8  -8.461  17.348  17.348
   60    HE1  PHE   8           HE2      PHE   8  -7.466  12.624  12.624
   61    HE2  PHE   8           HE1      PHE   8  -9.130  15.535  15.535
   62   1HZ   PHE   8           HZ       PHE   8  -8.625  13.194  13.194
   63    H    LYS   9           HN       LYS   9  -5.668  19.407  19.407
   64    HA   LYS   9           HA       LYS   9  -4.257  21.098  21.098
   65   1HB   LYS   9          2HB       LYS   9  -5.414  21.209  21.209
   66   2HB   LYS   9          3HB       LYS   9  -5.616  22.720  22.720
   67   1HG   LYS   9          2HG       LYS   9  -3.485  23.054  23.054
   68   2HG   LYS   9          3HG       LYS   9  -3.061  22.337  22.337
   69   1HD   LYS   9          2HD       LYS   9  -2.727  20.151  20.151
   70   2HD   LYS   9          3HD       LYS   9  -3.460  20.657  20.657
   71   1HE   LYS   9          2HE       LYS   9  -1.389  22.528  22.528
   72   2HE   LYS   9          3HE       LYS   9  -0.691  21.018  21.018
   73   1HZ   LYS   9          3HZ       LYS   9  -2.093  20.510  20.510
   74   2HZ   LYS   9          1HZ       LYS   9  -1.167  21.827  21.827
   75   3HZ   LYS   9          2HZ       LYS   9  -0.479  20.437  20.437
   76    H    GLY  10           HN       GLY  10  -5.698  23.514  23.514
   77   1HA   GLY  10          1HA       GLY  10  -7.450  23.033  23.033
   78   2HA   GLY  10          2HA       GLY  10  -7.018  24.574  24.574
   79    H    ILE  11           HN       ILE  11  -8.968  21.588  21.588
   80    HA   ILE  11           HA       ILE  11 -10.604  23.011  23.011
   81    HB   ILE  11           HB       ILE  11  -9.857  20.487  20.487
   82   1HG1  ILE  11          2HG1      ILE  11 -12.441  21.653  21.653
   83   2HG1  ILE  11          3HG1      ILE  11 -10.967  21.302  21.302
   84   1HG2  ILE  11          2HG2      ILE  11 -10.910  20.036  20.036
   85   2HG2  ILE  11          3HG2      ILE  11 -12.502  20.422  20.422
   86   3HG2  ILE  11          1HG2      ILE  11 -11.586  19.019  19.019
   87   1HD1  ILE  11          3HD1      ILE  11 -11.407  18.805  18.805
   88   2HD1  ILE  11          1HD1      ILE  11 -13.068  19.374  19.374
   89   3HD1  ILE  11          2HD1      ILE  11 -12.358  19.503  19.503
   90    H    SER  12           HN       SER  12 -12.953  23.284  23.284
   91    HA   SER  12           HA       SER  12 -13.496  24.208  24.208
   92   1HB   SER  12          2HB       SER  12 -15.456  25.248  25.248
   93   2HB   SER  12          3HB       SER  12 -14.117  25.500  25.500
   94    HG   SER  12           HG       SER  12 -14.916  23.896  23.896
   95    H    ARG  13           HN       ARG  13 -15.421  23.550  23.550
   96    HA   ARG  13           HA       ARG  13 -15.679  20.829  20.829
   97   1HB   ARG  13          2HB       ARG  13 -16.219  22.445  22.445
   98   2HB   ARG  13          3HB       ARG  13 -17.633  22.983  22.983
   99   1HG   ARG  13          2HG       ARG  13 -17.432  20.029  20.029
  100   2HG   ARG  13          3HG       ARG  13 -17.685  20.995  20.995
  101   1HD   ARG  13          2HD       ARG  13 -19.405  21.261  21.261
  102   2HD   ARG  13          3HD       ARG  13 -19.821  20.211  20.211
  103    HE   ARG  13           HE       ARG  13 -20.017  23.127  23.127
  104   1HH1  ARG  13          2HH2      ARG  13 -19.671  20.321  20.321
  105   2HH1  ARG  13          1HH2      ARG  13 -20.329  21.119  21.119
  106   1HH2  ARG  13          2HH1      ARG  13 -20.884  24.180  24.180
  107   2HH2  ARG  13          1HH1      ARG  13 -21.023  23.328  23.328
  108    H    LYS  14           HN       LYS  14 -17.279  23.189  23.189
  109    HA   LYS  14           HA       LYS  14 -19.557  21.539  21.539
  110   1HB   LYS  14          2HB       LYS  14 -18.523  24.195  24.195
  111   2HB   LYS  14          3HB       LYS  14 -19.709  23.364  23.364
  112   1HG   LYS  14          2HG       LYS  14 -20.432  23.285  23.285
  113   2HG   LYS  14          3HG       LYS  14 -20.227  24.931  24.931
  114   1HD   LYS  14          2HD       LYS  14 -21.854  22.947  22.947
  115   2HD   LYS  14          3HD       LYS  14 -22.577  23.771  23.771
  116   1HE   LYS  14          2HE       LYS  14 -22.630  25.809  25.809
  117   2HE   LYS  14          3HE       LYS  14 -21.078  25.561  25.561
  118   1HZ   LYS  14          1HZ       LYS  14 -22.805  23.713  23.713
  119   2HZ   LYS  14          2HZ       LYS  14 -23.627  25.123  25.123
  120   3HZ   LYS  14          3HZ       LYS  14 -22.186  25.035  25.035
  121    H    ASP  15           HN       ASP  15 -16.273  22.004  22.004
  122    HA   ASP  15           HA       ASP  15 -16.878  20.643  20.643
  123   1HB   ASP  15          2HB       ASP  15 -14.425  21.835  21.835
  124   2HB   ASP  15          3HB       ASP  15 -14.187  20.663  20.663
  125    H    ALA  16           HN       ALA  16 -15.728  19.972  19.972
  126    HA   ALA  16           HA       ALA  16 -14.529  17.451  17.451
  127   1HB   ALA  16          1HB       ALA  16 -15.078  19.084  19.084
  128   2HB   ALA  16          2HB       ALA  16 -14.740  17.346  17.346
  129   3HB   ALA  16          3HB       ALA  16 -13.544  18.407  18.407
  130    H    GLU  17           HN       GLU  17 -17.736  18.701  18.701
  131    HA   GLU  17           HA       GLU  17 -18.733  16.174  16.174
  132   1HB   GLU  17          2HB       GLU  17 -19.846  18.926  18.926
  133   2HB   GLU  17          3HB       GLU  17 -20.982  17.594  17.594
  134   1HG   GLU  17          2HG       GLU  17 -19.751  16.830  16.830
  135   2HG   GLU  17          3HG       GLU  17 -19.293  18.519  18.519
  136    H    ARG  18           HN       ARG  18 -18.715  18.174  18.174
  137    HA   ARG  18           HA       ARG  18 -20.423  16.388  16.388
  138   1HB   ARG  18          2HB       ARG  18 -19.976  17.795  17.795
  139   2HB   ARG  18          3HB       ARG  18 -20.185  18.836  18.836
  140   1HG   ARG  18          2HG       ARG  18 -18.217  19.772  19.772
  141   2HG   ARG  18          3HG       ARG  18 -17.487  18.439  18.439
  142   1HD   ARG  18          2HD       ARG  18 -16.886  17.317  17.317
  143   2HD   ARG  18          3HD       ARG  18 -18.331  17.804  17.804
  144    HE   ARG  18           HE       ARG  18 -15.778  19.200  19.200
  145   1HH1  ARG  18          2HH2      ARG  18 -19.250  19.666  19.666
  146   2HH1  ARG  18          1HH2      ARG  18 -19.094  21.126  21.126
  147   1HH2  ARG  18          2HH1      ARG  18 -15.572  21.126  21.126
  148   2HH2  ARG  18          1HH1      ARG  18 -16.988  21.962  21.962
  149    H    GLN  19           HN       GLN  19 -16.915  16.806  16.806
  150    HA   GLN  19           HA       GLN  19 -16.153  15.193  15.193
  151   1HB   GLN  19          2HB       GLN  19 -14.799  16.331  16.331
  152   2HB   GLN  19          3HB       GLN  19 -13.977  15.056  15.056
  153   1HG   GLN  19          2HG       GLN  19 -14.954  16.853  16.853
  154   2HG   GLN  19          3HG       GLN  19 -14.294  17.865  17.865
  155   1HE2  GLN  19          2HE2      GLN  19 -10.985  16.307  16.307
  156   2HE2  GLN  19          1HE2      GLN  19 -12.213  16.671  16.671
  157    H    LEU  20           HN       LEU  20 -16.995  14.599  14.599
  158    HA   LEU  20           HA       LEU  20 -16.090  11.876  11.876
  159   1HB   LEU  20          2HB       LEU  20 -17.408  13.654  13.654
  160   2HB   LEU  20          3HB       LEU  20 -17.468  11.918  11.918
  161    HG   LEU  20           HG       LEU  20 -14.905  13.495  13.495
  162   1HD1  LEU  20          2HD1      LEU  20 -16.238  14.083  14.083
  163   2HD1  LEU  20          3HD1      LEU  20 -15.998  12.402  12.402
  164   3HD1  LEU  20          1HD1      LEU  20 -14.593  13.466  13.466
  165   1HD2  LEU  20          1HD2      LEU  20 -15.477  10.693  10.693
  166   2HD2  LEU  20          2HD2      LEU  20 -13.912  11.527  11.527
  167   3HD2  LEU  20          3HD2      LEU  20 -14.512  11.043  11.043
  168    H    LEU  21           HN       LEU  21 -19.173  13.696  13.696
  169    HA   LEU  21           HA       LEU  21 -20.705  11.276  11.276
  170   1HB   LEU  21          2HB       LEU  21 -21.270  14.211  14.211
  171   2HB   LEU  21          3HB       LEU  21 -22.466  13.056  13.056
  172    HG   LEU  21           HG       LEU  21 -21.288  12.855  12.855
  173   1HD1  LEU  21          1HD1      LEU  21 -22.148  15.168  15.168
  174   2HD1  LEU  21          2HD1      LEU  21 -23.744  14.475  14.475
  175   3HD1  LEU  21          3HD1      LEU  21 -23.030  14.244  14.244
  176   1HD2  LEU  21          3HD2      LEU  21 -22.828  11.103  11.103
  177   2HD2  LEU  21          1HD2      LEU  21 -22.935  11.362  11.362
  178   3HD2  LEU  21          2HD2      LEU  21 -24.105  12.147  12.147
  179    H    ALA  22           HN       ALA  22 -18.679  13.077  13.077
  180    HA   ALA  22           HA       ALA  22 -19.935  13.005  13.005
  181   1HB   ALA  22          2HB       ALA  22 -17.315  13.367  13.367
  182   2HB   ALA  22          3HB       ALA  22 -17.181  12.145  12.145
  183   3HB   ALA  22          1HB       ALA  22 -17.903  13.733  13.733
  184    HA   PRO  23           HA       PRO  23 -20.328   8.851   8.851
  185   1HB   PRO  23          2HB       PRO  23 -19.918   8.875   8.875
  186   2HB   PRO  23          3HB       PRO  23 -21.423   9.376   9.376
  187   1HG   PRO  23          2HG       PRO  23 -19.295  11.050  11.050
  188   2HG   PRO  23          3HG       PRO  23 -20.957  11.476  11.476
  189   1HD   PRO  23          2HD       PRO  23 -18.635  12.216  12.216
  190   2HD   PRO  23          3HD       PRO  23 -20.305  12.543  12.543
  191    H    GLY  24           HN       GLY  24 -17.352  10.360  10.360
  192   1HA   GLY  24          1HA       GLY  24 -15.989   7.906   7.906
  193   2HA   GLY  24          2HA       GLY  24 -15.287   9.498   9.498
  194    H    ASN  25           HN       ASN  25 -17.452   8.701   8.701
  195    HA   ASN  25           HA       ASN  25 -15.256   7.606   7.606
  196   1HB   ASN  25          2HB       ASN  25 -16.885  10.096  10.096
  197   2HB   ASN  25          3HB       ASN  25 -16.473   9.110   9.110
  198   1HD2  ASN  25          2HD2      ASN  25 -13.620  11.204  11.204
  199   2HD2  ASN  25          1HD2      ASN  25 -15.215  10.921  10.921
  200    H    MET  26           HN       MET  26 -16.044   6.319   6.319
  201    HA   MET  26           HA       MET  26 -18.893   5.954   5.954
  202   1HB   MET  26          2HB       MET  26 -18.730   3.497   3.497
  203   2HB   MET  26          3HB       MET  26 -18.114   4.326   4.326
  204   1HG   MET  26          2HG       MET  26 -15.763   4.117   4.117
  205   2HG   MET  26          3HG       MET  26 -16.502   2.997   2.997
  206   1HE   MET  26          2HE       MET  26 -18.625   1.466   1.466
  207   2HE   MET  26          3HE       MET  26 -17.757   0.114   0.114
  208   3HE   MET  26          1HE       MET  26 -17.346   0.610   0.610
  209    H    LEU  27           HN       LEU  27 -19.502   4.557   4.557
  210    HA   LEU  27           HA       LEU  27 -18.407   5.382   5.382
  211   1HB   LEU  27          2HB       LEU  27 -20.004   3.049   3.049
  212   2HB   LEU  27          3HB       LEU  27 -19.184   2.872   2.872
  213    HG   LEU  27           HG       LEU  27 -20.413   5.445   5.445
  214   1HD1  LEU  27          3HD1      LEU  27 -21.786   3.976   3.976
  215   2HD1  LEU  27          1HD1      LEU  27 -22.643   3.534   3.534
  216   3HD1  LEU  27          2HD1      LEU  27 -22.506   5.244   5.244
  217   1HD2  LEU  27          3HD2      LEU  27 -20.436   2.954   2.954
  218   2HD2  LEU  27          1HD2      LEU  27 -20.333   4.653   4.653
  219   3HD2  LEU  27          2HD2      LEU  27 -21.915   3.937   3.937
  220    H    GLY  28           HN       GLY  28 -16.592   5.056   5.056
  221   1HA   GLY  28          1HA       GLY  28 -14.911   3.553   3.553
  222   2HA   GLY  28          2HA       GLY  28 -14.840   2.811   2.811
  223    H    SER  29           HN       SER  29 -15.162   5.685   5.685
  224    HA   SER  29           HA       SER  29 -12.372   6.098   6.098
  225   1HB   SER  29          2HB       SER  29 -14.767   7.659   7.659
  226   2HB   SER  29          3HB       SER  29 -13.107   8.039   8.039
  227    HG   SER  29           HG       SER  29 -14.556   5.608   5.608
  228    H    PHE  30           HN       PHE  30 -11.108   7.809   7.809
  229    HA   PHE  30           HA       PHE  30 -12.520   9.692   9.692
  230   1HB   PHE  30          2HB       PHE  30 -11.024   9.155   9.155
  231   2HB   PHE  30          3HB       PHE  30 -11.352   7.581   7.581
  232    HD1  PHE  30           HD2      PHE  30  -9.654   6.487   6.487
  233    HD2  PHE  30           HD1      PHE  30  -8.837  10.123  10.123
  234    HE1  PHE  30           HE2      PHE  30  -7.194   6.126   6.126
  235    HE2  PHE  30           HE1      PHE  30  -6.377   9.763   9.763
  236   1HZ   PHE  30           HZ       PHE  30  -5.585   7.769   7.769
  237    H    MET  31           HN       MET  31 -11.271  11.681  11.681
  238    HA   MET  31           HA       MET  31  -8.962  12.057  12.057
  239   1HB   MET  31          2HB       MET  31  -9.987  14.173  14.173
  240   2HB   MET  31          3HB       MET  31 -10.816  12.720  12.720
  241   1HG   MET  31          2HG       MET  31 -12.723  13.178  13.178
  242   2HG   MET  31          3HG       MET  31 -11.829  14.005  14.005
  243   1HE   MET  31          2HE       MET  31 -12.533  14.061  14.061
  244   2HE   MET  31          3HE       MET  31 -12.585  15.788  15.788
  245   3HE   MET  31          1HE       MET  31 -11.029  15.013  15.013
  246    H    ILE  32           HN       ILE  32  -7.556  13.712  13.712
  247    HA   ILE  32           HA       ILE  32  -8.444  14.966  14.966
  248    HB   ILE  32           HB       ILE  32  -5.813  13.725  13.725
  249   1HG1  ILE  32          2HG1      ILE  32  -7.500  13.377  13.377
  250   2HG1  ILE  32          3HG1      ILE  32  -7.673  12.373  12.373
  251   1HG2  ILE  32          1HG2      ILE  32  -6.351  15.954  15.954
  252   2HG2  ILE  32          2HG2      ILE  32  -5.207  14.681  14.681
  253   3HG2  ILE  32          3HG2      ILE  32  -4.918  15.614  15.614
  254   1HD1  ILE  32          3HD1      ILE  32  -5.120  11.942  11.942
  255   2HD1  ILE  32          1HD1      ILE  32  -5.251  12.642  12.642
  256   3HD1  ILE  32          2HD1      ILE  32  -6.166  11.172  11.172
  257    H    ARG  33           HN       ARG  33  -8.238  17.167  17.167
  258    HA   ARG  33           HA       ARG  33  -6.604  18.460  18.460
  259   1HB   ARG  33          2HB       ARG  33  -8.591  20.202  20.202
  260   2HB   ARG  33          3HB       ARG  33  -8.651  18.735  18.735
  261   1HG   ARG  33          2HG       ARG  33 -10.460  17.927  17.927
  262   2HG   ARG  33          3HG       ARG  33  -9.776  18.337  18.337
  263   1HD   ARG  33          2HD       ARG  33 -10.439  20.736  20.736
  264   2HD   ARG  33          3HD       ARG  33 -11.145  20.307  20.307
  265    HE   ARG  33           HE       ARG  33 -12.332  18.560  18.560
  266   1HH1  ARG  33          2HH2      ARG  33 -12.120  22.048  22.048
  267   2HH1  ARG  33          1HH2      ARG  33 -13.645  22.359  22.359
  268   1HH2  ARG  33          2HH1      ARG  33 -14.344  18.970  18.970
  269   2HH2  ARG  33          1HH1      ARG  33 -14.919  20.596  20.596
  270    H    ASP  34           HN       ASP  34  -6.537  20.981  20.981
  271    HA   ASP  34           HA       ASP  34  -6.238  21.109  21.109
  272   1HB   ASP  34          2HB       ASP  34  -4.415  21.710  21.710
  273   2HB   ASP  34          3HB       ASP  34  -5.256  23.247  23.247
  274    H    SER  35           HN       SER  35  -6.873  23.261  23.261
  275    HA   SER  35           HA       SER  35  -9.456  23.948  23.948
  276   1HB   SER  35          2HB       SER  35  -8.563  24.182  24.182
  277   2HB   SER  35          3HB       SER  35  -7.435  25.412  25.412
  278    HG   SER  35           HG       SER  35  -9.262  26.773  26.773
  279    H    GLU  36           HN       GLU  36 -10.233  26.223  26.223
  280    HA   GLU  36           HA       GLU  36  -8.409  27.315  27.315
  281   1HB   GLU  36          2HB       GLU  36 -11.333  26.839  26.839
  282   2HB   GLU  36          3HB       GLU  36 -10.898  28.419  28.419
  283   1HG   GLU  36          2HG       GLU  36  -9.297  27.315  27.315
  284   2HG   GLU  36          3HG       GLU  36  -9.812  25.749  25.749
  285    H    THR  37           HN       THR  37 -10.478  28.038  28.038
  286    HA   THR  37           HA       THR  37  -9.563  30.832  30.832
  287    HB   THR  37           HB       THR  37 -11.575  31.352  31.352
  288    HG1  THR  37           HG1      THR  37 -11.859  28.443  28.443
  289   1HG2  THR  37          1HG2      THR  37 -12.241  28.993  28.993
  290   2HG2  THR  37          2HG2      THR  37 -13.424  30.163  30.163
  291   3HG2  THR  37          3HG2      THR  37 -12.159  30.700  30.700
  292    H    THR  38           HN       THR  38 -10.114  28.086  28.086
  293    HA   THR  38           HA       THR  38  -8.371  29.391  29.391
  294    HB   THR  38           HB       THR  38  -9.838  26.700  26.700
  295    HG1  THR  38           HG1      THR  38 -11.428  28.067  28.067
  296   1HG2  THR  38          3HG2      THR  38  -8.689  28.516  28.516
  297   2HG2  THR  38          1HG2      THR  38  -9.765  27.132  27.132
  298   3HG2  THR  38          2HG2      THR  38  -8.148  26.864  26.864
  299    H    LYS  39           HN       LYS  39  -6.606  29.351  29.351
  300    HA   LYS  39           HA       LYS  39  -5.413  27.016  27.016
  301   1HB   LYS  39          2HB       LYS  39  -3.367  28.410  28.410
  302   2HB   LYS  39          3HB       LYS  39  -4.806  29.121  29.121
  303   1HG   LYS  39          2HG       LYS  39  -4.757  30.909  30.909
  304   2HG   LYS  39          3HG       LYS  39  -4.472  29.901  29.901
  305   1HD   LYS  39          2HD       LYS  39  -2.221  30.277  30.277
  306   2HD   LYS  39          3HD       LYS  39  -2.121  29.981  29.981
  307   1HE   LYS  39          2HE       LYS  39  -3.407  32.553  32.553
  308   2HE   LYS  39          3HE       LYS  39  -1.663  32.420  32.420
  309   1HZ   LYS  39          3HZ       LYS  39  -2.475  31.449  31.449
  310   2HZ   LYS  39          1HZ       LYS  39  -3.173  32.909  32.909
  311   3HZ   LYS  39          2HZ       LYS  39  -1.550  32.756  32.756
  312    H    GLY  40           HN       GLY  40  -3.458  25.900  25.900
  313   1HA   GLY  40          1HA       GLY  40  -1.954  25.297  25.297
  314   2HA   GLY  40          2HA       GLY  40  -2.844  26.240  26.240
  315    H    SER  41           HN       SER  41  -5.438  24.954  24.954
  316    HA   SER  41           HA       SER  41  -5.171  22.472  22.472
  317   1HB   SER  41          2HB       SER  41  -7.555  24.328  24.328
  318   2HB   SER  41          3HB       SER  41  -7.722  22.705  22.705
  319    HG   SER  41           HG       SER  41  -6.010  24.753  24.753
  320    H    TYR  42           HN       TYR  42  -6.024  20.539  20.539
  321    HA   TYR  42           HA       TYR  42  -6.593  20.790  20.790
  322   1HB   TYR  42          2HB       TYR  42  -5.488  18.709  18.709
  323   2HB   TYR  42          3HB       TYR  42  -6.148  18.156  18.156
  324    HD1  TYR  42           HD2      TYR  42  -5.191  19.386  19.386
  325    HD2  TYR  42           HD1      TYR  42  -3.225  19.249  19.249
  326    HE1  TYR  42           HE2      TYR  42  -2.963  19.862  19.862
  327    HE2  TYR  42           HE1      TYR  42  -1.003  19.725  19.725
  328    HH   TYR  42           HH       TYR  42   0.035  19.674  19.674
  329    H    SER  43           HN       SER  43  -8.130  19.043  19.043
  330    HA   SER  43           HA       SER  43 -10.145  18.324  18.324
  331   1HB   SER  43          2HB       SER  43 -10.852  19.796  19.796
  332   2HB   SER  43          3HB       SER  43 -11.978  19.242  19.242
  333    HG   SER  43           HG       SER  43 -10.872  21.624  21.624
  334    H    LEU  44           HN       LEU  44 -10.891  16.252  16.252
  335    HA   LEU  44           HA       LEU  44 -10.065  15.074  15.074
  336   1HB   LEU  44          2HB       LEU  44  -9.100  13.953  13.953
  337   2HB   LEU  44          3HB       LEU  44 -10.605  13.937  13.937
  338    HG   LEU  44           HG       LEU  44 -11.548  12.385  12.385
  339   1HD1  LEU  44          2HD1      LEU  44  -9.442  13.138  13.138
  340   2HD1  LEU  44          3HD1      LEU  44  -8.854  11.584  11.584
  341   3HD1  LEU  44          1HD1      LEU  44 -10.397  11.655  11.655
  342   1HD2  LEU  44          1HD2      LEU  44  -9.125  11.462  11.462
  343   2HD2  LEU  44          2HD2      LEU  44 -10.810  11.535  11.535
  344   3HD2  LEU  44          3HD2      LEU  44 -10.356  10.393  10.393
  345    H    SER  45           HN       SER  45 -11.558  13.781  13.781
  346    HA   SER  45           HA       SER  45 -14.319  14.029  14.029
  347   1HB   SER  45          2HB       SER  45 -13.571  14.667  14.667
  348   2HB   SER  45          3HB       SER  45 -15.067  15.022  15.022
  349    HG   SER  45           HG       SER  45 -12.669  16.470  16.470
  350    H    VAL  46           HN       VAL  46 -15.352  12.075  12.075
  351    HA   VAL  46           HA       VAL  46 -14.256  10.274  10.274
  352    HB   VAL  46           HB       VAL  46 -15.210   9.382   9.382
  353   1HG1  VAL  46          2HG1      VAL  46 -14.167   8.074   8.074
  354   2HG1  VAL  46          3HG1      VAL  46 -13.435   7.515   7.515
  355   3HG1  VAL  46          1HG1      VAL  46 -15.199   7.431   7.431
  356   1HG2  VAL  46          1HG2      VAL  46 -12.576  10.493  10.493
  357   2HG2  VAL  46          2HG2      VAL  46 -13.361  10.440  10.440
  358   3HG2  VAL  46          3HG2      VAL  46 -12.539   8.995   8.995
  359    H    ARG  47           HN       ARG  47 -15.840   8.684   8.684
  360    HA   ARG  47           HA       ARG  47 -18.418   9.929   9.929
  361   1HB   ARG  47          2HB       ARG  47 -17.321   9.103   9.103
  362   2HB   ARG  47          3HB       ARG  47 -17.319   7.470   7.470
  363   1HG   ARG  47          2HG       ARG  47 -19.546   7.148   7.148
  364   2HG   ARG  47          3HG       ARG  47 -19.991   8.758   8.758
  365   1HD   ARG  47          2HD       ARG  47 -19.583   9.720   9.720
  366   2HD   ARG  47          3HD       ARG  47 -18.426   8.487   8.487
  367    HE   ARG  47           HE       ARG  47 -21.068   7.346   7.346
  368   1HH1  ARG  47          2HH2      ARG  47 -19.099   9.175   9.175
  369   2HH1  ARG  47          1HH2      ARG  47 -19.992   8.655   8.655
  370   1HH2  ARG  47          2HH1      ARG  47 -22.247   6.659   6.659
  371   2HH2  ARG  47          1HH1      ARG  47 -21.795   7.215   7.215
  372    H    ASP  48           HN       ASP  48 -20.340   9.037   9.037
  373    HA   ASP  48           HA       ASP  48 -20.148   6.382   6.382
  374   1HB   ASP  48          2HB       ASP  48 -19.614   8.205   8.205
  375   2HB   ASP  48          3HB       ASP  48 -21.282   8.718   8.718
  376    H    TYR  49           HN       TYR  49 -22.427   5.563   5.563
  377    HA   TYR  49           HA       TYR  49 -24.532   7.095   7.095
  378   1HB   TYR  49          2HB       TYR  49 -23.398   5.142   5.142
  379   2HB   TYR  49          3HB       TYR  49 -24.042   4.059   4.059
  380    HD1  TYR  49           HD2      TYR  49 -26.568   3.909   3.909
  381    HD2  TYR  49           HD1      TYR  49 -24.742   5.892   5.892
  382    HE1  TYR  49           HE2      TYR  49 -28.748   3.754   3.754
  383    HE2  TYR  49           HE1      TYR  49 -26.928   5.730   5.730
  384    HH   TYR  49           HH       TYR  49 -29.858   4.643   4.643
  385    H    ASP  50           HN       ASP  50 -26.753   6.361   6.361
  386    HA   ASP  50           HA       ASP  50 -26.728   4.981   4.981
  387   1HB   ASP  50          2HB       ASP  50 -27.731   7.739   7.739
  388   2HB   ASP  50          3HB       ASP  50 -28.753   6.765   6.765
  389    HA   PRO  51           HA       PRO  51 -30.174   3.064   3.064
  390   1HB   PRO  51          2HB       PRO  51 -31.301   1.785   1.785
  391   2HB   PRO  51          3HB       PRO  51 -29.920   1.154   1.154
  392   1HG   PRO  51          2HG       PRO  51 -29.997   2.445   2.445
  393   2HG   PRO  51          3HG       PRO  51 -28.739   1.444   1.444
  394   1HD   PRO  51          2HD       PRO  51 -28.712   4.300   4.300
  395   2HD   PRO  51          3HD       PRO  51 -27.508   3.310   3.310
  396    H    ARG  52           HN       ARG  52 -30.404   5.666   5.666
  397    HA   ARG  52           HA       ARG  52 -33.298   5.654   5.654
  398   1HB   ARG  52          2HB       ARG  52 -31.350   7.049   7.049
  399   2HB   ARG  52          3HB       ARG  52 -32.920   7.779   7.779
  400   1HG   ARG  52          2HG       ARG  52 -33.885   6.315   6.315
  401   2HG   ARG  52          3HG       ARG  52 -33.339   4.963   4.963
  402   1HD   ARG  52          2HD       ARG  52 -32.073   4.411   4.411
  403   2HD   ARG  52          3HD       ARG  52 -30.986   5.669   5.669
  404    HE   ARG  52           HE       ARG  52 -32.987   6.956   6.956
  405   1HH1  ARG  52          2HH2      ARG  52 -30.429   4.591   4.591
  406   2HH1  ARG  52          1HH2      ARG  52 -30.178   5.021   5.021
  407   1HH2  ARG  52          2HH1      ARG  52 -32.657   7.524   7.524
  408   2HH2  ARG  52          1HH1      ARG  52 -31.454   6.700   6.700
  409    H    GLN  53           HN       GLN  53 -30.463   7.941   7.941
  410    HA   GLN  53           HA       GLN  53 -31.981   9.720   9.720
  411   1HB   GLN  53          2HB       GLN  53 -29.107   9.692   9.692
  412   2HB   GLN  53          3HB       GLN  53 -29.684  10.922  10.922
  413   1HG   GLN  53          2HG       GLN  53 -31.684  10.903  10.903
  414   2HG   GLN  53          3HG       GLN  53 -30.250  10.571  10.571
  415   1HE2  GLN  53          2HE2      GLN  53 -31.047  14.265  14.265
  416   2HE2  GLN  53          1HE2      GLN  53 -32.099  12.896  12.896
  417    H    GLY  54           HN       GLY  54 -28.896   7.841   7.841
  418   1HA   GLY  54          1HA       GLY  54 -29.006   6.411   6.411
  419   2HA   GLY  54          2HA       GLY  54 -29.450   7.883   7.883
  420    H    ASP  55           HN       ASP  55 -27.793   8.894   8.894
  421    HA   ASP  55           HA       ASP  55 -25.140   8.123   8.123
  422   1HB   ASP  55          2HB       ASP  55 -26.293  10.271  10.271
  423   2HB   ASP  55          3HB       ASP  55 -24.590   9.867   9.867
  424    H    THR  56           HN       THR  56 -23.652   9.256   9.256
  425    HA   THR  56           HA       THR  56 -24.185  12.049  12.049
  426    HB   THR  56           HB       THR  56 -24.288  11.675  11.675
  427    HG1  THR  56           HG1      THR  56 -23.493   9.701   9.701
  428   1HG2  THR  56          3HG2      THR  56 -26.409  10.894  10.894
  429   2HG2  THR  56          1HG2      THR  56 -25.723   9.252   9.252
  430   3HG2  THR  56          2HG2      THR  56 -26.086  10.033  10.033
  431    H    VAL  57           HN       VAL  57 -22.299  12.942  12.942
  432    HA   VAL  57           HA       VAL  57 -19.827  11.527  11.527
  433    HB   VAL  57           HB       VAL  57 -20.190  14.458  14.458
  434   1HG1  VAL  57          3HG1      VAL  57 -17.890  13.659  13.659
  435   2HG1  VAL  57          1HG1      VAL  57 -18.105  12.437  12.437
  436   3HG1  VAL  57          2HG1      VAL  57 -18.140  14.169  14.169
  437   1HG2  VAL  57          3HG2      VAL  57 -21.746  13.229  13.229
  438   2HG2  VAL  57          1HG2      VAL  57 -20.377  13.854  13.854
  439   3HG2  VAL  57          2HG2      VAL  57 -20.439  12.132  12.132
  440    H    LYS  58           HN       LYS  58 -18.641  11.371  11.371
  441    HA   LYS  58           HA       LYS  58 -19.343  13.124  13.124
  442   1HB   LYS  58          2HB       LYS  58 -17.820  10.537  10.537
  443   2HB   LYS  58          3HB       LYS  58 -17.681  11.514  11.514
  444   1HG   LYS  58          2HG       LYS  58 -20.434  10.871  10.871
  445   2HG   LYS  58          3HG       LYS  58 -19.566   9.647   9.647
  446   1HD   LYS  58          2HD       LYS  58 -19.417  12.239  12.239
  447   2HD   LYS  58          3HD       LYS  58 -21.085  11.796  11.796
  448   1HE   LYS  58          2HE       LYS  58 -20.137   9.388   9.388
  449   2HE   LYS  58          3HE       LYS  58 -19.055  10.462  10.462
  450   1HZ   LYS  58          2HZ       LYS  58 -21.376  11.658  11.658
  451   2HZ   LYS  58          3HZ       LYS  58 -21.884  10.108  10.108
  452   3HZ   LYS  58          1HZ       LYS  58 -20.761  10.536  10.536
  453    H    HIS  59           HN       HIS  59 -17.749  14.363  14.363
  454    HA   HIS  59           HA       HIS  59 -15.223  14.732  14.732
  455   1HB   HIS  59          2HB       HIS  59 -16.931  17.122  17.122
  456   2HB   HIS  59          3HB       HIS  59 -15.443  17.088  17.088
  457    HD1  HIS  59           HD1      HIS  59 -15.710  17.070  17.070
  458    HD2  HIS  59           HD2      HIS  59 -19.144  15.687  15.687
  459    HE1  HIS  59           HE1      HIS  59 -17.470  16.693  16.693
  460    H    TYR  60           HN       TYR  60 -13.666  14.506  14.506
  461    HA   TYR  60           HA       TYR  60 -14.377  15.268  15.268
  462   1HB   TYR  60          2HB       TYR  60 -12.140  13.448  13.448
  463   2HB   TYR  60          3HB       TYR  60 -12.712  13.522  13.522
  464    HD1  TYR  60           HD1      TYR  60 -15.020  12.634  12.634
  465    HD2  TYR  60           HD2      TYR  60 -13.168  12.010  12.010
  466    HE1  TYR  60           HE1      TYR  60 -16.630  10.726  10.726
  467    HE2  TYR  60           HE2      TYR  60 -14.784  10.104  10.104
  468    HH   TYR  60           HH       TYR  60 -16.193   8.450   8.450
  469    H    LYS  61           HN       LYS  61 -13.285  16.926  16.926
  470    HA   LYS  61           HA       LYS  61 -11.361  18.340  18.340
  471   1HB   LYS  61          2HB       LYS  61 -11.408  19.942  19.942
  472   2HB   LYS  61          3HB       LYS  61 -13.050  19.395  19.395
  473   1HG   LYS  61          2HG       LYS  61 -13.211  18.689  18.689
  474   2HG   LYS  61          3HG       LYS  61 -11.833  17.628  17.628
  475   1HD   LYS  61          2HD       LYS  61 -10.363  19.105  19.105
  476   2HD   LYS  61          3HD       LYS  61 -11.126  20.509  20.509
  477   1HE   LYS  61          2HE       LYS  61 -12.852  19.144  19.144
  478   2HE   LYS  61          3HE       LYS  61 -11.350  19.731  19.731
  479   1HZ   LYS  61          2HZ       LYS  61 -12.163  21.766  21.766
  480   2HZ   LYS  61          3HZ       LYS  61 -13.575  21.207  21.207
  481   3HZ   LYS  61          1HZ       LYS  61 -12.384  21.670  21.670
  482    H    ILE  62           HN       ILE  62  -9.121  18.613  18.613
  483    HA   ILE  62           HA       ILE  62  -7.994  16.532  16.532
  484    HB   ILE  62           HB       ILE  62  -7.132  17.548  17.548
  485   1HG1  ILE  62          2HG1      ILE  62  -7.297  14.675  14.675
  486   2HG1  ILE  62          3HG1      ILE  62  -8.772  15.542  15.542
  487   1HG2  ILE  62          3HG2      ILE  62  -5.188  17.569  17.569
  488   2HG2  ILE  62          1HG2      ILE  62  -5.463  15.837  15.837
  489   3HG2  ILE  62          2HG2      ILE  62  -5.035  16.394  16.394
  490   1HD1  ILE  62          1HD1      ILE  62  -6.514  15.858  15.858
  491   2HD1  ILE  62          2HD1      ILE  62  -7.313  14.269  14.269
  492   3HD1  ILE  62          3HD1      ILE  62  -8.264  15.730  15.730
  493    H    ARG  63           HN       ARG  63  -7.429  17.538  17.538
  494    HA   ARG  63           HA       ARG  63  -6.411  20.223  20.223
  495   1HB   ARG  63          2HB       ARG  63  -7.295  18.440  18.440
  496   2HB   ARG  63          3HB       ARG  63  -6.382  19.901  19.901
  497   1HG   ARG  63          2HG       ARG  63  -8.590  20.374  20.374
  498   2HG   ARG  63          3HG       ARG  63  -9.163  19.730  19.730
  499   1HD   ARG  63          2HD       ARG  63  -7.466  21.569  21.569
  500   2HD   ARG  63          3HD       ARG  63  -7.736  22.331  22.331
  501    HE   ARG  63           HE       ARG  63 -10.272  21.548  21.548
  502   1HH1  ARG  63          2HH2      ARG  63  -7.697  23.871  23.871
  503   2HH1  ARG  63          1HH2      ARG  63  -8.745  25.040  25.040
  504   1HH2  ARG  63          2HH1      ARG  63 -11.656  23.089  23.089
  505   2HH2  ARG  63          1HH1      ARG  63 -11.012  24.592  24.592
  506    H    THR  64           HN       THR  64  -4.378  20.803  20.803
  507    HA   THR  64           HA       THR  64  -2.463  18.565  18.565
  508    HB   THR  64           HB       THR  64  -0.796  20.343  20.343
  509    HG1  THR  64           HG1      THR  64  -1.523  22.480  22.480
  510   1HG2  THR  64          3HG2      THR  64  -2.884  19.503  19.503
  511   2HG2  THR  64          1HG2      THR  64  -2.864  21.276  21.276
  512   3HG2  THR  64          2HG2      THR  64  -1.390  20.337  20.337
  513    H    LEU  65           HN       LEU  65  -0.731  18.545  18.545
  514    HA   LEU  65           HA       LEU  65  -1.741  19.542  19.542
  515   1HB   LEU  65          2HB       LEU  65   0.332  17.456  17.456
  516   2HB   LEU  65          3HB       LEU  65  -0.065  17.958  17.958
  517    HG   LEU  65           HG       LEU  65  -2.262  16.964  16.964
  518   1HD1  LEU  65          2HD1      LEU  65  -0.333  15.363  15.363
  519   2HD1  LEU  65          3HD1      LEU  65  -0.473  15.091  15.091
  520   3HD1  LEU  65          1HD1      LEU  65  -1.828  14.675  14.675
  521   1HD2  LEU  65          1HD2      LEU  65  -1.741  17.170  17.170
  522   2HD2  LEU  65          2HD2      LEU  65  -3.146  17.708  17.708
  523   3HD2  LEU  65          3HD2      LEU  65  -2.906  15.976  15.976
  524    H    ASP  66           HN       ASP  66  -0.397  20.742  20.742
  525    HA   ASP  66           HA       ASP  66   0.967  22.775  22.775
  526   1HB   ASP  66          2HB       ASP  66   1.035  21.497  21.497
  527   2HB   ASP  66          3HB       ASP  66   2.176  22.781  22.781
  528    H    ASN  67           HN       ASN  67   2.172  19.614  19.614
  529    HA   ASN  67           HA       ASN  67   4.618  20.083  20.083
  530   1HB   ASN  67          2HB       ASN  67   5.872  18.925  18.925
  531   2HB   ASN  67          3HB       ASN  67   5.297  20.541  20.541
  532   1HD2  ASN  67          2HD2      ASN  67   3.003  19.651  19.651
  533   2HD2  ASN  67          1HD2      ASN  67   3.627  20.872  20.872
  534    H    GLY  68           HN       GLY  68   2.977  18.627  18.627
  535   1HA   GLY  68          1HA       GLY  68   3.806  15.871  15.871
  536   2HA   GLY  68          2HA       GLY  68   2.091  16.158  16.158
  537    H    GLY  69           HN       GLY  69   0.952  15.668  15.668
  538   1HA   GLY  69          1HA       GLY  69   1.991  16.674  16.674
  539   2HA   GLY  69          2HA       GLY  69   1.523  14.993  14.993
  540    H    PHE  70           HN       PHE  70  -0.532  14.508  14.508
  541    HA   PHE  70           HA       PHE  70  -2.563  16.579  16.579
  542   1HB   PHE  70          2HB       PHE  70  -2.234  14.674  14.674
  543   2HB   PHE  70          3HB       PHE  70  -3.452  15.926  15.926
  544    HD1  PHE  70           HD2      PHE  70   0.175  15.335  15.335
  545    HD2  PHE  70           HD1      PHE  70  -2.977  18.167  18.167
  546    HE1  PHE  70           HE2      PHE  70   1.714  16.959  16.959
  547    HE2  PHE  70           HE1      PHE  70  -1.439  19.791  19.791
  548   1HZ   PHE  70           HZ       PHE  70   0.889  19.168  19.168
  549    H    TYR  71           HN       TYR  71  -4.536  15.847  15.847
  550    HA   TYR  71           HA       TYR  71  -4.934  12.945  12.945
  551   1HB   TYR  71          2HB       TYR  71  -5.444  13.139  13.139
  552   2HB   TYR  71          3HB       TYR  71  -3.901  13.933  13.933
  553    HD1  TYR  71           HD2      TYR  71  -3.838  16.472  16.472
  554    HD2  TYR  71           HD1      TYR  71  -7.310  14.325  14.325
  555    HE1  TYR  71           HE2      TYR  71  -4.766  18.590  18.590
  556    HE2  TYR  71           HE1      TYR  71  -8.226  16.450  16.450
  557    HH   TYR  71           HH       TYR  71  -7.001  19.480  19.480
  558    H    ILE  72           HN       ILE  72  -7.147  12.283  12.283
  559    HA   ILE  72           HA       ILE  72  -8.981  14.463  14.463
  560    HB   ILE  72           HB       ILE  72  -9.053  11.524  11.524
  561   1HG1  ILE  72          2HG1      ILE  72  -8.293  13.997  13.997
  562   2HG1  ILE  72          3HG1      ILE  72  -7.371  12.526  12.526
  563   1HG2  ILE  72          1HG2      ILE  72 -11.263  12.982  12.982
  564   2HG2  ILE  72          2HG2      ILE  72 -10.886  13.477  13.477
  565   3HG2  ILE  72          3HG2      ILE  72 -11.119  11.755  11.755
  566   1HD1  ILE  72          1HD1      ILE  72  -9.799  11.657  11.657
  567   2HD1  ILE  72          2HD1      ILE  72  -9.364  13.141  13.141
  568   3HD1  ILE  72          3HD1      ILE  72  -8.216  11.783  11.783
  569    H    SER  73           HN       SER  73  -8.618  11.410  11.410
  570    HA   SER  73           HA       SER  73 -10.829  12.394  12.394
  571   1HB   SER  73          2HB       SER  73 -11.544  10.346  10.346
  572   2HB   SER  73          3HB       SER  73  -9.997   9.569   9.569
  573    HG   SER  73           HG       SER  73 -10.686   8.923   8.923
  574    HA   PRO  74           HA       PRO  74  -7.968  12.395  12.395
  575   1HB   PRO  74          2HB       PRO  74  -9.640  12.350  12.350
  576   2HB   PRO  74          3HB       PRO  74  -9.287  13.807  13.807
  577   1HG   PRO  74          2HG       PRO  74 -11.738  12.154  12.154
  578   2HG   PRO  74          3HG       PRO  74 -11.520  13.803  13.803
  579   1HD   PRO  74          2HD       PRO  74 -11.709  11.456  11.456
  580   2HD   PRO  74          3HD       PRO  74 -11.376  13.089  13.089
  581    H    ARG  75           HN       ARG  75  -7.715  10.059  10.059
  582    HA   ARG  75           HA       ARG  75  -7.639   8.364   8.364
  583   1HB   ARG  75          2HB       ARG  75  -8.638   7.467   7.467
  584   2HB   ARG  75          3HB       ARG  75  -8.395   6.404   6.404
  585   1HG   ARG  75          2HG       ARG  75 -10.165   8.830   8.830
  586   2HG   ARG  75          3HG       ARG  75 -10.801   7.451   7.451
  587   1HD   ARG  75          2HD       ARG  75  -9.832   6.085   6.085
  588   2HD   ARG  75          3HD       ARG  75  -9.970   7.638   7.638
  589    HE   ARG  75           HE       ARG  75 -12.425   7.416   7.416
  590   1HH1  ARG  75          2HH2      ARG  75 -10.569   5.198   5.198
  591   2HH1  ARG  75          1HH2      ARG  75 -11.969   4.421   4.421
  592   1HH2  ARG  75          2HH1      ARG  75 -14.273   6.391   6.391
  593   2HH2  ARG  75          1HH1      ARG  75 -14.090   5.104   5.104
  594    H    SER  76           HN       SER  76  -6.907   8.247   8.247
  595    HA   SER  76           HA       SER  76  -4.167   7.600   7.600
  596   1HB   SER  76          2HB       SER  76  -6.005   6.329   6.329
  597   2HB   SER  76          3HB       SER  76  -4.314   6.458   6.458
  598    HG   SER  76           HG       SER  76  -5.332   4.536   4.536
  599    H    THR  77           HN       THR  77  -2.694   9.097   9.097
  600    HA   THR  77           HA       THR  77  -3.580  10.897  10.897
  601    HB   THR  77           HB       THR  77  -1.963  12.481  12.481
  602    HG1  THR  77           HG1      THR  77  -0.381  11.115  11.115
  603   1HG2  THR  77          3HG2      THR  77  -3.641  11.075  11.075
  604   2HG2  THR  77          1HG2      THR  77  -2.949  12.710  12.710
  605   3HG2  THR  77          2HG2      THR  77  -4.232  12.375  12.375
  606    H    PHE  78           HN       PHE  78  -1.715  11.785  11.785
  607    HA   PHE  78           HA       PHE  78   0.308   9.733   9.733
  608   1HB   PHE  78          2HB       PHE  78  -1.403  11.032  11.032
  609   2HB   PHE  78          3HB       PHE  78  -0.279   9.704   9.704
  610    HD1  PHE  78           HD1      PHE  78  -3.404  10.563  10.563
  611    HD2  PHE  78           HD2      PHE  78  -1.089   7.534   7.534
  612    HE1  PHE  78           HE1      PHE  78  -5.275   8.924   8.924
  613    HE2  PHE  78           HE2      PHE  78  -2.960   5.896   5.896
  614   1HZ   PHE  78           HZ       PHE  78  -5.031   6.610   6.610
  615    H    SER  79           HN       SER  79   2.286  10.545  10.545
  616    HA   SER  79           HA       SER  79   2.618  13.323  13.323
  617   1HB   SER  79          2HB       SER  79   4.420  11.012  11.012
  618   2HB   SER  79          3HB       SER  79   5.010  12.655  12.655
  619    HG   SER  79           HG       SER  79   4.273  11.220  11.220
  620    H    THR  80           HN       THR  80   2.148  11.096  11.096
  621    HA   THR  80           HA       THR  80   2.260  13.413  13.413
  622    HB   THR  80           HB       THR  80   3.304  11.867  11.867
  623    HG1  THR  80           HG1      THR  80   3.849   9.746   9.746
  624   1HG2  THR  80          1HG2      THR  80   4.618  12.972  12.972
  625   2HG2  THR  80          2HG2      THR  80   5.159  11.277  11.277
  626   3HG2  THR  80          3HG2      THR  80   5.403  12.329  12.329
  627    H    LEU  81           HN       LEU  81   0.817  13.356  13.356
  628    HA   LEU  81           HA       LEU  81  -1.633  12.061  12.061
  629   1HB   LEU  81          2HB       LEU  81  -0.696  13.969  13.969
  630   2HB   LEU  81          3HB       LEU  81  -2.208  13.117  13.117
  631    HG   LEU  81           HG       LEU  81  -1.597  14.779  14.779
  632   1HD1  LEU  81          2HD1      LEU  81  -1.915  15.770  15.770
  633   2HD1  LEU  81          3HD1      LEU  81  -3.542  15.905  15.905
  634   3HD1  LEU  81          1HD1      LEU  81  -2.151  16.665  16.665
  635   1HD2  LEU  81          2HD2      LEU  81  -4.160  13.574  13.574
  636   2HD2  LEU  81          3HD2      LEU  81  -3.304  13.145  13.145
  637   3HD2  LEU  81          1HD2      LEU  81  -4.073  14.742  14.742
  638    H    GLN  82           HN       GLN  82   1.166  11.366  11.366
  639    HA   GLN  82           HA       GLN  82  -0.105   9.666   9.666
  640   1HB   GLN  82          2HB       GLN  82   2.294  10.716  10.716
  641   2HB   GLN  82          3HB       GLN  82   2.766   9.319   9.319
  642   1HG   GLN  82          2HG       GLN  82   1.486   9.285   9.285
  643   2HG   GLN  82          3HG       GLN  82   3.140   8.855   8.855
  644   1HE2  GLN  82          2HE2      GLN  82   0.355   6.046   6.046
  645   2HE2  GLN  82          1HE2      GLN  82   0.330   7.589   7.589
  646    H    GLU  83           HN       GLU  83   1.318   9.184   9.184
  647    HA   GLU  83           HA       GLU  83   1.100   6.377   6.377
  648   1HB   GLU  83          2HB       GLU  83   1.477   8.323   8.323
  649   2HB   GLU  83          3HB       GLU  83   1.476   6.584   6.584
  650   1HG   GLU  83          2HG       GLU  83   3.299   7.876   7.876
  651   2HG   GLU  83          3HG       GLU  83   3.768   7.822   7.822
  652    H    LEU  84           HN       LEU  84  -1.092   9.028   9.028
  653    HA   LEU  84           HA       LEU  84  -2.928   7.384   7.384
  654   1HB   LEU  84          2HB       LEU  84  -2.796   9.635   9.635
  655   2HB   LEU  84          3HB       LEU  84  -2.921  10.224  10.224
  656    HG   LEU  84           HG       LEU  84  -5.192   8.742   8.742
  657   1HD1  LEU  84          2HD1      LEU  84  -4.474  11.666  11.666
  658   2HD1  LEU  84          3HD1      LEU  84  -6.143  11.079  11.079
  659   3HD1  LEU  84          1HD1      LEU  84  -4.866  10.513  10.513
  660   1HD2  LEU  84          1HD2      LEU  84  -4.741   9.945   9.945
  661   2HD2  LEU  84          2HD2      LEU  84  -6.076   8.912   8.912
  662   3HD2  LEU  84          3HD2      LEU  84  -6.146  10.674  10.674
  663    H    VAL  85           HN       VAL  85  -2.353   8.422   8.422
  664    HA   VAL  85           HA       VAL  85  -4.927   7.735   7.735
  665    HB   VAL  85           HB       VAL  85  -2.236   8.268   8.268
  666   1HG1  VAL  85          1HG1      VAL  85  -4.596   6.968   6.968
  667   2HG1  VAL  85          2HG1      VAL  85  -3.764   8.245   8.245
  668   3HG1  VAL  85          3HG1      VAL  85  -2.860   6.816   6.816
  669   1HG2  VAL  85          3HG2      VAL  85  -4.752   9.744   9.744
  670   2HG2  VAL  85          1HG2      VAL  85  -3.081  10.337  10.337
  671   3HG2  VAL  85          2HG2      VAL  85  -4.037   9.976   9.976
  672    H    ASP  86           HN       ASP  86  -1.831   5.988   5.988
  673    HA   ASP  86           HA       ASP  86  -2.691   3.722   3.722
  674   1HB   ASP  86          2HB       ASP  86  -0.496   4.169   4.169
  675   2HB   ASP  86          3HB       ASP  86  -0.725   2.633   2.633
  676    H    HIS  87           HN       HIS  87  -2.465   4.705   4.705
  677    HA   HIS  87           HA       HIS  87  -3.187   2.332   2.332
  678   1HB   HIS  87          2HB       HIS  87  -2.352   4.165   4.165
  679   2HB   HIS  87          3HB       HIS  87  -3.688   5.198   5.198
  680    HD1  HIS  87           HD1      HIS  87  -2.647   3.754   3.754
  681    HD2  HIS  87           HD2      HIS  87  -6.253   3.388   3.388
  682    HE1  HIS  87           HE1      HIS  87  -4.390   2.978   2.978
  683    H    TYR  88           HN       TYR  88  -5.222   4.884   4.884
  684    HA   TYR  88           HA       TYR  88  -7.670   3.689   3.689
  685   1HB   TYR  88          2HB       TYR  88  -6.669   5.778   5.778
  686   2HB   TYR  88          3HB       TYR  88  -8.362   5.327   5.327
  687    HD1  TYR  88           HD1      TYR  88  -6.793   5.224   5.224
  688    HD2  TYR  88           HD2      TYR  88  -8.765   7.788   7.788
  689    HE1  TYR  88           HE1      TYR  88  -7.252   6.905   6.905
  690    HE2  TYR  88           HE2      TYR  88  -9.217   9.460   9.460
  691    HH   TYR  88           HH       TYR  88  -9.205   9.783   9.783
  692    H    LYS  89           HN       LYS  89  -5.421   3.263   3.263
  693    HA   LYS  89           HA       LYS  89  -7.329   2.035   2.035
  694   1HB   LYS  89          2HB       LYS  89  -4.343   2.391   2.391
  695   2HB   LYS  89          3HB       LYS  89  -5.082   1.266   1.266
  696   1HG   LYS  89          2HG       LYS  89  -6.693   3.605   3.605
  697   2HG   LYS  89          3HG       LYS  89  -5.041   4.190   4.190
  698   1HD   LYS  89          2HD       LYS  89  -5.306   1.872   1.872
  699   2HD   LYS  89          3HD       LYS  89  -6.400   3.161   3.161
  700   1HE   LYS  89          2HE       LYS  89  -4.678   4.323   4.323
  701   2HE   LYS  89          3HE       LYS  89  -3.883   4.390   4.390
  702   1HZ   LYS  89          1HZ       LYS  89  -3.086   2.094   2.094
  703   2HZ   LYS  89          2HZ       LYS  89  -3.612   2.309   2.309
  704   3HZ   LYS  89          3HZ       LYS  89  -2.447   3.279   3.279
  705    H    LYS  90           HN       LYS  90  -5.346   1.034   1.034
  706    HA   LYS  90           HA       LYS  90  -5.524  -1.757  -1.757
  707   1HB   LYS  90          2HB       LYS  90  -4.283  -0.121  -0.121
  708   2HB   LYS  90          3HB       LYS  90  -4.621  -1.809  -1.809
  709   1HG   LYS  90          2HG       LYS  90  -2.979  -2.546  -2.546
  710   2HG   LYS  90          3HG       LYS  90  -3.379  -1.367  -1.367
  711   1HD   LYS  90          2HD       LYS  90  -1.905   0.222   0.222
  712   2HD   LYS  90          3HD       LYS  90  -2.137  -0.268  -0.268
  713   1HE   LYS  90          2HE       LYS  90  -0.753  -2.294  -2.294
  714   2HE   LYS  90          3HE       LYS  90  -0.582  -1.896  -1.896
  715   1HZ   LYS  90          2HZ       LYS  90   0.175   0.169   0.169
  716   2HZ   LYS  90          3HZ       LYS  90   1.141  -1.147  -1.147
  717   3HZ   LYS  90          1HZ       LYS  90   0.886  -0.287  -0.287
  718    H    GLY  91           HN       GLY  91  -7.325   0.671   0.671
  719   1HA   GLY  91          1HA       GLY  91  -9.659  -0.824  -0.824
  720   2HA   GLY  91          2HA       GLY  91  -8.799  -1.127  -1.127
  721    H    ASN  92           HN       ASN  92 -11.345   0.285   0.285
  722    HA   ASN  92           HA       ASN  92 -11.094   3.002   3.002
  723   1HB   ASN  92          2HB       ASN  92 -13.188   2.912   2.912
  724   2HB   ASN  92          3HB       ASN  92 -13.310   2.089   2.089
  725   1HD2  ASN  92          2HD2      ASN  92 -14.212   0.092   0.092
  726   2HD2  ASN  92          1HD2      ASN  92 -14.316   1.794   1.794
  727    H    ASP  93           HN       ASP  93 -10.918   0.646   0.646
  728    HA   ASP  93           HA       ASP  93 -10.370   0.895   0.895
  729   1HB   ASP  93          2HB       ASP  93  -8.162   1.026   1.026
  730   2HB   ASP  93          3HB       ASP  93  -8.164   2.738   2.738
  731    H    GLY  94           HN       GLY  94 -12.416   2.725   2.725
  732   1HA   GLY  94          1HA       GLY  94 -12.732   4.420   4.420
  733   2HA   GLY  94          2HA       GLY  94 -11.580   5.344   5.344
  734    H    LEU  95           HN       LEU  95 -12.288   4.873   4.873
  735    HA   LEU  95           HA       LEU  95 -14.549   6.521   6.521
  736   1HB   LEU  95          2HB       LEU  95 -13.226   4.823   4.823
  737   2HB   LEU  95          3HB       LEU  95 -14.226   6.240   6.240
  738    HG   LEU  95           HG       LEU  95 -11.566   6.301   6.301
  739   1HD1  LEU  95          2HD1      LEU  95 -11.700   5.624   5.624
  740   2HD1  LEU  95          3HD1      LEU  95 -11.848   7.387   7.387
  741   3HD1  LEU  95          1HD1      LEU  95 -10.432   6.699   6.699
  742   1HD2  LEU  95          3HD2      LEU  95 -13.295   8.118   8.118
  743   2HD2  LEU  95          1HD2      LEU  95 -11.687   8.650   8.650
  744   3HD2  LEU  95          2HD2      LEU  95 -13.051   8.612   8.612
  745    H    CYS  96           HN       CYS  96 -16.249   5.635   5.635
  746    HA   CYS  96           HA       CYS  96 -17.597   3.510   3.510
  747   1HB   CYS  96          2HB       CYS  96 -19.545   4.108   4.108
  748   2HB   CYS  96          3HB       CYS  96 -18.871   5.524   5.524
  749    HG   CYS  96           HG       CYS  96 -19.760   5.812   5.812
  750    H    GLN  97           HN       GLN  97 -15.821   4.210   4.210
  751    HA   GLN  97           HA       GLN  97 -15.981   1.397   1.397
  752   1HB   GLN  97          2HB       GLN  97 -16.547   3.565   3.565
  753   2HB   GLN  97          3HB       GLN  97 -16.456   1.844   1.844
  754   1HG   GLN  97          2HG       GLN  97 -18.363   1.494   1.494
  755   2HG   GLN  97          3HG       GLN  97 -18.493   3.233   3.233
  756   1HE2  GLN  97          2HE2      GLN  97 -19.783   3.848   3.848
  757   2HE2  GLN  97          1HE2      GLN  97 -18.779   4.491   4.491
  758    H    LYS  98           HN       LYS  98 -14.095   0.595   0.595
  759    HA   LYS  98           HA       LYS  98 -11.774   2.134   2.134
  760   1HB   LYS  98          2HB       LYS  98 -10.600   0.221   0.221
  761   2HB   LYS  98          3HB       LYS  98 -11.836  -0.308  -0.308
  762   1HG   LYS  98          2HG       LYS  98 -13.278  -0.311  -0.311
  763   2HG   LYS  98          3HG       LYS  98 -11.680  -0.676  -0.676
  764   1HD   LYS  98          2HD       LYS  98 -11.702  -2.783  -2.783
  765   2HD   LYS  98          3HD       LYS  98 -12.265  -2.221  -2.221
  766   1HE   LYS  98          2HE       LYS  98 -14.599  -1.950  -1.950
  767   2HE   LYS  98          3HE       LYS  98 -13.946  -2.875  -2.875
  768   1HZ   LYS  98          2HZ       LYS  98 -13.517  -3.980  -3.980
  769   2HZ   LYS  98          3HZ       LYS  98 -15.062  -3.983  -3.983
  770   3HZ   LYS  98          1HZ       LYS  98 -13.899  -4.733  -4.733
  771    H    LEU  99           HN       LEU  99 -10.092   2.487   2.487
  772    HA   LEU  99           HA       LEU  99 -11.464   3.944   3.944
  773   1HB   LEU  99          2HB       LEU  99  -8.645   3.880   3.880
  774   2HB   LEU  99          3HB       LEU  99  -9.040   4.663   4.663
  775    HG   LEU  99           HG       LEU  99 -10.012   5.392   5.392
  776   1HD1  LEU  99          1HD1      LEU  99  -7.768   6.181   6.181
  777   2HD1  LEU  99          2HD1      LEU  99  -8.488   6.998   6.998
  778   3HD1  LEU  99          3HD1      LEU  99  -8.924   7.513   7.513
  779   1HD2  LEU  99          2HD2      LEU  99 -11.267   5.914   5.914
  780   2HD2  LEU  99          3HD2      LEU  99 -11.955   5.953   5.953
  781   3HD2  LEU  99          1HD2      LEU  99 -11.035   7.348   7.348
  782    H    SER 100           HN       SER 100 -11.394   3.450   3.450
  783    HA   SER 100           HA       SER 100 -10.355   0.802   0.802
  784   1HB   SER 100          2HB       SER 100 -11.800   0.850   0.850
  785   2HB   SER 100          3HB       SER 100 -12.729   1.263   1.263
  786    HG   SER 100           HG       SER 100 -13.249   2.741   2.741
  787    H    VAL 101           HN       VAL 101 -10.812   3.680   3.680
  788    HA   VAL 101           HA       VAL 101  -7.933   3.674   3.674
  789    HB   VAL 101           HB       VAL 101  -8.632   4.016   4.016
  790   1HG1  VAL 101          2HG1      VAL 101  -8.468   1.425   1.425
  791   2HG1  VAL 101          3HG1      VAL 101  -8.762   1.412   1.412
  792   3HG1  VAL 101          1HG1      VAL 101  -7.288   2.170   2.170
  793   1HG2  VAL 101          3HG2      VAL 101 -11.074   2.602   2.602
  794   2HG2  VAL 101          1HG2      VAL 101 -11.017   4.153   4.153
  795   3HG2  VAL 101          2HG2      VAL 101 -10.642   2.638   2.638
  796    HA   PRO 102           HA       PRO 102  -8.546   7.948   7.948
  797   1HB   PRO 102          2HB       PRO 102  -6.362   8.868   8.868
  798   2HB   PRO 102          3HB       PRO 102  -6.297   8.338   8.338
  799   1HG   PRO 102          2HG       PRO 102  -5.338   6.946   6.946
  800   2HG   PRO 102          3HG       PRO 102  -4.916   6.651   6.651
  801   1HD   PRO 102          2HD       PRO 102  -6.699   5.094   5.094
  802   2HD   PRO 102          3HD       PRO 102  -6.365   4.868   4.868
  803    H    CYS 103           HN       CYS 103  -9.312   9.837   9.837
  804    HA   CYS 103           HA       CYS 103 -10.983   9.418   9.418
  805   1HB   CYS 103          2HB       CYS 103 -10.677  11.525  11.525
  806   2HB   CYS 103          3HB       CYS 103  -9.423  12.001  12.001
  807    HG   CYS 103           HG       CYS 103 -12.072  12.977  12.977
  808    H    MET 104           HN       MET 104 -10.889   9.775   9.775
  809    HA   MET 104           HA       MET 104  -8.411   8.846   8.846
  810   1HB   MET 104          2HB       MET 104 -11.050   9.677   9.677
  811   2HB   MET 104          3HB       MET 104  -9.738   8.869   8.869
  812   1HG   MET 104          2HG       MET 104 -10.217   7.275   7.275
  813   2HG   MET 104          3HG       MET 104 -11.812   7.723   7.723
  814   1HE   MET 104          1HE       MET 104  -8.432   6.549   6.549
  815   2HE   MET 104          2HE       MET 104  -9.028   4.874   4.874
  816   3HE   MET 104          3HE       MET 104  -8.463   5.692   5.692
  817    H    SER 105           HN       SER 105  -7.418   9.906   9.906
  818    HA   SER 105           HA       SER 105  -6.922  12.612  12.612
  819   1HB   SER 105          2HB       SER 105  -5.336  10.799  10.799
  820   2HB   SER 105          3HB       SER 105  -6.065  11.248  11.248
  821    HG   SER 105           HG       SER 105  -5.000  13.265  13.265
  822    H    SER 106           HN       SER 106  -8.923  13.753  13.753
  823    HA   SER 106           HA       SER 106  -9.879  13.780  13.780
  824   1HB   SER 106          2HB       SER 106 -11.325  14.521  14.521
  825   2HB   SER 106          3HB       SER 106 -12.017  14.678  14.678
  826    HG   SER 106           HG       SER 106 -11.781  12.364  12.364
  827    H    LYS 107           HN       LYS 107  -9.695  15.685  15.685
  828    HA   LYS 107           HA       LYS 107  -9.791  18.220  18.220
  829   1HB   LYS 107          2HB       LYS 107  -7.496  18.950  18.950
  830   2HB   LYS 107          3HB       LYS 107  -7.582  17.587  17.587
  831   1HG   LYS 107          2HG       LYS 107  -7.016  16.082  16.082
  832   2HG   LYS 107          3HG       LYS 107  -6.672  17.551  17.551
  833   1HD   LYS 107          2HD       LYS 107  -5.366  17.426  17.426
  834   2HD   LYS 107          3HD       LYS 107  -4.838  16.176  16.176
  835   1HE   LYS 107          2HE       LYS 107  -3.679  17.661  17.661
  836   2HE   LYS 107          3HE       LYS 107  -5.020  18.788  18.788
  837   1HZ   LYS 107          1HZ       LYS 107  -4.062  18.864  18.864
  838   2HZ   LYS 107          2HZ       LYS 107  -2.735  18.873  18.873
  839   3HZ   LYS 107          3HZ       LYS 107  -3.889  20.011  20.011

  Start of MODEL   11
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.990  -0.552  -0.552
    3   1HB   MET   1          2HB       MET   1   0.199  -0.406  -0.406
    4   2HB   MET   1          3HB       MET   1   1.574  -0.335  -0.335
    5   1HG   MET   1          2HG       MET   1   2.437  -2.487  -2.487
    6   2HG   MET   1          3HG       MET   1   1.042  -2.561  -2.561
    7   1HE   MET   1          3HE       MET   1   2.597  -3.963  -3.963
    8   2HE   MET   1          1HE       MET   1   1.380  -4.822  -4.822
    9   3HE   MET   1          2HE       MET   1   2.040  -3.270  -3.270
   10    H    GLU   2           HN       GLU   2   3.879   0.738   0.738
   11    HA   GLU   2           HA       GLU   2   4.710   2.615   2.615
   12   1HB   GLU   2          2HB       GLU   2   1.904   3.769   3.769
   13   2HB   GLU   2          3HB       GLU   2   3.152   4.315   4.315
   14   1HG   GLU   2          2HG       GLU   2   2.523   2.782   2.782
   15   2HG   GLU   2          3HG       GLU   2   2.776   1.476   1.476
   16    H    THR   3           HN       THR   3   6.166   3.337   3.337
   17    HA   THR   3           HA       THR   3   5.257   5.546   5.546
   18    HB   THR   3           HB       THR   3   6.476   4.340   4.340
   19    HG1  THR   3           HG1      THR   3   6.176   1.939   1.939
   20   1HG2  THR   3          2HG2      THR   3   3.879   4.605   4.605
   21   2HG2  THR   3          3HG2      THR   3   3.941   2.913   2.913
   22   3HG2  THR   3          1HG2      THR   3   4.448   3.330   3.330
   23    H    GLU   4           HN       GLU   4   6.573   7.124   7.124
   24    HA   GLU   4           HA       GLU   4   9.367   6.714   6.714
   25   1HB   GLU   4          2HB       GLU   4   8.138   6.763   6.763
   26   2HB   GLU   4          3HB       GLU   4   9.556   7.772   7.772
   27   1HG   GLU   4          2HG       GLU   4  10.839   5.920   5.920
   28   2HG   GLU   4          3HG       GLU   4  10.228   5.347   5.347
   29    H    GLU   5           HN       GLU   5   9.691   8.471   8.471
   30    HA   GLU   5           HA       GLU   5   8.612  10.994  10.994
   31   1HB   GLU   5          2HB       GLU   5   8.836   9.924   9.924
   32   2HB   GLU   5          3HB       GLU   5   8.748  11.649  11.649
   33   1HG   GLU   5          2HG       GLU   5   6.603  11.379  11.379
   34   2HG   GLU   5          3HG       GLU   5   6.706   9.635   9.635
   35    H    TRP   6           HN       TRP   6  11.037  10.149  10.149
   36    HA   TRP   6           HA       TRP   6  13.173  11.105  11.105
   37   1HB   TRP   6          2HB       TRP   6  14.507  10.677  10.677
   38   2HB   TRP   6          3HB       TRP   6  13.795   9.300   9.300
   39    HD1  TRP   6           HD1      TRP   6  12.229   7.771   7.771
   40    HE1  TRP   6           HE1      TRP   6  11.222   7.794   7.794
   41    HE3  TRP   6           HE3      TRP   6  13.638  12.531  12.531
   42    HZ2  TRP   6           HZ2      TRP   6  11.130   9.756   9.756
   43    HZ3  TRP   6           HZ3      TRP   6  13.050  13.424  13.424
   44    HH2  TRP   6           HH2      TRP   6  11.840  12.119  12.119
   45    H    PHE   7           HN       PHE   7  10.768  12.422  12.422
   46    HA   PHE   7           HA       PHE   7  12.441  14.747  14.747
   47   1HB   PHE   7          2HB       PHE   7  11.242  13.635  13.635
   48   2HB   PHE   7          3HB       PHE   7   9.735  13.674  13.674
   49    HD1  PHE   7           HD2      PHE   7  12.313  16.284  16.284
   50    HD2  PHE   7           HD1      PHE   7   8.252  15.093  15.093
   51    HE1  PHE   7           HE2      PHE   7  11.747  18.493  18.493
   52    HE2  PHE   7           HE1      PHE   7   7.686  17.302  17.302
   53   1HZ   PHE   7           HZ       PHE   7   9.440  18.975  18.975
   54    H    PHE   8           HN       PHE   8  11.949  16.794  16.794
   55    HA   PHE   8           HA       PHE   8   9.649  16.888  16.888
   56   1HB   PHE   8          2HB       PHE   8  12.520  17.889  17.889
   57   2HB   PHE   8          3HB       PHE   8  11.318  18.866  18.866
   58    HD1  PHE   8           HD1      PHE   8  12.452  15.313  15.313
   59    HD2  PHE   8           HD2      PHE   8  10.884  18.431  18.431
   60    HE1  PHE   8           HE1      PHE   8  12.630  13.836  13.836
   61    HE2  PHE   8           HE2      PHE   8  11.062  16.954  16.954
   62   1HZ   PHE   8           HZ       PHE   8  11.933  14.674  14.674
   63    H    LYS   9           HN       LYS   9   8.561  18.993  18.993
   64    HA   LYS   9           HA       LYS   9   8.878  20.570  20.570
   65   1HB   LYS   9          2HB       LYS   9   6.474  19.622  19.622
   66   2HB   LYS   9          3HB       LYS   9   6.388  21.186  21.186
   67   1HG   LYS   9          2HG       LYS   9   6.176  20.223  20.223
   68   2HG   LYS   9          3HG       LYS   9   7.637  19.284  19.284
   69   1HD   LYS   9          2HD       LYS   9   6.451  17.474  17.474
   70   2HD   LYS   9          3HD       LYS   9   5.030  18.456  18.456
   71   1HE   LYS   9          2HE       LYS   9   5.697  18.396  18.396
   72   2HE   LYS   9          3HE       LYS   9   5.499  16.774  16.774
   73   1HZ   LYS   9          1HZ       LYS   9   3.453  18.104  18.104
   74   2HZ   LYS   9          2HZ       LYS   9   3.547  18.811  18.811
   75   3HZ   LYS   9          3HZ       LYS   9   3.352  17.194  17.194
   76    H    GLY  10           HN       GLY  10   8.685  22.890  22.890
   77   1HA   GLY  10          1HA       GLY  10   9.465  24.790  24.790
   78   2HA   GLY  10          2HA       GLY  10   8.161  24.466  24.466
   79    H    ILE  11           HN       ILE  11  11.656  23.865  23.865
   80    HA   ILE  11           HA       ILE  11  12.049  23.824  23.824
   81    HB   ILE  11           HB       ILE  11  12.560  21.651  21.651
   82   1HG1  ILE  11          2HG1      ILE  11  12.090  22.000  22.000
   83   2HG1  ILE  11          3HG1      ILE  11  11.145  21.115  21.115
   84   1HG2  ILE  11          1HG2      ILE  11  14.849  22.550  22.550
   85   2HG2  ILE  11          2HG2      ILE  11  14.733  22.384  22.384
   86   3HG2  ILE  11          3HG2      ILE  11  14.673  20.938  20.938
   87   1HD1  ILE  11          1HD1      ILE  11  13.943  20.325  20.325
   88   2HD1  ILE  11          2HD1      ILE  11  12.423  19.586  19.586
   89   3HD1  ILE  11          3HD1      ILE  11  12.927  19.409  19.409
   90    H    SER  12           HN       SER  12  14.234  24.493  24.493
   91    HA   SER  12           HA       SER  12  15.347  26.230  26.230
   92   1HB   SER  12          2HB       SER  12  16.048  27.701  27.701
   93   2HB   SER  12          3HB       SER  12  14.459  27.171  27.171
   94    HG   SER  12           HG       SER  12  15.322  26.277  26.277
   95    H    ARG  13           HN       ARG  13  17.845  26.607  26.607
   96    HA   ARG  13           HA       ARG  13  19.022  24.054  24.054
   97   1HB   ARG  13          2HB       ARG  13  19.774  25.955  25.955
   98   2HB   ARG  13          3HB       ARG  13  20.255  26.855  26.855
   99   1HG   ARG  13          2HG       ARG  13  21.504  24.237  24.237
  100   2HG   ARG  13          3HG       ARG  13  21.801  24.947  24.947
  101   1HD   ARG  13          2HD       ARG  13  22.232  26.541  26.541
  102   2HD   ARG  13          3HD       ARG  13  23.484  25.500  25.500
  103    HE   ARG  13           HE       ARG  13  22.573  27.119  27.119
  104   1HH1  ARG  13          2HH2      ARG  13  24.214  27.526  27.526
  105   2HH1  ARG  13          1HH2      ARG  13  25.070  28.948  28.948
  106   1HH2  ARG  13          2HH1      ARG  13  23.702  28.994  28.994
  107   2HH2  ARG  13          1HH1      ARG  13  24.777  29.788  29.788
  108    H    LYS  14           HN       LYS  14  18.583  26.497  26.497
  109    HA   LYS  14           HA       LYS  14  20.729  25.481  25.481
  110   1HB   LYS  14          2HB       LYS  14  18.672  27.669  27.669
  111   2HB   LYS  14          3HB       LYS  14  19.645  27.151  27.151
  112   1HG   LYS  14          2HG       LYS  14  21.698  27.469  27.469
  113   2HG   LYS  14          3HG       LYS  14  20.594  28.358  28.358
  114   1HD   LYS  14          2HD       LYS  14  20.051  29.895  29.895
  115   2HD   LYS  14          3HD       LYS  14  21.142  29.002  29.002
  116   1HE   LYS  14          2HE       LYS  14  23.054  29.564  29.564
  117   2HE   LYS  14          3HE       LYS  14  21.967  30.443  30.443
  118   1HZ   LYS  14          2HZ       LYS  14  21.730  31.269  31.269
  119   2HZ   LYS  14          3HZ       LYS  14  23.254  31.456  31.456
  120   3HZ   LYS  14          1HZ       LYS  14  22.008  32.165  32.165
  121    H    ASP  15           HN       ASP  15  17.247  25.036  25.036
  122    HA   ASP  15           HA       ASP  15  16.887  23.769  23.769
  123   1HB   ASP  15          2HB       ASP  15  15.262  24.246  24.246
  124   2HB   ASP  15          3HB       ASP  15  14.750  22.924  22.924
  125    H    ALA  16           HN       ALA  16  17.590  22.860  22.860
  126    HA   ALA  16           HA       ALA  16  17.149  20.070  20.070
  127   1HB   ALA  16          2HB       ALA  16  18.039  21.916  21.916
  128   2HB   ALA  16          3HB       ALA  16  18.692  20.262  20.262
  129   3HB   ALA  16          1HB       ALA  16  16.932  20.524  20.524
  130    H    GLU  17           HN       GLU  17  19.794  22.362  22.362
  131    HA   GLU  17           HA       GLU  17  21.759  20.297  20.297
  132   1HB   GLU  17          2HB       GLU  17  21.724  23.282  23.282
  133   2HB   GLU  17          3HB       GLU  17  23.079  22.375  22.375
  134   1HG   GLU  17          2HG       GLU  17  23.689  21.536  21.536
  135   2HG   GLU  17          3HG       GLU  17  22.154  22.009  22.009
  136    H    ARG  18           HN       ARG  18  19.462  21.777  21.777
  137    HA   ARG  18           HA       ARG  18  20.960  21.091  21.091
  138   1HB   ARG  18          2HB       ARG  18  18.315  22.404  22.404
  139   2HB   ARG  18          3HB       ARG  18  18.483  21.656  21.656
  140   1HG   ARG  18          2HG       ARG  18  20.636  23.525  23.525
  141   2HG   ARG  18          3HG       ARG  18  19.192  24.172  24.172
  142   1HD   ARG  18          2HD       ARG  18  19.980  22.156  22.156
  143   2HD   ARG  18          3HD       ARG  18  21.508  22.820  22.820
  144    HE   ARG  18           HE       ARG  18  19.530  24.868  24.868
  145   1HH1  ARG  18          2HH2      ARG  18  22.101  22.787  22.787
  146   2HH1  ARG  18          1HH2      ARG  18  22.441  23.785  23.785
  147   1HH2  ARG  18          2HH1      ARG  18  19.978  26.185  26.185
  148   2HH2  ARG  18          1HH1      ARG  18  21.225  25.731  25.731
  149    H    GLN  19           HN       GLN  19  18.576  19.643  19.643
  150    HA   GLN  19           HA       GLN  19  17.715  17.744  17.744
  151   1HB   GLN  19          2HB       GLN  19  17.116  18.151  18.151
  152   2HB   GLN  19          3HB       GLN  19  16.517  16.756  16.756
  153   1HG   GLN  19          2HG       GLN  19  15.733  18.660  18.660
  154   2HG   GLN  19          3HG       GLN  19  15.776  19.659  19.659
  155   1HE2  GLN  19          2HE2      GLN  19  13.198  17.907  17.907
  156   2HE2  GLN  19          1HE2      GLN  19  14.711  18.725  18.725
  157    H    LEU  20           HN       LEU  20  20.144  18.052  18.052
  158    HA   LEU  20           HA       LEU  20  20.598  15.218  15.218
  159   1HB   LEU  20          2HB       LEU  20  21.727  17.682  17.682
  160   2HB   LEU  20          3HB       LEU  20  22.690  16.218  16.218
  161    HG   LEU  20           HG       LEU  20  19.852  16.329  16.329
  162   1HD1  LEU  20          3HD1      LEU  20  21.900  17.767  17.767
  163   2HD1  LEU  20          1HD1      LEU  20  22.026  16.225  16.225
  164   3HD1  LEU  20          2HD1      LEU  20  20.495  17.134  17.134
  165   1HD2  LEU  20          1HD2      LEU  20  20.777  14.103  14.103
  166   2HD2  LEU  20          2HD2      LEU  20  20.368  14.255  14.255
  167   3HD2  LEU  20          3HD2      LEU  20  22.067  14.344  14.344
  168    H    LEU  21           HN       LEU  21  22.383  18.106  18.106
  169    HA   LEU  21           HA       LEU  21  24.416  16.536  16.536
  170   1HB   LEU  21          2HB       LEU  21  23.500  19.383  19.383
  171   2HB   LEU  21          3HB       LEU  21  24.765  18.731  18.731
  172    HG   LEU  21           HG       LEU  21  24.981  18.501  18.501
  173   1HD1  LEU  21          2HD1      LEU  21  24.770  20.974  20.974
  174   2HD1  LEU  21          3HD1      LEU  21  26.464  20.768  20.768
  175   3HD1  LEU  21          1HD1      LEU  21  25.161  20.685  20.685
  176   1HD2  LEU  21          2HD2      LEU  21  26.880  18.433  18.433
  177   2HD2  LEU  21          3HD2      LEU  21  26.645  17.245  17.245
  178   3HD2  LEU  21          1HD2      LEU  21  27.456  18.793  18.793
  179    H    ALA  22           HN       ALA  22  21.107  17.047  17.047
  180    HA   ALA  22           HA       ALA  22  21.161  17.086  17.086
  181   1HB   ALA  22          3HB       ALA  22  19.274  16.503  16.503
  182   2HB   ALA  22          1HB       ALA  22  18.956  15.526  15.526
  183   3HB   ALA  22          2HB       ALA  22  18.997  17.302  17.302
  184    HA   PRO  23           HA       PRO  23  22.373  13.106  13.106
  185   1HB   PRO  23          2HB       PRO  23  20.866  12.602  12.602
  186   2HB   PRO  23          3HB       PRO  23  22.287  13.627  13.627
  187   1HG   PRO  23          2HG       PRO  23  19.438  14.408  14.408
  188   2HG   PRO  23          3HG       PRO  23  20.850  15.349  15.349
  189   1HD   PRO  23          2HD       PRO  23  19.297  15.598  15.598
  190   2HD   PRO  23          3HD       PRO  23  20.775  16.458  16.458
  191    H    GLY  24           HN       GLY  24  19.032  13.573  13.573
  192   1HA   GLY  24          1HA       GLY  24  18.146  10.933  10.933
  193   2HA   GLY  24          2HA       GLY  24  17.483  12.200  12.200
  194    H    ASN  25           HN       ASN  25  19.921  12.731  12.731
  195    HA   ASN  25           HA       ASN  25  19.806  10.328  10.328
  196   1HB   ASN  25          2HB       ASN  25  20.557  13.228  13.228
  197   2HB   ASN  25          3HB       ASN  25  20.860  11.937  11.937
  198   1HD2  ASN  25          2HD2      ASN  25  17.094  13.417  13.417
  199   2HD2  ASN  25          1HD2      ASN  25  18.474  13.851  13.851
  200    H    MET  26           HN       MET  26  22.021  10.003  10.003
  201    HA   MET  26           HA       MET  26  24.317  10.870  10.870
  202   1HB   MET  26          2HB       MET  26  25.122   8.578   8.578
  203   2HB   MET  26          3HB       MET  26  23.525   8.748   8.748
  204   1HG   MET  26          2HG       MET  26  22.655   7.808   7.808
  205   2HG   MET  26          3HG       MET  26  24.311   7.287   7.287
  206   1HE   MET  26          3HE       MET  26  25.101   5.497   5.497
  207   2HE   MET  26          1HE       MET  26  25.083   4.568   4.568
  208   3HE   MET  26          2HE       MET  26  23.939   4.165   4.165
  209    H    LEU  27           HN       LEU  27  26.402  10.189  10.189
  210    HA   LEU  27           HA       LEU  27  26.477  10.930  10.930
  211   1HB   LEU  27          2HB       LEU  27  28.189   9.312   9.312
  212   2HB   LEU  27          3HB       LEU  27  28.479   9.076   9.076
  213    HG   LEU  27           HG       LEU  27  28.278  11.901  11.901
  214   1HD1  LEU  27          1HD1      LEU  27  29.130  10.729  10.729
  215   2HD1  LEU  27          2HD1      LEU  27  30.679  10.824  10.824
  216   3HD1  LEU  27          3HD1      LEU  27  29.736  12.303  12.303
  217   1HD2  LEU  27          2HD2      LEU  27  29.574  10.277  10.277
  218   2HD2  LEU  27          3HD2      LEU  27  29.903  12.009  12.009
  219   3HD2  LEU  27          1HD2      LEU  27  30.904  10.789  10.789
  220    H    GLY  28           HN       GLY  28  25.476  10.266  10.266
  221   1HA   GLY  28          1HA       GLY  28  25.455   8.352   8.352
  222   2HA   GLY  28          2HA       GLY  28  24.874   7.377   7.377
  223    H    SER  29           HN       SER  29  23.278   9.826   9.826
  224    HA   SER  29           HA       SER  29  20.905   9.126   9.126
  225   1HB   SER  29          2HB       SER  29  21.532  11.380  11.380
  226   2HB   SER  29          3HB       SER  29  19.912  10.961  10.961
  227    HG   SER  29           HG       SER  29  19.910   9.497   9.497
  228    H    PHE  30           HN       PHE  30  19.720  10.241  10.241
  229    HA   PHE  30           HA       PHE  30  20.920  12.740  12.740
  230   1HB   PHE  30          2HB       PHE  30  20.835  11.876  11.876
  231   2HB   PHE  30          3HB       PHE  30  21.360  10.481  10.481
  232    HD1  PHE  30           HD1      PHE  30  18.377  12.071  12.071
  233    HD2  PHE  30           HD2      PHE  30  20.077   8.507   8.507
  234    HE1  PHE  30           HE1      PHE  30  16.425  10.757  10.757
  235    HE2  PHE  30           HE2      PHE  30  18.125   7.194   7.194
  236   1HZ   PHE  30           HZ       PHE  30  16.322   8.335   8.335
  237    H    MET  31           HN       MET  31  19.407  14.147  14.147
  238    HA   MET  31           HA       MET  31  16.631  13.425  13.425
  239   1HB   MET  31          2HB       MET  31  16.081  15.516  15.516
  240   2HB   MET  31          3HB       MET  31  17.203  14.544  14.544
  241   1HG   MET  31          2HG       MET  31  18.970  16.031  16.031
  242   2HG   MET  31          3HG       MET  31  18.428  16.534  16.534
  243   1HE   MET  31          3HE       MET  31  17.131  16.099  16.099
  244   2HE   MET  31          1HE       MET  31  16.618  17.708  17.708
  245   3HE   MET  31          2HE       MET  31  15.540  16.742  16.742
  246    H    ILE  32           HN       ILE  32  15.190  15.006  15.006
  247    HA   ILE  32           HA       ILE  32  16.701  16.616  16.616
  248    HB   ILE  32           HB       ILE  32  14.558  14.580  14.580
  249   1HG1  ILE  32          2HG1      ILE  32  17.277  14.849  14.849
  250   2HG1  ILE  32          3HG1      ILE  32  17.052  13.953  13.953
  251   1HG2  ILE  32          3HG2      ILE  32  14.250  16.845  16.845
  252   2HG2  ILE  32          1HG2      ILE  32  15.745  16.459  16.459
  253   3HG2  ILE  32          2HG2      ILE  32  14.325  15.396  15.396
  254   1HD1  ILE  32          2HD1      ILE  32  15.280  12.567  12.567
  255   2HD1  ILE  32          3HD1      ILE  32  15.630  13.430  13.430
  256   3HD1  ILE  32          1HD1      ILE  32  16.881  12.413  12.413
  257    H    ARG  33           HN       ARG  33  15.769  18.594  18.594
  258    HA   ARG  33           HA       ARG  33  13.131  19.048  19.048
  259   1HB   ARG  33          2HB       ARG  33  13.874  21.246  21.246
  260   2HB   ARG  33          3HB       ARG  33  14.731  19.914  19.914
  261   1HG   ARG  33          2HG       ARG  33  16.418  20.421  20.421
  262   2HG   ARG  33          3HG       ARG  33  15.755  22.026  22.026
  263   1HD   ARG  33          2HD       ARG  33  16.342  20.989  20.989
  264   2HD   ARG  33          3HD       ARG  33  17.731  20.629  20.629
  265    HE   ARG  33           HE       ARG  33  16.748  23.307  23.307
  266   1HH1  ARG  33          2HH2      ARG  33  18.844  21.439  21.439
  267   2HH1  ARG  33          1HH2      ARG  33  19.861  22.785  22.785
  268   1HH2  ARG  33          2HH1      ARG  33  18.089  25.084  25.084
  269   2HH2  ARG  33          1HH1      ARG  33  19.429  24.872  24.872
  270    H    ASP  34           HN       ASP  34  12.038  20.981  20.981
  271    HA   ASP  34           HA       ASP  34  13.111  21.414  21.414
  272   1HB   ASP  34          2HB       ASP  34  10.805  20.410  20.410
  273   2HB   ASP  34          3HB       ASP  34  10.288  21.863  21.863
  274    H    SER  35           HN       SER  35  13.152  23.640  23.640
  275    HA   SER  35           HA       SER  35  13.607  25.543  25.543
  276   1HB   SER  35          2HB       SER  35  14.951  25.434  25.434
  277   2HB   SER  35          3HB       SER  35  13.533  25.872  25.872
  278    HG   SER  35           HG       SER  35  14.327  27.573  27.573
  279    H    GLU  36           HN       GLU  36  12.325  27.342  27.342
  280    HA   GLU  36           HA       GLU  36   9.603  27.166  27.166
  281   1HB   GLU  36          2HB       GLU  36   9.240  28.871  28.871
  282   2HB   GLU  36          3HB       GLU  36   9.685  27.237  27.237
  283   1HG   GLU  36          2HG       GLU  36  12.012  29.023  29.023
  284   2HG   GLU  36          3HG       GLU  36  10.994  29.535  29.535
  285    H    THR  37           HN       THR  37  12.509  29.064  29.064
  286    HA   THR  37           HA       THR  37  11.040  31.385  31.385
  287    HB   THR  37           HB       THR  37  13.486  32.220  32.220
  288    HG1  THR  37           HG1      THR  37  15.019  30.746  30.746
  289   1HG2  THR  37          3HG2      THR  37  12.482  31.197  31.197
  290   2HG2  THR  37          1HG2      THR  37  13.891  32.266  32.266
  291   3HG2  THR  37          2HG2      THR  37  12.271  32.837  32.837
  292    H    THR  38           HN       THR  38  13.420  28.939  28.939
  293    HA   THR  38           HA       THR  38  12.591  29.713  29.713
  294    HB   THR  38           HB       THR  38  15.103  28.320  28.320
  295    HG1  THR  38           HG1      THR  38  15.745  30.438  30.438
  296   1HG2  THR  38          2HG2      THR  38  13.999  28.408  28.408
  297   2HG2  THR  38          3HG2      THR  38  15.378  29.531  29.531
  298   3HG2  THR  38          1HG2      THR  38  15.604  27.821  27.821
  299    H    LYS  39           HN       LYS  39  10.543  28.483  28.483
  300    HA   LYS  39           HA       LYS  39  10.469  25.806  25.806
  301   1HB   LYS  39          2HB       LYS  39   8.695  27.746  27.746
  302   2HB   LYS  39          3HB       LYS  39   8.353  26.045  26.045
  303   1HG   LYS  39          2HG       LYS  39   8.904  26.392  26.392
  304   2HG   LYS  39          3HG       LYS  39   7.816  27.684  27.684
  305   1HD   LYS  39          2HD       LYS  39   7.062  25.064  25.064
  306   2HD   LYS  39          3HD       LYS  39   7.066  25.060  25.060
  307   1HE   LYS  39          2HE       LYS  39   5.129  26.243  26.243
  308   2HE   LYS  39          3HE       LYS  39   5.833  27.522  27.522
  309   1HZ   LYS  39          1HZ       LYS  39   4.942  25.045  25.045
  310   2HZ   LYS  39          2HZ       LYS  39   3.873  26.233  26.233
  311   3HZ   LYS  39          3HZ       LYS  39   5.128  26.522  26.522
  312    H    GLY  40           HN       GLY  40  10.170  23.908  23.908
  313   1HA   GLY  40          1HA       GLY  40  10.444  22.748  22.748
  314   2HA   GLY  40          2HA       GLY  40  11.140  24.164  24.164
  315    H    SER  41           HN       SER  41  12.844  24.466  24.466
  316    HA   SER  41           HA       SER  41  14.868  22.583  22.583
  317   1HB   SER  41          2HB       SER  41  15.078  25.264  25.264
  318   2HB   SER  41          3HB       SER  41  16.448  24.186  24.186
  319    HG   SER  41           HG       SER  41  14.885  25.371  25.371
  320    H    TYR  42           HN       TYR  42  16.035  21.308  21.308
  321    HA   TYR  42           HA       TYR  42  14.791  21.296  21.296
  322   1HB   TYR  42          2HB       TYR  42  15.750  19.138  19.138
  323   2HB   TYR  42          3HB       TYR  42  15.568  18.761  18.761
  324    HD1  TYR  42           HD2      TYR  42  13.621  20.221  20.221
  325    HD2  TYR  42           HD1      TYR  42  13.524  17.943  17.943
  326    HE1  TYR  42           HE2      TYR  42  11.153  19.730  19.730
  327    HE2  TYR  42           HE1      TYR  42  11.057  17.460  17.460
  328    HH   TYR  42           HH       TYR  42   9.234  19.135  19.135
  329    H    SER  43           HN       SER  43  16.236  20.298  20.298
  330    HA   SER  43           HA       SER  43  19.039  20.663  20.663
  331   1HB   SER  43          2HB       SER  43  17.749  21.810  21.810
  332   2HB   SER  43          3HB       SER  43  19.429  21.967  21.967
  333    HG   SER  43           HG       SER  43  18.472  23.018  23.018
  334    H    LEU  44           HN       LEU  44  20.279  18.979  18.979
  335    HA   LEU  44           HA       LEU  44  18.934  17.148  17.148
  336   1HB   LEU  44          2HB       LEU  44  19.536  16.062  16.062
  337   2HB   LEU  44          3HB       LEU  44  21.108  16.834  16.834
  338    HG   LEU  44           HG       LEU  44  21.827  15.518  15.518
  339   1HD1  LEU  44          1HD1      LEU  44  19.004  14.909  14.909
  340   2HD1  LEU  44          2HD1      LEU  44  19.972  13.417  13.417
  341   3HD1  LEU  44          3HD1      LEU  44  20.294  14.628  14.628
  342   1HD2  LEU  44          2HD2      LEU  44  21.500  14.661  14.661
  343   2HD2  LEU  44          3HD2      LEU  44  22.633  14.029  14.029
  344   3HD2  LEU  44          1HD2      LEU  44  21.032  13.277  13.277
  345    H    SER  45           HN       SER  45  19.888  16.501  16.501
  346    HA   SER  45           HA       SER  45  22.363  17.869  17.869
  347   1HB   SER  45          2HB       SER  45  20.099  17.702  17.702
  348   2HB   SER  45          3HB       SER  45  21.529  18.714  18.714
  349    HG   SER  45           HG       SER  45  20.693  19.983  19.983
  350    H    VAL  46           HN       VAL  46  23.829  16.383  16.383
  351    HA   VAL  46           HA       VAL  46  22.739  14.030  14.030
  352    HB   VAL  46           HB       VAL  46  25.130  13.994  13.994
  353   1HG1  VAL  46          2HG1      VAL  46  24.559  12.214  12.214
  354   2HG1  VAL  46          3HG1      VAL  46  23.411  11.623  11.623
  355   3HG1  VAL  46          1HG1      VAL  46  25.149  11.707  11.707
  356   1HG2  VAL  46          3HG2      VAL  46  22.235  13.887  13.887
  357   2HG2  VAL  46          1HG2      VAL  46  23.625  14.386  14.386
  358   3HG2  VAL  46          2HG2      VAL  46  23.268  12.657  12.657
  359    H    ARG  47           HN       ARG  47  24.069  13.177  13.177
  360    HA   ARG  47           HA       ARG  47  25.636  15.240  15.240
  361   1HB   ARG  47          2HB       ARG  47  24.005  13.711  13.711
  362   2HB   ARG  47          3HB       ARG  47  25.138  12.397  12.397
  363   1HG   ARG  47          2HG       ARG  47  26.757  13.335  13.335
  364   2HG   ARG  47          3HG       ARG  47  26.164  14.969  14.969
  365   1HD   ARG  47          2HD       ARG  47  24.413  14.700  14.700
  366   2HD   ARG  47          3HD       ARG  47  24.310  12.969  12.969
  367    HE   ARG  47           HE       ARG  47  26.877  13.664  13.664
  368   1HH1  ARG  47          2HH2      ARG  47  23.481  13.282  13.282
  369   2HH1  ARG  47          1HH2      ARG  47  23.801  12.917  12.917
  370   1HH2  ARG  47          2HH1      ARG  47  27.299  13.182  13.182
  371   2HH2  ARG  47          1HH1      ARG  47  25.987  12.859  12.859
  372    H    ASP  48           HN       ASP  48  27.905  15.138  15.138
  373    HA   ASP  48           HA       ASP  48  29.297  12.773  12.773
  374   1HB   ASP  48          2HB       ASP  48  29.049  14.526  14.526
  375   2HB   ASP  48          3HB       ASP  48  30.201  15.485  15.485
  376    H    TYR  49           HN       TYR  49  31.694  12.947  12.947
  377    HA   TYR  49           HA       TYR  49  32.086  14.986  14.986
  378   1HB   TYR  49          2HB       TYR  49  31.307  12.593  12.593
  379   2HB   TYR  49          3HB       TYR  49  32.831  12.003  12.003
  380    HD1  TYR  49           HD1      TYR  49  35.004  12.962  12.962
  381    HD2  TYR  49           HD2      TYR  49  31.168  13.470  13.470
  382    HE1  TYR  49           HE1      TYR  49  36.123  13.487  13.487
  383    HE2  TYR  49           HE2      TYR  49  32.300  13.994  13.994
  384    HH   TYR  49           HH       TYR  49  34.227  14.549  14.549
  385    H    ASP  50           HN       ASP  50  34.313  15.519  15.519
  386    HA   ASP  50           HA       ASP  50  36.142  14.417  14.417
  387   1HB   ASP  50          2HB       ASP  50  35.406  17.265  17.265
  388   2HB   ASP  50          3HB       ASP  50  37.117  16.957  16.957
  389    HA   PRO  51           HA       PRO  51  38.654  14.083  14.083
  390   1HB   PRO  51          2HB       PRO  51  41.092  13.607  13.607
  391   2HB   PRO  51          3HB       PRO  51  39.878  12.363  12.363
  392   1HG   PRO  51          2HG       PRO  51  40.678  13.756  13.756
  393   2HG   PRO  51          3HG       PRO  51  39.799  12.251  12.251
  394   1HD   PRO  51          2HD       PRO  51  38.698  14.809  14.809
  395   2HD   PRO  51          3HD       PRO  51  37.807  13.329  13.329
  396    H    ARG  52           HN       ARG  52  38.699  16.655  16.655
  397    HA   ARG  52           HA       ARG  52  40.886  17.896  17.896
  398   1HB   ARG  52          2HB       ARG  52  39.271  18.613  18.613
  399   2HB   ARG  52          3HB       ARG  52  40.238  19.838  19.838
  400   1HG   ARG  52          2HG       ARG  52  42.214  18.941  18.941
  401   2HG   ARG  52          3HG       ARG  52  41.704  17.297  17.297
  402   1HD   ARG  52          2HD       ARG  52  40.059  17.999  17.999
  403   2HD   ARG  52          3HD       ARG  52  41.543  18.848  18.848
  404    HE   ARG  52           HE       ARG  52  41.138  16.016  16.016
  405   1HH1  ARG  52          2HH2      ARG  52  43.568  18.344  18.344
  406   2HH1  ARG  52          1HH2      ARG  52  44.901  17.284  17.284
  407   1HH2  ARG  52          2HH1      ARG  52  42.896  14.617  14.617
  408   2HH2  ARG  52          1HH1      ARG  52  44.516  15.150  15.150
  409    H    GLN  53           HN       GLN  53  37.429  18.590  18.590
  410    HA   GLN  53           HA       GLN  53  37.325  20.535  20.535
  411   1HB   GLN  53          2HB       GLN  53  35.294  19.764  19.764
  412   2HB   GLN  53          3HB       GLN  53  35.048  21.037  21.037
  413   1HG   GLN  53          2HG       GLN  53  37.583  21.619  21.619
  414   2HG   GLN  53          3HG       GLN  53  36.668  21.060  21.060
  415   1HE2  GLN  53          2HE2      GLN  53  36.095  24.729  24.729
  416   2HE2  GLN  53          1HE2      GLN  53  37.346  23.624  23.624
  417    H    GLY  54           HN       GLY  54  35.505  17.592  17.592
  418   1HA   GLY  54          1HA       GLY  54  35.229  15.941  15.941
  419   2HA   GLY  54          2HA       GLY  54  34.535  17.269  17.269
  420    H    ASP  55           HN       ASP  55  32.340  17.506  17.506
  421    HA   ASP  55           HA       ASP  55  30.904  15.839  15.839
  422   1HB   ASP  55          2HB       ASP  55  29.928  17.941  17.941
  423   2HB   ASP  55          3HB       ASP  55  28.900  16.778  16.778
  424    H    THR  56           HN       THR  56  29.952  16.523  16.523
  425    HA   THR  56           HA       THR  56  29.460  19.367  19.367
  426    HB   THR  56           HB       THR  56  30.879  19.532  19.532
  427    HG1  THR  56           HG1      THR  56  30.959  16.618  16.618
  428   1HG2  THR  56          2HG2      THR  56  32.234  19.280  19.280
  429   2HG2  THR  56          3HG2      THR  56  32.415  17.557  17.557
  430   3HG2  THR  56          1HG2      THR  56  33.100  18.804  18.804
  431    H    VAL  57           HN       VAL  57  28.336  19.687  19.687
  432    HA   VAL  57           HA       VAL  57  26.711  17.335  17.335
  433    HB   VAL  57           HB       VAL  57  25.536  20.080  20.080
  434   1HG1  VAL  57          3HG1      VAL  57  24.407  18.304  18.304
  435   2HG1  VAL  57          1HG1      VAL  57  24.107  17.417  17.417
  436   3HG1  VAL  57          2HG1      VAL  57  23.431  19.048  19.048
  437   1HG2  VAL  57          3HG2      VAL  57  25.837  17.787  17.787
  438   2HG2  VAL  57          1HG2      VAL  57  26.311  19.491  19.491
  439   3HG2  VAL  57          2HG2      VAL  57  24.588  19.043  19.043
  440    H    LYS  58           HN       LYS  58  26.719  16.974  16.974
  441    HA   LYS  58           HA       LYS  58  27.723  19.106  19.106
  442   1HB   LYS  58          2HB       LYS  58  27.314  16.135  16.135
  443   2HB   LYS  58          3HB       LYS  58  27.715  17.203  17.203
  444   1HG   LYS  58          2HG       LYS  58  29.391  17.406  17.406
  445   2HG   LYS  58          3HG       LYS  58  29.614  15.990  15.990
  446   1HD   LYS  58          2HD       LYS  58  29.566  18.702  18.702
  447   2HD   LYS  58          3HD       LYS  58  31.003  18.237  18.237
  448   1HE   LYS  58          2HE       LYS  58  30.245  15.968  15.968
  449   2HE   LYS  58          3HE       LYS  58  30.147  17.371  17.371
  450   1HZ   LYS  58          3HZ       LYS  58  32.382  17.955  17.955
  451   2HZ   LYS  58          1HZ       LYS  58  32.470  16.628  16.628
  452   3HZ   LYS  58          2HZ       LYS  58  32.350  16.467  16.467
  453    H    HIS  59           HN       HIS  59  26.587  19.934  19.934
  454    HA   HIS  59           HA       HIS  59  23.787  19.141  19.141
  455   1HB   HIS  59          2HB       HIS  59  24.430  22.056  22.056
  456   2HB   HIS  59          3HB       HIS  59  22.932  21.261  21.261
  457    HD1  HIS  59           HD1      HIS  59  23.099  19.919  19.919
  458    HD2  HIS  59           HD2      HIS  59  25.823  23.019  23.019
  459    HE1  HIS  59           HE1      HIS  59  24.008  20.639  20.639
  460    H    TYR  60           HN       TYR  60  23.241  18.693  18.693
  461    HA   TYR  60           HA       TYR  60  24.903  19.932  19.932
  462   1HB   TYR  60          2HB       TYR  60  23.397  17.253  17.253
  463   2HB   TYR  60          3HB       TYR  60  24.652  17.764  17.764
  464    HD1  TYR  60           HD1      TYR  60  23.979  16.539  16.539
  465    HD2  TYR  60           HD2      TYR  60  26.993  17.516  17.516
  466    HE1  TYR  60           HE1      TYR  60  25.729  15.367  15.367
  467    HE2  TYR  60           HE2      TYR  60  28.732  16.340  16.340
  468    HH   TYR  60           HH       TYR  60  27.778  14.577  14.577
  469    H    LYS  61           HN       LYS  61  23.827  21.155  21.155
  470    HA   LYS  61           HA       LYS  61  21.002  21.415  21.415
  471   1HB   LYS  61          2HB       LYS  61  21.219  23.242  23.242
  472   2HB   LYS  61          3HB       LYS  61  22.718  23.238  23.238
  473   1HG   LYS  61          2HG       LYS  61  23.930  22.204  22.204
  474   2HG   LYS  61          3HG       LYS  61  22.447  21.872  21.872
  475   1HD   LYS  61          2HD       LYS  61  22.680  23.869  23.869
  476   2HD   LYS  61          3HD       LYS  61  22.373  24.661  24.661
  477   1HE   LYS  61          2HE       LYS  61  25.162  23.639  23.639
  478   2HE   LYS  61          3HE       LYS  61  24.627  25.141  25.141
  479   1HZ   LYS  61          3HZ       LYS  61  23.903  25.620  25.620
  480   2HZ   LYS  61          1HZ       LYS  61  25.067  24.533  24.533
  481   3HZ   LYS  61          2HZ       LYS  61  25.442  25.881  25.881
  482    H    ILE  62           HN       ILE  62  19.398  20.960  20.960
  483    HA   ILE  62           HA       ILE  62  20.278  18.881  18.881
  484    HB   ILE  62           HB       ILE  62  17.858  19.024  19.024
  485   1HG1  ILE  62          2HG1      ILE  62  19.532  16.589  16.589
  486   2HG1  ILE  62          3HG1      ILE  62  20.187  17.867  17.867
  487   1HG2  ILE  62          2HG2      ILE  62  18.200  17.394  17.394
  488   2HG2  ILE  62          3HG2      ILE  62  17.004  17.032  17.032
  489   3HG2  ILE  62          1HG2      ILE  62  16.921  18.572  18.572
  490   1HD1  ILE  62          1HD1      ILE  62  17.397  16.738  16.738
  491   2HD1  ILE  62          2HD1      ILE  62  18.848  16.033  16.033
  492   3HD1  ILE  62          3HD1      ILE  62  18.384  17.712  17.712
  493    H    ARG  63           HN       ARG  63  20.377  19.877  19.877
  494    HA   ARG  63           HA       ARG  63  18.346  21.852  21.852
  495   1HB   ARG  63          2HB       ARG  63  21.002  21.107  21.107
  496   2HB   ARG  63          3HB       ARG  63  19.848  22.083  22.083
  497   1HG   ARG  63          2HG       ARG  63  20.577  22.863  22.863
  498   2HG   ARG  63          3HG       ARG  63  21.684  23.243  23.243
  499   1HD   ARG  63          2HD       ARG  63  19.529  24.231  24.231
  500   2HD   ARG  63          3HD       ARG  63  18.852  24.244  24.244
  501    HE   ARG  63           HE       ARG  63  20.317  25.986  25.986
  502   1HH1  ARG  63          2HH2      ARG  63  21.327  24.578  24.578
  503   2HH1  ARG  63          1HH2      ARG  63  22.493  25.815  25.815
  504   1HH2  ARG  63          2HH1      ARG  63  21.856  27.618  27.618
  505   2HH2  ARG  63          1HH1      ARG  63  22.796  27.556  27.556
  506    H    THR  64           HN       THR  64  17.034  21.729  21.729
  507    HA   THR  64           HA       THR  64  16.641  18.955  18.955
  508    HB   THR  64           HB       THR  64  14.386  19.759  19.759
  509    HG1  THR  64           HG1      THR  64  14.640  21.883  21.883
  510   1HG2  THR  64          1HG2      THR  64  15.340  19.764  19.764
  511   2HG2  THR  64          2HG2      THR  64  14.581  21.365  21.365
  512   3HG2  THR  64          3HG2      THR  64  13.631  19.892  19.892
  513    H    LEU  65           HN       LEU  65  16.180  18.511  18.511
  514    HA   LEU  65           HA       LEU  65  17.922  20.178  20.178
  515   1HB   LEU  65          2HB       LEU  65  16.884  17.372  17.372
  516   2HB   LEU  65          3HB       LEU  65  17.950  18.234  18.234
  517    HG   LEU  65           HG       LEU  65  18.752  17.784  17.784
  518   1HD1  LEU  65          3HD1      LEU  65  18.003  15.635  15.635
  519   2HD1  LEU  65          1HD1      LEU  65  19.615  15.822  15.822
  520   3HD1  LEU  65          2HD1      LEU  65  19.453  15.634  15.634
  521   1HD2  LEU  65          2HD2      LEU  65  19.928  19.286  19.286
  522   2HD2  LEU  65          3HD2      LEU  65  20.851  18.368  18.368
  523   3HD2  LEU  65          1HD2      LEU  65  20.652  17.718  17.718
  524    H    ASP  66           HN       ASP  66  17.220  21.085  21.085
  525    HA   ASP  66           HA       ASP  66  14.839  22.207  22.207
  526   1HB   ASP  66          2HB       ASP  66  16.743  22.531  22.531
  527   2HB   ASP  66          3HB       ASP  66  16.289  21.040  21.040
  528    H    ASN  67           HN       ASN  67  15.726  18.991  18.991
  529    HA   ASN  67           HA       ASN  67  12.897  18.325  18.325
  530   1HB   ASN  67          2HB       ASN  67  13.944  18.851  18.851
  531   2HB   ASN  67          3HB       ASN  67  14.701  17.279  17.279
  532   1HD2  ASN  67          2HD2      ASN  67  11.429  16.980  16.980
  533   2HD2  ASN  67          1HD2      ASN  67  12.873  17.916  17.916
  534    H    GLY  68           HN       GLY  68  13.890  17.395  17.395
  535   1HA   GLY  68          1HA       GLY  68  14.564  14.615  14.615
  536   2HA   GLY  68          2HA       GLY  68  15.846  15.568  15.568
  537    H    GLY  69           HN       GLY  69  15.906  15.374  15.374
  538   1HA   GLY  69          1HA       GLY  69  13.366  15.579  15.579
  539   2HA   GLY  69          2HA       GLY  69  14.402  14.193  14.193
  540    H    PHE  70           HN       PHE  70  15.923  14.360  14.360
  541    HA   PHE  70           HA       PHE  70  16.850  17.065  17.065
  542   1HB   PHE  70          2HB       PHE  70  16.281  14.750  14.750
  543   2HB   PHE  70          3HB       PHE  70  16.653  16.404  16.404
  544    HD1  PHE  70           HD1      PHE  70  14.099  14.386  14.386
  545    HD2  PHE  70           HD2      PHE  70  14.923  17.899  17.899
  546    HE1  PHE  70           HE1      PHE  70  11.647  14.919  14.919
  547    HE2  PHE  70           HE2      PHE  70  12.471  18.431  18.431
  548   1HZ   PHE  70           HZ       PHE  70  10.862  16.934  16.934
  549    H    TYR  71           HN       TYR  71  19.050  17.271  17.271
  550    HA   TYR  71           HA       TYR  71  20.585  14.789  14.789
  551   1HB   TYR  71          2HB       TYR  71  21.956  15.466  15.466
  552   2HB   TYR  71          3HB       TYR  71  20.332  15.838  15.838
  553    HD1  TYR  71           HD1      TYR  71  19.534  18.189  18.189
  554    HD2  TYR  71           HD2      TYR  71  23.565  17.218  17.218
  555    HE1  TYR  71           HE1      TYR  71  20.227  20.603  20.603
  556    HE2  TYR  71           HE2      TYR  71  24.245  19.635  19.635
  557    HH   TYR  71           HH       TYR  71  21.999  21.930  21.930
  558    H    ILE  72           HN       ILE  72  22.704  15.078  15.078
  559    HA   ILE  72           HA       ILE  72  22.945  17.662  17.662
  560    HB   ILE  72           HB       ILE  72  23.462  14.869  14.869
  561   1HG1  ILE  72          2HG1      ILE  72  21.675  17.036  17.036
  562   2HG1  ILE  72          3HG1      ILE  72  21.108  15.811  15.811
  563   1HG2  ILE  72          3HG2      ILE  72  25.271  16.565  16.565
  564   2HG2  ILE  72          1HG2      ILE  72  24.021  17.408  17.408
  565   3HG2  ILE  72          2HG2      ILE  72  24.468  15.735  15.735
  566   1HD1  ILE  72          1HD1      ILE  72  22.669  14.638  14.638
  567   2HD1  ILE  72          2HD1      ILE  72  21.254  15.552  15.552
  568   3HD1  ILE  72          3HD1      ILE  72  21.040  14.218  14.218
  569    H    SER  73           HN       SER  73  24.668  14.777  14.777
  570    HA   SER  73           HA       SER  73  26.974  16.534  16.534
  571   1HB   SER  73          2HB       SER  73  27.129  14.382  14.382
  572   2HB   SER  73          3HB       SER  73  27.055  13.496  13.496
  573    HG   SER  73           HG       SER  73  29.083  15.322  15.322
  574    HA   PRO  74           HA       PRO  74  26.419  16.008  16.008
  575   1HB   PRO  74          2HB       PRO  74  28.851  16.851  16.851
  576   2HB   PRO  74          3HB       PRO  74  27.567  17.951  17.951
  577   1HG   PRO  74          2HG       PRO  74  30.045  17.280  17.280
  578   2HG   PRO  74          3HG       PRO  74  28.980  18.655  18.655
  579   1HD   PRO  74          2HD       PRO  74  29.135  16.324  16.324
  580   2HD   PRO  74          3HD       PRO  74  27.992  17.645  17.645
  581    H    ARG  75           HN       ARG  75  26.488  13.600  13.600
  582    HA   ARG  75           HA       ARG  75  28.323  12.330  12.330
  583   1HB   ARG  75          2HB       ARG  75  27.836  11.380  11.380
  584   2HB   ARG  75          3HB       ARG  75  28.873  10.593  10.593
  585   1HG   ARG  75          2HG       ARG  75  29.376  13.505  13.505
  586   2HG   ARG  75          3HG       ARG  75  29.869  12.303  12.303
  587   1HD   ARG  75          2HD       ARG  75  30.723  11.319  11.319
  588   2HD   ARG  75          3HD       ARG  75  31.149  13.019  13.019
  589    HE   ARG  75           HE       ARG  75  31.902  11.943  11.943
  590   1HH1  ARG  75          2HH2      ARG  75  32.768  11.538  11.538
  591   2HH1  ARG  75          1HH2      ARG  75  34.399  11.063  11.063
  592   1HH2  ARG  75          2HH1      ARG  75  34.053  11.316  11.316
  593   2HH2  ARG  75          1HH1      ARG  75  35.134  10.935  10.935
  594    H    SER  76           HN       SER  76  25.684  11.688  11.688
  595    HA   SER  76           HA       SER  76  24.276  10.288  10.288
  596   1HB   SER  76          2HB       SER  76  24.923   9.234   9.234
  597   2HB   SER  76          3HB       SER  76  23.533   8.637   8.637
  598    HG   SER  76           HG       SER  76  26.015   7.762   7.762
  599    H    THR  77           HN       THR  77  22.253  11.172  11.172
  600    HA   THR  77           HA       THR  77  21.211  12.691  12.691
  601    HB   THR  77           HB       THR  77  19.815  13.773  13.773
  602    HG1  THR  77           HG1      THR  77  19.638  11.956  11.956
  603   1HG2  THR  77          3HG2      THR  77  22.813  13.568  13.568
  604   2HG2  THR  77          1HG2      THR  77  21.865  14.357  14.357
  605   3HG2  THR  77          2HG2      THR  77  21.822  14.998  14.998
  606    H    PHE  78           HN       PHE  78  18.830  12.614  12.614
  607    HA   PHE  78           HA       PHE  78  17.803   9.929   9.929
  608   1HB   PHE  78          2HB       PHE  78  17.507  11.586  11.586
  609   2HB   PHE  78          3HB       PHE  78  16.945   9.942   9.942
  610    HD1  PHE  78           HD2      PHE  78  20.016  12.015  12.015
  611    HD2  PHE  78           HD1      PHE  78  18.357   8.121   8.121
  612    HE1  PHE  78           HE2      PHE  78  22.203  11.149  11.149
  613    HE2  PHE  78           HE1      PHE  78  20.544   7.255   7.255
  614   1HZ   PHE  78           HZ       PHE  78  22.441   8.780   8.780
  615    H    SER  79           HN       SER  79  15.541   9.769   9.769
  616    HA   SER  79           HA       SER  79  14.380  12.205  12.205
  617   1HB   SER  79          2HB       SER  79  13.078   9.458   9.458
  618   2HB   SER  79          3HB       SER  79  12.527  10.795  10.795
  619    HG   SER  79           HG       SER  79  14.497   8.903   8.903
  620    H    THR  80           HN       THR  80  14.337  10.204  10.204
  621    HA   THR  80           HA       THR  80  12.417  12.067  12.067
  622    HB   THR  80           HB       THR  80  11.248  10.108  10.108
  623    HG1  THR  80           HG1      THR  80  12.417   8.239   8.239
  624   1HG2  THR  80          3HG2      THR  80  10.482  10.943  10.943
  625   2HG2  THR  80          1HG2      THR  80  11.495   9.665   9.665
  626   3HG2  THR  80          2HG2      THR  80  10.118   9.232   9.232
  627    H    LEU  81           HN       LEU  81  12.468  12.000  12.000
  628    HA   LEU  81           HA       LEU  81  15.233  11.887  11.887
  629   1HB   LEU  81          2HB       LEU  81  12.690  12.969  12.969
  630   2HB   LEU  81          3HB       LEU  81  14.046  12.680  12.680
  631    HG   LEU  81           HG       LEU  81  14.416  14.306  14.306
  632   1HD1  LEU  81          3HD1      LEU  81  12.546  14.985  14.985
  633   2HD1  LEU  81          1HD1      LEU  81  13.987  15.966  15.966
  634   3HD1  LEU  81          2HD1      LEU  81  13.239  16.046  16.046
  635   1HD2  LEU  81          2HD2      LEU  81  15.801  14.304  14.304
  636   2HD2  LEU  81          3HD2      LEU  81  16.422  13.605  13.605
  637   3HD2  LEU  81          1HD2      LEU  81  16.197  15.365  15.365
  638    H    GLN  82           HN       GLN  82  12.337   9.913   9.913
  639    HA   GLN  82           HA       GLN  82  13.094   8.492   8.492
  640   1HB   GLN  82          2HB       GLN  82  10.760   8.659   8.659
  641   2HB   GLN  82          3HB       GLN  82  11.288   7.532   7.532
  642   1HG   GLN  82          2HG       GLN  82  10.753   5.836   5.836
  643   2HG   GLN  82          3HG       GLN  82  12.087   6.327   6.327
  644   1HE2  GLN  82          2HE2      GLN  82   9.791   6.703   6.703
  645   2HE2  GLN  82          1HE2      GLN  82  11.144   5.855   5.855
  646    H    GLU  83           HN       GLU  83  13.944   8.328   8.328
  647    HA   GLU  83           HA       GLU  83  14.991   5.678   5.678
  648   1HB   GLU  83          2HB       GLU  83  15.092   7.725   7.725
  649   2HB   GLU  83          3HB       GLU  83  15.774   6.115   6.115
  650   1HG   GLU  83          2HG       GLU  83  12.955   6.212   6.212
  651   2HG   GLU  83          3HG       GLU  83  13.179   6.755   6.755
  652    H    LEU  84           HN       LEU  84  16.064   8.989   8.989
  653    HA   LEU  84           HA       LEU  84  18.850   8.341   8.341
  654   1HB   LEU  84          2HB       LEU  84  18.138  10.491  10.491
  655   2HB   LEU  84          3HB       LEU  84  17.340  10.816  10.816
  656    HG   LEU  84           HG       LEU  84  20.318  10.373  10.373
  657   1HD1  LEU  84          2HD1      LEU  84  19.210  12.284  12.284
  658   2HD1  LEU  84          3HD1      LEU  84  19.372  13.175  13.175
  659   3HD1  LEU  84          1HD1      LEU  84  20.803  12.429  12.429
  660   1HD2  LEU  84          3HD2      LEU  84  18.340  11.290  11.290
  661   2HD2  LEU  84          1HD2      LEU  84  19.913  10.485  10.485
  662   3HD2  LEU  84          2HD2      LEU  84  19.843  12.240  12.240
  663    H    VAL  85           HN       VAL  85  16.409   8.477   8.477
  664    HA   VAL  85           HA       VAL  85  18.322   8.537   8.537
  665    HB   VAL  85           HB       VAL  85  15.358   8.013   8.013
  666   1HG1  VAL  85          1HG1      VAL  85  17.227   7.645   7.645
  667   2HG1  VAL  85          2HG1      VAL  85  15.663   8.431   8.431
  668   3HG1  VAL  85          3HG1      VAL  85  15.709   6.803   6.803
  669   1HG2  VAL  85          2HG2      VAL  85  16.742  10.366  10.366
  670   2HG2  VAL  85          3HG2      VAL  85  15.067  10.207  10.207
  671   3HG2  VAL  85          1HG2      VAL  85  16.413  10.258  10.258
  672    H    ASP  86           HN       ASP  86  16.477   6.052   6.052
  673    HA   ASP  86           HA       ASP  86  17.093   3.947   3.947
  674   1HB   ASP  86          2HB       ASP  86  16.604   3.965   3.965
  675   2HB   ASP  86          3HB       ASP  86  16.584   2.522   2.522
  676    H    HIS  87           HN       HIS  87  18.607   5.184   5.184
  677    HA   HIS  87           HA       HIS  87  20.619   3.277   3.277
  678   1HB   HIS  87          2HB       HIS  87  19.794   4.958   4.958
  679   2HB   HIS  87          3HB       HIS  87  20.847   6.126   6.126
  680    HD1  HIS  87           HD1      HIS  87  23.426   4.653   4.653
  681    HD2  HIS  87           HD2      HIS  87  21.107   4.087   4.087
  682    HE1  HIS  87           HE1      HIS  87  25.007   3.739   3.739
  683    H    TYR  88           HN       TYR  88  20.334   6.346   6.346
  684    HA   TYR  88           HA       TYR  88  23.069   6.453   6.453
  685   1HB   TYR  88          2HB       TYR  88  20.373   7.638   7.638
  686   2HB   TYR  88          3HB       TYR  88  21.719   7.900   7.900
  687    HD1  TYR  88           HD1      TYR  88  22.574   7.663   7.663
  688    HD2  TYR  88           HD2      TYR  88  21.350  10.353  10.353
  689    HE1  TYR  88           HE1      TYR  88  23.333   9.640   9.640
  690    HE2  TYR  88           HE2      TYR  88  22.113  12.320  12.320
  691    HH   TYR  88           HH       TYR  88  23.517  12.830  12.830
  692    H    LYS  89           HN       LYS  89  20.334   4.550   4.550
  693    HA   LYS  89           HA       LYS  89  21.368   4.142   4.142
  694   1HB   LYS  89          2HB       LYS  89  18.965   3.297   3.297
  695   2HB   LYS  89          3HB       LYS  89  19.466   2.270   2.270
  696   1HG   LYS  89          2HG       LYS  89  18.919   3.835   3.835
  697   2HG   LYS  89          3HG       LYS  89  19.478   5.182   5.182
  698   1HD   LYS  89          2HD       LYS  89  17.181   5.572   5.572
  699   2HD   LYS  89          3HD       LYS  89  17.359   4.608   4.608
  700   1HE   LYS  89          2HE       LYS  89  16.969   2.564   2.564
  701   2HE   LYS  89          3HE       LYS  89  16.231   3.797   3.797
  702   1HZ   LYS  89          3HZ       LYS  89  15.149   4.317   4.317
  703   2HZ   LYS  89          1HZ       LYS  89  15.319   2.697   2.697
  704   3HZ   LYS  89          2HZ       LYS  89  14.463   3.344   3.344
  705    H    LYS  90           HN       LYS  90  21.483   2.584   2.584
  706    HA   LYS  90           HA       LYS  90  22.562   0.147   0.147
  707   1HB   LYS  90          2HB       LYS  90  22.089   1.378   1.378
  708   2HB   LYS  90          3HB       LYS  90  23.181   0.013   0.013
  709   1HG   LYS  90          2HG       LYS  90  21.458  -1.442  -1.442
  710   2HG   LYS  90          3HG       LYS  90  20.791  -0.504  -0.504
  711   1HD   LYS  90          2HD       LYS  90  19.147  -0.612  -0.612
  712   2HD   LYS  90          3HD       LYS  90  19.706   1.040   1.040
  713   1HE   LYS  90          2HE       LYS  90  21.216   0.798   0.798
  714   2HE   LYS  90          3HE       LYS  90  20.904  -0.924  -0.924
  715   1HZ   LYS  90          3HZ       LYS  90  18.454   0.281   0.281
  716   2HZ   LYS  90          1HZ       LYS  90  19.401   1.189   1.189
  717   3HZ   LYS  90          2HZ       LYS  90  19.252  -0.414  -0.414
  718    H    GLY  91           HN       GLY  91  23.810   3.340   3.340
  719   1HA   GLY  91          1HA       GLY  91  26.261   2.957   2.957
  720   2HA   GLY  91          2HA       GLY  91  26.508   2.573   2.573
  721    H    ASN  92           HN       ASN  92  27.828   4.762   4.762
  722    HA   ASN  92           HA       ASN  92  26.346   7.125   7.125
  723   1HB   ASN  92          2HB       ASN  92  28.734   8.165   8.165
  724   2HB   ASN  92          3HB       ASN  92  28.220   7.276   7.276
  725   1HD2  ASN  92          2HD2      ASN  92  31.543   6.250   6.250
  726   2HD2  ASN  92          1HD2      ASN  92  30.657   7.728   7.728
  727    H    ASP  93           HN       ASP  93  28.875   5.310   5.310
  728    HA   ASP  93           HA       ASP  93  29.685   5.582   5.582
  729   1HB   ASP  93          2HB       ASP  93  27.364   4.537   4.537
  730   2HB   ASP  93          3HB       ASP  93  26.780   6.131   6.131
  731    H    GLY  94           HN       GLY  94  30.011   7.993   7.993
  732   1HA   GLY  94          1HA       GLY  94  30.721   9.908   9.908
  733   2HA   GLY  94          2HA       GLY  94  28.988  10.131  10.131
  734    H    LEU  95           HN       LEU  95  28.132   9.529   9.529
  735    HA   LEU  95           HA       LEU  95  28.713  11.976  11.976
  736   1HB   LEU  95          2HB       LEU  95  27.274   9.486   9.486
  737   2HB   LEU  95          3HB       LEU  95  27.383  10.949  10.949
  738    HG   LEU  95           HG       LEU  95  26.093  10.723  10.723
  739   1HD1  LEU  95          2HD1      LEU  95  25.112  10.083  10.083
  740   2HD1  LEU  95          3HD1      LEU  95  24.248  11.517  11.517
  741   3HD1  LEU  95          1HD1      LEU  95  24.270  10.018  10.018
  742   1HD2  LEU  95          1HD2      LEU  95  26.381  13.075  13.075
  743   2HD2  LEU  95          2HD2      LEU  95  26.983  12.925  12.925
  744   3HD2  LEU  95          3HD2      LEU  95  25.233  13.021  13.021
  745    H    CYS  96           HN       CYS  96  29.318  11.880  11.880
  746    HA   CYS  96           HA       CYS  96  32.004  10.971  10.971
  747   1HB   CYS  96          2HB       CYS  96  31.997  11.873  11.873
  748   2HB   CYS  96          3HB       CYS  96  31.530  13.030  13.030
  749    HG   CYS  96           HG       CYS  96  30.098  13.199  13.199
  750    H    GLN  97           HN       GLN  97  28.869  10.016  10.016
  751    HA   GLN  97           HA       GLN  97  29.997   7.401   7.401
  752   1HB   GLN  97          2HB       GLN  97  28.668   8.959   8.959
  753   2HB   GLN  97          3HB       GLN  97  29.207   7.294   7.294
  754   1HG   GLN  97          2HG       GLN  97  31.561   8.099   8.099
  755   2HG   GLN  97          3HG       GLN  97  30.973   9.746   9.746
  756   1HE2  GLN  97          2HE2      GLN  97  30.546   9.806   9.806
  757   2HE2  GLN  97          1HE2      GLN  97  30.005  10.454  10.454
  758    H    LYS  98           HN       LYS  98  28.424   5.730   5.730
  759    HA   LYS  98           HA       LYS  98  26.137   6.281   6.281
  760   1HB   LYS  98          2HB       LYS  98  25.606   3.979   3.979
  761   2HB   LYS  98          3HB       LYS  98  27.351   4.095   4.095
  762   1HG   LYS  98          2HG       LYS  98  27.391   4.125   4.125
  763   2HG   LYS  98          3HG       LYS  98  25.683   3.735   3.735
  764   1HD   LYS  98          2HD       LYS  98  26.925   1.900   1.900
  765   2HD   LYS  98          3HD       LYS  98  27.980   1.974   1.974
  766   1HE   LYS  98          2HE       LYS  98  26.162   1.386   1.386
  767   2HE   LYS  98          3HE       LYS  98  24.964   1.589   1.589
  768   1HZ   LYS  98          2HZ       LYS  98  26.962  -0.239  -0.239
  769   2HZ   LYS  98          3HZ       LYS  98  26.276  -0.704  -0.704
  770   3HZ   LYS  98          1HZ       LYS  98  25.346  -0.455  -0.455
  771    H    LEU  99           HN       LEU  99  23.824   5.744   5.744
  772    HA   LEU  99           HA       LEU  99  23.306   7.377   7.377
  773   1HB   LEU  99          2HB       LEU  99  21.573   6.126   6.126
  774   2HB   LEU  99          3HB       LEU  99  20.907   6.952   6.952
  775    HG   LEU  99           HG       LEU  99  22.548   8.111   8.111
  776   1HD1  LEU  99          3HD1      LEU  99  20.101   7.864   7.864
  777   2HD1  LEU  99          1HD1      LEU  99  19.845   8.902   8.902
  778   3HD1  LEU  99          2HD1      LEU  99  20.646   9.559   9.559
  779   1HD2  LEU  99          2HD2      LEU  99  22.262   9.102   9.102
  780   2HD2  LEU  99          3HD2      LEU  99  23.578   9.329   9.329
  781   3HD2  LEU  99          1HD2      LEU  99  22.088  10.294  10.294
  782    H    SER 100           HN       SER 100  22.719   6.668   6.668
  783    HA   SER 100           HA       SER 100  22.745   3.804   3.804
  784   1HB   SER 100          2HB       SER 100  22.982   4.302   4.302
  785   2HB   SER 100          3HB       SER 100  24.168   5.195   5.195
  786    HG   SER 100           HG       SER 100  23.102   6.512   6.512
  787    H    VAL 101           HN       VAL 101  20.896   6.367   6.367
  788    HA   VAL 101           HA       VAL 101  18.424   4.988   4.988
  789    HB   VAL 101           HB       VAL 101  17.684   5.313   5.313
  790   1HG1  VAL 101          2HG1      VAL 101  18.455   3.133   3.133
  791   2HG1  VAL 101          3HG1      VAL 101  20.011   3.392   3.392
  792   3HG1  VAL 101          1HG1      VAL 101  18.519   3.208   3.208
  793   1HG2  VAL 101          3HG2      VAL 101  20.583   6.053   6.053
  794   2HG2  VAL 101          1HG2      VAL 101  19.147   6.774   6.774
  795   3HG2  VAL 101          2HG2      VAL 101  19.769   5.207   5.207
  796    HA   PRO 102           HA       PRO 102  17.048   9.046   9.046
  797   1HB   PRO 102          2HB       PRO 102  14.338   8.735   8.735
  798   2HB   PRO 102          3HB       PRO 102  15.261   8.347   8.347
  799   1HG   PRO 102          2HG       PRO 102  14.074   6.513   6.513
  800   2HG   PRO 102          3HG       PRO 102  14.617   6.162   6.162
  801   1HD   PRO 102          2HD       PRO 102  15.988   5.531   5.531
  802   2HD   PRO 102          3HD       PRO 102  16.582   5.285   5.285
  803    H    CYS 103           HN       CYS 103  16.464  11.000  11.000
  804    HA   CYS 103           HA       CYS 103  16.962  11.179  11.179
  805   1HB   CYS 103          2HB       CYS 103  16.586  13.020  13.020
  806   2HB   CYS 103          3HB       CYS 103  14.927  13.017  13.017
  807    HG   CYS 103           HG       CYS 103  17.724  13.452  13.452
  808    H    MET 104           HN       MET 104  15.511  11.535  11.535
  809    HA   MET 104           HA       MET 104  13.313   9.687   9.687
  810   1HB   MET 104          2HB       MET 104  13.374   9.852   9.852
  811   2HB   MET 104          3HB       MET 104  15.021   9.696   9.696
  812   1HG   MET 104          2HG       MET 104  15.420  11.538  11.538
  813   2HG   MET 104          3HG       MET 104  14.755  12.433  12.433
  814   1HE   MET 104          2HE       MET 104  15.152  12.877  12.877
  815   2HE   MET 104          3HE       MET 104  13.779  13.943  13.943
  816   3HE   MET 104          1HE       MET 104  13.884  12.328  12.328
  817    H    SER 105           HN       SER 105  11.424  10.505  10.505
  818    HA   SER 105           HA       SER 105  10.756  13.228  13.228
  819   1HB   SER 105          2HB       SER 105   8.347  12.404  12.404
  820   2HB   SER 105          3HB       SER 105   9.511  12.042  12.042
  821    HG   SER 105           HG       SER 105   9.533  10.024  10.024
  822    H    SER 106           HN       SER 106   9.263  14.266  14.266
  823    HA   SER 106           HA       SER 106   8.334  12.756  12.756
  824   1HB   SER 106          2HB       SER 106  10.526  14.831  14.831
  825   2HB   SER 106          3HB       SER 106   9.576  14.102  14.102
  826    HG   SER 106           HG       SER 106  11.523  12.940  12.940
  827    H    LYS 107           HN       LYS 107   6.256  13.578  13.578
  828    HA   LYS 107           HA       LYS 107   6.000  16.476  16.476
  829   1HB   LYS 107          2HB       LYS 107   4.875  14.602  14.602
  830   2HB   LYS 107          3HB       LYS 107   3.682  14.595  14.595
  831   1HG   LYS 107          2HG       LYS 107   2.845  16.632  16.632
  832   2HG   LYS 107          3HG       LYS 107   4.441  17.336  17.336
  833   1HD   LYS 107          2HD       LYS 107   4.361  15.603  15.603
  834   2HD   LYS 107          3HD       LYS 107   2.684  16.101  16.101
  835   1HE   LYS 107          2HE       LYS 107   3.654  18.542  18.542
  836   2HE   LYS 107          3HE       LYS 107   5.138  17.844  17.844
  837   1HZ   LYS 107          3HZ       LYS 107   2.984  16.950  16.950
  838   2HZ   LYS 107          1HZ       LYS 107   2.918  18.579  18.579
  839   3HZ   LYS 107          2HZ       LYS 107   4.265  17.848  17.848

  Start of MODEL   12
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.364   1.037   1.037
    3   1HB   MET   1          2HB       MET   1   3.055  -1.755  -1.755
    4   2HB   MET   1          3HB       MET   1   3.570  -1.310  -1.310
    5   1HG   MET   1          2HG       MET   1   4.464   0.895   0.895
    6   2HG   MET   1          3HG       MET   1   4.408  -0.117  -0.117
    7   1HE   MET   1          1HE       MET   1   6.450   0.058   0.058
    8   2HE   MET   1          2HE       MET   1   7.521  -1.325  -1.325
    9   3HE   MET   1          3HE       MET   1   7.828   0.246   0.246
   10    H    GLU   2           HN       GLU   2   1.419   1.310   1.310
   11    HA   GLU   2           HA       GLU   2   0.278   0.939   0.939
   12   1HB   GLU   2          2HB       GLU   2   1.849  -1.282  -1.282
   13   2HB   GLU   2          3HB       GLU   2   0.273  -2.048  -2.048
   14   1HG   GLU   2          2HG       GLU   2  -0.339  -0.957  -0.957
   15   2HG   GLU   2          3HG       GLU   2   1.114   0.021   0.021
   16    H    THR   3           HN       THR   3  -1.919   0.881   0.881
   17    HA   THR   3           HA       THR   3  -3.689  -0.703  -0.703
   18    HB   THR   3           HB       THR   3  -5.121   1.396   1.396
   19    HG1  THR   3           HG1      THR   3  -3.659   3.364   3.364
   20   1HG2  THR   3          3HG2      THR   3  -3.305   0.646   0.646
   21   2HG2  THR   3          1HG2      THR   3  -2.308   1.943   1.943
   22   3HG2  THR   3          2HG2      THR   3  -3.863   2.334   2.334
   23    H    GLU   4           HN       GLU   4  -6.065  -0.408  -0.408
   24    HA   GLU   4           HA       GLU   4  -5.985  -0.085  -0.085
   25   1HB   GLU   4          2HB       GLU   4  -6.780  -2.671  -2.671
   26   2HB   GLU   4          3HB       GLU   4  -7.251  -2.303  -2.303
   27   1HG   GLU   4          2HG       GLU   4  -4.356  -2.323  -2.323
   28   2HG   GLU   4          3HG       GLU   4  -5.132  -3.690  -3.690
   29    H    GLU   5           HN       GLU   5  -7.424   1.643   1.643
   30    HA   GLU   5           HA       GLU   5  -9.989   1.073   1.073
   31   1HB   GLU   5          2HB       GLU   5  -8.235   3.450   3.450
   32   2HB   GLU   5          3HB       GLU   5  -9.894   3.842   3.842
   33   1HG   GLU   5          2HG       GLU   5 -10.729   2.734   2.734
   34   2HG   GLU   5          3HG       GLU   5  -9.147   2.069   2.069
   35    H    TRP   6           HN       TRP   6  -9.616   0.030   0.030
   36    HA   TRP   6           HA       TRP   6 -10.424   1.954   1.954
   37   1HB   TRP   6          2HB       TRP   6 -10.557  -0.201  -0.201
   38   2HB   TRP   6          3HB       TRP   6  -8.991   0.404   0.404
   39    HD1  TRP   6           HD1      TRP   6  -7.516  -1.225  -1.225
   40    HE1  TRP   6           HE1      TRP   6  -7.731  -3.672  -3.672
   41    HE3  TRP   6           HE3      TRP   6 -12.453  -1.783  -1.783
   42    HZ2  TRP   6           HZ2      TRP   6  -9.892  -5.525  -5.525
   43    HZ3  TRP   6           HZ3      TRP   6 -13.539  -3.942  -3.942
   44    HH2  TRP   6           HH2      TRP   6 -12.341  -5.775  -5.775
   45    H    PHE   7           HN       PHE   7 -11.847  -0.177  -0.177
   46    HA   PHE   7           HA       PHE   7 -14.384  -0.244  -0.244
   47   1HB   PHE   7          2HB       PHE   7 -13.743  -2.328  -2.328
   48   2HB   PHE   7          3HB       PHE   7 -13.102  -1.510  -1.510
   49    HD1  PHE   7           HD1      PHE   7 -16.332  -2.096  -2.096
   50    HD2  PHE   7           HD2      PHE   7 -14.373  -1.443  -1.443
   51    HE1  PHE   7           HE1      PHE   7 -18.493  -2.498  -2.498
   52    HE2  PHE   7           HE2      PHE   7 -16.533  -1.845  -1.845
   53   1HZ   PHE   7           HZ       PHE   7 -18.567  -2.368  -2.368
   54    H    PHE   8           HN       PHE   8 -16.206   0.902   0.902
   55    HA   PHE   8           HA       PHE   8 -15.815   2.689   2.689
   56   1HB   PHE   8          2HB       PHE   8 -16.974   2.934   2.934
   57   2HB   PHE   8          3HB       PHE   8 -17.758   3.871   3.871
   58    HD1  PHE   8           HD1      PHE   8 -16.443   5.590   5.590
   59    HD2  PHE   8           HD2      PHE   8 -14.871   3.593   3.593
   60    HE1  PHE   8           HE1      PHE   8 -14.698   7.378   7.378
   61    HE2  PHE   8           HE2      PHE   8 -13.126   5.381   5.381
   62   1HZ   PHE   8           HZ       PHE   8 -13.060   7.252   7.252
   63    H    LYS   9           HN       LYS   9 -17.823   3.303   3.303
   64    HA   LYS   9           HA       LYS   9 -19.810   1.144   1.144
   65   1HB   LYS   9          2HB       LYS   9 -20.024   1.164   1.164
   66   2HB   LYS   9          3HB       LYS   9 -18.309   1.081   1.081
   67   1HG   LYS   9          2HG       LYS   9 -19.245   3.868   3.868
   68   2HG   LYS   9          3HG       LYS   9 -19.598   2.983   2.983
   69   1HD   LYS   9          2HD       LYS   9 -16.846   2.940   2.940
   70   2HD   LYS   9          3HD       LYS   9 -17.295   4.133   4.133
   71   1HE   LYS   9          2HE       LYS   9 -18.046   1.536   1.536
   72   2HE   LYS   9          3HE       LYS   9 -16.401   1.422   1.422
   73   1HZ   LYS   9          2HZ       LYS   9 -16.230   3.686   3.686
   74   2HZ   LYS   9          3HZ       LYS   9 -17.450   3.040   3.040
   75   3HZ   LYS   9          1HZ       LYS   9 -16.022   2.256   2.256
   76    H    GLY  10           HN       GLY  10 -22.025   1.720   1.720
   77   1HA   GLY  10          1HA       GLY  10 -23.757   3.051   3.051
   78   2HA   GLY  10          2HA       GLY  10 -23.181   4.024   4.024
   79    H    ILE  11           HN       ILE  11 -22.079   3.359   3.359
   80    HA   ILE  11           HA       ILE  11 -21.707   6.257   6.257
   81    HB   ILE  11           HB       ILE  11 -19.898   4.241   4.241
   82   1HG1  ILE  11          2HG1      ILE  11 -19.985   6.990   6.990
   83   2HG1  ILE  11          3HG1      ILE  11 -19.369   6.590   6.590
   84   1HG2  ILE  11          3HG2      ILE  11 -21.341   3.640   3.640
   85   2HG2  ILE  11          1HG2      ILE  11 -20.560   5.059   5.059
   86   3HG2  ILE  11          2HG2      ILE  11 -19.569   3.703   3.703
   87   1HD1  ILE  11          3HD1      ILE  11 -18.006   4.821   4.821
   88   2HD1  ILE  11          1HD1      ILE  11 -18.046   6.371   6.371
   89   3HD1  ILE  11          2HD1      ILE  11 -17.341   6.289   6.289
   90    H    SER  12           HN       SER  12 -22.248   7.194   7.194
   91    HA   SER  12           HA       SER  12 -24.543   5.762   5.762
   92   1HB   SER  12          2HB       SER  12 -25.648   7.796   7.796
   93   2HB   SER  12          3HB       SER  12 -24.761   8.111   8.111
   94    HG   SER  12           HG       SER  12 -23.993   9.803   9.803
   95    H    ARG  13           HN       ARG  13 -24.946   6.160   6.160
   96    HA   ARG  13           HA       ARG  13 -22.556   5.674   5.674
   97   1HB   ARG  13          2HB       ARG  13 -24.903   4.796   4.796
   98   2HB   ARG  13          3HB       ARG  13 -25.277   6.390   6.390
   99   1HG   ARG  13          2HG       ARG  13 -22.757   5.069   5.069
  100   2HG   ARG  13          3HG       ARG  13 -24.283   4.428   4.428
  101   1HD   ARG  13          2HD       ARG  13 -24.070   7.409   7.409
  102   2HD   ARG  13          3HD       ARG  13 -22.976   6.570   6.570
  103    HE   ARG  13           HE       ARG  13 -25.609   5.427   5.427
  104   1HH1  ARG  13          2HH2      ARG  13 -23.784   8.304   8.304
  105   2HH1  ARG  13          1HH2      ARG  13 -24.764   8.661   8.661
  106   1HH2  ARG  13          2HH1      ARG  13 -26.903   5.897   5.897
  107   2HH2  ARG  13          1HH1      ARG  13 -26.550   7.282   7.282
  108    H    LYS  14           HN       LYS  14 -24.498   8.536   8.536
  109    HA   LYS  14           HA       LYS  14 -23.347  10.109  10.109
  110   1HB   LYS  14          2HB       LYS  14 -25.273  10.632  10.632
  111   2HB   LYS  14          3HB       LYS  14 -24.570  11.960  11.960
  112   1HG   LYS  14          2HG       LYS  14 -25.515  11.197  11.197
  113   2HG   LYS  14          3HG       LYS  14 -25.894   9.618   9.618
  114   1HD   LYS  14          2HD       LYS  14 -27.813  10.359  10.359
  115   2HD   LYS  14          3HD       LYS  14 -27.132  11.929  11.929
  116   1HE   LYS  14          2HE       LYS  14 -27.388  11.627  11.627
  117   2HE   LYS  14          3HE       LYS  14 -28.924  11.287  11.287
  118   1HZ   LYS  14          1HZ       LYS  14 -27.348  13.652  13.652
  119   2HZ   LYS  14          2HZ       LYS  14 -28.416  13.667  13.667
  120   3HZ   LYS  14          3HZ       LYS  14 -28.932  13.374  13.374
  121    H    ASP  15           HN       ASP  15 -22.868   9.530   9.530
  122    HA   ASP  15           HA       ASP  15 -21.015  11.643  11.643
  123   1HB   ASP  15          2HB       ASP  15 -21.924   9.311   9.311
  124   2HB   ASP  15          3HB       ASP  15 -20.425  10.102  10.102
  125    H    ALA  16           HN       ALA  16 -20.970   8.177   8.177
  126    HA   ALA  16           HA       ALA  16 -18.167   7.832   7.832
  127   1HB   ALA  16          2HB       ALA  16 -20.319   6.230   6.230
  128   2HB   ALA  16          3HB       ALA  16 -18.634   5.686   5.686
  129   3HB   ALA  16          1HB       ALA  16 -19.646   5.935   5.935
  130    H    GLU  17           HN       GLU  17 -20.276   9.078   9.078
  131    HA   GLU  17           HA       GLU  17 -18.307   8.728   8.728
  132   1HB   GLU  17          2HB       GLU  17 -21.075   9.866   9.866
  133   2HB   GLU  17          3HB       GLU  17 -20.067  10.465  10.465
  134   1HG   GLU  17          2HG       GLU  17 -19.561   7.788   7.788
  135   2HG   GLU  17          3HG       GLU  17 -21.178   7.716   7.716
  136    H    ARG  18           HN       ARG  18 -19.152  11.126  11.126
  137    HA   ARG  18           HA       ARG  18 -17.841  13.243  13.243
  138   1HB   ARG  18          2HB       ARG  18 -18.860  12.976  12.976
  139   2HB   ARG  18          3HB       ARG  18 -18.203  14.461  14.461
  140   1HG   ARG  18          2HG       ARG  18 -20.288  13.258  13.258
  141   2HG   ARG  18          3HG       ARG  18 -20.879  13.668  13.668
  142   1HD   ARG  18          2HD       ARG  18 -19.503  15.950  15.950
  143   2HD   ARG  18          3HD       ARG  18 -19.821  15.482  15.482
  144    HE   ARG  18           HE       ARG  18 -22.109  15.918  15.918
  145   1HH1  ARG  18          2HH2      ARG  18 -20.470  15.831  15.831
  146   2HH1  ARG  18          1HH2      ARG  18 -21.836  16.433  16.433
  147   1HH2  ARG  18          2HH1      ARG  18 -23.911  16.712  16.712
  148   2HH2  ARG  18          1HH1      ARG  18 -23.806  16.937  16.937
  149    H    GLN  19           HN       GLN  19 -17.024  10.667  10.667
  150    HA   GLN  19           HA       GLN  19 -14.657  11.961  11.961
  151   1HB   GLN  19          2HB       GLN  19 -15.830   9.181   9.181
  152   2HB   GLN  19          3HB       GLN  19 -14.243   9.591   9.591
  153   1HG   GLN  19          2HG       GLN  19 -15.467  11.665  11.665
  154   2HG   GLN  19          3HG       GLN  19 -16.932  10.748  10.748
  155   1HE2  GLN  19          2HE2      GLN  19 -16.215   8.118   8.118
  156   2HE2  GLN  19          1HE2      GLN  19 -16.973   8.498   8.498
  157    H    LEU  20           HN       LEU  20 -15.629   9.750   9.750
  158    HA   LEU  20           HA       LEU  20 -12.906   8.987   8.987
  159   1HB   LEU  20          2HB       LEU  20 -15.619   8.268   8.268
  160   2HB   LEU  20          3HB       LEU  20 -14.286   8.070   8.070
  161    HG   LEU  20           HG       LEU  20 -14.232   6.881   6.881
  162   1HD1  LEU  20          3HD1      LEU  20 -16.004   6.158   6.158
  163   2HD1  LEU  20          1HD1      LEU  20 -14.777   4.878   4.878
  164   3HD1  LEU  20          2HD1      LEU  20 -15.746   5.357   5.357
  165   1HD2  LEU  20          3HD2      LEU  20 -12.304   7.102   7.102
  166   2HD2  LEU  20          1HD2      LEU  20 -12.224   6.116   6.116
  167   3HD2  LEU  20          2HD2      LEU  20 -12.850   5.408   5.408
  168    H    LEU  21           HN       LEU  21 -15.372  11.317  11.317
  169    HA   LEU  21           HA       LEU  21 -13.785  12.077  12.077
  170   1HB   LEU  21          2HB       LEU  21 -16.398  12.973  12.973
  171   2HB   LEU  21          3HB       LEU  21 -15.608  13.903  13.903
  172    HG   LEU  21           HG       LEU  21 -16.077  10.975  10.975
  173   1HD1  LEU  21          1HD1      LEU  21 -18.178  12.899  12.899
  174   2HD1  LEU  21          2HD1      LEU  21 -18.287  12.261  12.261
  175   3HD1  LEU  21          3HD1      LEU  21 -18.277  11.143  11.143
  176   1HD2  LEU  21          1HD2      LEU  21 -14.752  12.492  12.492
  177   2HD2  LEU  21          2HD2      LEU  21 -16.067  11.539  11.539
  178   3HD2  LEU  21          3HD2      LEU  21 -16.304  13.271  13.271
  179    H    ALA  22           HN       ALA  22 -13.920  12.771  12.771
  180    HA   ALA  22           HA       ALA  22 -13.268  15.434  15.434
  181   1HB   ALA  22          2HB       ALA  22 -13.104  13.059  13.059
  182   2HB   ALA  22          3HB       ALA  22 -11.748  14.172  14.172
  183   3HB   ALA  22          1HB       ALA  22 -13.425  14.751  14.751
  184    HA   PRO  23           HA       PRO  23  -9.242  15.750  15.750
  185   1HB   PRO  23          2HB       PRO  23  -8.147  17.744  17.744
  186   2HB   PRO  23          3HB       PRO  23  -9.245  18.046  18.046
  187   1HG   PRO  23          2HG       PRO  23  -9.772  18.192  18.192
  188   2HG   PRO  23          3HG       PRO  23 -10.695  18.883  18.883
  189   1HD   PRO  23          2HD       PRO  23 -11.353  16.534  16.534
  190   2HD   PRO  23          3HD       PRO  23 -12.213  17.160  17.160
  191    H    GLY  24           HN       GLY  24  -9.634  14.979  14.979
  192   1HA   GLY  24          1HA       GLY  24  -6.966  14.539  14.539
  193   2HA   GLY  24          2HA       GLY  24  -8.374  13.771  13.771
  194    H    ASN  25           HN       ASN  25  -9.388  12.469  12.469
  195    HA   ASN  25           HA       ASN  25  -7.375  10.391  10.391
  196   1HB   ASN  25          2HB       ASN  25 -10.367  10.447  10.447
  197   2HB   ASN  25          3HB       ASN  25  -9.357   9.063   9.063
  198   1HD2  ASN  25          2HD2      ASN  25 -10.734   9.795   9.795
  199   2HD2  ASN  25          1HD2      ASN  25 -11.091  10.779  10.779
  200    H    MET  26           HN       MET  26  -7.309   9.216   9.216
  201    HA   MET  26           HA       MET  26  -8.038  10.922  10.922
  202   1HB   MET  26          2HB       MET  26  -5.746  11.075  11.075
  203   2HB   MET  26          3HB       MET  26  -5.730  11.683  11.683
  204   1HG   MET  26          2HG       MET  26  -5.274   8.921   8.921
  205   2HG   MET  26          3HG       MET  26  -4.370   9.322   9.322
  206   1HE   MET  26          1HE       MET  26  -2.200   9.138   9.138
  207   2HE   MET  26          2HE       MET  26  -1.234   9.928   9.928
  208   3HE   MET  26          3HE       MET  26  -2.244   8.518   8.518
  209    H    LEU  27           HN       LEU  27  -7.489   9.795   9.795
  210    HA   LEU  27           HA       LEU  27  -8.672   7.403   7.403
  211   1HB   LEU  27          2HB       LEU  27  -6.747   8.930   8.930
  212   2HB   LEU  27          3HB       LEU  27  -6.793   7.215   7.215
  213    HG   LEU  27           HG       LEU  27  -9.487   8.250   8.250
  214   1HD1  LEU  27          3HD1      LEU  27  -7.737  10.205  10.205
  215   2HD1  LEU  27          1HD1      LEU  27  -8.412   9.482   9.482
  216   3HD1  LEU  27          2HD1      LEU  27  -9.500  10.146  10.146
  217   1HD2  LEU  27          1HD2      LEU  27  -7.801   6.696   6.696
  218   2HD2  LEU  27          2HD2      LEU  27  -9.405   6.335   6.335
  219   3HD2  LEU  27          3HD2      LEU  27  -9.249   7.492   7.492
  220    H    GLY  28           HN       GLY  28  -8.362   5.488   5.488
  221   1HA   GLY  28          1HA       GLY  28  -6.766   3.589   3.589
  222   2HA   GLY  28          2HA       GLY  28  -5.568   4.705   4.705
  223    H    SER  29           HN       SER  29  -7.882   6.092   6.092
  224    HA   SER  29           HA       SER  29  -7.470   4.510   4.510
  225   1HB   SER  29          2HB       SER  29  -9.267   6.949   6.949
  226   2HB   SER  29          3HB       SER  29  -8.651   6.311   6.311
  227    HG   SER  29           HG       SER  29  -6.528   6.912   6.912
  228    H    PHE  30           HN       PHE  30  -8.831   2.943   2.943
  229    HA   PHE  30           HA       PHE  30 -11.540   2.865   2.865
  230   1HB   PHE  30          2HB       PHE  30 -11.294   0.406   0.406
  231   2HB   PHE  30          3HB       PHE  30  -9.896   1.044   1.044
  232    HD1  PHE  30           HD2      PHE  30 -11.080  -0.456  -0.456
  233    HD2  PHE  30           HD1      PHE  30  -7.695   0.933   0.933
  234    HE1  PHE  30           HE2      PHE  30  -9.567  -1.609  -1.609
  235    HE2  PHE  30           HE1      PHE  30  -6.182  -0.220  -0.220
  236   1HZ   PHE  30           HZ       PHE  30  -7.136  -1.477  -1.477
  237    H    MET  31           HN       MET  31 -13.213   1.916   1.916
  238    HA   MET  31           HA       MET  31 -12.478   1.720   1.720
  239   1HB   MET  31          2HB       MET  31 -14.320   3.367   3.367
  240   2HB   MET  31          3HB       MET  31 -12.971   4.119   4.119
  241   1HG   MET  31          2HG       MET  31 -14.249   4.698   4.698
  242   2HG   MET  31          3HG       MET  31 -15.030   3.131   3.131
  243   1HE   MET  31          1HE       MET  31 -14.700   6.446   6.446
  244   2HE   MET  31          2HE       MET  31 -16.236   6.686   6.686
  245   3HE   MET  31          3HE       MET  31 -15.021   5.551   5.551
  246    H    ILE  32           HN       ILE  32 -14.016   0.520   0.520
  247    HA   ILE  32           HA       ILE  32 -16.137  -0.692  -0.692
  248    HB   ILE  32           HB       ILE  32 -14.337  -1.890  -1.890
  249   1HG1  ILE  32          2HG1      ILE  32 -14.884  -2.869  -2.869
  250   2HG1  ILE  32          3HG1      ILE  32 -13.635  -1.689  -1.689
  251   1HG2  ILE  32          3HG2      ILE  32 -17.034  -2.762  -2.762
  252   2HG2  ILE  32          1HG2      ILE  32 -15.788  -3.999  -3.999
  253   3HG2  ILE  32          2HG2      ILE  32 -16.280  -2.901  -2.901
  254   1HD1  ILE  32          2HD1      ILE  32 -13.515  -3.952  -3.952
  255   2HD1  ILE  32          3HD1      ILE  32 -13.370  -4.474  -4.474
  256   3HD1  ILE  32          1HD1      ILE  32 -12.237  -3.271  -3.271
  257    H    ARG  33           HN       ARG  33 -18.174  -1.078  -1.078
  258    HA   ARG  33           HA       ARG  33 -18.461  -0.083  -0.083
  259   1HB   ARG  33          2HB       ARG  33 -20.177   1.571   1.571
  260   2HB   ARG  33          3HB       ARG  33 -18.750   1.939   1.939
  261   1HG   ARG  33          2HG       ARG  33 -19.717   0.851   0.851
  262   2HG   ARG  33          3HG       ARG  33 -21.089   0.282   0.282
  263   1HD   ARG  33          2HD       ARG  33 -22.019   2.459   2.459
  264   2HD   ARG  33          3HD       ARG  33 -20.490   3.254   3.254
  265    HE   ARG  33           HE       ARG  33 -20.896   3.085   3.085
  266   1HH1  ARG  33          2HH2      ARG  33 -23.043   0.890   0.890
  267   2HH1  ARG  33          1HH2      ARG  33 -23.965   0.484   0.484
  268   1HH2  ARG  33          2HH1      ARG  33 -22.112   2.550   2.550
  269   2HH2  ARG  33          1HH1      ARG  33 -23.431   1.435   1.435
  270    H    ASP  34           HN       ASP  34 -20.589  -0.707  -0.707
  271    HA   ASP  34           HA       ASP  34 -21.543  -3.091  -3.091
  272   1HB   ASP  34          2HB       ASP  34 -21.001  -2.728  -2.728
  273   2HB   ASP  34          3HB       ASP  34 -22.554  -1.920  -1.920
  274    H    SER  35           HN       SER  35 -23.891  -3.429  -3.429
  275    HA   SER  35           HA       SER  35 -25.108  -1.199  -1.199
  276   1HB   SER  35          2HB       SER  35 -25.513  -3.557  -3.557
  277   2HB   SER  35          3HB       SER  35 -26.337  -3.874  -3.874
  278    HG   SER  35           HG       SER  35 -27.268  -1.658  -1.658
  279    H    GLU  36           HN       GLU  36 -27.143  -0.121  -0.121
  280    HA   GLU  36           HA       GLU  36 -27.313   0.018   0.018
  281   1HB   GLU  36          2HB       GLU  36 -26.951   2.178   2.178
  282   2HB   GLU  36          3HB       GLU  36 -28.048   1.908   1.908
  283   1HG   GLU  36          2HG       GLU  36 -29.872   2.567   2.567
  284   2HG   GLU  36          3HG       GLU  36 -29.401   1.621   1.621
  285    H    THR  37           HN       THR  37 -29.378  -0.249  -0.249
  286    HA   THR  37           HA       THR  37 -31.704  -0.842  -0.842
  287    HB   THR  37           HB       THR  37 -32.764  -0.957  -0.957
  288    HG1  THR  37           HG1      THR  37 -31.317  -1.134  -1.134
  289   1HG2  THR  37          1HG2      THR  37 -32.428   1.307   1.307
  290   2HG2  THR  37          2HG2      THR  37 -30.864   1.429   1.429
  291   3HG2  THR  37          3HG2      THR  37 -32.376   1.378   1.378
  292    H    THR  38           HN       THR  38 -29.834  -2.591  -2.591
  293    HA   THR  38           HA       THR  38 -31.042  -5.072  -5.072
  294    HB   THR  38           HB       THR  38 -29.184  -4.273  -4.273
  295    HG1  THR  38           HG1      THR  38 -31.181  -4.350  -4.350
  296   1HG2  THR  38          2HG2      THR  38 -29.902  -6.939  -6.939
  297   2HG2  THR  38          3HG2      THR  38 -30.415  -6.714  -6.714
  298   3HG2  THR  38          1HG2      THR  38 -28.703  -6.514  -6.514
  299    H    LYS  39           HN       LYS  39 -29.984  -4.602  -4.602
  300    HA   LYS  39           HA       LYS  39 -27.270  -4.745  -4.745
  301   1HB   LYS  39          2HB       LYS  39 -27.847  -5.590  -5.590
  302   2HB   LYS  39          3HB       LYS  39 -28.758  -4.171  -4.171
  303   1HG   LYS  39          2HG       LYS  39 -30.739  -5.282  -5.282
  304   2HG   LYS  39          3HG       LYS  39 -30.146  -6.606  -6.606
  305   1HD   LYS  39          2HD       LYS  39 -29.363  -7.827  -7.827
  306   2HD   LYS  39          3HD       LYS  39 -29.171  -6.398  -6.398
  307   1HE   LYS  39          2HE       LYS  39 -31.699  -6.158  -6.158
  308   2HE   LYS  39          3HE       LYS  39 -31.825  -7.669  -7.669
  309   1HZ   LYS  39          2HZ       LYS  39 -30.268  -7.560  -7.560
  310   2HZ   LYS  39          3HZ       LYS  39 -31.894  -7.694  -7.694
  311   3HZ   LYS  39          1HZ       LYS  39 -31.013  -8.841  -8.841
  312    H    GLY  40           HN       GLY  40 -25.857  -6.535  -6.535
  313   1HA   GLY  40          1HA       GLY  40 -25.318  -8.795  -8.795
  314   2HA   GLY  40          2HA       GLY  40 -26.758  -9.202  -9.202
  315    H    SER  41           HN       SER  41 -25.998  -6.753  -6.753
  316    HA   SER  41           HA       SER  41 -24.087  -8.312  -8.312
  317   1HB   SER  41          2HB       SER  41 -26.197  -6.310  -6.310
  318   2HB   SER  41          3HB       SER  41 -25.048  -7.097  -7.097
  319    HG   SER  41           HG       SER  41 -25.961  -9.187  -9.187
  320    H    TYR  42           HN       TYR  42 -22.283  -7.217  -7.217
  321    HA   TYR  42           HA       TYR  42 -21.784  -4.571  -4.571
  322   1HB   TYR  42          2HB       TYR  42 -20.181  -7.016  -7.016
  323   2HB   TYR  42          3HB       TYR  42 -19.371  -5.462  -5.462
  324    HD1  TYR  42           HD2      TYR  42 -21.234  -7.840  -7.840
  325    HD2  TYR  42           HD1      TYR  42 -18.492  -4.561  -4.561
  326    HE1  TYR  42           HE2      TYR  42 -20.748  -8.093  -8.093
  327    HE2  TYR  42           HE1      TYR  42 -18.016  -4.825  -4.825
  328    HH   TYR  42           HH       TYR  42 -19.937  -6.431  -6.431
  329    H    SER  43           HN       SER  43 -20.446  -3.058  -3.058
  330    HA   SER  43           HA       SER  43 -20.708  -3.563  -3.563
  331   1HB   SER  43          2HB       SER  43 -21.688  -0.945  -0.945
  332   2HB   SER  43          3HB       SER  43 -21.826  -1.463  -1.463
  333    HG   SER  43           HG       SER  43 -23.818  -1.717  -1.717
  334    H    LEU  44           HN       LEU  44 -18.785  -3.024  -3.024
  335    HA   LEU  44           HA       LEU  44 -16.924  -1.415  -1.415
  336   1HB   LEU  44          2HB       LEU  44 -16.044  -3.483  -3.483
  337   2HB   LEU  44          3HB       LEU  44 -16.652  -3.289  -3.289
  338    HG   LEU  44           HG       LEU  44 -15.044  -1.461  -1.461
  339   1HD1  LEU  44          1HD1      LEU  44 -14.932  -1.230  -1.230
  340   2HD1  LEU  44          2HD1      LEU  44 -13.381  -2.013  -2.013
  341   3HD1  LEU  44          3HD1      LEU  44 -13.813  -0.469  -0.469
  342   1HD2  LEU  44          1HD2      LEU  44 -14.516  -4.213  -4.213
  343   2HD2  LEU  44          2HD2      LEU  44 -13.636  -2.996  -2.996
  344   3HD2  LEU  44          3HD2      LEU  44 -13.094  -3.397  -3.397
  345    H    SER  45           HN       SER  45 -15.747   0.376   0.376
  346    HA   SER  45           HA       SER  45 -16.986   1.423   1.423
  347   1HB   SER  45          2HB       SER  45 -16.600   3.257   3.257
  348   2HB   SER  45          3HB       SER  45 -17.548   3.540   3.540
  349    HG   SER  45           HG       SER  45 -19.199   2.315   2.315
  350    H    VAL  46           HN       VAL  46 -15.419   2.247   2.247
  351    HA   VAL  46           HA       VAL  46 -12.895   3.080   3.080
  352    HB   VAL  46           HB       VAL  46 -13.021   1.538   1.538
  353   1HG1  VAL  46          1HG1      VAL  46 -10.819   2.052   2.052
  354   2HG1  VAL  46          2HG1      VAL  46 -10.660   1.038   1.038
  355   3HG1  VAL  46          3HG1      VAL  46 -10.974   2.782   2.782
  356   1HG2  VAL  46          2HG2      VAL  46 -14.072   0.171   0.171
  357   2HG2  VAL  46          3HG2      VAL  46 -12.555  -0.521  -0.521
  358   3HG2  VAL  46          1HG2      VAL  46 -12.570   0.324   0.324
  359    H    ARG  47           HN       ARG  47 -11.672   4.640   4.640
  360    HA   ARG  47           HA       ARG  47 -13.512   6.355   6.355
  361   1HB   ARG  47          2HB       ARG  47 -11.865   7.312   7.312
  362   2HB   ARG  47          3HB       ARG  47 -10.537   6.644   6.644
  363   1HG   ARG  47          2HG       ARG  47 -10.658   8.280   8.280
  364   2HG   ARG  47          3HG       ARG  47 -12.410   8.328   8.328
  365   1HD   ARG  47          2HD       ARG  47 -12.384   9.648   9.648
  366   2HD   ARG  47          3HD       ARG  47 -10.638   9.520   9.520
  367    HE   ARG  47           HE       ARG  47 -11.275  10.625  10.625
  368   1HH1  ARG  47          2HH2      ARG  47 -11.488  11.500  11.500
  369   2HH1  ARG  47          1HH2      ARG  47 -11.369  13.202  13.202
  370   1HH2  ARG  47          2HH1      ARG  47 -11.118  12.871  12.871
  371   2HH2  ARG  47          1HH1      ARG  47 -11.157  13.987  13.987
  372    H    ASP  48           HN       ASP  48 -13.411   6.948   6.948
  373    HA   ASP  48           HA       ASP  48 -11.313   5.739   5.739
  374   1HB   ASP  48          2HB       ASP  48 -13.252   4.109   4.109
  375   2HB   ASP  48          3HB       ASP  48 -14.276   5.346   5.346
  376    H    TYR  49           HN       TYR  49 -11.393   6.664   6.664
  377    HA   TYR  49           HA       TYR  49 -12.923   9.163   9.163
  378   1HB   TYR  49          2HB       TYR  49 -10.406   9.311   9.311
  379   2HB   TYR  49          3HB       TYR  49 -10.001   8.702   8.702
  380    HD1  TYR  49           HD1      TYR  49 -10.785  10.072  10.072
  381    HD2  TYR  49           HD2      TYR  49 -10.749  11.617  11.617
  382    HE1  TYR  49           HE1      TYR  49 -10.828  12.445  12.445
  383    HE2  TYR  49           HE2      TYR  49 -10.792  13.985  13.985
  384    HH   TYR  49           HH       TYR  49 -11.634  14.693  14.693
  385    H    ASP  50           HN       ASP  50 -13.209   9.984   9.984
  386    HA   ASP  50           HA       ASP  50 -12.726   7.917   7.917
  387   1HB   ASP  50          2HB       ASP  50 -15.200   8.251   8.251
  388   2HB   ASP  50          3HB       ASP  50 -15.233   9.600   9.600
  389    HA   PRO  51           HA       PRO  51 -11.376  11.455  11.455
  390   1HB   PRO  51          2HB       PRO  51 -11.216  10.426  10.426
  391   2HB   PRO  51          3HB       PRO  51  -9.971  10.190  10.190
  392   1HG   PRO  51          2HG       PRO  51 -11.996   8.270   8.270
  393   2HG   PRO  51          3HG       PRO  51 -10.509   7.950   7.950
  394   1HD   PRO  51          2HD       PRO  51 -13.167   7.921   7.921
  395   2HD   PRO  51          3HD       PRO  51 -11.672   7.716   7.716
  396    H    ARG  52           HN       ARG  52 -14.412  10.267  10.267
  397    HA   ARG  52           HA       ARG  52 -15.164  12.258  12.258
  398   1HB   ARG  52          2HB       ARG  52 -16.391   9.675   9.675
  399   2HB   ARG  52          3HB       ARG  52 -17.488  10.926  10.926
  400   1HG   ARG  52          2HG       ARG  52 -16.986  10.514  10.514
  401   2HG   ARG  52          3HG       ARG  52 -15.269  10.695  10.695
  402   1HD   ARG  52          2HD       ARG  52 -14.950   8.398   8.398
  403   2HD   ARG  52          3HD       ARG  52 -16.609   8.146   8.146
  404    HE   ARG  52           HE       ARG  52 -15.603   8.170   8.170
  405   1HH1  ARG  52          2HH2      ARG  52 -18.432   8.322   8.322
  406   2HH1  ARG  52          1HH2      ARG  52 -19.533   7.825   7.825
  407   1HH2  ARG  52          2HH1      ARG  52 -17.055   7.514   7.514
  408   2HH2  ARG  52          1HH1      ARG  52 -18.745   7.362   7.362
  409    H    GLN  53           HN       GLN  53 -16.392  10.811  10.811
  410    HA   GLN  53           HA       GLN  53 -17.872  13.184  13.184
  411   1HB   GLN  53          2HB       GLN  53 -17.396  10.608  10.608
  412   2HB   GLN  53          3HB       GLN  53 -18.328  11.932  11.932
  413   1HG   GLN  53          2HG       GLN  53 -19.269  11.463  11.463
  414   2HG   GLN  53          3HG       GLN  53 -19.185   9.914   9.914
  415   1HE2  GLN  53          2HE2      GLN  53 -22.536  11.335  11.335
  416   2HE2  GLN  53          1HE2      GLN  53 -21.585  10.825  10.825
  417    H    GLY  54           HN       GLY  54 -15.177  11.416  11.416
  418   1HA   GLY  54          1HA       GLY  54 -13.239  12.949  12.949
  419   2HA   GLY  54          2HA       GLY  54 -14.417  13.993  13.993
  420    H    ASP  55           HN       ASP  55 -14.423  13.827  13.827
  421    HA   ASP  55           HA       ASP  55 -13.233  11.586  11.586
  422   1HB   ASP  55          2HB       ASP  55 -14.804  13.968  13.968
  423   2HB   ASP  55          3HB       ASP  55 -14.091  12.757  12.757
  424    H    THR  56           HN       THR  56 -14.286   9.762   9.762
  425    HA   THR  56           HA       THR  56 -17.140   9.888   9.888
  426    HB   THR  56           HB       THR  56 -17.717   8.175   8.175
  427    HG1  THR  56           HG1      THR  56 -14.794   8.006   8.006
  428   1HG2  THR  56          3HG2      THR  56 -15.539   9.864   9.864
  429   2HG2  THR  56          1HG2      THR  56 -16.770   8.903   8.903
  430   3HG2  THR  56          2HG2      THR  56 -17.258  10.309  10.309
  431    H    VAL  57           HN       VAL  57 -17.894   7.687   7.687
  432    HA   VAL  57           HA       VAL  57 -15.687   6.433   6.433
  433    HB   VAL  57           HB       VAL  57 -18.252   7.220   7.220
  434   1HG1  VAL  57          1HG1      VAL  57 -15.845   5.777   5.777
  435   2HG1  VAL  57          2HG1      VAL  57 -16.081   7.189   7.189
  436   3HG1  VAL  57          3HG1      VAL  57 -17.369   5.970   5.970
  437   1HG2  VAL  57          1HG2      VAL  57 -15.800   8.890   8.890
  438   2HG2  VAL  57          2HG2      VAL  57 -17.518   9.355   9.355
  439   3HG2  VAL  57          3HG2      VAL  57 -16.702   9.067   9.067
  440    H    LYS  58           HN       LYS  58 -15.798   4.249   4.249
  441    HA   LYS  58           HA       LYS  58 -18.237   3.138   3.138
  442   1HB   LYS  58          2HB       LYS  58 -15.373   2.270   2.270
  443   2HB   LYS  58          3HB       LYS  58 -16.614   1.047   1.047
  444   1HG   LYS  58          2HG       LYS  58 -16.806   3.441   3.441
  445   2HG   LYS  58          3HG       LYS  58 -15.481   2.335   2.335
  446   1HD   LYS  58          2HD       LYS  58 -17.201   1.423   1.423
  447   2HD   LYS  58          3HD       LYS  58 -17.299   0.447   0.447
  448   1HE   LYS  58          2HE       LYS  58 -19.336   1.329   1.329
  449   2HE   LYS  58          3HE       LYS  58 -18.920   2.946   2.946
  450   1HZ   LYS  58          1HZ       LYS  58 -19.431   0.795   0.795
  451   2HZ   LYS  58          2HZ       LYS  58 -20.641   1.712   1.712
  452   3HZ   LYS  58          3HZ       LYS  58 -19.443   2.407   2.407
  453    H    HIS  59           HN       HIS  59 -19.181   1.143   1.143
  454    HA   HIS  59           HA       HIS  59 -18.549   0.740   0.740
  455   1HB   HIS  59          2HB       HIS  59 -21.422   1.172   1.172
  456   2HB   HIS  59          3HB       HIS  59 -20.724   1.126   1.126
  457    HD1  HIS  59           HD1      HIS  59 -20.784   3.397   3.397
  458    HD2  HIS  59           HD2      HIS  59 -19.956   3.541   3.541
  459    HE1  HIS  59           HE1      HIS  59 -20.460   5.861   5.861
  460    H    TYR  60           HN       TYR  60 -18.616  -1.408  -1.408
  461    HA   TYR  60           HA       TYR  60 -19.913  -3.174  -3.174
  462   1HB   TYR  60          2HB       TYR  60 -17.494  -3.599  -3.599
  463   2HB   TYR  60          3HB       TYR  60 -18.052  -4.749  -4.749
  464    HD1  TYR  60           HD1      TYR  60 -18.178  -3.740  -3.740
  465    HD2  TYR  60           HD2      TYR  60 -15.688  -2.249  -2.249
  466    HE1  TYR  60           HE1      TYR  60 -16.625  -2.691  -2.691
  467    HE2  TYR  60           HE2      TYR  60 -14.143  -1.205  -1.205
  468    HH   TYR  60           HH       TYR  60 -14.325  -1.998  -1.998
  469    H    LYS  61           HN       LYS  61 -20.488  -5.383  -5.383
  470    HA   LYS  61           HA       LYS  61 -21.571  -4.917  -4.917
  471   1HB   LYS  61          2HB       LYS  61 -22.657  -6.251  -6.251
  472   2HB   LYS  61          3HB       LYS  61 -23.097  -6.921  -6.921
  473   1HG   LYS  61          2HG       LYS  61 -23.298  -3.929  -3.929
  474   2HG   LYS  61          3HG       LYS  61 -24.556  -4.981  -4.981
  475   1HD   LYS  61          2HD       LYS  61 -24.507  -6.003  -6.003
  476   2HD   LYS  61          3HD       LYS  61 -23.752  -4.477  -4.477
  477   1HE   LYS  61          2HE       LYS  61 -26.245  -4.374  -4.374
  478   2HE   LYS  61          3HE       LYS  61 -26.436  -4.796  -4.796
  479   1HZ   LYS  61          2HZ       LYS  61 -25.033  -2.773  -2.773
  480   2HZ   LYS  61          3HZ       LYS  61 -25.287  -2.346  -2.346
  481   3HZ   LYS  61          1HZ       LYS  61 -26.552  -2.499  -2.499
  482    H    ILE  62           HN       ILE  62 -21.113  -6.359  -6.359
  483    HA   ILE  62           HA       ILE  62 -19.267  -8.516  -8.516
  484    HB   ILE  62           HB       ILE  62 -19.416  -6.749  -6.749
  485   1HG1  ILE  62          2HG1      ILE  62 -16.929  -7.387  -7.387
  486   2HG1  ILE  62          3HG1      ILE  62 -18.092  -6.283  -6.283
  487   1HG2  ILE  62          1HG2      ILE  62 -18.668  -9.539  -9.539
  488   2HG2  ILE  62          2HG2      ILE  62 -17.272  -8.524  -8.524
  489   3HG2  ILE  62          3HG2      ILE  62 -18.770  -8.432  -8.432
  490   1HD1  ILE  62          1HD1      ILE  62 -17.476  -5.792  -5.792
  491   2HD1  ILE  62          2HD1      ILE  62 -16.138  -5.502  -5.502
  492   3HD1  ILE  62          3HD1      ILE  62 -17.678  -4.632  -4.632
  493    H    ARG  63           HN       ARG  63 -20.651 -10.240 -10.240
  494    HA   ARG  63           HA       ARG  63 -22.682 -10.647 -10.647
  495   1HB   ARG  63          2HB       ARG  63 -22.054 -12.071 -12.071
  496   2HB   ARG  63          3HB       ARG  63 -23.345 -12.577 -12.577
  497   1HG   ARG  63          2HG       ARG  63 -23.326  -9.666  -9.666
  498   2HG   ARG  63          3HG       ARG  63 -23.658 -10.746 -10.746
  499   1HD   ARG  63          2HD       ARG  63 -25.547 -11.754 -11.754
  500   2HD   ARG  63          3HD       ARG  63 -25.129 -10.942 -10.942
  501    HE   ARG  63           HE       ARG  63 -25.497  -8.948  -8.948
  502   1HH1  ARG  63          2HH2      ARG  63 -27.380 -11.296 -11.296
  503   2HH1  ARG  63          1HH2      ARG  63 -28.846 -10.377 -10.377
  504   1HH2  ARG  63          2HH1      ARG  63 -27.430  -7.735  -7.735
  505   2HH2  ARG  63          1HH1      ARG  63 -28.874  -8.338  -8.338
  506    H    THR  64           HN       THR  64 -22.800 -12.591 -12.591
  507    HA   THR  64           HA       THR  64 -20.195 -13.893 -13.893
  508    HB   THR  64           HB       THR  64 -20.890 -14.250 -14.250
  509    HG1  THR  64           HG1      THR  64 -23.537 -13.679 -13.679
  510   1HG2  THR  64          3HG2      THR  64 -20.726 -11.757 -11.757
  511   2HG2  THR  64          1HG2      THR  64 -22.478 -11.762 -11.762
  512   3HG2  THR  64          2HG2      THR  64 -21.863 -12.145 -12.145
  513    H    LEU  65           HN       LEU  65 -20.199 -16.256 -16.256
  514    HA   LEU  65           HA       LEU  65 -22.104 -17.581 -17.581
  515   1HB   LEU  65          2HB       LEU  65 -19.333 -18.397 -18.397
  516   2HB   LEU  65          3HB       LEU  65 -20.393 -19.366 -19.366
  517    HG   LEU  65           HG       LEU  65 -19.654 -16.584 -16.584
  518   1HD1  LEU  65          2HD1      LEU  65 -17.668 -18.338 -18.338
  519   2HD1  LEU  65          3HD1      LEU  65 -17.941 -18.730 -18.730
  520   3HD1  LEU  65          1HD1      LEU  65 -17.542 -17.063 -17.063
  521   1HD2  LEU  65          1HD2      LEU  65 -20.335 -19.125 -19.125
  522   2HD2  LEU  65          2HD2      LEU  65 -21.401 -17.724 -17.724
  523   3HD2  LEU  65          3HD2      LEU  65 -19.939 -17.555 -17.555
  524    H    ASP  66           HN       ASP  66 -23.011 -19.649 -19.649
  525    HA   ASP  66           HA       ASP  66 -24.093 -19.583 -19.583
  526   1HB   ASP  66          2HB       ASP  66 -24.308 -21.202 -21.202
  527   2HB   ASP  66          3HB       ASP  66 -23.526 -22.308 -22.308
  528    H    ASN  67           HN       ASN  67 -21.144 -21.323 -21.323
  529    HA   ASN  67           HA       ASN  67 -20.340 -21.586 -21.586
  530   1HB   ASN  67          2HB       ASN  67 -20.484 -23.712 -23.712
  531   2HB   ASN  67          3HB       ASN  67 -19.147 -23.793 -23.793
  532   1HD2  ASN  67          2HD2      ASN  67 -22.941 -24.850 -24.850
  533   2HD2  ASN  67          1HD2      ASN  67 -22.485 -24.281 -24.281
  534    H    GLY  68           HN       GLY  68 -19.355 -19.435 -19.435
  535   1HA   GLY  68          1HA       GLY  68 -16.632 -20.125 -20.125
  536   2HA   GLY  68          2HA       GLY  68 -17.583 -19.167 -19.167
  537    H    GLY  69           HN       GLY  69 -17.326 -16.989 -16.989
  538   1HA   GLY  69          1HA       GLY  69 -17.216 -15.775 -15.775
  539   2HA   GLY  69          2HA       GLY  69 -15.770 -15.616 -15.616
  540    H    PHE  70           HN       PHE  70 -15.710 -14.168 -14.168
  541    HA   PHE  70           HA       PHE  70 -18.232 -12.950 -12.950
  542   1HB   PHE  70          2HB       PHE  70 -15.697 -11.403 -11.403
  543   2HB   PHE  70          3HB       PHE  70 -17.252 -10.700 -10.700
  544    HD1  PHE  70           HD1      PHE  70 -15.768 -13.096 -13.096
  545    HD2  PHE  70           HD2      PHE  70 -18.621 -10.038 -10.038
  546    HE1  PHE  70           HE1      PHE  70 -16.403 -13.118 -13.118
  547    HE2  PHE  70           HE2      PHE  70 -19.256 -10.060 -10.060
  548   1HZ   PHE  70           HZ       PHE  70 -18.140 -11.600 -11.600
  549    H    TYR  71           HN       TYR  71 -18.316 -12.562 -12.562
  550    HA   TYR  71           HA       TYR  71 -15.761 -12.436 -12.436
  551   1HB   TYR  71          2HB       TYR  71 -16.688 -14.079 -14.079
  552   2HB   TYR  71          3HB       TYR  71 -16.855 -14.768 -14.768
  553    HD1  TYR  71           HD2      TYR  71 -19.121 -14.624 -14.624
  554    HD2  TYR  71           HD1      TYR  71 -18.585 -13.713 -13.713
  555    HE1  TYR  71           HE2      TYR  71 -21.614 -14.924 -14.924
  556    HE2  TYR  71           HE1      TYR  71 -21.080 -14.016 -14.016
  557    HH   TYR  71           HH       TYR  71 -23.214 -13.750 -13.750
  558    H    ILE  72           HN       ILE  72 -15.799 -11.186 -11.186
  559    HA   ILE  72           HA       ILE  72 -18.239  -9.576  -9.576
  560    HB   ILE  72           HB       ILE  72 -15.366  -8.884  -8.884
  561   1HG1  ILE  72          2HG1      ILE  72 -17.189  -7.806  -7.806
  562   2HG1  ILE  72          3HG1      ILE  72 -15.953  -9.022  -9.022
  563   1HG2  ILE  72          3HG2      ILE  72 -17.940  -7.608  -7.608
  564   2HG2  ILE  72          1HG2      ILE  72 -16.683  -6.527  -6.527
  565   3HG2  ILE  72          2HG2      ILE  72 -16.347  -7.522  -7.522
  566   1HD1  ILE  72          2HD1      ILE  72 -14.665  -6.929  -6.929
  567   2HD1  ILE  72          3HD1      ILE  72 -15.658  -6.138  -6.138
  568   3HD1  ILE  72          1HD1      ILE  72 -14.447  -7.356  -7.356
  569    H    SER  73           HN       SER  73 -15.537 -11.164 -11.164
  570    HA   SER  73           HA       SER  73 -17.252 -11.053 -11.053
  571   1HB   SER  73          2HB       SER  73 -14.736 -10.240 -10.240
  572   2HB   SER  73          3HB       SER  73 -14.359 -11.946 -11.946
  573    HG   SER  73           HG       SER  73 -15.932 -10.376 -10.376
  574    HA   PRO  74           HA       PRO  74 -17.876 -15.348 -15.348
  575   1HB   PRO  74          2HB       PRO  74 -18.979 -15.902 -15.902
  576   2HB   PRO  74          3HB       PRO  74 -19.895 -15.236 -15.236
  577   1HG   PRO  74          2HG       PRO  74 -18.920 -13.877 -13.877
  578   2HG   PRO  74          3HG       PRO  74 -20.169 -13.365 -13.365
  579   1HD   PRO  74          2HD       PRO  74 -17.491 -12.350 -12.350
  580   2HD   PRO  74          3HD       PRO  74 -18.704 -11.922 -11.922
  581    H    ARG  75           HN       ARG  75 -15.299 -15.022 -15.022
  582    HA   ARG  75           HA       ARG  75 -14.588 -17.042 -17.042
  583   1HB   ARG  75          2HB       ARG  75 -12.912 -14.543 -14.543
  584   2HB   ARG  75          3HB       ARG  75 -12.489 -15.830 -15.830
  585   1HG   ARG  75          2HG       ARG  75 -15.124 -14.366 -14.366
  586   2HG   ARG  75          3HG       ARG  75 -13.644 -13.630 -13.630
  587   1HD   ARG  75          2HD       ARG  75 -13.309 -16.112 -16.112
  588   2HD   ARG  75          3HD       ARG  75 -15.060 -16.090 -16.090
  589    HE   ARG  75           HE       ARG  75 -14.438 -13.628 -13.628
  590   1HH1  ARG  75          2HH2      ARG  75 -13.621 -16.956 -16.956
  591   2HH1  ARG  75          1HH2      ARG  75 -13.480 -16.648 -16.648
  592   1HH2  ARG  75          2HH1      ARG  75 -14.251 -13.221 -13.221
  593   2HH2  ARG  75          1HH1      ARG  75 -13.841 -14.510 -14.510
  594    H    SER  76           HN       SER  76 -13.099 -14.948 -14.948
  595    HA   SER  76           HA       SER  76 -12.346 -17.418 -17.418
  596   1HB   SER  76          2HB       SER  76 -10.579 -14.997 -14.997
  597   2HB   SER  76          3HB       SER  76 -10.185 -16.199 -16.199
  598    HG   SER  76           HG       SER  76  -9.449 -16.345 -16.345
  599    H    THR  77           HN       THR  77 -13.524 -17.387 -17.387
  600    HA   THR  77           HA       THR  77 -14.232 -14.836 -14.836
  601    HB   THR  77           HB       THR  77 -15.653 -16.297 -16.297
  602    HG1  THR  77           HG1      THR  77 -15.394 -18.654 -18.654
  603   1HG2  THR  77          1HG2      THR  77 -15.695 -16.435 -16.435
  604   2HG2  THR  77          2HG2      THR  77 -16.389 -17.888 -17.888
  605   3HG2  THR  77          3HG2      THR  77 -17.056 -16.282 -16.282
  606    H    PHE  78           HN       PHE  78 -14.040 -14.611 -14.611
  607    HA   PHE  78           HA       PHE  78 -11.458 -15.708 -15.708
  608   1HB   PHE  78          2HB       PHE  78 -12.602 -12.899 -12.899
  609   2HB   PHE  78          3HB       PHE  78 -10.994 -13.444 -13.444
  610    HD1  PHE  78           HD1      PHE  78 -13.188 -12.626 -12.626
  611    HD2  PHE  78           HD2      PHE  78  -9.214 -13.351 -13.351
  612    HE1  PHE  78           HE1      PHE  78 -12.316 -11.795 -11.795
  613    HE2  PHE  78           HE2      PHE  78  -8.342 -12.521 -12.521
  614   1HZ   PHE  78           HZ       PHE  78  -9.903 -11.753 -11.753
  615    H    SER  79           HN       SER  79 -11.322 -16.342 -16.342
  616    HA   SER  79           HA       SER  79 -13.802 -16.762 -16.762
  617   1HB   SER  79          2HB       SER  79 -11.023 -17.109 -17.109
  618   2HB   SER  79          3HB       SER  79 -12.498 -17.905 -17.905
  619    HG   SER  79           HG       SER  79 -10.905 -18.367 -18.367
  620    H    THR  80           HN       THR  80 -11.181 -14.370 -14.370
  621    HA   THR  80           HA       THR  80 -12.730 -12.979 -12.979
  622    HB   THR  80           HB       THR  80 -10.554 -12.356 -12.356
  623    HG1  THR  80           HG1      THR  80  -8.657 -13.154 -13.154
  624   1HG2  THR  80          2HG2      THR  80 -10.955 -15.340 -15.340
  625   2HG2  THR  80          3HG2      THR  80  -9.685 -14.723 -14.723
  626   3HG2  THR  80          1HG2      THR  80 -11.399 -14.431 -14.431
  627    H    LEU  81           HN       LEU  81 -12.676 -10.682 -10.682
  628    HA   LEU  81           HA       LEU  81 -12.548  -9.711  -9.711
  629   1HB   LEU  81          2HB       LEU  81 -13.153  -8.528  -8.528
  630   2HB   LEU  81          3HB       LEU  81 -12.952  -7.493  -7.493
  631    HG   LEU  81           HG       LEU  81 -14.910  -9.793  -9.793
  632   1HD1  LEU  81          3HD1      LEU  81 -15.362  -8.251  -8.251
  633   2HD1  LEU  81          1HD1      LEU  81 -15.552  -6.927  -6.927
  634   3HD1  LEU  81          2HD1      LEU  81 -16.664  -8.317  -8.317
  635   1HD2  LEU  81          1HD2      LEU  81 -14.364  -7.446  -7.446
  636   2HD2  LEU  81          2HD2      LEU  81 -14.674  -9.150  -9.150
  637   3HD2  LEU  81          3HD2      LEU  81 -16.015  -8.103  -8.103
  638    H    GLN  82           HN       GLN  82 -10.269 -10.059 -10.059
  639    HA   GLN  82           HA       GLN  82  -8.623  -7.901  -7.901
  640   1HB   GLN  82          2HB       GLN  82  -8.709  -9.059  -9.059
  641   2HB   GLN  82          3HB       GLN  82  -7.813 -10.385 -10.385
  642   1HG   GLN  82          2HG       GLN  82  -6.133  -9.004  -9.004
  643   2HG   GLN  82          3HG       GLN  82  -6.067  -8.622  -8.622
  644   1HE2  GLN  82          2HE2      GLN  82  -6.607  -5.245  -5.245
  645   2HE2  GLN  82          1HE2      GLN  82  -5.989  -6.577  -6.577
  646    H    GLU  83           HN       GLU  83  -9.028 -11.269 -11.269
  647    HA   GLU  83           HA       GLU  83  -6.493 -11.331 -11.331
  648   1HB   GLU  83          2HB       GLU  83  -8.866 -13.229 -13.229
  649   2HB   GLU  83          3HB       GLU  83  -7.491 -13.537 -13.537
  650   1HG   GLU  83          2HG       GLU  83  -6.844 -12.842 -12.842
  651   2HG   GLU  83          3HG       GLU  83  -7.639 -14.384 -14.384
  652    H    LEU  84           HN       LEU  84  -9.757 -10.287 -10.287
  653    HA   LEU  84           HA       LEU  84  -9.441 -10.525 -10.525
  654   1HB   LEU  84          2HB       LEU  84 -11.602 -10.916 -10.916
  655   2HB   LEU  84          3HB       LEU  84 -11.590  -9.362  -9.362
  656    HG   LEU  84           HG       LEU  84 -11.407  -9.462  -9.462
  657   1HD1  LEU  84          2HD1      LEU  84 -13.553 -10.616 -10.616
  658   2HD1  LEU  84          3HD1      LEU  84 -14.133  -9.101  -9.101
  659   3HD1  LEU  84          1HD1      LEU  84 -13.410 -10.365 -10.365
  660   1HD2  LEU  84          2HD2      LEU  84 -11.289  -7.392  -7.392
  661   2HD2  LEU  84          3HD2      LEU  84 -11.918  -7.266  -7.266
  662   3HD2  LEU  84          1HD2      LEU  84 -13.043  -7.452  -7.452
  663    H    VAL  85           HN       VAL  85  -8.983  -8.131  -8.131
  664    HA   VAL  85           HA       VAL  85  -8.792  -5.932  -5.932
  665    HB   VAL  85           HB       VAL  85  -8.233  -6.343  -6.343
  666   1HG1  VAL  85          2HG1      VAL  85  -7.495  -4.050  -4.050
  667   2HG1  VAL  85          3HG1      VAL  85  -8.165  -3.678  -3.678
  668   3HG1  VAL  85          1HG1      VAL  85  -6.697  -4.675  -4.675
  669   1HG2  VAL  85          3HG2      VAL  85 -10.608  -6.216  -6.216
  670   2HG2  VAL  85          1HG2      VAL  85 -10.203  -5.094  -5.094
  671   3HG2  VAL  85          2HG2      VAL  85 -10.255  -4.509  -4.509
  672    H    ASP  86           HN       ASP  86  -6.663  -8.414  -8.414
  673    HA   ASP  86           HA       ASP  86  -4.285  -6.999  -6.999
  674   1HB   ASP  86          2HB       ASP  86  -4.889  -9.973  -9.973
  675   2HB   ASP  86          3HB       ASP  86  -3.259  -9.343  -9.343
  676    H    HIS  87           HN       HIS  87  -5.934  -9.824  -9.824
  677    HA   HIS  87           HA       HIS  87  -4.216 -10.012 -10.012
  678   1HB   HIS  87          2HB       HIS  87  -6.174 -11.529 -11.529
  679   2HB   HIS  87          3HB       HIS  87  -7.151 -10.606 -10.606
  680    HD1  HIS  87           HD1      HIS  87  -7.192 -11.443 -11.443
  681    HD2  HIS  87           HD2      HIS  87  -3.833 -12.806 -12.806
  682    HE1  HIS  87           HE1      HIS  87  -5.982 -13.066 -13.066
  683    H    TYR  88           HN       TYR  88  -6.892  -7.771  -7.771
  684    HA   TYR  88           HA       TYR  88  -7.115  -6.848  -6.848
  685   1HB   TYR  88          2HB       TYR  88  -8.004  -6.140  -6.140
  686   2HB   TYR  88          3HB       TYR  88  -8.152  -4.880  -4.880
  687    HD1  TYR  88           HD1      TYR  88  -8.697  -8.562  -8.562
  688    HD2  TYR  88           HD2      TYR  88 -10.464  -4.666  -4.666
  689    HE1  TYR  88           HE1      TYR  88 -10.914  -9.547  -9.547
  690    HE2  TYR  88           HE2      TYR  88 -12.674  -5.664  -5.664
  691    HH   TYR  88           HH       TYR  88 -13.230  -9.033  -9.033
  692    H    LYS  89           HN       LYS  89  -5.010  -6.154  -6.154
  693    HA   LYS  89           HA       LYS  89  -4.245  -3.572  -3.572
  694   1HB   LYS  89          2HB       LYS  89  -3.587  -5.306  -5.306
  695   2HB   LYS  89          3HB       LYS  89  -2.364  -4.154  -4.154
  696   1HG   LYS  89          2HG       LYS  89  -3.706  -2.296  -2.296
  697   2HG   LYS  89          3HG       LYS  89  -5.202  -3.161  -3.161
  698   1HD   LYS  89          2HD       LYS  89  -5.356  -3.879  -3.879
  699   2HD   LYS  89          3HD       LYS  89  -3.654  -4.285  -4.285
  700   1HE   LYS  89          2HE       LYS  89  -3.550  -1.514  -1.514
  701   2HE   LYS  89          3HE       LYS  89  -5.039  -1.768  -1.768
  702   1HZ   LYS  89          2HZ       LYS  89  -2.854  -3.423  -3.423
  703   2HZ   LYS  89          3HZ       LYS  89  -2.630  -1.826  -1.826
  704   3HZ   LYS  89          1HZ       LYS  89  -3.928  -2.583  -2.583
  705    H    LYS  90           HN       LYS  90  -3.220  -6.952  -6.952
  706    HA   LYS  90           HA       LYS  90  -0.666  -6.295  -6.295
  707   1HB   LYS  90          2HB       LYS  90  -2.303  -8.785  -8.785
  708   2HB   LYS  90          3HB       LYS  90  -0.945  -8.810  -8.810
  709   1HG   LYS  90          2HG       LYS  90   0.587  -8.767  -8.767
  710   2HG   LYS  90          3HG       LYS  90  -0.259  -7.492  -7.492
  711   1HD   LYS  90          2HD       LYS  90  -1.715  -9.031  -9.031
  712   2HD   LYS  90          3HD       LYS  90  -1.360 -10.324 -10.324
  713   1HE   LYS  90          2HE       LYS  90   1.064 -10.263 -10.263
  714   2HE   LYS  90          3HE       LYS  90   0.521  -9.165  -9.165
  715   1HZ   LYS  90          1HZ       LYS  90  -1.034 -11.565 -11.565
  716   2HZ   LYS  90          2HZ       LYS  90   0.485 -11.781 -11.781
  717   3HZ   LYS  90          3HZ       LYS  90  -0.550 -10.804 -10.804
  718    H    GLY  91           HN       GLY  91  -3.972  -6.602  -6.602
  719   1HA   GLY  91          1HA       GLY  91  -3.388  -5.311  -5.311
  720   2HA   GLY  91          2HA       GLY  91  -3.398  -7.037  -7.037
  721    H    ASN  92           HN       ASN  92  -5.310  -5.330  -5.330
  722    HA   ASN  92           HA       ASN  92  -7.643  -5.168  -5.168
  723   1HB   ASN  92          2HB       ASN  92  -8.714  -4.921  -4.921
  724   2HB   ASN  92          3HB       ASN  92  -7.518  -3.726  -3.726
  725   1HD2  ASN  92          2HD2      ASN  92  -7.053  -5.645  -5.645
  726   2HD2  ASN  92          1HD2      ASN  92  -8.514  -5.309  -5.309
  727    H    ASP  93           HN       ASP  93  -6.397  -7.457  -7.457
  728    HA   ASP  93           HA       ASP  93  -7.158  -9.368  -9.368
  729   1HB   ASP  93          2HB       ASP  93  -6.089  -9.975  -9.975
  730   2HB   ASP  93          3HB       ASP  93  -7.649  -9.839  -9.839
  731    H    GLY  94           HN       GLY  94  -9.190  -7.641  -7.641
  732   1HA   GLY  94          1HA       GLY  94 -11.438  -8.714  -8.714
  733   2HA   GLY  94          2HA       GLY  94 -11.633  -8.782  -8.782
  734    H    LEU  95           HN       LEU  95 -10.592  -6.388  -6.388
  735    HA   LEU  95           HA       LEU  95 -12.664  -4.601  -4.601
  736   1HB   LEU  95          2HB       LEU  95 -10.063  -4.144  -4.144
  737   2HB   LEU  95          3HB       LEU  95 -11.433  -3.051  -3.051
  738    HG   LEU  95           HG       LEU  95 -11.680  -5.892  -5.892
  739   1HD1  LEU  95          3HD1      LEU  95 -10.349  -3.599  -3.599
  740   2HD1  LEU  95          1HD1      LEU  95 -11.572  -4.421  -4.421
  741   3HD1  LEU  95          2HD1      LEU  95 -10.211  -5.345  -5.345
  742   1HD2  LEU  95          3HD2      LEU  95 -13.541  -3.834  -3.834
  743   2HD2  LEU  95          1HD2      LEU  95 -13.803  -5.379  -5.379
  744   3HD2  LEU  95          2HD2      LEU  95 -13.336  -3.928  -3.928
  745    H    CYS  96           HN       CYS  96 -11.989  -2.154  -2.154
  746    HA   CYS  96           HA       CYS  96 -10.837  -2.338  -2.338
  747   1HB   CYS  96          2HB       CYS  96 -11.681  -0.124  -0.124
  748   2HB   CYS  96          3HB       CYS  96 -12.931  -1.047  -1.047
  749    HG   CYS  96           HG       CYS  96 -13.236   0.960   0.960
  750    H    GLN  97           HN       GLN  97 -10.077  -1.191  -1.191
  751    HA   GLN  97           HA       GLN  97  -7.384  -0.690  -0.690
  752   1HB   GLN  97          2HB       GLN  97  -9.191   1.368   1.368
  753   2HB   GLN  97          3HB       GLN  97  -7.470   1.422   1.422
  754   1HG   GLN  97          2HG       GLN  97  -7.110   2.421   2.421
  755   2HG   GLN  97          3HG       GLN  97  -7.771   1.026   1.026
  756   1HE2  GLN  97          2HE2      GLN  97 -10.253   4.211   4.211
  757   2HE2  GLN  97          1HE2      GLN  97  -8.894   3.780   3.780
  758    H    LYS  98           HN       LYS  98  -5.933  -1.628  -1.628
  759    HA   LYS  98           HA       LYS  98  -6.790  -3.150  -3.150
  760   1HB   LYS  98          2HB       LYS  98  -4.445  -3.474  -3.474
  761   2HB   LYS  98          3HB       LYS  98  -4.697  -3.498  -3.498
  762   1HG   LYS  98          2HG       LYS  98  -4.205  -0.831  -0.831
  763   2HG   LYS  98          3HG       LYS  98  -3.281  -1.465  -1.465
  764   1HD   LYS  98          2HD       LYS  98  -1.668  -2.317  -2.317
  765   2HD   LYS  98          3HD       LYS  98  -2.846  -3.057  -3.057
  766   1HE   LYS  98          2HE       LYS  98  -1.974  -1.480  -1.480
  767   2HE   LYS  98          3HE       LYS  98  -3.261  -0.518  -0.518
  768   1HZ   LYS  98          3HZ       LYS  98  -1.610   0.267   0.267
  769   2HZ   LYS  98          1HZ       LYS  98  -0.437  -0.508  -0.508
  770   3HZ   LYS  98          2HZ       LYS  98  -1.268   0.710   0.710
  771    H    LEU  99           HN       LEU  99  -5.992  -2.876  -2.876
  772    HA   LEU  99           HA       LEU  99  -6.909  -0.269  -0.269
  773   1HB   LEU  99          2HB       LEU  99  -6.352  -2.875  -2.875
  774   2HB   LEU  99          3HB       LEU  99  -6.707  -1.397  -1.397
  775    HG   LEU  99           HG       LEU  99  -8.503  -3.031  -3.031
  776   1HD1  LEU  99          3HD1      LEU  99  -8.177  -2.750  -2.750
  777   2HD1  LEU  99          1HD1      LEU  99  -9.678  -1.878  -1.878
  778   3HD1  LEU  99          2HD1      LEU  99  -9.492  -3.585  -3.585
  779   1HD2  LEU  99          3HD2      LEU  99  -8.652  -0.077  -0.077
  780   2HD2  LEU  99          1HD2      LEU  99  -9.027  -1.023  -1.023
  781   3HD2  LEU  99          2HD2      LEU  99 -10.154  -1.029  -1.029
  782    H    SER 100           HN       SER 100  -5.625   1.359   1.359
  783    HA   SER 100           HA       SER 100  -2.793   0.803   0.803
  784   1HB   SER 100          2HB       SER 100  -2.560   3.289   3.289
  785   2HB   SER 100          3HB       SER 100  -3.543   2.731   2.731
  786    HG   SER 100           HG       SER 100  -4.227   4.554   4.554
  787    H    VAL 101           HN       VAL 101  -4.810   3.061   3.061
  788    HA   VAL 101           HA       VAL 101  -3.638   1.812   1.812
  789    HB   VAL 101           HB       VAL 101  -3.336   4.033   4.033
  790   1HG1  VAL 101          1HG1      VAL 101  -1.781   2.852   2.852
  791   2HG1  VAL 101          2HG1      VAL 101  -1.710   4.619   4.619
  792   3HG1  VAL 101          3HG1      VAL 101  -1.237   3.882   3.882
  793   1HG2  VAL 101          3HG2      VAL 101  -4.694   4.877   4.877
  794   2HG2  VAL 101          1HG2      VAL 101  -4.633   5.654   5.654
  795   3HG2  VAL 101          2HG2      VAL 101  -3.284   5.862   5.862
  796    HA   PRO 102           HA       PRO 102  -7.722   1.925   1.925
  797   1HB   PRO 102          2HB       PRO 102  -7.379   1.818   1.818
  798   2HB   PRO 102          3HB       PRO 102  -7.269   0.409   0.409
  799   1HG   PRO 102          2HG       PRO 102  -5.092   1.926   1.926
  800   2HG   PRO 102          3HG       PRO 102  -5.054   0.307   0.307
  801   1HD   PRO 102          2HD       PRO 102  -3.980   2.684   2.684
  802   2HD   PRO 102          3HD       PRO 102  -4.046   1.088   1.088
  803    H    CYS 103           HN       CYS 103  -9.459   3.117   3.117
  804    HA   CYS 103           HA       CYS 103  -9.355   5.742   5.742
  805   1HB   CYS 103          2HB       CYS 103 -11.292   4.159   4.159
  806   2HB   CYS 103          3HB       CYS 103 -10.888   4.857   4.857
  807    HG   CYS 103           HG       CYS 103 -11.812   7.035   7.035
  808    H    MET 104           HN       MET 104  -9.183   7.672   7.672
  809    HA   MET 104           HA       MET 104  -7.063   7.183   7.183
  810   1HB   MET 104          2HB       MET 104  -6.576   9.617   9.617
  811   2HB   MET 104          3HB       MET 104  -6.603   8.800   8.800
  812   1HG   MET 104          2HG       MET 104  -8.282  10.143  10.143
  813   2HG   MET 104          3HG       MET 104  -9.299   9.665   9.665
  814   1HE   MET 104          2HE       MET 104  -6.784  12.104  12.104
  815   2HE   MET 104          3HE       MET 104  -6.429  13.252  13.252
  816   3HE   MET 104          1HE       MET 104  -5.779  11.597  11.597
  817    H    SER 105           HN       SER 105  -7.073   8.593   8.593
  818    HA   SER 105           HA       SER 105  -9.837   9.020   9.020
  819   1HB   SER 105          2HB       SER 105  -8.957   8.513   8.513
  820   2HB   SER 105          3HB       SER 105  -9.032   7.149   7.149
  821    HG   SER 105           HG       SER 105  -6.613   8.686   8.686
  822    H    SER 106           HN       SER 106  -9.917  11.266  11.266
  823    HA   SER 106           HA       SER 106  -8.160  12.829  12.829
  824   1HB   SER 106          2HB       SER 106  -7.738  14.454  14.454
  825   2HB   SER 106          3HB       SER 106  -7.349  12.879  12.879
  826    HG   SER 106           HG       SER 106  -9.709  14.474  14.474
  827    H    LYS 107           HN       LYS 107  -9.090  15.241  15.241
  828    HA   LYS 107           HA       LYS 107 -11.879  15.493  15.493
  829   1HB   LYS 107          2HB       LYS 107 -12.676  15.610  15.610
  830   2HB   LYS 107          3HB       LYS 107 -11.956  14.038  14.038
  831   1HG   LYS 107          2HG       LYS 107  -9.987  14.580  14.580
  832   2HG   LYS 107          3HG       LYS 107 -10.300  16.303  16.303
  833   1HD   LYS 107          2HD       LYS 107 -11.008  15.862  15.862
  834   2HD   LYS 107          3HD       LYS 107 -12.525  15.677  15.677
  835   1HE   LYS 107          2HE       LYS 107 -12.000  13.173  13.173
  836   2HE   LYS 107          3HE       LYS 107 -10.639  13.441  13.441
  837   1HZ   LYS 107          1HZ       LYS 107 -12.944  14.620  14.620
  838   2HZ   LYS 107          2HZ       LYS 107 -13.252  13.056  13.056
  839   3HZ   LYS 107          3HZ       LYS 107 -12.010  13.440  13.440

  Start of MODEL   13
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.412  -0.452  -0.452
    3   1HB   MET   1          2HB       MET   1   2.582   2.030   2.030
    4   2HB   MET   1          3HB       MET   1   3.377   1.448   1.448
    5   1HG   MET   1          2HG       MET   1   1.204   1.499   1.499
    6   2HG   MET   1          3HG       MET   1   0.384   2.040   2.040
    7   1HE   MET   1          1HE       MET   1  -0.463   3.960   3.960
    8   2HE   MET   1          2HE       MET   1   0.634   5.143   5.143
    9   3HE   MET   1          3HE       MET   1   0.673   3.440   3.440
   10    H    GLU   2           HN       GLU   2   3.934   0.241   0.241
   11    HA   GLU   2           HA       GLU   2   5.198  -2.231  -2.231
   12   1HB   GLU   2          2HB       GLU   2   6.170   0.275   0.275
   13   2HB   GLU   2          3HB       GLU   2   7.353  -0.343  -0.343
   14   1HG   GLU   2          2HG       GLU   2   8.065  -1.692  -1.692
   15   2HG   GLU   2          3HG       GLU   2   6.625  -2.645  -2.645
   16    H    THR   3           HN       THR   3   6.588  -3.013  -3.013
   17    HA   THR   3           HA       THR   3   6.710  -1.289  -1.289
   18    HB   THR   3           HB       THR   3   6.118  -3.405  -3.405
   19    HG1  THR   3           HG1      THR   3   6.671  -4.756  -4.756
   20   1HG2  THR   3          3HG2      THR   3   4.367  -1.608  -1.608
   21   2HG2  THR   3          1HG2      THR   3   3.817  -3.146  -3.146
   22   3HG2  THR   3          2HG2      THR   3   3.858  -2.944  -2.944
   23    H    GLU   4           HN       GLU   4   8.253  -2.326  -2.326
   24    HA   GLU   4           HA       GLU   4  10.592  -3.119  -3.119
   25   1HB   GLU   4          2HB       GLU   4  10.153  -1.484  -1.484
   26   2HB   GLU   4          3HB       GLU   4  11.603  -2.467  -2.467
   27   1HG   GLU   4          2HG       GLU   4  12.508  -0.685  -0.685
   28   2HG   GLU   4          3HG       GLU   4  11.734  -1.406  -1.406
   29    H    GLU   5           HN       GLU   5  10.790  -5.326  -5.326
   30    HA   GLU   5           HA       GLU   5  10.366  -6.691  -6.691
   31   1HB   GLU   5          2HB       GLU   5   9.717  -7.568  -7.568
   32   2HB   GLU   5          3HB       GLU   5   9.895  -8.738  -8.738
   33   1HG   GLU   5          2HG       GLU   5   8.106  -7.652  -7.652
   34   2HG   GLU   5          3HG       GLU   5   7.994  -6.351  -6.351
   35    H    TRP   6           HN       TRP   6  12.823  -5.597  -5.597
   36    HA   TRP   6           HA       TRP   6  14.566  -7.430  -7.430
   37   1HB   TRP   6          2HB       TRP   6  16.322  -5.905  -5.905
   38   2HB   TRP   6          3HB       TRP   6  15.329  -5.276  -5.276
   39    HD1  TRP   6           HD1      TRP   6  13.882  -3.127  -3.127
   40    HE1  TRP   6           HE1      TRP   6  13.446  -1.585  -1.585
   41    HE3  TRP   6           HE3      TRP   6  16.141  -6.185  -6.185
   42    HZ2  TRP   6           HZ2      TRP   6  14.081  -1.812  -1.812
   43    HZ3  TRP   6           HZ3      TRP   6  16.189  -5.451  -5.451
   44    HH2  TRP   6           HH2      TRP   6  15.207  -3.347  -3.347
   45    H    PHE   7           HN       PHE   7  13.111  -6.962  -6.962
   46    HA   PHE   7           HA       PHE   7  15.109  -8.644  -8.644
   47   1HB   PHE   7          2HB       PHE   7  14.415  -6.792  -6.792
   48   2HB   PHE   7          3HB       PHE   7  12.768  -6.858  -6.858
   49    HD1  PHE   7           HD2      PHE   7  15.184  -8.695  -8.695
   50    HD2  PHE   7           HD1      PHE   7  11.108  -7.930  -7.930
   51    HE1  PHE   7           HE2      PHE   7  14.493  -9.963  -9.963
   52    HE2  PHE   7           HE1      PHE   7  10.417  -9.198  -9.198
   53   1HZ   PHE   7           HZ       PHE   7  12.118 -10.199 -10.199
   54    H    PHE   8           HN       PHE   8  14.839 -10.810 -10.810
   55    HA   PHE   8           HA       PHE   8  12.160 -11.863 -11.863
   56   1HB   PHE   8          2HB       PHE   8  15.034 -12.926 -12.926
   57   2HB   PHE   8          3HB       PHE   8  13.666 -14.016 -14.016
   58    HD1  PHE   8           HD2      PHE   8  11.837 -13.296 -13.296
   59    HD2  PHE   8           HD1      PHE   8  15.912 -12.114 -12.114
   60    HE1  PHE   8           HE2      PHE   8  11.666 -12.860 -12.860
   61    HE2  PHE   8           HE1      PHE   8  15.741 -11.678 -11.678
   62   1HZ   PHE   8           HZ       PHE   8  13.620 -12.056 -12.056
   63    H    LYS   9           HN       LYS   9  11.556 -13.882 -13.882
   64    HA   LYS   9           HA       LYS   9  12.652 -13.721 -13.721
   65   1HB   LYS   9          2HB       LYS   9  10.481 -14.117 -14.117
   66   2HB   LYS   9          3HB       LYS   9  10.337 -12.800 -12.800
   67   1HG   LYS   9          2HG       LYS   9   9.967 -15.413 -15.413
   68   2HG   LYS   9          3HG       LYS   9   8.833 -15.186 -15.186
   69   1HD   LYS   9          2HD       LYS   9   9.299 -13.077 -13.077
   70   2HD   LYS   9          3HD       LYS   9   8.074 -14.323 -14.323
   71   1HE   LYS   9          2HE       LYS   9   7.814 -13.129 -13.129
   72   2HE   LYS   9          3HE       LYS   9   7.924 -11.831 -11.831
   73   1HZ   LYS   9          3HZ       LYS   9   6.265 -13.523 -13.523
   74   2HZ   LYS   9          1HZ       LYS   9   5.859 -13.774 -13.774
   75   3HZ   LYS   9          2HZ       LYS   9   5.778 -12.271 -12.271
   76    H    GLY  10           HN       GLY  10  12.976 -15.700 -15.700
   77   1HA   GLY  10          1HA       GLY  10  13.817 -17.804 -17.804
   78   2HA   GLY  10          2HA       GLY  10  12.229 -18.208 -18.208
   79    H    ILE  11           HN       ILE  11  15.333 -16.773 -16.773
   80    HA   ILE  11           HA       ILE  11  14.986 -18.496 -18.496
   81    HB   ILE  11           HB       ILE  11  15.196 -15.744 -15.744
   82   1HG1  ILE  11          2HG1      ILE  11  15.549 -17.774 -17.774
   83   2HG1  ILE  11          3HG1      ILE  11  14.158 -16.771 -16.771
   84   1HG2  ILE  11          2HG2      ILE  11  17.594 -15.974 -15.974
   85   2HG2  ILE  11          3HG2      ILE  11  17.855 -16.837 -16.837
   86   3HG2  ILE  11          1HG2      ILE  11  17.322 -15.139 -15.139
   87   1HD1  ILE  11          3HD1      ILE  11  15.660 -14.735 -14.735
   88   2HD1  ILE  11          1HD1      ILE  11  16.818 -15.908 -15.908
   89   3HD1  ILE  11          2HD1      ILE  11  15.191 -15.758 -15.758
   90    H    SER  12           HN       SER  12  17.037 -19.326 -19.326
   91    HA   SER  12           HA       SER  12  18.973 -19.767 -19.767
   92   1HB   SER  12          2HB       SER  12  19.408 -21.972 -21.972
   93   2HB   SER  12          3HB       SER  12  17.688 -21.805 -21.805
   94    HG   SER  12           HG       SER  12  18.441 -22.704 -22.704
   95    H    ARG  13           HN       ARG  13  21.230 -20.491 -20.491
   96    HA   ARG  13           HA       ARG  13  21.994 -18.315 -18.315
   97   1HB   ARG  13          2HB       ARG  13  23.532 -19.206 -19.206
   98   2HB   ARG  13          3HB       ARG  13  23.487 -20.802 -20.802
   99   1HG   ARG  13          2HG       ARG  13  24.297 -18.634 -18.634
  100   2HG   ARG  13          3HG       ARG  13  25.403 -18.877 -18.877
  101   1HD   ARG  13          2HD       ARG  13  24.388 -21.193 -21.193
  102   2HD   ARG  13          3HD       ARG  13  25.830 -20.289 -20.289
  103    HE   ARG  13           HE       ARG  13  25.533 -22.188 -22.188
  104   1HH1  ARG  13          2HH2      ARG  13  27.419 -19.512 -19.512
  105   2HH1  ARG  13          1HH2      ARG  13  28.840 -19.908 -19.908
  106   1HH2  ARG  13          2HH1      ARG  13  27.407 -22.711 -22.711
  107   2HH2  ARG  13          1HH1      ARG  13  28.833 -21.740 -21.740
  108    H    LYS  14           HN       LYS  14  21.029 -21.667 -21.667
  109    HA   LYS  14           HA       LYS  14  22.238 -21.837 -21.837
  110   1HB   LYS  14          2HB       LYS  14  20.580 -23.605 -23.605
  111   2HB   LYS  14          3HB       LYS  14  20.584 -23.928 -23.928
  112   1HG   LYS  14          2HG       LYS  14  23.147 -23.864 -23.864
  113   2HG   LYS  14          3HG       LYS  14  23.017 -23.787 -23.787
  114   1HD   LYS  14          2HD       LYS  14  21.509 -25.970 -25.970
  115   2HD   LYS  14          3HD       LYS  14  23.247 -26.133 -26.133
  116   1HE   LYS  14          2HE       LYS  14  23.116 -25.985 -25.985
  117   2HE   LYS  14          3HE       LYS  14  21.418 -25.556 -25.556
  118   1HZ   LYS  14          1HZ       LYS  14  22.176 -28.025 -28.025
  119   2HZ   LYS  14          2HZ       LYS  14  22.229 -28.008 -28.008
  120   3HZ   LYS  14          3HZ       LYS  14  20.833 -27.668 -27.668
  121    H    ASP  15           HN       ASP  15  18.797 -21.862 -21.862
  122    HA   ASP  15           HA       ASP  15  17.625 -21.590 -21.590
  123   1HB   ASP  15          2HB       ASP  15  16.914 -20.682 -20.682
  124   2HB   ASP  15          3HB       ASP  15  15.896 -20.139 -20.139
  125    H    ALA  16           HN       ALA  16  19.136 -19.122 -19.122
  126    HA   ALA  16           HA       ALA  16  18.175 -16.861 -16.861
  127   1HB   ALA  16          3HB       ALA  16  20.511 -17.388 -17.388
  128   2HB   ALA  16          1HB       ALA  16  20.144 -15.771 -15.771
  129   3HB   ALA  16          2HB       ALA  16  18.954 -16.612 -16.612
  130    H    GLU  17           HN       GLU  17  20.968 -19.059 -19.059
  131    HA   GLU  17           HA       GLU  17  22.207 -17.354 -17.354
  132   1HB   GLU  17          2HB       GLU  17  22.695 -20.103 -20.103
  133   2HB   GLU  17          3HB       GLU  17  23.440 -19.718 -19.718
  134   1HG   GLU  17          2HG       GLU  17  24.209 -17.495 -17.495
  135   2HG   GLU  17          3HG       GLU  17  23.857 -18.371 -18.371
  136    H    ARG  18           HN       ARG  18  19.544 -19.544 -19.544
  137    HA   ARG  18           HA       ARG  18  19.930 -20.235 -20.235
  138   1HB   ARG  18          2HB       ARG  18  17.982 -20.978 -20.978
  139   2HB   ARG  18          3HB       ARG  18  17.440 -21.169 -21.169
  140   1HG   ARG  18          2HG       ARG  18  19.653 -22.455 -22.455
  141   2HG   ARG  18          3HG       ARG  18  19.858 -22.473 -22.473
  142   1HD   ARG  18          2HD       ARG  18  18.737 -24.510 -24.510
  143   2HD   ARG  18          3HD       ARG  18  17.406 -23.449 -23.449
  144    HE   ARG  18           HE       ARG  18  16.608 -23.617 -23.617
  145   1HH1  ARG  18          2HH2      ARG  18  19.939 -24.745 -24.745
  146   2HH1  ARG  18          1HH2      ARG  18  19.929 -25.340 -25.340
  147   1HH2  ARG  18          2HH1      ARG  18  16.593 -24.402 -24.402
  148   2HH2  ARG  18          1HH1      ARG  18  18.013 -25.144 -25.144
  149    H    GLN  19           HN       GLN  19  18.321 -17.825 -17.825
  150    HA   GLN  19           HA       GLN  19  16.441 -17.154 -17.154
  151   1HB   GLN  19          2HB       GLN  19  17.060 -15.948 -15.948
  152   2HB   GLN  19          3HB       GLN  19  15.859 -15.274 -15.274
  153   1HG   GLN  19          2HG       GLN  19  14.829 -17.668 -17.668
  154   2HG   GLN  19          3HG       GLN  19  15.855 -18.023 -18.023
  155   1HE2  GLN  19          2HE2      GLN  19  13.908 -16.428 -16.428
  156   2HE2  GLN  19          1HE2      GLN  19  15.289 -17.391 -17.391
  157    H    LEU  20           HN       LEU  20  19.671 -16.273 -16.273
  158    HA   LEU  20           HA       LEU  20  19.587 -13.748 -13.748
  159   1HB   LEU  20          2HB       LEU  20  21.420 -15.096 -15.096
  160   2HB   LEU  20          3HB       LEU  20  22.138 -13.980 -13.980
  161    HG   LEU  20           HG       LEU  20  19.879 -13.293 -13.293
  162   1HD1  LEU  20          2HD1      LEU  20  22.832 -13.225 -13.225
  163   2HD1  LEU  20          3HD1      LEU  20  21.937 -11.801 -11.801
  164   3HD1  LEU  20          1HD1      LEU  20  21.554 -13.415 -13.415
  165   1HD2  LEU  20          2HD2      LEU  20  21.184 -11.846 -11.846
  166   2HD2  LEU  20          3HD2      LEU  20  19.555 -11.672 -11.672
  167   3HD2  LEU  20          1HD2      LEU  20  20.952 -10.921 -10.921
  168    H    LEU  21           HN       LEU  21  20.708 -17.104 -17.104
  169    HA   LEU  21           HA       LEU  21  22.225 -16.435 -16.435
  170   1HB   LEU  21          2HB       LEU  21  21.699 -18.981 -18.981
  171   2HB   LEU  21          3HB       LEU  21  22.514 -18.970 -18.970
  172    HG   LEU  21           HG       LEU  21  23.460 -17.505 -17.505
  173   1HD1  LEU  21          3HD1      LEU  21  23.601 -19.932 -19.932
  174   2HD1  LEU  21          1HD1      LEU  21  24.500 -20.056 -20.056
  175   3HD1  LEU  21          2HD1      LEU  21  25.217 -19.200 -19.200
  176   1HD2  LEU  21          2HD2      LEU  21  24.616 -17.755 -17.755
  177   2HD2  LEU  21          3HD2      LEU  21  24.249 -16.281 -16.281
  178   3HD2  LEU  21          1HD2      LEU  21  25.603 -17.328 -17.328
  179    H    ALA  22           HN       ALA  22  18.964 -17.012 -17.012
  180    HA   ALA  22           HA       ALA  22  18.175 -18.487 -18.487
  181   1HB   ALA  22          3HB       ALA  22  16.996 -17.287 -17.287
  182   2HB   ALA  22          1HB       ALA  22  15.990 -16.978 -16.978
  183   3HB   ALA  22          2HB       ALA  22  16.412 -18.648 -18.648
  184    HA   PRO  23           HA       PRO  23  17.673 -15.335 -15.335
  185   1HB   PRO  23          2HB       PRO  23  15.247 -15.790 -15.790
  186   2HB   PRO  23          3HB       PRO  23  16.682 -16.723 -16.723
  187   1HG   PRO  23          2HG       PRO  23  14.342 -17.496 -17.496
  188   2HG   PRO  23          3HG       PRO  23  15.559 -18.524 -18.524
  189   1HD   PRO  23          2HD       PRO  23  15.371 -17.787 -17.787
  190   2HD   PRO  23          3HD       PRO  23  16.651 -18.718 -18.718
  191    H    GLY  24           HN       GLY  24  16.105 -13.568 -13.568
  192   1HA   GLY  24          1HA       GLY  24  14.665 -11.845 -11.845
  193   2HA   GLY  24          2HA       GLY  24  14.327 -12.482 -12.482
  194    H    ASN  25           HN       ASN  25  16.819 -12.650 -12.650
  195    HA   ASN  25           HA       ASN  25  17.309  -9.889  -9.889
  196   1HB   ASN  25          2HB       ASN  25  18.647 -12.404 -12.404
  197   2HB   ASN  25          3HB       ASN  25  18.950 -10.782 -10.782
  198   1HD2  ASN  25          2HD2      ASN  25  15.836 -12.944 -12.944
  199   2HD2  ASN  25          1HD2      ASN  25  17.146 -13.539 -13.539
  200    H    MET  26           HN       MET  26  19.789  -9.203  -9.203
  201    HA   MET  26           HA       MET  26  21.477 -10.590 -10.590
  202   1HB   MET  26          2HB       MET  26  21.854  -8.578  -8.578
  203   2HB   MET  26          3HB       MET  26  20.145  -8.964  -8.964
  204   1HG   MET  26          2HG       MET  26  20.362  -7.281  -7.281
  205   2HG   MET  26          3HG       MET  26  21.540  -6.593  -6.593
  206   1HE   MET  26          3HE       MET  26  21.042  -6.973  -6.973
  207   2HE   MET  26          1HE       MET  26  19.443  -6.844  -6.844
  208   3HE   MET  26          2HE       MET  26  20.315  -5.372  -5.372
  209    H    LEU  27           HN       LEU  27  23.753  -9.658  -9.658
  210    HA   LEU  27           HA       LEU  27  24.802  -9.482  -9.482
  211   1HB   LEU  27          2HB       LEU  27  25.738  -9.331  -9.331
  212   2HB   LEU  27          3HB       LEU  27  26.097  -7.715  -7.715
  213    HG   LEU  27           HG       LEU  27  27.922  -9.475  -9.475
  214   1HD1  LEU  27          3HD1      LEU  27  27.026  -7.860  -7.860
  215   2HD1  LEU  27          1HD1      LEU  27  28.619  -8.641  -8.641
  216   3HD1  LEU  27          2HD1      LEU  27  28.144  -7.366  -7.366
  217   1HD2  LEU  27          3HD2      LEU  27  26.227 -11.190 -11.190
  218   2HD2  LEU  27          1HD2      LEU  27  27.846 -11.117 -11.117
  219   3HD2  LEU  27          2HD2      LEU  27  26.459 -10.367 -10.367
  220    H    GLY  28           HN       GLY  28  24.496  -8.185  -8.185
  221   1HA   GLY  28          1HA       GLY  28  24.857  -5.860  -5.860
  222   2HA   GLY  28          2HA       GLY  28  23.767  -5.367  -5.367
  223    H    SER  29           HN       SER  29  22.231  -8.075  -8.075
  224    HA   SER  29           HA       SER  29  20.276  -6.858  -6.858
  225   1HB   SER  29          2HB       SER  29  20.695  -9.815  -9.815
  226   2HB   SER  29          3HB       SER  29  19.212  -9.120  -9.120
  227    HG   SER  29           HG       SER  29  20.340  -8.023  -8.023
  228    H    PHE  30           HN       PHE  30  19.935  -6.821  -6.821
  229    HA   PHE  30           HA       PHE  30  21.733  -8.506  -8.506
  230   1HB   PHE  30          2HB       PHE  30  21.929  -6.594  -6.594
  231   2HB   PHE  30          3HB       PHE  30  22.152  -5.947  -5.947
  232    HD1  PHE  30           HD2      PHE  30  19.914  -6.102  -6.102
  233    HD2  PHE  30           HD1      PHE  30  20.454  -4.535  -4.535
  234    HE1  PHE  30           HE2      PHE  30  18.049  -4.469  -4.469
  235    HE2  PHE  30           HE1      PHE  30  18.589  -2.902  -2.902
  236   1HZ   PHE  30           HZ       PHE  30  17.409  -2.889  -2.889
  237    H    MET  31           HN       MET  31  20.894  -9.190  -9.190
  238    HA   MET  31           HA       MET  31  18.070  -8.777  -8.777
  239   1HB   MET  31          2HB       MET  31  17.845 -11.358 -11.358
  240   2HB   MET  31          3HB       MET  31  17.945 -10.781 -10.781
  241   1HG   MET  31          2HG       MET  31  20.037 -11.703 -11.703
  242   2HG   MET  31          3HG       MET  31  20.582 -11.351 -11.351
  243   1HE   MET  31          2HE       MET  31  17.634 -12.827 -12.827
  244   2HE   MET  31          3HE       MET  31  17.872 -14.590 -14.590
  245   3HE   MET  31          1HE       MET  31  17.048 -13.748 -13.748
  246    H    ILE  32           HN       ILE  32  17.449  -8.928  -8.928
  247    HA   ILE  32           HA       ILE  32  19.675  -9.497  -9.497
  248    HB   ILE  32           HB       ILE  32  17.414  -7.518  -7.518
  249   1HG1  ILE  32          2HG1      ILE  32  20.382  -7.126  -7.126
  250   2HG1  ILE  32          3HG1      ILE  32  19.626  -6.983  -6.983
  251   1HG2  ILE  32          2HG2      ILE  32  19.085  -8.579  -8.579
  252   2HG2  ILE  32          3HG2      ILE  32  18.269  -6.998  -6.998
  253   3HG2  ILE  32          1HG2      ILE  32  17.313  -8.488  -8.488
  254   1HD1  ILE  32          2HD1      ILE  32  18.003  -5.292  -5.292
  255   2HD1  ILE  32          3HD1      ILE  32  19.070  -5.309  -5.309
  256   3HD1  ILE  32          1HD1      ILE  32  19.695  -4.760  -4.760
  257    H    ARG  33           HN       ARG  33  19.205 -10.670 -10.670
  258    HA   ARG  33           HA       ARG  33  16.590 -11.808 -11.808
  259   1HB   ARG  33          2HB       ARG  33  17.383 -14.158 -14.158
  260   2HB   ARG  33          3HB       ARG  33  17.737 -13.372 -13.372
  261   1HG   ARG  33          2HG       ARG  33  20.014 -12.816 -12.816
  262   2HG   ARG  33          3HG       ARG  33  19.594 -14.446 -14.446
  263   1HD   ARG  33          2HD       ARG  33  19.274 -14.574 -14.574
  264   2HD   ARG  33          3HD       ARG  33  20.621 -13.464 -13.464
  265    HE   ARG  33           HE       ARG  33  20.601 -16.314 -16.314
  266   1HH1  ARG  33          2HH2      ARG  33  22.243 -13.223 -13.223
  267   2HH1  ARG  33          1HH2      ARG  33  23.756 -13.935 -13.935
  268   1HH2  ARG  33          2HH1      ARG  33  22.596 -17.254 -17.254
  269   2HH2  ARG  33          1HH1      ARG  33  23.958 -16.243 -16.243
  270    H    ASP  34           HN       ASP  34  16.143 -12.536 -12.536
  271    HA   ASP  34           HA       ASP  34  17.925 -11.493 -11.493
  272   1HB   ASP  34          2HB       ASP  34  16.226 -12.128 -12.128
  273   2HB   ASP  34          3HB       ASP  34  15.408 -11.497 -11.497
  274    H    SER  35           HN       SER  35  18.752 -12.864 -12.864
  275    HA   SER  35           HA       SER  35  20.136 -15.063 -15.063
  276   1HB   SER  35          2HB       SER  35  20.504 -13.474 -13.474
  277   2HB   SER  35          3HB       SER  35  19.554 -14.673 -14.673
  278    HG   SER  35           HG       SER  35  21.371 -15.780 -15.780
  279    H    GLU  36           HN       GLU  36  20.032 -17.286 -17.286
  280    HA   GLU  36           HA       GLU  36  17.209 -18.025 -18.025
  281   1HB   GLU  36          2HB       GLU  36  19.442 -19.155 -19.155
  282   2HB   GLU  36          3HB       GLU  36  18.731 -20.372 -20.372
  283   1HG   GLU  36          2HG       GLU  36  16.770 -18.653 -18.653
  284   2HG   GLU  36          3HG       GLU  36  17.746 -19.694 -19.694
  285    H    THR  37           HN       THR  37  20.435 -19.381 -19.381
  286    HA   THR  37           HA       THR  37  19.230 -20.402 -20.402
  287    HB   THR  37           HB       THR  37  21.642 -21.240 -21.240
  288    HG1  THR  37           HG1      THR  37  23.002 -20.740 -20.740
  289   1HG2  THR  37          2HG2      THR  37  19.678 -22.165 -22.165
  290   2HG2  THR  37          3HG2      THR  37  21.126 -21.997 -21.997
  291   3HG2  THR  37          1HG2      THR  37  21.175 -23.028 -23.028
  292    H    THR  38           HN       THR  38  21.220 -17.642 -17.642
  293    HA   THR  38           HA       THR  38  21.431 -16.846 -16.846
  294    HB   THR  38           HB       THR  38  23.036 -16.305 -16.305
  295    HG1  THR  38           HG1      THR  38  23.651 -18.038 -18.038
  296   1HG2  THR  38          2HG2      THR  38  22.659 -14.521 -14.521
  297   2HG2  THR  38          3HG2      THR  38  24.346 -14.882 -14.882
  298   3HG2  THR  38          1HG2      THR  38  23.262 -14.121 -14.121
  299    H    LYS  39           HN       LYS  39  18.992 -16.455 -16.455
  300    HA   LYS  39           HA       LYS  39  17.994 -14.488 -14.488
  301   1HB   LYS  39          2HB       LYS  39  17.216 -15.728 -15.728
  302   2HB   LYS  39          3HB       LYS  39  16.451 -14.200 -14.200
  303   1HG   LYS  39          2HG       LYS  39  16.556 -16.014 -16.014
  304   2HG   LYS  39          3HG       LYS  39  15.695 -16.723 -16.723
  305   1HD   LYS  39          2HD       LYS  39  14.612 -14.221 -14.221
  306   2HD   LYS  39          3HD       LYS  39  15.004 -14.306 -14.306
  307   1HE   LYS  39          2HE       LYS  39  13.763 -16.494 -16.494
  308   2HE   LYS  39          3HE       LYS  39  13.333 -16.351 -16.351
  309   1HZ   LYS  39          1HZ       LYS  39  12.728 -14.050 -14.050
  310   2HZ   LYS  39          2HZ       LYS  39  11.870 -15.389 -15.389
  311   3HZ   LYS  39          3HZ       LYS  39  11.829 -14.787 -14.787
  312    H    GLY  40           HN       GLY  40  17.317 -12.227 -12.227
  313   1HA   GLY  40          1HA       GLY  40  17.650 -10.209 -10.209
  314   2HA   GLY  40          2HA       GLY  40  18.934 -10.901 -10.901
  315    H    SER  41           HN       SER  41  19.980 -12.154 -12.154
  316    HA   SER  41           HA       SER  41  21.426  -9.735  -9.735
  317   1HB   SER  41          2HB       SER  41  22.141 -12.684 -12.684
  318   2HB   SER  41          3HB       SER  41  23.044 -11.508 -11.508
  319    HG   SER  41           HG       SER  41  23.567 -12.144 -12.144
  320    H    TYR  42           HN       TYR  42  22.142  -9.663  -9.663
  321    HA   TYR  42           HA       TYR  42  20.052 -10.853 -10.853
  322   1HB   TYR  42          2HB       TYR  42  21.236  -8.047  -8.047
  323   2HB   TYR  42          3HB       TYR  42  20.613  -8.537  -8.537
  324    HD1  TYR  42           HD1      TYR  42  19.690  -7.907  -7.907
  325    HD2  TYR  42           HD2      TYR  42  18.254  -8.641  -8.641
  326    HE1  TYR  42           HE1      TYR  42  17.341  -7.255  -7.255
  327    HE2  TYR  42           HE2      TYR  42  15.910  -7.987  -7.987
  328    HH   TYR  42           HH       TYR  42  15.166  -6.259  -6.259
  329    H    SER  43           HN       SER  43  20.702 -10.932 -10.932
  330    HA   SER  43           HA       SER  43  23.578 -10.973 -10.973
  331   1HB   SER  43          2HB       SER  43  21.876 -13.290 -13.290
  332   2HB   SER  43          3HB       SER  43  23.624 -13.197 -13.197
  333    HG   SER  43           HG       SER  43  23.567 -13.356 -13.356
  334    H    LEU  44           HN       LEU  44  24.197 -10.165 -10.165
  335    HA   LEU  44           HA       LEU  44  21.996  -9.629  -9.629
  336   1HB   LEU  44          2HB       LEU  44  22.970  -7.624  -7.624
  337   2HB   LEU  44          3HB       LEU  44  24.597  -8.204  -8.204
  338    HG   LEU  44           HG       LEU  44  24.155  -8.152  -8.152
  339   1HD1  LEU  44          1HD1      LEU  44  21.501  -8.127  -8.127
  340   2HD1  LEU  44          2HD1      LEU  44  21.786  -6.428  -6.428
  341   3HD1  LEU  44          3HD1      LEU  44  22.163  -7.731  -7.731
  342   1HD2  LEU  44          2HD2      LEU  44  24.721  -6.042  -6.042
  343   2HD2  LEU  44          3HD2      LEU  44  25.008  -6.098  -6.098
  344   3HD2  LEU  44          1HD2      LEU  44  23.505  -5.387  -5.387
  345    H    SER  45           HN       SER  45  22.462  -9.841  -9.841
  346    HA   SER  45           HA       SER  45  24.778 -11.426 -11.426
  347   1HB   SER  45          2HB       SER  45  21.974 -12.441 -12.441
  348   2HB   SER  45          3HB       SER  45  23.478 -13.220 -13.220
  349    HG   SER  45           HG       SER  45  22.745 -14.252 -14.252
  350    H    VAL  46           HN       VAL  46  25.529 -10.939 -10.939
  351    HA   VAL  46           HA       VAL  46  23.648  -9.591  -9.591
  352    HB   VAL  46           HB       VAL  46  26.459  -8.664  -8.664
  353   1HG1  VAL  46          3HG1      VAL  46  24.444  -7.933  -7.933
  354   2HG1  VAL  46          1HG1      VAL  46  25.338  -6.598  -6.598
  355   3HG1  VAL  46          2HG1      VAL  46  26.222  -7.901  -7.901
  356   1HG2  VAL  46          2HG2      VAL  46  24.786  -8.265  -8.265
  357   2HG2  VAL  46          3HG2      VAL  46  25.497  -6.788  -6.788
  358   3HG2  VAL  46          1HG2      VAL  46  23.848  -7.280  -7.280
  359    H    ARG  47           HN       ARG  47  24.211  -9.794  -9.794
  360    HA   ARG  47           HA       ARG  47  25.560 -12.275 -12.275
  361   1HB   ARG  47          2HB       ARG  47  23.348 -11.363 -11.363
  362   2HB   ARG  47          3HB       ARG  47  24.438 -10.487 -10.487
  363   1HG   ARG  47          2HG       ARG  47  25.618 -12.761 -12.761
  364   2HG   ARG  47          3HG       ARG  47  24.239 -13.504 -13.504
  365   1HD   ARG  47          2HD       ARG  47  22.709 -12.425 -12.425
  366   2HD   ARG  47          3HD       ARG  47  24.089 -11.684 -11.684
  367    HE   ARG  47           HE       ARG  47  24.637 -14.459 -14.459
  368   1HH1  ARG  47          2HH2      ARG  47  22.271 -12.335 -12.335
  369   2HH1  ARG  47          1HH2      ARG  47  21.988 -13.393 -13.393
  370   1HH2  ARG  47          2HH1      ARG  47  24.264 -15.854 -15.854
  371   2HH2  ARG  47          1HH1      ARG  47  23.129 -15.408 -15.408
  372    H    ASP  48           HN       ASP  48  27.522 -12.545 -12.545
  373    HA   ASP  48           HA       ASP  48  28.722 -10.135 -10.135
  374   1HB   ASP  48          2HB       ASP  48  29.498 -10.617 -10.617
  375   2HB   ASP  48          3HB       ASP  48  30.265 -12.060 -12.060
  376    H    TYR  49           HN       TYR  49  30.772 -10.783 -10.783
  377    HA   TYR  49           HA       TYR  49  30.619 -13.569 -13.569
  378   1HB   TYR  49          2HB       TYR  49  29.336 -11.752 -11.752
  379   2HB   TYR  49          3HB       TYR  49  30.909 -11.060 -11.060
  380    HD1  TYR  49           HD2      TYR  49  32.651 -12.551 -12.551
  381    HD2  TYR  49           HD1      TYR  49  28.492 -13.533 -13.533
  382    HE1  TYR  49           HE2      TYR  49  32.915 -14.145 -14.145
  383    HE2  TYR  49           HE1      TYR  49  28.771 -15.123 -15.123
  384    HH   TYR  49           HH       TYR  49  31.744 -16.184 -16.184
  385    H    ASP  50           HN       ASP  50  32.586 -14.355 -14.355
  386    HA   ASP  50           HA       ASP  50  34.856 -12.589 -12.589
  387   1HB   ASP  50          2HB       ASP  50  34.612 -15.529 -15.529
  388   2HB   ASP  50          3HB       ASP  50  36.140 -14.672 -14.672
  389    HA   PRO  51           HA       PRO  51  35.818 -14.138 -14.138
  390   1HB   PRO  51          2HB       PRO  51  38.412 -13.313 -13.313
  391   2HB   PRO  51          3HB       PRO  51  37.041 -12.258 -12.258
  392   1HG   PRO  51          2HG       PRO  51  38.869 -12.344 -12.344
  393   2HG   PRO  51          3HG       PRO  51  37.787 -11.059 -11.059
  394   1HD   PRO  51          2HD       PRO  51  37.373 -12.916 -12.916
  395   2HD   PRO  51          3HD       PRO  51  36.241 -11.707 -11.707
  396    H    ARG  52           HN       ARG  52  36.937 -15.439 -15.439
  397    HA   ARG  52           HA       ARG  52  38.469 -17.409 -17.409
  398   1HB   ARG  52          2HB       ARG  52  38.423 -16.641 -16.641
  399   2HB   ARG  52          3HB       ARG  52  39.208 -18.105 -18.105
  400   1HG   ARG  52          2HG       ARG  52  40.903 -16.949 -16.949
  401   2HG   ARG  52          3HG       ARG  52  39.898 -15.546 -15.546
  402   1HD   ARG  52          2HD       ARG  52  41.197 -14.646 -14.646
  403   2HD   ARG  52          3HD       ARG  52  39.966 -15.378 -15.378
  404    HE   ARG  52           HE       ARG  52  41.912 -17.381 -17.381
  405   1HH1  ARG  52          2HH2      ARG  52  41.718 -14.248 -14.248
  406   2HH1  ARG  52          1HH2      ARG  52  42.961 -14.613 -14.613
  407   1HH2  ARG  52          2HH1      ARG  52  43.552 -17.862 -17.862
  408   2HH2  ARG  52          1HH1      ARG  52  44.011 -16.682 -16.682
  409    H    GLN  53           HN       GLN  53  36.175 -17.143 -17.143
  410    HA   GLN  53           HA       GLN  53  35.453 -19.881 -19.881
  411   1HB   GLN  53          2HB       GLN  53  34.488 -17.644 -17.644
  412   2HB   GLN  53          3HB       GLN  53  33.772 -19.243 -19.243
  413   1HG   GLN  53          2HG       GLN  53  36.681 -19.463 -19.463
  414   2HG   GLN  53          3HG       GLN  53  36.141 -18.382 -18.382
  415   1HE2  GLN  53          1HE2      GLN  53  35.751 -19.310 -19.310
  416   2HE2  GLN  53          2HE2      GLN  53  35.165 -20.917 -20.917
  417    H    GLY  54           HN       GLY  54  33.472 -16.822 -16.822
  418   1HA   GLY  54          1HA       GLY  54  32.252 -16.518 -16.518
  419   2HA   GLY  54          2HA       GLY  54  31.625 -18.125 -18.125
  420    H    ASP  55           HN       ASP  55  29.449 -17.688 -17.688
  421    HA   ASP  55           HA       ASP  55  28.532 -15.474 -15.474
  422   1HB   ASP  55          2HB       ASP  55  27.288 -18.252 -18.252
  423   2HB   ASP  55          3HB       ASP  55  26.411 -16.834 -16.834
  424    H    THR  56           HN       THR  56  28.986 -14.993 -14.993
  425    HA   THR  56           HA       THR  56  28.853 -17.221 -17.221
  426    HB   THR  56           HB       THR  56  30.819 -16.332 -16.332
  427    HG1  THR  56           HG1      THR  56  30.599 -14.227 -14.227
  428   1HG2  THR  56          3HG2      THR  56  30.955 -17.051 -17.051
  429   2HG2  THR  56          1HG2      THR  56  32.025 -15.648 -15.648
  430   3HG2  THR  56          2HG2      THR  56  32.265 -17.122 -17.122
  431    H    VAL  57           HN       VAL  57  28.620 -16.308 -16.308
  432    HA   VAL  57           HA       VAL  57  26.989 -13.891 -13.891
  433    HB   VAL  57           HB       VAL  57  26.062 -16.434 -16.434
  434   1HG1  VAL  57          1HG1      VAL  57  24.792 -13.742 -13.742
  435   2HG1  VAL  57          2HG1      VAL  57  23.851 -15.179 -15.179
  436   3HG1  VAL  57          3HG1      VAL  57  25.081 -14.523 -14.523
  437   1HG2  VAL  57          3HG2      VAL  57  25.300 -15.354 -15.354
  438   2HG2  VAL  57          1HG2      VAL  57  26.095 -16.905 -16.905
  439   3HG2  VAL  57          2HG2      VAL  57  24.412 -16.627 -16.627
  440    H    LYS  58           HN       LYS  58  27.653 -12.556 -12.556
  441    HA   LYS  58           HA       LYS  58  29.400 -13.696 -13.696
  442   1HB   LYS  58          2HB       LYS  58  28.839 -10.874 -10.874
  443   2HB   LYS  58          3HB       LYS  58  29.780 -11.219 -11.219
  444   1HG   LYS  58          2HG       LYS  58  30.455 -12.548 -12.548
  445   2HG   LYS  58          3HG       LYS  58  31.035 -10.935 -10.935
  446   1HD   LYS  58          2HD       LYS  58  32.808 -12.190 -12.190
  447   2HD   LYS  58          3HD       LYS  58  31.831 -12.052 -12.052
  448   1HE   LYS  58          2HE       LYS  58  31.345 -14.290 -14.290
  449   2HE   LYS  58          3HE       LYS  58  31.033 -14.346 -14.346
  450   1HZ   LYS  58          3HZ       LYS  58  33.778 -13.931 -13.931
  451   2HZ   LYS  58          1HZ       LYS  58  33.198 -15.351 -15.351
  452   3HZ   LYS  58          2HZ       LYS  58  33.100 -15.001 -15.001
  453    H    HIS  59           HN       HIS  59  29.105 -13.126 -13.126
  454    HA   HIS  59           HA       HIS  59  26.366 -12.390 -12.390
  455   1HB   HIS  59          2HB       HIS  59  27.692 -14.756 -14.756
  456   2HB   HIS  59          3HB       HIS  59  26.022 -14.240 -14.240
  457    HD1  HIS  59           HD1      HIS  59  24.638 -14.406 -14.406
  458    HD2  HIS  59           HD2      HIS  59  28.119 -16.708 -16.708
  459    HE1  HIS  59           HE1      HIS  59  24.513 -16.225 -16.225
  460    H    TYR  60           HN       TYR  60  26.355 -10.815 -10.815
  461    HA   TYR  60           HA       TYR  60  28.810 -10.526 -10.526
  462   1HB   TYR  60          2HB       TYR  60  26.609  -8.511  -8.511
  463   2HB   TYR  60          3HB       TYR  60  28.141  -8.108  -8.108
  464    HD1  TYR  60           HD2      TYR  60  30.277  -8.989  -8.989
  465    HD2  TYR  60           HD1      TYR  60  26.408  -8.110  -8.110
  466    HE1  TYR  60           HE2      TYR  60  31.302  -8.632  -8.632
  467    HE2  TYR  60           HE1      TYR  60  27.445  -7.756  -7.756
  468    HH   TYR  60           HH       TYR  60  30.959  -8.048  -8.048
  469    H    LYS  61           HN       LYS  61  28.388  -9.340  -9.340
  470    HA   LYS  61           HA       LYS  61  25.950 -10.491 -10.491
  471   1HB   LYS  61          2HB       LYS  61  27.113 -11.080 -11.080
  472   2HB   LYS  61          3HB       LYS  61  28.379 -11.258 -11.258
  473   1HG   LYS  61          2HG       LYS  61  27.925  -8.738  -8.738
  474   2HG   LYS  61          3HG       LYS  61  29.110  -9.973  -9.973
  475   1HD   LYS  61          2HD       LYS  61  29.941  -9.553  -9.553
  476   2HD   LYS  61          3HD       LYS  61  29.071  -8.040  -8.040
  477   1HE   LYS  61          2HE       LYS  61  30.395  -7.809  -7.809
  478   2HE   LYS  61          3HE       LYS  61  31.464  -9.011  -9.011
  479   1HZ   LYS  61          2HZ       LYS  61  30.838  -6.933  -6.933
  480   2HZ   LYS  61          3HZ       LYS  61  31.555  -6.363  -6.363
  481   3HZ   LYS  61          1HZ       LYS  61  32.297  -7.509  -7.509
  482    H    ILE  62           HN       ILE  62  24.915  -9.222  -9.222
  483    HA   ILE  62           HA       ILE  62  25.527  -6.363  -6.363
  484    HB   ILE  62           HB       ILE  62  22.859  -7.724  -7.724
  485   1HG1  ILE  62          2HG1      ILE  62  23.910  -5.521  -5.521
  486   2HG1  ILE  62          3HG1      ILE  62  24.569  -7.134  -7.134
  487   1HG2  ILE  62          2HG2      ILE  62  23.428  -5.224  -5.224
  488   2HG2  ILE  62          3HG2      ILE  62  22.468  -4.950  -4.950
  489   3HG2  ILE  62          1HG2      ILE  62  21.879  -6.071  -6.071
  490   1HD1  ILE  62          2HD1      ILE  62  21.578  -6.903  -6.903
  491   2HD1  ILE  62          3HD1      ILE  62  22.361  -6.332  -6.332
  492   3HD1  ILE  62          1HD1      ILE  62  22.575  -8.018  -8.018
  493    H    ARG  63           HN       ARG  63  26.380  -5.924  -5.924
  494    HA   ARG  63           HA       ARG  63  25.177  -7.252  -7.252
  495   1HB   ARG  63          2HB       ARG  63  27.719  -5.597  -5.597
  496   2HB   ARG  63          3HB       ARG  63  27.153  -6.096  -6.096
  497   1HG   ARG  63          2HG       ARG  63  27.187  -8.331  -8.331
  498   2HG   ARG  63          3HG       ARG  63  28.769  -7.605  -7.605
  499   1HD   ARG  63          2HD       ARG  63  28.768  -8.003  -8.003
  500   2HD   ARG  63          3HD       ARG  63  27.050  -8.351  -8.351
  501    HE   ARG  63           HE       ARG  63  28.519 -10.166 -10.166
  502   1HH1  ARG  63          2HH2      ARG  63  27.595  -9.558  -9.558
  503   2HH1  ARG  63          1HH2      ARG  63  27.742 -11.216 -11.216
  504   1HH2  ARG  63          2HH1      ARG  63  28.713 -12.355 -12.355
  505   2HH2  ARG  63          1HH1      ARG  63  28.383 -12.818 -12.818
  506    H    THR  64           HN       THR  64  24.355  -6.037  -6.037
  507    HA   THR  64           HA       THR  64  23.561  -3.302  -3.302
  508    HB   THR  64           HB       THR  64  21.576  -3.724  -3.724
  509    HG1  THR  64           HG1      THR  64  23.209  -5.933  -5.933
  510   1HG2  THR  64          2HG2      THR  64  22.020  -5.430  -5.430
  511   2HG2  THR  64          3HG2      THR  64  22.132  -6.614  -6.614
  512   3HG2  THR  64          1HG2      THR  64  20.640  -5.671  -5.671
  513    H    LEU  65           HN       LEU  65  23.590  -1.627  -1.627
  514    HA   LEU  65           HA       LEU  65  25.810  -2.060  -2.060
  515   1HB   LEU  65          2HB       LEU  65  24.569   0.501   0.501
  516   2HB   LEU  65          3HB       LEU  65  25.954   0.383   0.383
  517    HG   LEU  65           HG       LEU  65  26.063  -0.980  -0.980
  518   1HD1  LEU  65          1HD1      LEU  65  25.184   1.396   1.396
  519   2HD1  LEU  65          2HD1      LEU  65  26.774   1.938   1.938
  520   3HD1  LEU  65          3HD1      LEU  65  26.659   0.964   0.964
  521   1HD2  LEU  65          1HD2      LEU  65  28.054   0.207   0.207
  522   2HD2  LEU  65          2HD2      LEU  65  27.926  -1.465  -1.465
  523   3HD2  LEU  65          3HD2      LEU  65  28.483  -0.170  -0.170
  524    H    ASP  66           HN       ASP  66  25.648  -1.330  -1.330
  525    HA   ASP  66           HA       ASP  66  23.432  -2.192  -2.192
  526   1HB   ASP  66          2HB       ASP  66  25.680  -0.322  -0.322
  527   2HB   ASP  66          3HB       ASP  66  24.313  -0.341  -0.341
  528    H    ASN  67           HN       ASN  67  24.385   1.236   1.236
  529    HA   ASN  67           HA       ASN  67  21.559   1.912   1.912
  530   1HB   ASN  67          2HB       ASN  67  22.322   4.209   4.209
  531   2HB   ASN  67          3HB       ASN  67  22.723   2.938   2.938
  532   1HD2  ASN  67          2HD2      ASN  67  25.748   4.930   4.930
  533   2HD2  ASN  67          1HD2      ASN  67  24.137   4.984   4.984
  534    H    GLY  68           HN       GLY  68  21.897   1.270   1.270
  535   1HA   GLY  68          1HA       GLY  68  22.325   3.703   3.703
  536   2HA   GLY  68          2HA       GLY  68  23.482   2.427   2.427
  537    H    GLY  69           HN       GLY  69  22.964   1.158   1.158
  538   1HA   GLY  69          1HA       GLY  69  20.188   0.277   0.277
  539   2HA   GLY  69          2HA       GLY  69  20.905   1.182   1.182
  540    H    PHE  70           HN       PHE  70  22.223   0.137   0.137
  541    HA   PHE  70           HA       PHE  70  23.369  -2.417  -2.417
  542   1HB   PHE  70          2HB       PHE  70  21.654  -1.913  -1.913
  543   2HB   PHE  70          3HB       PHE  70  22.385  -3.445  -3.445
  544    HD1  PHE  70           HD1      PHE  70  19.973  -0.926  -0.926
  545    HD2  PHE  70           HD2      PHE  70  21.129  -5.006  -5.006
  546    HE1  PHE  70           HE1      PHE  70  17.894  -1.563  -1.563
  547    HE2  PHE  70           HE2      PHE  70  19.050  -5.643  -5.643
  548   1HZ   PHE  70           HZ       PHE  70  17.457  -3.914  -3.914
  549    H    TYR  71           HN       TYR  71  25.409  -2.680  -2.680
  550    HA   TYR  71           HA       TYR  71  26.128  -0.984  -0.984
  551   1HB   TYR  71          2HB       TYR  71  28.256  -0.546  -0.546
  552   2HB   TYR  71          3HB       TYR  71  26.920  -0.115  -0.115
  553    HD1  TYR  71           HD2      TYR  71  26.121  -1.943  -1.943
  554    HD2  TYR  71           HD1      TYR  71  29.915  -2.013  -2.013
  555    HE1  TYR  71           HE2      TYR  71  27.035  -3.496  -3.496
  556    HE2  TYR  71           HE1      TYR  71  30.816  -3.566  -3.566
  557    HH   TYR  71           HH       TYR  71  30.110  -3.933  -3.933
  558    H    ILE  72           HN       ILE  72  27.648  -1.875  -1.875
  559    HA   ILE  72           HA       ILE  72  27.996  -4.760  -4.760
  560    HB   ILE  72           HB       ILE  72  27.785  -2.947  -2.947
  561   1HG1  ILE  72          2HG1      ILE  72  26.386  -5.473  -5.473
  562   2HG1  ILE  72          3HG1      ILE  72  25.713  -3.859  -3.859
  563   1HG2  ILE  72          3HG2      ILE  72  29.050  -5.695  -5.695
  564   2HG2  ILE  72          1HG2      ILE  72  28.416  -4.925  -4.925
  565   3HG2  ILE  72          2HG2      ILE  72  29.760  -4.171  -4.171
  566   1HD1  ILE  72          2HD1      ILE  72  26.425  -4.029  -4.029
  567   2HD1  ILE  72          3HD1      ILE  72  26.428  -5.779  -5.779
  568   3HD1  ILE  72          1HD1      ILE  72  24.939  -4.833  -4.833
  569    H    SER  73           HN       SER  73  29.721  -1.706  -1.706
  570    HA   SER  73           HA       SER  73  32.182  -3.152  -3.152
  571   1HB   SER  73          2HB       SER  73  32.107  -2.436  -2.436
  572   2HB   SER  73          3HB       SER  73  31.716  -0.794  -0.794
  573    HG   SER  73           HG       SER  73  33.785  -0.497  -0.497
  574    HA   PRO  74           HA       PRO  74  32.722  -0.240  -0.240
  575   1HB   PRO  74          2HB       PRO  74  35.408  -0.453  -0.453
  576   2HB   PRO  74          3HB       PRO  74  34.235  -1.596  -1.596
  577   1HG   PRO  74          2HG       PRO  74  36.125  -1.925  -1.925
  578   2HG   PRO  74          3HG       PRO  74  35.267  -3.158  -3.158
  579   1HD   PRO  74          2HD       PRO  74  34.629  -2.196  -2.196
  580   2HD   PRO  74          3HD       PRO  74  33.705  -3.344  -3.344
  581    H    ARG  75           HN       ARG  75  32.160   1.166   1.166
  582    HA   ARG  75           HA       ARG  75  34.171   3.240   3.240
  583   1HB   ARG  75          2HB       ARG  75  32.915   2.279   2.279
  584   2HB   ARG  75          3HB       ARG  75  33.941   3.692   3.692
  585   1HG   ARG  75          2HG       ARG  75  35.012   1.093   1.093
  586   2HG   ARG  75          3HG       ARG  75  34.920   1.259   1.259
  587   1HD   ARG  75          2HD       ARG  75  36.020   3.706   3.706
  588   2HD   ARG  75          3HD       ARG  75  36.716   2.629   2.629
  589    HE   ARG  75           HE       ARG  75  37.437   2.749   2.749
  590   1HH1  ARG  75          2HH2      ARG  75  36.875   0.395   0.395
  591   2HH1  ARG  75          1HH2      ARG  75  37.939  -0.790  -0.790
  592   1HH2  ARG  75          2HH1      ARG  75  38.841   1.187   1.187
  593   2HH2  ARG  75          1HH1      ARG  75  39.065  -0.336  -0.336
  594    H    SER  76           HN       SER  76  31.099   2.614   2.614
  595    HA   SER  76           HA       SER  76  30.004   4.951   4.951
  596   1HB   SER  76          2HB       SER  76  29.705   4.070   4.070
  597   2HB   SER  76          3HB       SER  76  28.608   5.219   5.219
  598    HG   SER  76           HG       SER  76  30.882   6.260   6.260
  599    H    THR  77           HN       THR  77  28.339   4.361   4.361
  600    HA   THR  77           HA       THR  77  26.972   1.837   1.837
  601    HB   THR  77           HB       THR  77  26.247   2.087   2.087
  602    HG1  THR  77           HG1      THR  77  26.085   4.389   4.389
  603   1HG2  THR  77          3HG2      THR  77  28.748   1.405   1.405
  604   2HG2  THR  77          1HG2      THR  77  29.137   3.003   3.003
  605   3HG2  THR  77          2HG2      THR  77  28.342   1.773   1.773
  606    H    PHE  78           HN       PHE  78  24.549   1.816   1.816
  607    HA   PHE  78           HA       PHE  78  23.293   4.306   4.306
  608   1HB   PHE  78          2HB       PHE  78  22.698   1.485   1.485
  609   2HB   PHE  78          3HB       PHE  78  21.941   2.967   2.967
  610    HD1  PHE  78           HD2      PHE  78  25.165   1.147   1.147
  611    HD2  PHE  78           HD1      PHE  78  22.926   4.268   4.268
  612    HE1  PHE  78           HE2      PHE  78  26.930   1.391   1.391
  613    HE2  PHE  78           HE1      PHE  78  24.691   4.512   4.512
  614   1HZ   PHE  78           HZ       PHE  78  26.672   3.070   3.070
  615    H    SER  79           HN       SER  79  21.481   4.785   4.785
  616    HA   SER  79           HA       SER  79  20.852   3.171   3.171
  617   1HB   SER  79          2HB       SER  79  19.297   5.465   5.465
  618   2HB   SER  79          3HB       SER  79  18.930   4.777   4.777
  619    HG   SER  79           HG       SER  79  21.280   5.310   5.310
  620    H    THR  80           HN       THR  80  19.705   3.318   3.318
  621    HA   THR  80           HA       THR  80  17.826   1.148   1.148
  622    HB   THR  80           HB       THR  80  16.147   2.212   2.212
  623    HG1  THR  80           HG1      THR  80  16.828   3.924   3.924
  624   1HG2  THR  80          1HG2      THR  80  16.793   3.273   3.273
  625   2HG2  THR  80          2HG2      THR  80  17.075   4.688   4.688
  626   3HG2  THR  80          3HG2      THR  80  15.476   3.905   3.905
  627    H    LEU  81           HN       LEU  81  17.416  -0.323  -0.323
  628    HA   LEU  81           HA       LEU  81  19.800  -0.720  -0.720
  629   1HB   LEU  81          2HB       LEU  81  17.224  -2.207  -2.207
  630   2HB   LEU  81          3HB       LEU  81  18.325  -2.664  -2.664
  631    HG   LEU  81           HG       LEU  81  19.255  -2.445  -2.445
  632   1HD1  LEU  81          2HD1      LEU  81  17.214  -4.031  -4.031
  633   2HD1  LEU  81          3HD1      LEU  81  18.449  -5.086  -5.086
  634   3HD1  LEU  81          1HD1      LEU  81  18.599  -4.583  -4.583
  635   1HD2  LEU  81          1HD2      LEU  81  20.429  -3.261  -3.261
  636   2HD2  LEU  81          2HD2      LEU  81  21.208  -2.792  -2.792
  637   3HD2  LEU  81          3HD2      LEU  81  20.648  -4.465  -4.465
  638    H    GLN  82           HN       GLN  82  16.695   0.847   0.847
  639    HA   GLN  82           HA       GLN  82  16.593   0.596   0.596
  640   1HB   GLN  82          2HB       GLN  82  14.666   1.194   1.194
  641   2HB   GLN  82          3HB       GLN  82  15.375   2.783   2.783
  642   1HG   GLN  82          2HG       GLN  82  14.345   3.468   3.468
  643   2HG   GLN  82          3HG       GLN  82  15.328   2.344   2.344
  644   1HE2  GLN  82          2HE2      GLN  82  12.616   0.460   0.460
  645   2HE2  GLN  82          1HE2      GLN  82  14.162   1.173   1.173
  646    H    GLU  83           HN       GLU  83  18.342   2.710   2.710
  647    HA   GLU  83           HA       GLU  83  18.894   4.642   4.642
  648   1HB   GLU  83          2HB       GLU  83  19.881   4.266   4.266
  649   2HB   GLU  83          3HB       GLU  83  20.459   5.560   5.560
  650   1HG   GLU  83          2HG       GLU  83  17.512   5.352   5.352
  651   2HG   GLU  83          3HG       GLU  83  18.157   5.630   5.630
  652    H    LEU  84           HN       LEU  84  20.262   1.643   1.643
  653    HA   LEU  84           HA       LEU  84  22.887   2.195   2.195
  654   1HB   LEU  84          2HB       LEU  84  22.755   0.936   0.936
  655   2HB   LEU  84          3HB       LEU  84  21.605  -0.191  -0.191
  656    HG   LEU  84           HG       LEU  84  24.438   0.095   0.095
  657   1HD1  LEU  84          3HD1      LEU  84  23.397  -1.337  -1.337
  658   2HD1  LEU  84          1HD1      LEU  84  24.514  -2.243  -2.243
  659   3HD1  LEU  84          2HD1      LEU  84  25.020  -0.689  -0.689
  660   1HD2  LEU  84          3HD2      LEU  84  22.121  -1.396  -1.396
  661   2HD2  LEU  84          1HD2      LEU  84  23.718  -1.232  -1.232
  662   3HD2  LEU  84          2HD2      LEU  84  23.442  -2.500  -2.500
  663    H    VAL  85           HN       VAL  85  19.835   0.723   0.723
  664    HA   VAL  85           HA       VAL  85  20.994  -0.716  -0.716
  665    HB   VAL  85           HB       VAL  85  18.185   0.023   0.023
  666   1HG1  VAL  85          2HG1      VAL  85  18.288  -0.086  -0.086
  667   2HG1  VAL  85          3HG1      VAL  85  19.021  -1.705  -1.705
  668   3HG1  VAL  85          1HG1      VAL  85  17.358  -1.442  -1.442
  669   1HG2  VAL  85          2HG2      VAL  85  20.000  -2.068  -2.068
  670   2HG2  VAL  85          3HG2      VAL  85  18.326  -1.804  -1.804
  671   3HG2  VAL  85          1HG2      VAL  85  18.647  -2.786  -2.786
  672    H    ASP  86           HN       ASP  86  19.646   2.534   2.534
  673    HA   ASP  86           HA       ASP  86  19.434   3.134   3.134
  674   1HB   ASP  86          2HB       ASP  86  19.283   4.659   4.659
  675   2HB   ASP  86          3HB       ASP  86  19.512   5.584   5.584
  676    H    HIS  87           HN       HIS  87  21.873   3.448   3.448
  677    HA   HIS  87           HA       HIS  87  23.553   5.230   5.230
  678   1HB   HIS  87          2HB       HIS  87  23.510   5.025   5.025
  679   2HB   HIS  87          3HB       HIS  87  24.149   3.398   3.398
  680    HD1  HIS  87           HD1      HIS  87  26.522   3.544   3.544
  681    HD2  HIS  87           HD2      HIS  87  25.538   6.688   6.688
  682    HE1  HIS  87           HE1      HIS  87  28.673   4.865   4.865
  683    H    TYR  88           HN       TYR  88  23.206   1.681   1.681
  684    HA   TYR  88           HA       TYR  88  25.665   1.132   1.132
  685   1HB   TYR  88          2HB       TYR  88  23.104  -0.269  -0.269
  686   2HB   TYR  88          3HB       TYR  88  24.153  -1.126  -1.126
  687    HD1  TYR  88           HD1      TYR  88  25.630   1.140   1.140
  688    HD2  TYR  88           HD2      TYR  88  24.522  -2.908  -2.908
  689    HE1  TYR  88           HE1      TYR  88  27.053   0.344   0.344
  690    HE2  TYR  88           HE2      TYR  88  25.949  -3.691  -3.691
  691    HH   TYR  88           HH       TYR  88  27.908  -1.383  -1.383
  692    H    LYS  89           HN       LYS  89  22.426   2.042   2.042
  693    HA   LYS  89           HA       LYS  89  22.692   0.870   0.870
  694   1HB   LYS  89          2HB       LYS  89  20.604   2.399   2.399
  695   2HB   LYS  89          3HB       LYS  89  20.549   2.441   2.441
  696   1HG   LYS  89          2HG       LYS  89  19.994   0.209   0.209
  697   2HG   LYS  89          3HG       LYS  89  21.016  -0.266  -0.266
  698   1HD   LYS  89          2HD       LYS  89  19.142  -0.435  -0.435
  699   2HD   LYS  89          3HD       LYS  89  19.017   1.312   1.312
  700   1HE   LYS  89          2HE       LYS  89  17.629   1.193   1.193
  701   2HE   LYS  89          3HE       LYS  89  17.846  -0.543  -0.543
  702   1HZ   LYS  89          1HZ       LYS  89  16.759  -0.693  -0.693
  703   2HZ   LYS  89          2HZ       LYS  89  16.484   0.917   0.917
  704   3HZ   LYS  89          3HZ       LYS  89  15.782  -0.041  -0.041
  705    H    LYS  90           HN       LYS  90  23.275   3.977   3.977
  706    HA   LYS  90           HA       LYS  90  23.518   5.463   5.463
  707   1HB   LYS  90          2HB       LYS  90  23.964   5.922   5.922
  708   2HB   LYS  90          3HB       LYS  90  24.831   6.967   6.967
  709   1HG   LYS  90          2HG       LYS  90  22.923   8.034   8.034
  710   2HG   LYS  90          3HG       LYS  90  21.989   6.552   6.552
  711   1HD   LYS  90          2HD       LYS  90  21.033   7.920   7.920
  712   2HD   LYS  90          3HD       LYS  90  21.882   6.608   6.608
  713   1HE   LYS  90          2HE       LYS  90  23.669   8.001   8.001
  714   2HE   LYS  90          3HE       LYS  90  23.349   9.205   9.205
  715   1HZ   LYS  90          2HZ       LYS  90  21.243   8.721   8.721
  716   2HZ   LYS  90          3HZ       LYS  90  22.572   9.491   9.491
  717   3HZ   LYS  90          1HZ       LYS  90  21.721  10.122  10.122
  718    H    GLY  91           HN       GLY  91  25.633   3.387   3.387
  719   1HA   GLY  91          1HA       GLY  91  27.516   3.075   3.075
  720   2HA   GLY  91          2HA       GLY  91  28.114   4.318   4.318
  721    H    ASN  92           HN       ASN  92  29.274   1.657   1.657
  722    HA   ASN  92           HA       ASN  92  28.534  -0.124  -0.124
  723   1HB   ASN  92          2HB       ASN  92  31.043  -0.868  -0.868
  724   2HB   ASN  92          3HB       ASN  92  30.014  -0.965  -0.965
  725   1HD2  ASN  92          2HD2      ASN  92  33.401   1.041   1.041
  726   2HD2  ASN  92          1HD2      ASN  92  32.979  -0.241  -0.241
  727    H    ASP  93           HN       ASP  93  31.148   2.413   2.413
  728    HA   ASP  93           HA       ASP  93  32.440   3.221   3.221
  729   1HB   ASP  93          2HB       ASP  93  30.245   4.431   4.431
  730   2HB   ASP  93          3HB       ASP  93  29.812   3.274   3.274
  731    H    GLY  94           HN       GLY  94  32.851   0.524   0.524
  732   1HA   GLY  94          1HA       GLY  94  34.063  -0.278  -0.278
  733   2HA   GLY  94          2HA       GLY  94  32.443  -0.352  -0.352
  734    H    LEU  95           HN       LEU  95  30.880  -1.301  -1.301
  735    HA   LEU  95           HA       LEU  95  31.484  -4.035  -4.035
  736   1HB   LEU  95          2HB       LEU  95  29.566  -2.502  -2.502
  737   2HB   LEU  95          3HB       LEU  95  29.581  -4.240  -4.240
  738    HG   LEU  95           HG       LEU  95  28.955  -2.147  -2.147
  739   1HD1  LEU  95          1HD1      LEU  95  27.337  -3.807  -3.807
  740   2HD1  LEU  95          2HD1      LEU  95  26.815  -3.832  -3.832
  741   3HD1  LEU  95          3HD1      LEU  95  26.944  -2.284  -2.284
  742   1HD2  LEU  95          3HD2      LEU  95  29.830  -4.922  -4.922
  743   2HD2  LEU  95          1HD2      LEU  95  29.701  -3.622  -3.622
  744   3HD2  LEU  95          2HD2      LEU  95  28.269  -4.591  -4.591
  745    H    CYS  96           HN       CYS  96  31.443  -5.328  -5.328
  746    HA   CYS  96           HA       CYS  96  33.871  -4.551  -4.551
  747   1HB   CYS  96          2HB       CYS  96  33.564  -6.656  -6.656
  748   2HB   CYS  96          3HB       CYS  96  33.526  -6.890  -6.890
  749    HG   CYS  96           HG       CYS  96  31.741  -8.448  -8.448
  750    H    GLN  97           HN       GLN  97  30.347  -4.663  -4.663
  751    HA   GLN  97           HA       GLN  97  30.861  -2.865  -2.865
  752   1HB   GLN  97          2HB       GLN  97  29.207  -5.409  -5.409
  753   2HB   GLN  97          3HB       GLN  97  29.368  -4.152  -4.152
  754   1HG   GLN  97          2HG       GLN  97  31.979  -4.580  -4.580
  755   2HG   GLN  97          3HG       GLN  97  31.453  -6.117  -6.117
  756   1HE2  GLN  97          2HE2      GLN  97  30.034  -7.367  -7.367
  757   2HE2  GLN  97          1HE2      GLN  97  29.834  -7.330  -7.330
  758    H    LYS  98           HN       LYS  98  29.282  -1.270  -1.270
  759    HA   LYS  98           HA       LYS  98  27.602  -0.788  -0.788
  760   1HB   LYS  98          2HB       LYS  98  26.708   0.983   0.983
  761   2HB   LYS  98          3HB       LYS  98  28.394   0.827   0.827
  762   1HG   LYS  98          2HG       LYS  98  27.660  -0.620  -0.620
  763   2HG   LYS  98          3HG       LYS  98  25.997  -0.252  -0.252
  764   1HD   LYS  98          2HD       LYS  98  27.240   2.273   2.273
  765   2HD   LYS  98          3HD       LYS  98  27.996   1.424   1.424
  766   1HE   LYS  98          2HE       LYS  98  26.091   2.349   2.349
  767   2HE   LYS  98          3HE       LYS  98  25.547   0.725   0.725
  768   1HZ   LYS  98          2HZ       LYS  98  24.581   1.606   1.606
  769   2HZ   LYS  98          3HZ       LYS  98  25.037   3.119   3.119
  770   3HZ   LYS  98          1HZ       LYS  98  23.944   2.318   2.318
  771    H    LEU  99           HN       LEU  99  25.163  -0.696  -0.696
  772    HA   LEU  99           HA       LEU  99  24.190  -3.289  -3.289
  773   1HB   LEU  99          2HB       LEU  99  23.060  -1.056  -1.056
  774   2HB   LEU  99          3HB       LEU  99  22.142  -2.489  -2.489
  775    HG   LEU  99           HG       LEU  99  24.574  -2.259  -2.259
  776   1HD1  LEU  99          1HD1      LEU  99  22.041  -2.093  -2.093
  777   2HD1  LEU  99          2HD1      LEU  99  22.131  -3.868  -3.868
  778   3HD1  LEU  99          3HD1      LEU  99  23.226  -2.974  -2.974
  779   1HD2  LEU  99          1HD2      LEU  99  23.686  -4.628  -4.628
  780   2HD2  LEU  99          2HD2      LEU  99  25.321  -4.102  -4.102
  781   3HD2  LEU  99          3HD2      LEU  99  24.264  -4.884  -4.884
  782    H    SER 100           HN       SER 100  22.366  -3.649  -3.649
  783    HA   SER 100           HA       SER 100  22.014  -1.448  -1.448
  784   1HB   SER 100          2HB       SER 100  21.297  -3.174  -3.174
  785   2HB   SER 100          3HB       SER 100  22.884  -3.541  -3.541
  786    HG   SER 100           HG       SER 100  21.820  -5.471  -5.471
  787    H    VAL 101           HN       VAL 101  19.969  -4.335  -4.335
  788    HA   VAL 101           HA       VAL 101  17.859  -2.507  -2.507
  789    HB   VAL 101           HB       VAL 101  16.235  -3.827  -3.827
  790   1HG1  VAL 101          3HG1      VAL 101  17.690  -1.653  -1.653
  791   2HG1  VAL 101          1HG1      VAL 101  18.066  -2.763  -2.763
  792   3HG1  VAL 101          2HG1      VAL 101  16.374  -2.348  -2.348
  793   1HG2  VAL 101          3HG2      VAL 101  18.747  -5.000  -5.000
  794   2HG2  VAL 101          1HG2      VAL 101  17.461  -5.871  -5.871
  795   3HG2  VAL 101          2HG2      VAL 101  17.120  -5.128  -5.128
  796    HA   PRO 102           HA       PRO 102  17.330  -5.538  -5.538
  797   1HB   PRO 102          2HB       PRO 102  14.736  -5.142  -5.142
  798   2HB   PRO 102          3HB       PRO 102  16.059  -4.130  -4.130
  799   1HG   PRO 102          2HG       PRO 102  13.973  -3.535  -3.535
  800   2HG   PRO 102          3HG       PRO 102  15.023  -2.422  -2.422
  801   1HD   PRO 102          2HD       PRO 102  15.293  -3.289  -3.289
  802   2HD   PRO 102          3HD       PRO 102  16.405  -2.269  -2.269
  803    H    CYS 103           HN       CYS 103  16.690  -7.649  -7.649
  804    HA   CYS 103           HA       CYS 103  16.268  -9.283  -9.283
  805   1HB   CYS 103          2HB       CYS 103  16.614  -9.756  -9.756
  806   2HB   CYS 103          3HB       CYS 103  14.869  -9.908  -9.908
  807    HG   CYS 103           HG       CYS 103  17.177 -11.585 -11.585
  808    H    MET 104           HN       MET 104  14.285 -10.494 -10.494
  809    HA   MET 104           HA       MET 104  12.019  -8.664  -8.664
  810   1HB   MET 104          2HB       MET 104  11.421  -9.772  -9.772
  811   2HB   MET 104          3HB       MET 104  13.083  -9.218  -9.218
  812   1HG   MET 104          2HG       MET 104  13.950 -11.446 -11.446
  813   2HG   MET 104          3HG       MET 104  12.383 -12.057 -12.057
  814   1HE   MET 104          1HE       MET 104  12.260 -13.864 -13.864
  815   2HE   MET 104          2HE       MET 104  10.749 -13.347 -13.347
  816   3HE   MET 104          3HE       MET 104  12.072 -14.030 -14.030
  817    H    SER 105           HN       SER 105   9.808  -9.621  -9.621
  818    HA   SER 105           HA       SER 105   9.818 -11.932 -11.932
  819   1HB   SER 105          2HB       SER 105   8.517  -9.558  -9.558
  820   2HB   SER 105          3HB       SER 105   7.284 -10.451 -10.451
  821    HG   SER 105           HG       SER 105   7.604 -10.527 -10.527
  822    H    SER 106           HN       SER 106   9.160 -13.929 -13.929
  823    HA   SER 106           HA       SER 106   7.662 -13.925 -13.925
  824   1HB   SER 106          2HB       SER 106   8.829 -16.062 -16.062
  825   2HB   SER 106          3HB       SER 106   9.929 -14.703 -14.703
  826    HG   SER 106           HG       SER 106   9.634 -16.959 -16.959
  827    H    LYS 107           HN       LYS 107   5.986 -15.536 -15.536
  828    HA   LYS 107           HA       LYS 107   5.596 -17.429 -17.429
  829   1HB   LYS 107          2HB       LYS 107   4.691 -14.945 -14.945
  830   2HB   LYS 107          3HB       LYS 107   3.274 -15.595 -15.595
  831   1HG   LYS 107          2HG       LYS 107   2.788 -16.816 -16.816
  832   2HG   LYS 107          3HG       LYS 107   4.296 -17.690 -17.690
  833   1HD   LYS 107          2HD       LYS 107   5.220 -15.336 -15.336
  834   2HD   LYS 107          3HD       LYS 107   3.625 -15.408 -15.408
  835   1HE   LYS 107          2HE       LYS 107   4.175 -17.844 -17.844
  836   2HE   LYS 107          3HE       LYS 107   5.826 -17.511 -17.511
  837   1HZ   LYS 107          2HZ       LYS 107   4.691 -15.535 -15.535
  838   2HZ   LYS 107          3HZ       LYS 107   4.833 -17.010 -17.010
  839   3HZ   LYS 107          1HZ       LYS 107   6.150 -16.266 -16.266

  Start of MODEL   14
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.414   0.457   0.457
    3   1HB   MET   1          2HB       MET   1   3.828   0.971   0.971
    4   2HB   MET   1          3HB       MET   1   3.119   1.795   1.795
    5   1HG   MET   1          2HG       MET   1   3.821  -0.217  -0.217
    6   2HG   MET   1          3HG       MET   1   4.712  -0.810  -0.810
    7   1HE   MET   1          1HE       MET   1   4.116   1.740   1.740
    8   2HE   MET   1          2HE       MET   1   5.566   0.958   0.958
    9   3HE   MET   1          3HE       MET   1   5.629   2.663   2.663
   10    H    GLU   2           HN       GLU   2   2.982  -1.914  -1.914
   11    HA   GLU   2           HA       GLU   2   2.304  -4.138  -4.138
   12   1HB   GLU   2          2HB       GLU   2   4.348  -2.743  -2.743
   13   2HB   GLU   2          3HB       GLU   2   4.822  -4.380  -4.380
   14   1HG   GLU   2          2HG       GLU   2   3.020  -5.348  -5.348
   15   2HG   GLU   2          3HG       GLU   2   2.002  -3.933  -3.933
   16    H    THR   3           HN       THR   3   2.891  -3.250  -3.250
   17    HA   THR   3           HA       THR   3   4.921  -5.194  -5.194
   18    HB   THR   3           HB       THR   3   5.893  -3.355  -3.355
   19    HG1  THR   3           HG1      THR   3   4.776  -1.466  -1.466
   20   1HG2  THR   3          3HG2      THR   3   6.650  -4.073  -4.073
   21   2HG2  THR   3          1HG2      THR   3   6.380  -2.322  -2.322
   22   3HG2  THR   3          2HG2      THR   3   7.546  -2.929  -2.929
   23    H    GLU   4           HN       GLU   4   4.819  -5.783  -5.783
   24    HA   GLU   4           HA       GLU   4   2.509  -4.824  -4.824
   25   1HB   GLU   4          2HB       GLU   4   2.637  -7.537  -7.537
   26   2HB   GLU   4          3HB       GLU   4   1.974  -7.460  -7.460
   27   1HG   GLU   4          2HG       GLU   4   0.007  -6.888  -6.888
   28   2HG   GLU   4          3HG       GLU   4   0.718  -5.304  -5.304
   29    H    GLU   5           HN       GLU   5   3.838  -4.129  -4.129
   30    HA   GLU   5           HA       GLU   5   5.543  -6.184  -6.184
   31   1HB   GLU   5          2HB       GLU   5   5.765  -3.243  -3.243
   32   2HB   GLU   5          3HB       GLU   5   6.217  -3.819  -3.819
   33   1HG   GLU   5          2HG       GLU   5   7.984  -5.147  -5.147
   34   2HG   GLU   5          3HG       GLU   5   7.277  -5.286  -5.286
   35    H    TRP   6           HN       TRP   6   2.895  -6.622  -6.622
   36    HA   TRP   6           HA       TRP   6   2.120  -5.239  -5.239
   37   1HB   TRP   6          2HB       TRP   6   0.234  -6.959  -6.959
   38   2HB   TRP   6          3HB       TRP   6   0.309  -5.724  -5.724
   39    HD1  TRP   6           HD1      TRP   6   0.499  -6.581  -6.581
   40    HE1  TRP   6           HE1      TRP   6   0.605  -8.908  -8.908
   41    HE3  TRP   6           HE3      TRP   6   1.236  -9.372  -9.372
   42    HZ2  TRP   6           HZ2      TRP   6   0.976 -11.594 -11.594
   43    HZ3  TRP   6           HZ3      TRP   6   1.460 -11.839 -11.839
   44    HH2  TRP   6           HH2      TRP   6   1.341 -12.955 -12.955
   45    H    PHE   7           HN       PHE   7   4.061  -7.964  -7.964
   46    HA   PHE   7           HA       PHE   7   3.835  -9.119  -9.119
   47   1HB   PHE   7          2HB       PHE   7   3.478 -10.745 -10.745
   48   2HB   PHE   7          3HB       PHE   7   4.729 -10.040 -10.040
   49    HD1  PHE   7           HD1      PHE   7   4.355 -11.722 -11.722
   50    HD2  PHE   7           HD2      PHE   7   6.764 -11.120 -11.120
   51    HE1  PHE   7           HE1      PHE   7   5.996 -13.419 -13.419
   52    HE2  PHE   7           HE2      PHE   7   8.405 -12.818 -12.818
   53   1HZ   PHE   7           HZ       PHE   7   8.001 -13.947 -13.947
   54    H    PHE   8           HN       PHE   8   5.528  -9.002  -9.002
   55    HA   PHE   8           HA       PHE   8   7.973  -7.767  -7.767
   56   1HB   PHE   8          2HB       PHE   8   6.493  -7.900  -7.900
   57   2HB   PHE   8          3HB       PHE   8   8.191  -7.470  -7.470
   58    HD1  PHE   8           HD2      PHE   8   4.983  -6.496  -6.496
   59    HD2  PHE   8           HD1      PHE   8   8.759  -5.238  -5.238
   60    HE1  PHE   8           HE2      PHE   8   4.372  -4.109  -4.109
   61    HE2  PHE   8           HE1      PHE   8   8.148  -2.850  -2.850
   62   1HZ   PHE   8           HZ       PHE   8   5.962  -2.314  -2.314
   63    H    LYS   9           HN       LYS   9  10.047  -8.458  -8.458
   64    HA   LYS   9           HA       LYS   9  10.363 -11.216 -11.216
   65   1HB   LYS   9          2HB       LYS   9  12.028  -8.898  -8.898
   66   2HB   LYS   9          3HB       LYS   9  12.565 -10.467 -10.467
   67   1HG   LYS   9          2HG       LYS   9  13.439 -10.870 -10.870
   68   2HG   LYS   9          3HG       LYS   9  11.817 -10.868 -10.868
   69   1HD   LYS   9          2HD       LYS   9  11.936  -8.598  -8.598
   70   2HD   LYS   9          3HD       LYS   9  13.194  -8.221  -8.221
   71   1HE   LYS   9          2HE       LYS   9  14.867  -9.440  -9.440
   72   2HE   LYS   9          3HE       LYS   9  13.641 -10.095 -10.095
   73   1HZ   LYS   9          1HZ       LYS   9  13.243  -7.441  -7.441
   74   2HZ   LYS   9          2HZ       LYS   9  14.869  -7.535  -7.535
   75   3HZ   LYS   9          3HZ       LYS   9  14.085  -8.331  -8.331
   76    H    GLY  10           HN       GLY  10  11.853 -12.121 -12.121
   77   1HA   GLY  10          1HA       GLY  10   9.800 -12.897 -12.897
   78   2HA   GLY  10          2HA       GLY  10  11.513 -13.242 -13.242
   79    H    ILE  11           HN       ILE  11   9.298 -10.359 -10.359
   80    HA   ILE  11           HA       ILE  11  11.053  -9.154  -9.154
   81    HB   ILE  11           HB       ILE  11   9.554  -8.101  -8.101
   82   1HG1  ILE  11          2HG1      ILE  11  10.306  -6.983  -6.983
   83   2HG1  ILE  11          3HG1      ILE  11  11.080  -6.739  -6.739
   84   1HG2  ILE  11          3HG2      ILE  11   7.514  -9.062  -9.062
   85   2HG2  ILE  11          1HG2      ILE  11   7.691  -7.472  -7.472
   86   3HG2  ILE  11          2HG2      ILE  11   7.402  -7.575  -7.575
   87   1HD1  ILE  11          3HD1      ILE  11   8.885  -5.594  -5.594
   88   2HD1  ILE  11          1HD1      ILE  11   8.436  -5.590  -5.590
   89   3HD1  ILE  11          2HD1      ILE  11   9.886  -4.713  -4.713
   90    H    SER  12           HN       SER  12  10.373  -8.548  -8.548
   91    HA   SER  12           HA       SER  12   9.058 -10.736 -10.736
   92   1HB   SER  12          2HB       SER  12   9.738  -9.760  -9.760
   93   2HB   SER  12          3HB       SER  12  11.032  -9.398  -9.398
   94    HG   SER  12           HG       SER  12   9.944  -7.624  -7.624
   95    H    ARG  13           HN       ARG  13   7.429  -9.975  -9.975
   96    HA   ARG  13           HA       ARG  13   5.226  -8.879  -8.879
   97   1HB   ARG  13          2HB       ARG  13   4.715 -10.745 -10.745
   98   2HB   ARG  13          3HB       ARG  13   5.600 -10.063 -10.063
   99   1HG   ARG  13          2HG       ARG  13   3.385  -8.346  -8.346
  100   2HG   ARG  13          3HG       ARG  13   2.864  -9.874  -9.874
  101   1HD   ARG  13          2HD       ARG  13   4.881  -8.791  -8.791
  102   2HD   ARG  13          3HD       ARG  13   3.752  -7.500  -7.500
  103    HE   ARG  13           HE       ARG  13   2.325  -9.943  -9.943
  104   1HH1  ARG  13          1HH2      ARG  13   3.280  -7.469  -7.469
  105   2HH1  ARG  13          2HH2      ARG  13   4.106  -7.319  -7.319
  106   1HH2  ARG  13          2HH1      ARG  13   1.236 -10.141 -10.141
  107   2HH2  ARG  13          1HH1      ARG  13   1.637  -9.085  -9.085
  108    H    LYS  14           HN       LYS  14   7.594  -7.874  -7.874
  109    HA   LYS  14           HA       LYS  14   6.078  -5.606  -5.606
  110   1HB   LYS  14          2HB       LYS  14   8.776  -6.771  -6.771
  111   2HB   LYS  14          3HB       LYS  14   8.506  -5.082  -5.082
  112   1HG   LYS  14          2HG       LYS  14   6.187  -6.263  -6.263
  113   2HG   LYS  14          3HG       LYS  14   7.381  -7.509  -7.509
  114   1HD   LYS  14          2HD       LYS  14   8.596  -5.018  -5.018
  115   2HD   LYS  14          3HD       LYS  14   6.977  -4.998  -4.998
  116   1HE   LYS  14          2HE       LYS  14   7.450  -6.646  -6.646
  117   2HE   LYS  14          3HE       LYS  14   8.332  -7.608  -7.608
  118   1HZ   LYS  14          1HZ       LYS  14   9.655  -5.185  -5.185
  119   2HZ   LYS  14          2HZ       LYS  14   9.449  -6.207  -6.207
  120   3HZ   LYS  14          3HZ       LYS  14  10.241  -6.707  -6.707
  121    H    ASP  15           HN       ASP  15   8.576  -6.354  -6.354
  122    HA   ASP  15           HA       ASP  15   9.174  -3.665  -3.665
  123   1HB   ASP  15          2HB       ASP  15   9.654  -6.325  -6.325
  124   2HB   ASP  15          3HB       ASP  15   9.863  -4.893  -4.893
  125    H    ALA  16           HN       ALA  16   6.737  -6.035  -6.035
  126    HA   ALA  16           HA       ALA  16   5.933  -4.553  -4.553
  127   1HB   ALA  16          1HB       ALA  16   5.358  -7.104  -7.104
  128   2HB   ALA  16          2HB       ALA  16   3.871  -6.302  -6.302
  129   3HB   ALA  16          3HB       ALA  16   5.187  -6.639  -6.639
  130    H    GLU  17           HN       GLU  17   5.266  -4.515  -4.515
  131    HA   GLU  17           HA       GLU  17   2.789  -3.141  -3.141
  132   1HB   GLU  17          2HB       GLU  17   4.463  -4.078  -4.078
  133   2HB   GLU  17          3HB       GLU  17   3.295  -2.807  -2.807
  134   1HG   GLU  17          2HG       GLU  17   1.833  -4.629  -4.629
  135   2HG   GLU  17          3HG       GLU  17   2.845  -5.677  -5.677
  136    H    ARG  18           HN       ARG  18   6.196  -2.355  -2.355
  137    HA   ARG  18           HA       ARG  18   5.671   0.327   0.327
  138   1HB   ARG  18          2HB       ARG  18   8.056  -1.405  -1.405
  139   2HB   ARG  18          3HB       ARG  18   8.321   0.270   0.270
  140   1HG   ARG  18          2HG       ARG  18   8.603   0.754   0.754
  141   2HG   ARG  18          3HG       ARG  18   6.907   0.393   0.393
  142   1HD   ARG  18          2HD       ARG  18   7.396  -1.543  -1.543
  143   2HD   ARG  18          3HD       ARG  18   8.451  -2.087  -2.087
  144    HE   ARG  18           HE       ARG  18  10.274  -1.397  -1.397
  145   1HH1  ARG  18          2HH2      ARG  18   7.436   0.404   0.404
  146   2HH1  ARG  18          1HH2      ARG  18   8.263   1.209   1.209
  147   1HH2  ARG  18          2HH1      ARG  18  11.366  -0.335  -0.335
  148   2HH2  ARG  18          1HH1      ARG  18  10.513   0.787   0.787
  149    H    GLN  19           HN       GLN  19   6.059  -1.541  -1.541
  150    HA   GLN  19           HA       GLN  19   6.713   0.739   0.739
  151   1HB   GLN  19          2HB       GLN  19   6.085  -2.169  -2.169
  152   2HB   GLN  19          3HB       GLN  19   6.244  -0.995  -0.995
  153   1HG   GLN  19          2HG       GLN  19   8.494  -0.434  -0.434
  154   2HG   GLN  19          3HG       GLN  19   8.338  -2.161  -2.161
  155   1HE2  GLN  19          2HE2      GLN  19   8.925  -3.128  -3.128
  156   2HE2  GLN  19          1HE2      GLN  19   8.130  -3.544  -3.544
  157    H    LEU  20           HN       LEU  20   3.826  -0.986  -0.986
  158    HA   LEU  20           HA       LEU  20   2.153   0.216   0.216
  159   1HB   LEU  20          2HB       LEU  20   1.820  -1.737  -1.737
  160   2HB   LEU  20          3HB       LEU  20   0.404  -0.853  -0.853
  161    HG   LEU  20           HG       LEU  20   2.157  -2.372  -2.372
  162   1HD1  LEU  20          2HD1      LEU  20   0.335  -3.440  -3.440
  163   2HD1  LEU  20          3HD1      LEU  20  -0.081  -3.943  -3.943
  164   3HD1  LEU  20          1HD1      LEU  20   1.547  -4.264  -4.264
  165   1HD2  LEU  20          2HD2      LEU  20  -0.356  -0.850  -0.850
  166   2HD2  LEU  20          3HD2      LEU  20   0.835  -1.247  -1.247
  167   3HD2  LEU  20          1HD2      LEU  20  -0.402  -2.440  -2.440
  168    H    LEU  21           HN       LEU  21   2.914   0.607   0.607
  169    HA   LEU  21           HA       LEU  21   0.994   2.676   2.676
  170   1HB   LEU  21          2HB       LEU  21   3.187   1.448   1.448
  171   2HB   LEU  21          3HB       LEU  21   2.556   3.007   3.007
  172    HG   LEU  21           HG       LEU  21   0.751   0.630   0.630
  173   1HD1  LEU  21          2HD1      LEU  21   2.679   1.000   1.000
  174   2HD1  LEU  21          3HD1      LEU  21   1.015   0.955   0.955
  175   3HD1  LEU  21          1HD1      LEU  21   1.626  -0.389  -0.389
  176   1HD2  LEU  21          1HD2      LEU  21  -0.009   3.144   3.144
  177   2HD2  LEU  21          2HD2      LEU  21  -0.923   1.844   1.844
  178   3HD2  LEU  21          3HD2      LEU  21   0.203   2.852   2.852
  179    H    ALA  22           HN       ALA  22   4.063   2.471   2.471
  180    HA   ALA  22           HA       ALA  22   5.236   4.884   4.884
  181   1HB   ALA  22          1HB       ALA  22   5.609   2.765   2.765
  182   2HB   ALA  22          2HB       ALA  22   5.416   4.197   4.197
  183   3HB   ALA  22          3HB       ALA  22   6.677   4.173   4.173
  184    HA   PRO  23           HA       PRO  23   2.654   7.869   7.869
  185   1HB   PRO  23          2HB       PRO  23   4.411   9.896   9.896
  186   2HB   PRO  23          3HB       PRO  23   3.762   9.579   9.579
  187   1HG   PRO  23          2HG       PRO  23   6.462   8.996   8.996
  188   2HG   PRO  23          3HG       PRO  23   5.930   9.085   9.085
  189   1HD   PRO  23          2HD       PRO  23   6.451   6.703   6.703
  190   2HD   PRO  23          3HD       PRO  23   5.808   6.792   6.792
  191    H    GLY  24           HN       GLY  24   4.717   6.102   6.102
  192   1HA   GLY  24          1HA       GLY  24   4.448   7.569   7.569
  193   2HA   GLY  24          2HA       GLY  24   5.187   5.999   5.999
  194    H    ASN  25           HN       ASN  25   2.557   5.281   5.281
  195    HA   ASN  25           HA       ASN  25   0.984   4.767   4.767
  196   1HB   ASN  25          2HB       ASN  25   1.296   3.021   3.021
  197   2HB   ASN  25          3HB       ASN  25   0.231   2.651   2.651
  198   1HD2  ASN  25          1HD2      ASN  25   3.501   2.836   2.836
  199   2HD2  ASN  25          2HD2      ASN  25   4.280   2.017   2.017
  200    H    MET  26           HN       MET  26  -1.427   4.042   4.042
  201    HA   MET  26           HA       MET  26  -2.163   5.448   5.448
  202   1HB   MET  26          2HB       MET  26  -3.704   7.001   7.001
  203   2HB   MET  26          3HB       MET  26  -2.139   7.196   7.196
  204   1HG   MET  26          2HG       MET  26  -3.058   5.322   5.322
  205   2HG   MET  26          3HG       MET  26  -4.623   5.850   5.850
  206   1HE   MET  26          2HE       MET  26  -5.665   7.998   7.998
  207   2HE   MET  26          3HE       MET  26  -4.410   9.008   9.008
  208   3HE   MET  26          1HE       MET  26  -5.025   9.417   9.417
  209    H    LEU  27           HN       LEU  27  -4.526   5.094   5.094
  210    HA   LEU  27           HA       LEU  27  -5.250   2.518   2.518
  211   1HB   LEU  27          2HB       LEU  27  -6.648   5.083   5.083
  212   2HB   LEU  27          3HB       LEU  27  -7.692   3.742   3.742
  213    HG   LEU  27           HG       LEU  27  -5.790   3.076   3.076
  214   1HD1  LEU  27          3HD1      LEU  27  -6.495   5.632   5.632
  215   2HD1  LEU  27          1HD1      LEU  27  -7.954   4.894   4.894
  216   3HD1  LEU  27          2HD1      LEU  27  -6.355   4.545   4.545
  217   1HD2  LEU  27          2HD2      LEU  27  -7.845   1.790   1.790
  218   2HD2  LEU  27          3HD2      LEU  27  -7.619   1.949   1.949
  219   3HD2  LEU  27          1HD2      LEU  27  -8.803   2.977   2.977
  220    H    GLY  28           HN       GLY  28  -5.693   1.027   1.027
  221   1HA   GLY  28          1HA       GLY  28  -7.288   0.537   0.537
  222   2HA   GLY  28          2HA       GLY  28  -6.741   2.014   2.014
  223    H    SER  29           HN       SER  29  -3.906   1.284   1.284
  224    HA   SER  29           HA       SER  29  -3.061  -0.049  -0.049
  225   1HB   SER  29          2HB       SER  29  -1.695   1.209   1.209
  226   2HB   SER  29          3HB       SER  29  -0.771   0.139   0.139
  227    HG   SER  29           HG       SER  29  -2.285   2.412   2.412
  228    H    PHE  30           HN       PHE  30  -1.989  -2.125  -2.125
  229    HA   PHE  30           HA       PHE  30  -2.129  -3.712  -3.712
  230   1HB   PHE  30          2HB       PHE  30  -3.414  -5.404  -5.404
  231   2HB   PHE  30          3HB       PHE  30  -4.162  -3.917  -3.917
  232    HD1  PHE  30           HD2      PHE  30  -3.334  -2.948  -2.948
  233    HD2  PHE  30           HD1      PHE  30  -2.598  -6.940  -6.940
  234    HE1  PHE  30           HE2      PHE  30  -2.912  -3.610  -3.610
  235    HE2  PHE  30           HE1      PHE  30  -2.176  -7.602  -7.602
  236   1HZ   PHE  30           HZ       PHE  30  -2.338  -5.929  -5.929
  237    H    MET  31           HN       MET  31  -0.830  -5.756  -5.756
  238    HA   MET  31           HA       MET  31   1.026  -5.821  -5.821
  239   1HB   MET  31          2HB       MET  31   3.017  -5.688  -5.688
  240   2HB   MET  31          3HB       MET  31   2.058  -4.232  -4.232
  241   1HG   MET  31          2HG       MET  31   1.461  -4.719  -4.719
  242   2HG   MET  31          3HG       MET  31   1.296  -6.435  -6.435
  243   1HE   MET  31          1HE       MET  31   3.507  -3.526  -3.526
  244   2HE   MET  31          2HE       MET  31   4.791  -3.933  -3.933
  245   3HE   MET  31          3HE       MET  31   5.007  -4.300  -4.300
  246    H    ILE  32           HN       ILE  32   2.233  -7.862  -7.862
  247    HA   ILE  32           HA       ILE  32   1.144  -9.895  -9.895
  248    HB   ILE  32           HB       ILE  32   1.489  -9.985  -9.985
  249   1HG1  ILE  32          2HG1      ILE  32  -0.932 -10.727 -10.727
  250   2HG1  ILE  32          3HG1      ILE  32  -0.634  -9.079  -9.079
  251   1HG2  ILE  32          3HG2      ILE  32   1.624 -12.179 -12.179
  252   2HG2  ILE  32          1HG2      ILE  32   0.532 -12.444 -12.444
  253   3HG2  ILE  32          2HG2      ILE  32   2.252 -12.080 -12.080
  254   1HD1  ILE  32          3HD1      ILE  32  -0.209 -10.501 -10.501
  255   2HD1  ILE  32          1HD1      ILE  32  -1.532 -11.407 -11.407
  256   3HD1  ILE  32          2HD1      ILE  32  -1.720  -9.669  -9.669
  257    H    ARG  33           HN       ARG  33   2.587 -11.553 -11.553
  258    HA   ARG  33           HA       ARG  33   5.263 -11.383 -11.383
  259   1HB   ARG  33          2HB       ARG  33   6.292 -11.124 -11.124
  260   2HB   ARG  33          3HB       ARG  33   5.251  -9.757  -9.757
  261   1HG   ARG  33          2HG       ARG  33   3.538 -11.655 -11.655
  262   2HG   ARG  33          3HG       ARG  33   5.030 -11.775 -11.775
  263   1HD   ARG  33          2HD       ARG  33   4.888  -9.086  -9.086
  264   2HD   ARG  33          3HD       ARG  33   3.182  -9.409  -9.409
  265    HE   ARG  33           HE       ARG  33   4.752  -9.952  -9.952
  266   1HH1  ARG  33          2HH2      ARG  33   1.763 -10.566 -10.566
  267   2HH1  ARG  33          1HH2      ARG  33   0.883 -11.047 -11.047
  268   1HH2  ARG  33          2HH1      ARG  33   3.592 -10.586 -10.586
  269   2HH2  ARG  33          1HH1      ARG  33   1.930 -11.058 -11.058
  270    H    ASP  34           HN       ASP  34   6.537 -13.331 -13.331
  271    HA   ASP  34           HA       ASP  34   4.778 -15.538 -15.538
  272   1HB   ASP  34          2HB       ASP  34   6.482 -15.403 -15.403
  273   2HB   ASP  34          3HB       ASP  34   7.724 -15.667 -15.667
  274    H    SER  35           HN       SER  35   5.369 -17.153 -17.153
  275    HA   SER  35           HA       SER  35   6.473 -15.954 -15.954
  276   1HB   SER  35          2HB       SER  35   4.890 -17.526 -17.526
  277   2HB   SER  35          3HB       SER  35   5.285 -18.597 -18.597
  278    HG   SER  35           HG       SER  35   7.135 -19.340 -19.340
  279    H    GLU  36           HN       GLU  36   8.593 -15.896 -15.896
  280    HA   GLU  36           HA       GLU  36  10.522 -17.183 -17.183
  281   1HB   GLU  36          2HB       GLU  36  12.107 -15.789 -15.789
  282   2HB   GLU  36          3HB       GLU  36  10.650 -14.816 -14.816
  283   1HG   GLU  36          2HG       GLU  36  10.234 -15.819 -15.819
  284   2HG   GLU  36          3HG       GLU  36  11.865 -16.453 -16.453
  285    H    THR  37           HN       THR  37   8.763 -17.919 -17.919
  286    HA   THR  37           HA       THR  37  10.810 -19.788 -19.788
  287    HB   THR  37           HB       THR  37   9.446 -19.852 -19.852
  288    HG1  THR  37           HG1      THR  37   7.280 -19.591 -19.591
  289   1HG2  THR  37          1HG2      THR  37  10.682 -17.604 -17.604
  290   2HG2  THR  37          2HG2      THR  37   9.072 -16.991 -16.991
  291   3HG2  THR  37          3HG2      THR  37   9.381 -17.552 -17.552
  292    H    THR  38           HN       THR  38   7.226 -19.906 -19.906
  293    HA   THR  38           HA       THR  38   7.539 -22.743 -22.743
  294    HB   THR  38           HB       THR  38   5.150 -20.902 -20.902
  295    HG1  THR  38           HG1      THR  38   6.621 -23.074 -23.074
  296   1HG2  THR  38          3HG2      THR  38   5.318 -23.887 -23.887
  297   2HG2  THR  38          1HG2      THR  38   3.954 -23.177 -23.177
  298   3HG2  THR  38          2HG2      THR  38   4.280 -22.669 -22.669
  299    H    LYS  39           HN       LYS  39   8.824 -22.126 -22.126
  300    HA   LYS  39           HA       LYS  39   7.798 -20.740 -20.740
  301   1HB   LYS  39          2HB       LYS  39   9.262 -22.227 -22.227
  302   2HB   LYS  39          3HB       LYS  39  10.058 -21.463 -21.463
  303   1HG   LYS  39          2HG       LYS  39  10.579 -23.472 -23.472
  304   2HG   LYS  39          3HG       LYS  39   8.912 -24.006 -24.006
  305   1HD   LYS  39          2HD       LYS  39   9.213 -25.143 -25.143
  306   2HD   LYS  39          3HD       LYS  39  10.315 -23.944 -23.944
  307   1HE   LYS  39          2HE       LYS  39  12.174 -24.820 -24.820
  308   2HE   LYS  39          3HE       LYS  39  11.113 -25.839 -25.839
  309   1HZ   LYS  39          1HZ       LYS  39  10.729 -26.406 -26.406
  310   2HZ   LYS  39          2HZ       LYS  39  12.332 -26.456 -26.456
  311   3HZ   LYS  39          3HZ       LYS  39  11.305 -27.388 -27.388
  312    H    GLY  40           HN       GLY  40   6.425 -21.165 -21.165
  313   1HA   GLY  40          1HA       GLY  40   5.179 -22.708 -22.708
  314   2HA   GLY  40          2HA       GLY  40   4.977 -23.734 -23.734
  315    H    SER  41           HN       SER  41   4.624 -20.958 -20.958
  316    HA   SER  41           HA       SER  41   1.805 -20.743 -20.743
  317   1HB   SER  41          2HB       SER  41   3.191 -20.461 -20.461
  318   2HB   SER  41          3HB       SER  41   1.532 -19.964 -19.964
  319    HG   SER  41           HG       SER  41   2.410 -22.419 -22.419
  320    H    TYR  42           HN       TYR  42   0.829 -18.564 -18.564
  321    HA   TYR  42           HA       TYR  42   2.860 -16.438 -16.438
  322   1HB   TYR  42          2HB       TYR  42   0.356 -17.192 -17.192
  323   2HB   TYR  42          3HB       TYR  42   0.787 -15.496 -15.496
  324    HD1  TYR  42           HD2      TYR  42   1.966 -18.822 -18.822
  325    HD2  TYR  42           HD1      TYR  42   2.561 -14.588 -14.588
  326    HE1  TYR  42           HE2      TYR  42   3.591 -19.116 -19.116
  327    HE2  TYR  42           HE1      TYR  42   4.183 -14.897 -14.897
  328    HH   TYR  42           HH       TYR  42   5.382 -17.987 -17.987
  329    H    SER  43           HN       SER  43   1.920 -14.211 -14.211
  330    HA   SER  43           HA       SER  43  -0.387 -14.346 -14.346
  331   1HB   SER  43          2HB       SER  43   2.171 -13.003 -13.003
  332   2HB   SER  43          3HB       SER  43   0.707 -13.283 -13.283
  333    HG   SER  43           HG       SER  43   2.816 -14.849 -14.849
  334    H    LEU  44           HN       LEU  44  -1.729 -12.672 -12.672
  335    HA   LEU  44           HA       LEU  44  -0.576 -10.516 -10.516
  336   1HB   LEU  44          2HB       LEU  44  -2.414 -11.417 -11.417
  337   2HB   LEU  44          3HB       LEU  44  -3.316 -11.637 -11.637
  338    HG   LEU  44           HG       LEU  44  -3.502  -9.109  -9.109
  339   1HD1  LEU  44          1HD1      LEU  44  -1.795  -9.309  -9.309
  340   2HD1  LEU  44          2HD1      LEU  44  -3.300  -8.450  -8.450
  341   3HD1  LEU  44          3HD1      LEU  44  -2.280  -7.876  -7.876
  342   1HD2  LEU  44          1HD2      LEU  44  -4.854 -10.907 -10.907
  343   2HD2  LEU  44          2HD2      LEU  44  -5.515  -9.962  -9.962
  344   3HD2  LEU  44          3HD2      LEU  44  -5.142  -9.161  -9.161
  345    H    SER  45           HN       SER  45  -0.916  -8.271  -8.271
  346    HA   SER  45           HA       SER  45  -1.830  -7.803  -7.803
  347   1HB   SER  45          2HB       SER  45   0.784  -6.637  -6.637
  348   2HB   SER  45          3HB       SER  45   0.124  -6.460  -6.460
  349    HG   SER  45           HG       SER  45   0.231  -8.996  -8.996
  350    H    VAL  46           HN       VAL  46  -3.332  -6.174  -6.174
  351    HA   VAL  46           HA       VAL  46  -2.960  -4.140  -4.140
  352    HB   VAL  46           HB       VAL  46  -5.628  -5.166  -5.166
  353   1HG1  VAL  46          3HG1      VAL  46  -5.626  -2.946  -2.946
  354   2HG1  VAL  46          1HG1      VAL  46  -4.794  -3.604  -3.604
  355   3HG1  VAL  46          2HG1      VAL  46  -6.448  -4.134  -4.134
  356   1HG2  VAL  46          1HG2      VAL  46  -3.731  -6.415  -6.415
  357   2HG2  VAL  46          2HG2      VAL  46  -5.156  -7.097  -7.097
  358   3HG2  VAL  46          3HG2      VAL  46  -5.355  -6.159  -6.159
  359    H    ARG  47           HN       ARG  47  -3.880  -2.006  -2.006
  360    HA   ARG  47           HA       ARG  47  -3.440  -1.529  -1.529
  361   1HB   ARG  47          2HB       ARG  47  -2.512  -0.062  -0.062
  362   2HB   ARG  47          3HB       ARG  47  -4.149   0.467   0.467
  363   1HG   ARG  47          2HG       ARG  47  -4.283   1.752   1.752
  364   2HG   ARG  47          3HG       ARG  47  -3.269   0.666   0.666
  365   1HD   ARG  47          2HD       ARG  47  -1.295   1.685   1.685
  366   2HD   ARG  47          3HD       ARG  47  -1.922   2.089   2.089
  367    HE   ARG  47           HE       ARG  47  -3.319   3.585   3.585
  368   1HH1  ARG  47          2HH2      ARG  47  -0.276   3.460   3.460
  369   2HH1  ARG  47          1HH2      ARG  47   0.046   5.153   5.153
  370   1HH2  ARG  47          2HH1      ARG  47  -2.895   5.818   5.818
  371   2HH2  ARG  47          1HH1      ARG  47  -1.454   6.502   6.502
  372    H    ASP  48           HN       ASP  48  -5.005  -0.593  -0.593
  373    HA   ASP  48           HA       ASP  48  -7.649  -0.173  -0.173
  374   1HB   ASP  48          2HB       ASP  48  -7.735  -2.543  -2.543
  375   2HB   ASP  48          3HB       ASP  48  -6.966  -2.241  -2.241
  376    H    TYR  49           HN       TYR  49  -9.073   0.857   0.857
  377    HA   TYR  49           HA       TYR  49  -7.475   1.979   1.979
  378   1HB   TYR  49          2HB       TYR  49  -7.754   3.469   3.469
  379   2HB   TYR  49          3HB       TYR  49  -9.476   3.457   3.457
  380    HD1  TYR  49           HD2      TYR  49 -10.244   4.340   4.340
  381    HD2  TYR  49           HD1      TYR  49  -6.385   5.107   5.107
  382    HE1  TYR  49           HE2      TYR  49  -9.962   6.342   6.342
  383    HE2  TYR  49           HE1      TYR  49  -6.116   7.107   7.107
  384    HH   TYR  49           HH       TYR  49  -7.390   8.598   8.598
  385    H    ASP  50           HN       ASP  50  -8.727   2.654   2.654
  386    HA   ASP  50           HA       ASP  50 -11.465   1.662   1.662
  387   1HB   ASP  50          2HB       ASP  50  -9.225   1.053   1.053
  388   2HB   ASP  50          3HB       ASP  50 -10.786   1.331   1.331
  389    HA   PRO  51           HA       PRO  51 -12.240   5.604   5.604
  390   1HB   PRO  51          2HB       PRO  51 -14.796   5.254   5.254
  391   2HB   PRO  51          3HB       PRO  51 -14.410   5.612   5.612
  392   1HG   PRO  51          2HG       PRO  51 -15.245   3.042   3.042
  393   2HG   PRO  51          3HG       PRO  51 -15.267   3.526   3.526
  394   1HD   PRO  51          2HD       PRO  51 -13.364   1.790   1.790
  395   2HD   PRO  51          3HD       PRO  51 -13.322   2.366   2.366
  396    H    ARG  52           HN       ARG  52 -11.871   2.833   2.833
  397    HA   ARG  52           HA       ARG  52 -12.201   4.325   4.325
  398   1HB   ARG  52          2HB       ARG  52 -12.178   1.394   1.394
  399   2HB   ARG  52          3HB       ARG  52 -11.651   1.829   1.829
  400   1HG   ARG  52          2HG       ARG  52 -13.980   1.491   1.491
  401   2HG   ARG  52          3HG       ARG  52 -13.839   3.235   3.235
  402   1HD   ARG  52          2HD       ARG  52 -14.198   2.855   2.855
  403   2HD   ARG  52          3HD       ARG  52 -14.808   1.283   1.283
  404    HE   ARG  52           HE       ARG  52 -16.074   3.893   3.893
  405   1HH1  ARG  52          2HH2      ARG  52 -15.990   0.466   0.466
  406   2HH1  ARG  52          1HH2      ARG  52 -17.599   0.444   0.444
  407   1HH2  ARG  52          2HH1      ARG  52 -18.197   3.865   3.865
  408   2HH2  ARG  52          1HH1      ARG  52 -18.863   2.390   2.390
  409    H    GLN  53           HN       GLN  53  -9.914   1.967   1.967
  410    HA   GLN  53           HA       GLN  53  -7.834   2.762   2.762
  411   1HB   GLN  53          2HB       GLN  53  -8.017   0.828   0.828
  412   2HB   GLN  53          3HB       GLN  53  -6.474   1.196   1.196
  413   1HG   GLN  53          2HG       GLN  53  -8.510   0.627   0.627
  414   2HG   GLN  53          3HG       GLN  53  -8.385  -0.694  -0.694
  415   1HE2  GLN  53          2HE2      GLN  53  -5.619  -0.129  -0.129
  416   2HE2  GLN  53          1HE2      GLN  53  -7.135   0.700   0.700
  417    H    GLY  54           HN       GLY  54  -8.258   2.814   2.814
  418   1HA   GLY  54          1HA       GLY  54  -7.907   5.130   5.130
  419   2HA   GLY  54          2HA       GLY  54  -6.373   5.090   5.090
  420    H    ASP  55           HN       ASP  55  -4.713   4.748   4.748
  421    HA   ASP  55           HA       ASP  55  -5.189   3.473   3.473
  422   1HB   ASP  55          2HB       ASP  55  -2.670   4.396   4.396
  423   2HB   ASP  55          3HB       ASP  55  -2.602   3.637   3.637
  424    H    THR  56           HN       THR  56  -4.797   1.289   1.289
  425    HA   THR  56           HA       THR  56  -3.126  -0.325  -0.325
  426    HB   THR  56           HB       THR  56  -4.865  -1.827  -1.827
  427    HG1  THR  56           HG1      THR  56  -6.475  -0.295  -0.295
  428   1HG2  THR  56          3HG2      THR  56  -5.125   0.438   0.438
  429   2HG2  THR  56          1HG2      THR  56  -6.298   0.877   0.877
  430   3HG2  THR  56          2HG2      THR  56  -6.651  -0.466  -0.466
  431    H    VAL  57           HN       VAL  57  -3.011  -2.652  -2.652
  432    HA   VAL  57           HA       VAL  57  -3.334  -2.557  -2.557
  433    HB   VAL  57           HB       VAL  57  -0.829  -3.507  -3.507
  434   1HG1  VAL  57          2HG1      VAL  57  -1.577  -4.405  -4.405
  435   2HG1  VAL  57          3HG1      VAL  57  -1.118  -2.793  -2.793
  436   3HG1  VAL  57          1HG1      VAL  57   0.095  -3.826  -3.826
  437   1HG2  VAL  57          3HG2      VAL  57  -1.654  -0.794  -0.794
  438   2HG2  VAL  57          1HG2      VAL  57  -0.395  -1.318  -1.318
  439   3HG2  VAL  57          2HG2      VAL  57  -0.059  -1.303  -1.303
  440    H    LYS  58           HN       LYS  58  -4.358  -4.349  -4.349
  441    HA   LYS  58           HA       LYS  58  -4.755  -6.507  -6.507
  442   1HB   LYS  58          2HB       LYS  58  -6.068  -5.703  -5.703
  443   2HB   LYS  58          3HB       LYS  58  -6.351  -7.276  -7.276
  444   1HG   LYS  58          2HG       LYS  58  -6.611  -4.826  -4.826
  445   2HG   LYS  58          3HG       LYS  58  -7.896  -5.177  -5.177
  446   1HD   LYS  58          2HD       LYS  58  -6.887  -7.435  -7.435
  447   2HD   LYS  58          3HD       LYS  58  -7.892  -6.212  -6.212
  448   1HE   LYS  58          2HE       LYS  58  -9.626  -6.583  -6.583
  449   2HE   LYS  58          3HE       LYS  58  -8.634  -7.872  -7.872
  450   1HZ   LYS  58          1HZ       LYS  58  -8.961  -8.257  -8.257
  451   2HZ   LYS  58          2HZ       LYS  58 -10.432  -8.032  -8.032
  452   3HZ   LYS  58          3HZ       LYS  58  -9.454  -9.215  -9.215
  453    H    HIS  59           HN       HIS  59  -4.422  -8.772  -8.772
  454    HA   HIS  59           HA       HIS  59  -2.573  -9.116  -9.116
  455   1HB   HIS  59          2HB       HIS  59  -1.908 -10.410 -10.410
  456   2HB   HIS  59          3HB       HIS  59  -0.876 -10.109 -10.109
  457    HD1  HIS  59           HD1      HIS  59  -1.009  -7.146  -7.146
  458    HD2  HIS  59           HD2      HIS  59  -0.992  -8.828  -8.828
  459    HE1  HIS  59           HE1      HIS  59  -0.187  -5.317  -5.317
  460    H    TYR  60           HN       TYR  60  -3.314 -10.751 -10.751
  461    HA   TYR  60           HA       TYR  60  -5.052 -12.730 -12.730
  462   1HB   TYR  60          2HB       TYR  60  -4.718 -11.974 -11.974
  463   2HB   TYR  60          3HB       TYR  60  -6.044 -12.888 -12.888
  464    HD1  TYR  60           HD2      TYR  60  -4.477  -9.506  -9.506
  465    HD2  TYR  60           HD1      TYR  60  -7.989 -11.799 -11.799
  466    HE1  TYR  60           HE2      TYR  60  -5.817  -7.364  -7.364
  467    HE2  TYR  60           HE1      TYR  60  -9.316  -9.649  -9.649
  468    HH   TYR  60           HH       TYR  60  -7.708  -6.498  -6.498
  469    H    LYS  61           HN       LYS  61  -4.823 -14.970 -14.970
  470    HA   LYS  61           HA       LYS  61  -2.105 -15.588 -15.588
  471   1HB   LYS  61          2HB       LYS  61  -4.095 -16.860 -16.860
  472   2HB   LYS  61          3HB       LYS  61  -3.065 -17.941 -17.941
  473   1HG   LYS  61          2HG       LYS  61  -1.860 -15.573 -15.573
  474   2HG   LYS  61          3HG       LYS  61  -2.241 -17.045 -17.045
  475   1HD   LYS  61          2HD       LYS  61  -0.916 -18.199 -18.199
  476   2HD   LYS  61          3HD       LYS  61  -0.202 -16.607 -16.607
  477   1HE   LYS  61          2HE       LYS  61  -0.331 -17.761 -17.761
  478   2HE   LYS  61          3HE       LYS  61   0.801 -18.507 -18.507
  479   1HZ   LYS  61          1HZ       LYS  61   1.565 -16.177 -16.177
  480   2HZ   LYS  61          2HZ       LYS  61   0.714 -15.706 -15.706
  481   3HZ   LYS  61          3HZ       LYS  61   1.940 -16.773 -16.773
  482    H    ILE  62           HN       ILE  62  -1.686 -16.504 -16.504
  483    HA   ILE  62           HA       ILE  62  -4.037 -17.282 -17.282
  484    HB   ILE  62           HB       ILE  62  -1.328 -16.216 -16.216
  485   1HG1  ILE  62          2HG1      ILE  62  -3.958 -15.094 -15.094
  486   2HG1  ILE  62          3HG1      ILE  62  -3.431 -14.784 -14.784
  487   1HG2  ILE  62          2HG2      ILE  62  -3.472 -17.403 -17.403
  488   2HG2  ILE  62          3HG2      ILE  62  -2.092 -16.436 -16.436
  489   3HG2  ILE  62          1HG2      ILE  62  -1.811 -17.997 -17.997
  490   1HD1  ILE  62          2HD1      ILE  62  -1.308 -14.410 -14.410
  491   2HD1  ILE  62          3HD1      ILE  62  -2.678 -13.280 -13.280
  492   3HD1  ILE  62          1HD1      ILE  62  -1.744 -13.383 -13.383
  493    H    ARG  63           HN       ARG  63  -4.373 -19.438 -19.438
  494    HA   ARG  63           HA       ARG  63  -2.057 -21.126 -21.126
  495   1HB   ARG  63          2HB       ARG  63  -5.002 -21.398 -21.398
  496   2HB   ARG  63          3HB       ARG  63  -4.140 -22.871 -22.871
  497   1HG   ARG  63          2HG       ARG  63  -2.782 -21.081 -21.081
  498   2HG   ARG  63          3HG       ARG  63  -4.271 -21.823 -21.823
  499   1HD   ARG  63          2HD       ARG  63  -2.787 -23.873 -23.873
  500   2HD   ARG  63          3HD       ARG  63  -1.652 -23.038 -23.038
  501    HE   ARG  63           HE       ARG  63  -4.113 -23.558 -23.558
  502   1HH1  ARG  63          1HH2      ARG  63  -1.234 -26.384 -26.384
  503   2HH1  ARG  63          2HH2      ARG  63  -1.195 -25.144 -25.144
  504   1HH2  ARG  63          2HH1      ARG  63  -4.165 -25.194 -25.194
  505   2HH2  ARG  63          1HH1      ARG  63  -2.934 -26.413 -26.413
  506    H    THR  64           HN       THR  64  -2.082 -23.265 -23.265
  507    HA   THR  64           HA       THR  64  -3.187 -22.760 -22.760
  508    HB   THR  64           HB       THR  64  -1.150 -23.644 -23.644
  509    HG1  THR  64           HG1      THR  64  -0.825 -24.515 -24.515
  510   1HG2  THR  64          2HG2      THR  64  -0.924 -21.457 -21.457
  511   2HG2  THR  64          3HG2      THR  64   0.175 -22.585 -22.585
  512   3HG2  THR  64          1HG2      THR  64   0.459 -22.158 -22.158
  513    H    LEU  65           HN       LEU  65  -3.847 -24.629 -24.629
  514    HA   LEU  65           HA       LEU  65  -4.957 -26.646 -26.646
  515   1HB   LEU  65          2HB       LEU  65  -5.576 -25.918 -25.918
  516   2HB   LEU  65          3HB       LEU  65  -6.352 -27.213 -27.213
  517    HG   LEU  65           HG       LEU  65  -6.414 -24.356 -24.356
  518   1HD1  LEU  65          3HD1      LEU  65  -7.300 -24.395 -24.395
  519   2HD1  LEU  65          1HD1      LEU  65  -8.439 -25.680 -25.680
  520   3HD1  LEU  65          2HD1      LEU  65  -8.569 -24.065 -24.065
  521   1HD2  LEU  65          2HD2      LEU  65  -7.526 -26.912 -26.912
  522   2HD2  LEU  65          3HD2      LEU  65  -7.315 -25.379 -25.379
  523   3HD2  LEU  65          1HD2      LEU  65  -8.749 -25.627 -25.627
  524    H    ASP  66           HN       ASP  66  -4.670 -28.907 -28.907
  525    HA   ASP  66           HA       ASP  66  -2.159 -29.695 -29.695
  526   1HB   ASP  66          2HB       ASP  66  -4.842 -31.020 -31.020
  527   2HB   ASP  66          3HB       ASP  66  -3.561 -31.923 -31.923
  528    H    ASN  67           HN       ASN  67  -4.974 -29.453 -29.453
  529    HA   ASN  67           HA       ASN  67  -3.066 -29.572 -29.572
  530   1HB   ASN  67          2HB       ASN  67  -5.470 -31.326 -31.326
  531   2HB   ASN  67          3HB       ASN  67  -5.236 -30.757 -30.757
  532   1HD2  ASN  67          2HD2      ASN  67  -3.301 -33.967 -33.967
  533   2HD2  ASN  67          1HD2      ASN  67  -4.807 -33.332 -33.332
  534    H    GLY  68           HN       GLY  68  -3.676 -27.128 -27.128
  535   1HA   GLY  68          1HA       GLY  68  -5.742 -26.274 -26.274
  536   2HA   GLY  68          2HA       GLY  68  -5.972 -25.834 -25.834
  537    H    GLY  69           HN       GLY  69  -5.234 -23.831 -23.831
  538   1HA   GLY  69          1HA       GLY  69  -2.667 -22.951 -22.951
  539   2HA   GLY  69          2HA       GLY  69  -4.084 -21.963 -21.963
  540    H    PHE  70           HN       PHE  70  -4.886 -20.607 -20.607
  541    HA   PHE  70           HA       PHE  70  -3.906 -21.007 -21.007
  542   1HB   PHE  70          2HB       PHE  70  -3.772 -18.261 -18.261
  543   2HB   PHE  70          3HB       PHE  70  -2.856 -18.841 -18.841
  544    HD1  PHE  70           HD2      PHE  70  -1.019 -20.554 -20.554
  545    HD2  PHE  70           HD1      PHE  70  -2.873 -18.364 -18.364
  546    HE1  PHE  70           HE2      PHE  70   0.924 -21.060 -21.060
  547    HE2  PHE  70           HE1      PHE  70  -0.930 -18.870 -18.870
  548   1HZ   PHE  70           HZ       PHE  70   0.945 -20.211 -20.211
  549    H    TYR  71           HN       TYR  71  -5.429 -20.448 -20.448
  550    HA   TYR  71           HA       TYR  71  -7.640 -18.745 -18.745
  551   1HB   TYR  71          2HB       TYR  71  -9.192 -20.412 -20.412
  552   2HB   TYR  71          3HB       TYR  71  -8.040 -21.329 -21.329
  553    HD1  TYR  71           HD1      TYR  71  -6.257 -22.660 -22.660
  554    HD2  TYR  71           HD2      TYR  71  -9.351 -20.688 -20.688
  555    HE1  TYR  71           HE1      TYR  71  -5.738 -24.098 -24.098
  556    HE2  TYR  71           HE2      TYR  71  -8.822 -22.133 -22.133
  557    HH   TYR  71           HH       TYR  71  -6.406 -24.711 -24.711
  558    H    ILE  72           HN       ILE  72  -8.746 -17.610 -17.610
  559    HA   ILE  72           HA       ILE  72  -7.140 -17.523 -17.523
  560    HB   ILE  72           HB       ILE  72  -8.404 -15.403 -15.403
  561   1HG1  ILE  72          2HG1      ILE  72  -5.791 -15.527 -15.527
  562   2HG1  ILE  72          3HG1      ILE  72  -5.982 -15.950 -15.950
  563   1HG2  ILE  72          3HG2      ILE  72  -9.494 -15.119 -15.119
  564   2HG2  ILE  72          1HG2      ILE  72  -7.912 -15.137 -15.137
  565   3HG2  ILE  72          2HG2      ILE  72  -8.324 -13.813 -13.813
  566   1HD1  ILE  72          3HD1      ILE  72  -7.218 -13.382 -13.382
  567   2HD1  ILE  72          1HD1      ILE  72  -5.619 -13.338 -13.338
  568   3HD1  ILE  72          2HD1      ILE  72  -5.758 -13.773 -13.773
  569    H    SER  73           HN       SER  73 -10.437 -17.384 -17.384
  570    HA   SER  73           HA       SER  73 -11.423 -18.109 -18.109
  571   1HB   SER  73          2HB       SER  73 -12.107 -15.809 -15.809
  572   2HB   SER  73          3HB       SER  73 -13.059 -16.702 -16.702
  573    HG   SER  73           HG       SER  73 -13.434 -16.423 -16.423
  574    HA   PRO  74           HA       PRO  74 -12.949 -21.671 -21.671
  575   1HB   PRO  74          2HB       PRO  74 -14.805 -22.518 -22.518
  576   2HB   PRO  74          3HB       PRO  74 -13.087 -22.815 -22.815
  577   1HG   PRO  74          2HG       PRO  74 -14.787 -20.868 -20.868
  578   2HG   PRO  74          3HG       PRO  74 -13.203 -21.475 -21.475
  579   1HD   PRO  74          2HD       PRO  74 -13.805 -18.910 -18.910
  580   2HD   PRO  74          3HD       PRO  74 -12.212 -19.562 -19.562
  581    H    ARG  75           HN       ARG  75 -13.770 -19.708 -19.708
  582    HA   ARG  75           HA       ARG  75 -16.549 -20.443 -20.443
  583   1HB   ARG  75          2HB       ARG  75 -15.463 -17.582 -17.582
  584   2HB   ARG  75          3HB       ARG  75 -17.092 -18.039 -18.039
  585   1HG   ARG  75          2HG       ARG  75 -16.144 -18.923 -18.923
  586   2HG   ARG  75          3HG       ARG  75 -16.453 -17.211 -17.211
  587   1HD   ARG  75          2HD       ARG  75 -18.617 -18.753 -18.753
  588   2HD   ARG  75          3HD       ARG  75 -18.374 -19.275 -19.275
  589    HE   ARG  75           HE       ARG  75 -18.316 -16.416 -16.416
  590   1HH1  ARG  75          2HH2      ARG  75 -20.586 -19.068 -19.068
  591   2HH1  ARG  75          1HH2      ARG  75 -21.960 -18.145 -18.145
  592   1HH2  ARG  75          2HH1      ARG  75 -20.129 -15.197 -15.197
  593   2HH2  ARG  75          1HH1      ARG  75 -21.699 -15.928 -15.928
  594    H    SER  76           HN       SER  76 -13.969 -18.282 -18.282
  595    HA   SER  76           HA       SER  76 -14.300 -19.772 -19.772
  596   1HB   SER  76          2HB       SER  76 -14.185 -16.741 -16.741
  597   2HB   SER  76          3HB       SER  76 -13.986 -17.563 -17.563
  598    HG   SER  76           HG       SER  76 -16.119 -18.397 -18.397
  599    H    THR  77           HN       THR  77 -12.342 -20.657 -20.657
  600    HA   THR  77           HA       THR  77  -9.936 -19.374 -19.374
  601    HB   THR  77           HB       THR  77  -8.982 -21.560 -21.560
  602    HG1  THR  77           HG1      THR  77 -11.182 -21.926 -21.926
  603   1HG2  THR  77          2HG2      THR  77 -11.367 -21.343 -21.343
  604   2HG2  THR  77          3HG2      THR  77 -11.787 -22.609 -22.609
  605   3HG2  THR  77          1HG2      THR  77 -10.426 -22.852 -22.852
  606    H    PHE  78           HN       PHE  78  -7.930 -19.617 -19.617
  607    HA   PHE  78           HA       PHE  78  -8.708 -19.109 -19.109
  608   1HB   PHE  78          2HB       PHE  78  -6.591 -17.562 -17.562
  609   2HB   PHE  78          3HB       PHE  78  -7.234 -17.133 -17.133
  610    HD1  PHE  78           HD1      PHE  78  -8.198 -17.482 -17.482
  611    HD2  PHE  78           HD2      PHE  78  -9.068 -15.691 -15.691
  612    HE1  PHE  78           HE1      PHE  78  -9.910 -16.013 -16.013
  613    HE2  PHE  78           HE2      PHE  78 -10.780 -14.221 -14.221
  614   1HZ   PHE  78           HZ       PHE  78 -11.180 -14.400 -14.400
  615    H    SER  79           HN       SER  79  -7.233 -19.847 -19.847
  616    HA   SER  79           HA       SER  79  -5.357 -21.738 -21.738
  617   1HB   SER  79          2HB       SER  79  -6.245 -20.899 -20.899
  618   2HB   SER  79          3HB       SER  79  -4.918 -22.020 -22.020
  619    HG   SER  79           HG       SER  79  -7.047 -23.049 -23.049
  620    H    THR  80           HN       THR  80  -5.368 -18.397 -18.397
  621    HA   THR  80           HA       THR  80  -2.444 -18.368 -18.368
  622    HB   THR  80           HB       THR  80  -2.373 -16.856 -16.856
  623    HG1  THR  80           HG1      THR  80  -4.498 -16.676 -16.676
  624   1HG2  THR  80          1HG2      THR  80  -2.380 -19.432 -19.432
  625   2HG2  THR  80          2HG2      THR  80  -4.106 -19.258 -19.258
  626   3HG2  THR  80          3HG2      THR  80  -2.873 -18.449 -18.449
  627    H    LEU  81           HN       LEU  81  -1.541 -16.411 -16.411
  628    HA   LEU  81           HA       LEU  81  -3.304 -15.101 -15.101
  629   1HB   LEU  81          2HB       LEU  81  -0.377 -14.927 -14.927
  630   2HB   LEU  81          3HB       LEU  81  -1.135 -13.750 -13.750
  631    HG   LEU  81           HG       LEU  81  -1.380 -16.706 -16.706
  632   1HD1  LEU  81          1HD1      LEU  81   0.949 -14.893 -14.893
  633   2HD1  LEU  81          2HD1      LEU  81   0.560 -16.278 -16.278
  634   3HD1  LEU  81          3HD1      LEU  81   0.942 -16.542 -16.542
  635   1HD2  LEU  81          1HD2      LEU  81  -1.828 -14.173 -14.173
  636   2HD2  LEU  81          2HD2      LEU  81  -2.876 -15.601 -15.601
  637   3HD2  LEU  81          3HD2      LEU  81  -1.429 -15.683 -15.683
  638    H    GLN  82           HN       GLN  82  -2.176 -14.580 -14.580
  639    HA   GLN  82           HA       GLN  82  -2.432 -11.807 -11.807
  640   1HB   GLN  82          2HB       GLN  82  -1.218 -13.146 -13.146
  641   2HB   GLN  82          3HB       GLN  82  -2.739 -13.814 -13.814
  642   1HG   GLN  82          2HG       GLN  82  -2.141 -11.964 -11.964
  643   2HG   GLN  82          3HG       GLN  82  -3.539 -11.482 -11.482
  644   1HE2  GLN  82          2HE2      GLN  82  -1.938  -9.002  -9.002
  645   2HE2  GLN  82          1HE2      GLN  82  -3.272 -10.102 -10.102
  646    H    GLU  83           HN       GLU  83  -4.750 -14.493 -14.493
  647    HA   GLU  83           HA       GLU  83  -6.810 -12.760 -12.760
  648   1HB   GLU  83          2HB       GLU  83  -6.945 -15.644 -15.644
  649   2HB   GLU  83          3HB       GLU  83  -8.237 -14.795 -14.795
  650   1HG   GLU  83          2HG       GLU  83  -5.537 -14.864 -14.864
  651   2HG   GLU  83          3HG       GLU  83  -6.470 -16.348 -16.348
  652    H    LEU  84           HN       LEU  84  -5.532 -13.889 -13.889
  653    HA   LEU  84           HA       LEU  84  -7.934 -13.327 -13.327
  654   1HB   LEU  84          2HB       LEU  84  -6.690 -15.030 -15.030
  655   2HB   LEU  84          3HB       LEU  84  -5.158 -14.229 -14.229
  656    HG   LEU  84           HG       LEU  84  -7.076 -13.002 -13.002
  657   1HD1  LEU  84          1HD1      LEU  84  -7.035 -15.406 -15.406
  658   2HD1  LEU  84          2HD1      LEU  84  -5.262 -15.328 -15.328
  659   3HD1  LEU  84          3HD1      LEU  84  -6.276 -14.389 -14.389
  660   1HD2  LEU  84          2HD2      LEU  84  -4.199 -12.851 -12.851
  661   2HD2  LEU  84          3HD2      LEU  84  -5.308 -11.611 -11.611
  662   3HD2  LEU  84          1HD2      LEU  84  -4.596 -12.815 -12.815
  663    H    VAL  85           HN       VAL  85  -4.885 -11.672 -11.672
  664    HA   VAL  85           HA       VAL  85  -5.344  -9.498  -9.498
  665    HB   VAL  85           HB       VAL  85  -3.493  -9.940  -9.940
  666   1HG1  VAL  85          3HG1      VAL  85  -4.222  -7.462  -7.462
  667   2HG1  VAL  85          1HG1      VAL  85  -2.541  -7.850  -7.850
  668   3HG1  VAL  85          2HG1      VAL  85  -3.016  -7.764  -7.764
  669   1HG2  VAL  85          3HG2      VAL  85  -3.376 -11.124 -11.124
  670   2HG2  VAL  85          1HG2      VAL  85  -1.926 -10.666 -10.666
  671   3HG2  VAL  85          2HG2      VAL  85  -2.515  -9.614  -9.614
  672    H    ASP  86           HN       ASP  86  -6.341 -10.407 -10.407
  673    HA   ASP  86           HA       ASP  86  -7.040  -7.749  -7.749
  674   1HB   ASP  86          2HB       ASP  86  -7.293 -10.494 -10.494
  675   2HB   ASP  86          3HB       ASP  86  -8.433  -9.292  -9.292
  676    H    HIS  87           HN       HIS  87  -8.536 -10.629 -10.629
  677    HA   HIS  87           HA       HIS  87 -11.212  -9.842  -9.842
  678   1HB   HIS  87          2HB       HIS  87 -11.007 -12.093 -12.093
  679   2HB   HIS  87          3HB       HIS  87  -9.754 -11.889 -11.889
  680    HD1  HIS  87           HD1      HIS  87 -10.536 -11.243 -11.243
  681    HD2  HIS  87           HD2      HIS  87 -13.631 -12.133 -12.133
  682    HE1  HIS  87           HE1      HIS  87 -12.628 -11.608 -11.608
  683    H    TYR  88           HN       TYR  88  -8.753  -9.285  -9.285
  684    HA   TYR  88           HA       TYR  88 -10.594  -8.062  -8.062
  685   1HB   TYR  88          2HB       TYR  88  -7.569  -8.278  -8.278
  686   2HB   TYR  88          3HB       TYR  88  -8.177  -7.232  -7.232
  687    HD1  TYR  88           HD1      TYR  88 -10.468  -8.839  -8.839
  688    HD2  TYR  88           HD2      TYR  88  -6.526 -10.036 -10.036
  689    HE1  TYR  88           HE1      TYR  88 -10.606 -10.831 -10.831
  690    HE2  TYR  88           HE2      TYR  88  -6.677 -12.025 -12.025
  691    HH   TYR  88           HH       TYR  88  -9.252 -12.320 -12.320
  692    H    LYS  89           HN       LYS  89  -8.619  -6.982  -6.982
  693    HA   LYS  89           HA       LYS  89  -8.703  -4.230  -4.230
  694   1HB   LYS  89          2HB       LYS  89  -7.766  -5.868  -5.868
  695   2HB   LYS  89          3HB       LYS  89  -8.138  -4.187  -4.187
  696   1HG   LYS  89          2HG       LYS  89  -6.393  -3.400  -3.400
  697   2HG   LYS  89          3HG       LYS  89  -6.552  -4.679  -4.679
  698   1HD   LYS  89          2HD       LYS  89  -4.697  -5.596  -5.596
  699   2HD   LYS  89          3HD       LYS  89  -5.745  -6.090  -6.090
  700   1HE   LYS  89          2HE       LYS  89  -5.296  -3.784  -3.784
  701   2HE   LYS  89          3HE       LYS  89  -4.057  -3.553  -3.553
  702   1HZ   LYS  89          3HZ       LYS  89  -4.116  -5.905  -5.905
  703   2HZ   LYS  89          1HZ       LYS  89  -3.310  -4.538  -4.538
  704   3HZ   LYS  89          2HZ       LYS  89  -2.882  -5.393  -5.393
  705    H    LYS  90           HN       LYS  90 -10.753  -6.488  -6.488
  706    HA   LYS  90           HA       LYS  90 -12.346  -4.406  -4.406
  707   1HB   LYS  90          2HB       LYS  90 -12.455  -7.407  -7.407
  708   2HB   LYS  90          3HB       LYS  90 -13.876  -6.510  -6.510
  709   1HG   LYS  90          2HG       LYS  90 -11.911  -5.221  -5.221
  710   2HG   LYS  90          3HG       LYS  90 -11.264  -6.848  -6.848
  711   1HD   LYS  90          2HD       LYS  90 -13.161  -7.784  -7.784
  712   2HD   LYS  90          3HD       LYS  90 -14.176  -6.404  -6.404
  713   1HE   LYS  90          2HE       LYS  90 -11.734  -5.837  -5.837
  714   2HE   LYS  90          3HE       LYS  90 -12.989  -6.779  -6.779
  715   1HZ   LYS  90          2HZ       LYS  90 -13.982  -4.529  -4.529
  716   2HZ   LYS  90          3HZ       LYS  90 -12.987  -4.120  -4.120
  717   3HZ   LYS  90          1HZ       LYS  90 -14.318  -5.021  -5.021
  718    H    GLY  91           HN       GLY  91 -12.176  -6.118  -6.118
  719   1HA   GLY  91          1HA       GLY  91 -13.878  -4.424  -4.424
  720   2HA   GLY  91          2HA       GLY  91 -14.892  -5.734  -5.734
  721    H    ASN  92           HN       ASN  92 -13.991  -4.977  -4.977
  722    HA   ASN  92           HA       ASN  92 -12.040  -6.552  -6.552
  723   1HB   ASN  92          2HB       ASN  92 -13.624  -6.658  -6.658
  724   2HB   ASN  92          3HB       ASN  92 -13.053  -5.094  -5.094
  725   1HD2  ASN  92          2HD2      ASN  92 -16.972  -5.897  -5.897
  726   2HD2  ASN  92          1HD2      ASN  92 -15.689  -6.839  -6.839
  727    H    ASP  93           HN       ASP  93 -15.584  -7.337  -7.337
  728    HA   ASP  93           HA       ASP  93 -16.676  -9.225  -9.225
  729   1HB   ASP  93          2HB       ASP  93 -15.372  -9.249  -9.249
  730   2HB   ASP  93          3HB       ASP  93 -14.432 -10.535 -10.535
  731    H    GLY  94           HN       GLY  94 -15.291  -8.961  -8.961
  732   1HA   GLY  94          1HA       GLY  94 -15.224 -11.126 -11.126
  733   2HA   GLY  94          2HA       GLY  94 -13.792 -11.455 -11.455
  734    H    LEU  95           HN       LEU  95 -12.700  -8.824  -8.824
  735    HA   LEU  95           HA       LEU  95 -11.476  -8.602  -8.602
  736   1HB   LEU  95          2HB       LEU  95 -11.236  -6.821  -6.821
  737   2HB   LEU  95          3HB       LEU  95 -10.161  -6.847  -6.847
  738    HG   LEU  95           HG       LEU  95 -10.516  -8.972  -8.972
  739   1HD1  LEU  95          2HD1      LEU  95  -8.353  -7.048  -7.048
  740   2HD1  LEU  95          3HD1      LEU  95  -7.920  -8.605  -8.605
  741   3HD1  LEU  95          1HD1      LEU  95  -8.987  -7.471  -7.471
  742   1HD2  LEU  95          2HD2      LEU  95  -8.995  -9.207  -9.207
  743   2HD2  LEU  95          3HD2      LEU  95 -10.430 -10.140 -10.140
  744   3HD2  LEU  95          1HD2      LEU  95  -8.893 -10.349 -10.349
  745    H    CYS  96           HN       CYS  96 -11.220  -6.277  -6.277
  746    HA   CYS  96           HA       CYS  96 -13.816  -5.513  -5.513
  747   1HB   CYS  96          2HB       CYS  96 -12.637  -3.778  -3.778
  748   2HB   CYS  96          3HB       CYS  96 -12.005  -5.392  -5.392
  749    HG   CYS  96           HG       CYS  96 -10.621  -2.747  -2.747
  750    H    GLN  97           HN       GLN  97 -11.263  -4.192  -4.192
  751    HA   GLN  97           HA       GLN  97 -13.318  -2.551  -2.551
  752   1HB   GLN  97          2HB       GLN  97 -10.600  -1.453  -1.453
  753   2HB   GLN  97          3HB       GLN  97 -11.809  -0.574  -0.574
  754   1HG   GLN  97          2HG       GLN  97 -13.416  -0.773  -0.773
  755   2HG   GLN  97          3HG       GLN  97 -12.254  -1.716  -1.716
  756   1HE2  GLN  97          2HE2      GLN  97 -10.266   0.949   0.949
  757   2HE2  GLN  97          1HE2      GLN  97 -10.458  -0.764  -0.764
  758    H    LYS  98           HN       LYS  98 -12.982  -2.161  -2.161
  759    HA   LYS  98           HA       LYS  98 -11.644  -4.137  -4.137
  760   1HB   LYS  98          2HB       LYS  98 -12.268  -2.992  -2.992
  761   2HB   LYS  98          3HB       LYS  98 -13.514  -2.600  -2.600
  762   1HG   LYS  98          2HG       LYS  98 -12.135  -0.477  -0.477
  763   2HG   LYS  98          3HG       LYS  98 -11.182  -0.844  -0.844
  764   1HD   LYS  98          2HD       LYS  98 -12.745   0.201   0.201
  765   2HD   LYS  98          3HD       LYS  98 -13.878  -1.072  -1.072
  766   1HE   LYS  98          2HE       LYS  98 -13.812   0.614   0.614
  767   2HE   LYS  98          3HE       LYS  98 -13.821   1.707   1.707
  768   1HZ   LYS  98          3HZ       LYS  98 -15.647  -0.035  -0.035
  769   2HZ   LYS  98          1HZ       LYS  98 -15.846  -0.140  -0.140
  770   3HZ   LYS  98          2HZ       LYS  98 -16.001   1.303   1.303
  771    H    LEU  99           HN       LEU  99  -9.790  -3.852  -3.852
  772    HA   LEU  99           HA       LEU  99  -7.630  -2.536  -2.536
  773   1HB   LEU  99          2HB       LEU  99  -7.721  -4.599  -4.599
  774   2HB   LEU  99          3HB       LEU  99  -6.235  -3.826  -3.826
  775    HG   LEU  99           HG       LEU  99  -8.025  -5.662  -5.662
  776   1HD1  LEU  99          2HD1      LEU  99  -6.023  -6.308  -6.308
  777   2HD1  LEU  99          3HD1      LEU  99  -5.088  -6.044  -6.044
  778   3HD1  LEU  99          1HD1      LEU  99  -6.413  -7.233  -7.233
  779   1HD2  LEU  99          2HD2      LEU  99  -6.108  -3.608  -3.608
  780   2HD2  LEU  99          3HD2      LEU  99  -7.552  -4.296  -4.296
  781   3HD2  LEU  99          1HD2      LEU  99  -6.026  -5.212  -5.212
  782    H    SER 100           HN       SER 100  -6.243  -0.981  -0.981
  783    HA   SER 100           HA       SER 100  -7.476   0.280   0.280
  784   1HB   SER 100          2HB       SER 100  -6.367   2.375   2.375
  785   2HB   SER 100          3HB       SER 100  -7.492   1.726   1.726
  786    HG   SER 100           HG       SER 100  -5.764   2.041   2.041
  787    H    VAL 101           HN       VAL 101  -4.190   0.454   0.454
  788    HA   VAL 101           HA       VAL 101  -3.047  -0.616  -0.616
  789    HB   VAL 101           HB       VAL 101  -1.374   1.198   1.198
  790   1HG1  VAL 101          1HG1      VAL 101  -3.622   1.170   1.170
  791   2HG1  VAL 101          2HG1      VAL 101  -4.090   2.487   2.487
  792   3HG1  VAL 101          3HG1      VAL 101  -2.666   2.670   2.670
  793   1HG2  VAL 101          1HG2      VAL 101  -3.163   2.416   2.416
  794   2HG2  VAL 101          2HG2      VAL 101  -1.450   1.956   1.956
  795   3HG2  VAL 101          3HG2      VAL 101  -1.914   3.313   3.313
  796    HA   PRO 102           HA       PRO 102  -0.502  -2.620  -2.620
  797   1HB   PRO 102          2HB       PRO 102   1.649  -3.287  -3.287
  798   2HB   PRO 102          3HB       PRO 102   0.145  -4.187  -4.187
  799   1HG   PRO 102          2HG       PRO 102   1.188  -2.299  -2.299
  800   2HG   PRO 102          3HG       PRO 102  -0.069  -3.508  -3.508
  801   1HD   PRO 102          2HD       PRO 102  -0.438  -0.677  -0.677
  802   2HD   PRO 102          3HD       PRO 102  -1.694  -1.898  -1.898
  803    H    CYS 103           HN       CYS 103   1.196  -2.458  -2.458
  804    HA   CYS 103           HA       CYS 103   1.929   0.026   0.026
  805   1HB   CYS 103          2HB       CYS 103   2.326  -1.989  -1.989
  806   2HB   CYS 103          3HB       CYS 103   3.652  -2.453  -2.453
  807    HG   CYS 103           HG       CYS 103   5.211  -1.392  -1.392
  808    H    MET 104           HN       MET 104   3.841   1.372   1.372
  809    HA   MET 104           HA       MET 104   4.714   1.217   1.217
  810   1HB   MET 104          2HB       MET 104   5.953   3.331   3.331
  811   2HB   MET 104          3HB       MET 104   4.257   3.395   3.395
  812   1HG   MET 104          2HG       MET 104   4.753   3.610   3.610
  813   2HG   MET 104          3HG       MET 104   5.788   2.196   2.196
  814   1HE   MET 104          1HE       MET 104   6.795   4.004   4.004
  815   2HE   MET 104          2HE       MET 104   7.883   2.763   2.763
  816   3HE   MET 104          3HE       MET 104   8.454   4.438   4.438
  817    H    SER 105           HN       SER 105   6.864   0.891   0.891
  818    HA   SER 105           HA       SER 105   8.361  -0.882  -0.882
  819   1HB   SER 105          2HB       SER 105   9.658  -1.312  -1.312
  820   2HB   SER 105          3HB       SER 105   8.023  -1.060  -1.060
  821    HG   SER 105           HG       SER 105  10.318   0.385   0.385
  822    H    SER 106           HN       SER 106  10.783  -0.579  -0.579
  823    HA   SER 106           HA       SER 106  11.441   2.250   2.250
  824   1HB   SER 106          2HB       SER 106  10.841   0.660   0.660
  825   2HB   SER 106          3HB       SER 106  12.587   0.532   0.532
  826    HG   SER 106           HG       SER 106  11.494   3.136   3.136
  827    H    LYS 107           HN       LYS 107  13.801   2.688   2.688
  828    HA   LYS 107           HA       LYS 107  15.257   0.460   0.460
  829   1HB   LYS 107          2HB       LYS 107  15.108   3.385   3.385
  830   2HB   LYS 107          3HB       LYS 107  16.618   2.546   2.546
  831   1HG   LYS 107          2HG       LYS 107  15.760   1.316   1.316
  832   2HG   LYS 107          3HG       LYS 107  14.220   1.065   1.065
  833   1HD   LYS 107          2HD       LYS 107  13.358   2.595   2.595
  834   2HD   LYS 107          3HD       LYS 107  14.199   3.815   3.815
  835   1HE   LYS 107          2HE       LYS 107  15.739   2.325   2.325
  836   2HE   LYS 107          3HE       LYS 107  14.608   3.566   3.566
  837   1HZ   LYS 107          2HZ       LYS 107  15.862   4.842   4.842
  838   2HZ   LYS 107          3HZ       LYS 107  17.071   3.839   3.839
  839   3HZ   LYS 107          1HZ       LYS 107  16.395   4.841   4.841

  Start of MODEL   15
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.146   1.046   1.046
    3   1HB   MET   1          2HB       MET   1   3.452  -1.183  -1.183
    4   2HB   MET   1          3HB       MET   1   3.693  -1.306  -1.306
    5   1HG   MET   1          2HG       MET   1   5.448   0.127   0.127
    6   2HG   MET   1          3HG       MET   1   4.205   1.359   1.359
    7   1HE   MET   1          2HE       MET   1   6.542  -0.664  -0.664
    8   2HE   MET   1          3HE       MET   1   6.961   0.286   0.286
    9   3HE   MET   1          1HE       MET   1   5.772  -1.034  -1.034
   10    H    GLU   2           HN       GLU   2  -0.076   0.682   0.682
   11    HA   GLU   2           HA       GLU   2  -1.297  -0.126  -0.126
   12   1HB   GLU   2          2HB       GLU   2   1.115  -1.870  -1.870
   13   2HB   GLU   2          3HB       GLU   2  -0.292  -1.689  -1.689
   14   1HG   GLU   2          2HG       GLU   2   0.477   0.279   0.279
   15   2HG   GLU   2          3HG       GLU   2   0.680   0.944   0.944
   16    H    THR   3           HN       THR   3  -2.893  -1.054  -1.054
   17    HA   THR   3           HA       THR   3  -2.855  -3.963  -3.963
   18    HB   THR   3           HB       THR   3  -3.581  -3.761  -3.761
   19    HG1  THR   3           HG1      THR   3  -2.238  -1.232  -1.232
   20   1HG2  THR   3          1HG2      THR   3  -0.735  -3.034  -3.034
   21   2HG2  THR   3          2HG2      THR   3  -1.185  -3.446  -3.446
   22   3HG2  THR   3          3HG2      THR   3  -1.345  -4.662  -4.662
   23    H    GLU   4           HN       GLU   4  -5.145  -4.384  -4.384
   24    HA   GLU   4           HA       GLU   4  -7.068  -3.707  -3.707
   25   1HB   GLU   4          2HB       GLU   4  -6.911  -5.287  -5.287
   26   2HB   GLU   4          3HB       GLU   4  -8.473  -4.520  -4.520
   27   1HG   GLU   4          2HG       GLU   4  -8.703  -6.592  -6.592
   28   2HG   GLU   4          3HG       GLU   4  -8.443  -5.431  -5.431
   29    H    GLU   5           HN       GLU   5  -8.328  -1.900  -1.900
   30    HA   GLU   5           HA       GLU   5  -8.492  -0.205  -0.205
   31   1HB   GLU   5          2HB       GLU   5  -7.510   0.391   0.391
   32   2HB   GLU   5          3HB       GLU   5  -8.969   1.328   1.328
   33   1HG   GLU   5          2HG       GLU   5  -7.910   1.905   1.905
   34   2HG   GLU   5          3HG       GLU   5  -6.409   1.345   1.345
   35    H    TRP   6           HN       TRP   6 -10.346  -2.237  -2.237
   36    HA   TRP   6           HA       TRP   6 -12.639  -1.226  -1.226
   37   1HB   TRP   6          2HB       TRP   6 -13.709  -3.289  -3.289
   38   2HB   TRP   6          3HB       TRP   6 -12.458  -3.526  -3.526
   39    HD1  TRP   6           HD1      TRP   6 -10.325  -4.915  -4.915
   40    HE1  TRP   6           HE1      TRP   6  -9.514  -6.145  -6.145
   41    HE3  TRP   6           HE3      TRP   6 -13.891  -2.958  -2.958
   42    HZ2  TRP   6           HZ2      TRP   6 -10.435  -6.162  -6.162
   43    HZ3  TRP   6           HZ3      TRP   6 -13.865  -3.633  -3.633
   44    HH2  TRP   6           HH2      TRP   6 -12.214  -5.177  -5.177
   45    H    PHE   7           HN       PHE   7 -11.122  -1.004  -1.004
   46    HA   PHE   7           HA       PHE   7 -13.617  -0.283  -0.283
   47   1HB   PHE   7          2HB       PHE   7 -12.028  -1.693  -1.693
   48   2HB   PHE   7          3HB       PHE   7 -10.678  -0.669  -0.669
   49    HD1  PHE   7           HD1      PHE   7 -14.007   0.176   0.176
   50    HD2  PHE   7           HD2      PHE   7  -9.791   0.198   0.198
   51    HE1  PHE   7           HE1      PHE   7 -14.259   1.448   1.448
   52    HE2  PHE   7           HE2      PHE   7 -10.043   1.470   1.470
   53   1HZ   PHE   7           HZ       PHE   7 -12.274   2.080   2.080
   54    H    PHE   8           HN       PHE   8 -14.048   1.791   1.791
   55    HA   PHE   8           HA       PHE   8 -12.161   3.877   3.877
   56   1HB   PHE   8          2HB       PHE   8 -15.151   3.490   3.490
   57   2HB   PHE   8          3HB       PHE   8 -14.573   5.129   5.129
   58    HD1  PHE   8           HD2      PHE   8 -13.569   2.122   2.122
   59    HD2  PHE   8           HD1      PHE   8 -14.198   6.318   6.318
   60    HE1  PHE   8           HE2      PHE   8 -12.969   2.248   2.248
   61    HE2  PHE   8           HE1      PHE   8 -13.599   6.444   6.444
   62   1HZ   PHE   8           HZ       PHE   8 -12.992   4.407   4.407
   63    H    LYS   9           HN       LYS   9 -12.625   6.013   6.013
   64    HA   LYS   9           HA       LYS   9 -12.520   5.529   5.529
   65   1HB   LYS   9          2HB       LYS   9 -12.363   7.803   7.803
   66   2HB   LYS   9          3HB       LYS   9 -13.192   8.222   8.222
   67   1HG   LYS   9          2HG       LYS   9 -11.043   8.527   8.527
   68   2HG   LYS   9          3HG       LYS   9 -11.145   6.805   6.805
   69   1HD   LYS   9          2HD       LYS   9 -10.339   6.717   6.717
   70   2HD   LYS   9          3HD       LYS   9  -9.653   8.269   8.269
   71   1HE   LYS   9          2HE       LYS   9  -8.985   6.642   6.642
   72   2HE   LYS   9          3HE       LYS   9  -8.826   5.553   5.553
   73   1HZ   LYS   9          2HZ       LYS   9  -7.638   8.233   8.233
   74   2HZ   LYS   9          3HZ       LYS   9  -6.840   6.924   6.924
   75   3HZ   LYS   9          1HZ       LYS   9  -7.302   6.987   6.987
   76    H    GLY  10           HN       GLY  10 -14.176   7.409   7.409
   77   1HA   GLY  10          1HA       GLY  10 -16.623   5.926   5.926
   78   2HA   GLY  10          2HA       GLY  10 -16.177   7.347   7.347
   79    H    ILE  11           HN       ILE  11 -16.923   6.440   6.440
   80    HA   ILE  11           HA       ILE  11 -17.941   9.080   9.080
   81    HB   ILE  11           HB       ILE  11 -16.670   7.388   7.388
   82   1HG1  ILE  11          2HG1      ILE  11 -18.872   9.301   9.301
   83   2HG1  ILE  11          3HG1      ILE  11 -17.153   9.621   9.621
   84   1HG2  ILE  11          3HG2      ILE  11 -18.328   5.594   5.594
   85   2HG2  ILE  11          1HG2      ILE  11 -19.565   6.664   6.664
   86   3HG2  ILE  11          2HG2      ILE  11 -18.159   6.171   6.171
   87   1HD1  ILE  11          1HD1      ILE  11 -16.782   7.884   7.884
   88   2HD1  ILE  11          2HD1      ILE  11 -18.550   7.811   7.811
   89   3HD1  ILE  11          3HD1      ILE  11 -17.681   9.330   9.330
   90    H    SER  12           HN       SER  12 -20.153   9.555   9.555
   91    HA   SER  12           HA       SER  12 -21.967   8.042   8.042
   92   1HB   SER  12          2HB       SER  12 -23.594   9.844   9.844
   93   2HB   SER  12          3HB       SER  12 -22.126  10.463  10.463
   94    HG   SER  12           HG       SER  12 -21.714  10.304  10.304
   95    H    ARG  13           HN       ARG  13 -24.344   7.841   7.841
   96    HA   ARG  13           HA       ARG  13 -23.930   5.970   5.970
   97   1HB   ARG  13          2HB       ARG  13 -25.747   5.598   5.598
   98   2HB   ARG  13          3HB       ARG  13 -26.422   7.188   7.188
   99   1HG   ARG  13          2HG       ARG  13 -26.147   5.390   5.390
  100   2HG   ARG  13          3HG       ARG  13 -27.359   4.938   4.938
  101   1HD   ARG  13          2HD       ARG  13 -27.341   7.836   7.836
  102   2HD   ARG  13          3HD       ARG  13 -27.775   6.758   6.758
  103    HE   ARG  13           HE       ARG  13 -29.410   7.389   7.389
  104   1HH1  ARG  13          2HH2      ARG  13 -28.569   4.705   4.705
  105   2HH1  ARG  13          1HH2      ARG  13 -30.071   3.877   3.877
  106   1HH2  ARG  13          2HH1      ARG  13 -31.392   6.298   6.298
  107   2HH2  ARG  13          1HH1      ARG  13 -31.688   4.789   4.789
  108    H    LYS  14           HN       LYS  14 -24.713   9.412   9.412
  109    HA   LYS  14           HA       LYS  14 -25.876   9.599   9.599
  110   1HB   LYS  14          2HB       LYS  14 -24.956  11.496  11.496
  111   2HB   LYS  14          3HB       LYS  14 -25.152  12.117  12.117
  112   1HG   LYS  14          2HG       LYS  14 -27.480  11.417  11.417
  113   2HG   LYS  14          3HG       LYS  14 -27.318  10.485  10.485
  114   1HD   LYS  14          2HD       LYS  14 -26.766  13.473  13.473
  115   2HD   LYS  14          3HD       LYS  14 -28.409  12.875  12.875
  116   1HE   LYS  14          2HE       LYS  14 -27.810  11.545  11.545
  117   2HE   LYS  14          3HE       LYS  14 -26.140  12.061  12.061
  118   1HZ   LYS  14          2HZ       LYS  14 -27.868  14.279  14.279
  119   2HZ   LYS  14          3HZ       LYS  14 -28.147  13.363  13.363
  120   3HZ   LYS  14          1HZ       LYS  14 -26.647  13.937  13.937
  121    H    ASP  15           HN       ASP  15 -22.666  10.729  10.729
  122    HA   ASP  15           HA       ASP  15 -21.599  11.354  11.354
  123   1HB   ASP  15          2HB       ASP  15 -20.391  10.338  10.338
  124   2HB   ASP  15          3HB       ASP  15 -19.355  10.665  10.665
  125    H    ALA  16           HN       ALA  16 -22.227   8.220   8.220
  126    HA   ALA  16           HA       ALA  16 -20.361   6.756   6.756
  127   1HB   ALA  16          1HB       ALA  16 -22.511   6.149   6.149
  128   2HB   ALA  16          2HB       ALA  16 -21.913   4.840   4.840
  129   3HB   ALA  16          3HB       ALA  16 -20.785   5.715   5.715
  130    H    GLU  17           HN       GLU  17 -23.722   7.872   7.872
  131    HA   GLU  17           HA       GLU  17 -24.358   6.058   6.058
  132   1HB   GLU  17          2HB       GLU  17 -25.724   8.317   8.317
  133   2HB   GLU  17          3HB       GLU  17 -26.319   7.920   7.920
  134   1HG   GLU  17          2HG       GLU  17 -26.134   5.400   5.400
  135   2HG   GLU  17          3HG       GLU  17 -26.393   6.287   6.287
  136    H    ARG  18           HN       ARG  18 -22.758   9.151   9.151
  137    HA   ARG  18           HA       ARG  18 -23.312   9.832   9.832
  138   1HB   ARG  18          2HB       ARG  18 -21.645  11.166  11.166
  139   2HB   ARG  18          3HB       ARG  18 -21.755  11.810  11.810
  140   1HG   ARG  18          2HG       ARG  18 -24.412  11.181  11.181
  141   2HG   ARG  18          3HG       ARG  18 -23.538  12.316  12.316
  142   1HD   ARG  18          2HD       ARG  18 -23.102  13.751  13.751
  143   2HD   ARG  18          3HD       ARG  18 -24.022  12.627  12.627
  144    HE   ARG  18           HE       ARG  18 -25.108  14.631  14.631
  145   1HH1  ARG  18          2HH2      ARG  18 -25.729  11.438  11.438
  146   2HH1  ARG  18          1HH2      ARG  18 -27.447  11.554  11.554
  147   1HH2  ARG  18          2HH1      ARG  18 -27.375  14.784  14.784
  148   2HH2  ARG  18          1HH1      ARG  18 -28.389  13.470  13.470
  149    H    GLN  19           HN       GLN  19 -20.808   8.336   8.336
  150    HA   GLN  19           HA       GLN  19 -18.741   8.682   8.682
  151   1HB   GLN  19          2HB       GLN  19 -19.066   7.087   7.087
  152   2HB   GLN  19          3HB       GLN  19 -17.674   6.811   6.811
  153   1HG   GLN  19          2HG       GLN  19 -17.839   9.621   9.621
  154   2HG   GLN  19          3HG       GLN  19 -18.252   9.080   9.080
  155   1HE2  GLN  19          2HE2      GLN  19 -15.117   7.613   7.613
  156   2HE2  GLN  19          1HE2      GLN  19 -16.822   7.559   7.559
  157    H    LEU  20           HN       LEU  20 -21.349   6.378   6.378
  158    HA   LEU  20           HA       LEU  20 -20.113   4.373   4.373
  159   1HB   LEU  20          2HB       LEU  20 -22.517   4.552   4.552
  160   2HB   LEU  20          3HB       LEU  20 -22.549   3.400   3.400
  161    HG   LEU  20           HG       LEU  20 -20.193   3.422   3.422
  162   1HD1  LEU  20          1HD1      LEU  20 -22.898   3.035   3.035
  163   2HD1  LEU  20          2HD1      LEU  20 -22.020   1.490   1.490
  164   3HD1  LEU  20          3HD1      LEU  20 -21.385   2.928   2.928
  165   1HD2  LEU  20          2HD2      LEU  20 -21.256   1.724   1.724
  166   2HD2  LEU  20          3HD2      LEU  20 -19.646   1.736   1.736
  167   3HD2  LEU  20          1HD2      LEU  20 -20.976   0.815   0.815
  168    H    LEU  21           HN       LEU  21 -22.594   6.939   6.939
  169    HA   LEU  21           HA       LEU  21 -23.476   6.100   6.100
  170   1HB   LEU  21          2HB       LEU  21 -24.191   8.305   8.305
  171   2HB   LEU  21          3HB       LEU  21 -24.725   8.365   8.365
  172    HG   LEU  21           HG       LEU  21 -25.292   6.016   6.016
  173   1HD1  LEU  21          3HD1      LEU  21 -26.558   8.672   8.672
  174   2HD1  LEU  21          1HD1      LEU  21 -27.687   7.302   7.302
  175   3HD1  LEU  21          2HD1      LEU  21 -26.599   7.422   7.422
  176   1HD2  LEU  21          2HD2      LEU  21 -25.398   5.646   5.646
  177   2HD2  LEU  21          3HD2      LEU  21 -26.943   5.390   5.390
  178   3HD2  LEU  21          1HD2      LEU  21 -26.675   6.883   6.883
  179    H    ALA  22           HN       ALA  22 -20.847   7.861   7.861
  180    HA   ALA  22           HA       ALA  22 -20.560   9.861   9.861
  181   1HB   ALA  22          1HB       ALA  22 -19.067   8.706   8.706
  182   2HB   ALA  22          2HB       ALA  22 -18.002   9.185   9.185
  183   3HB   ALA  22          3HB       ALA  22 -19.096  10.380  10.380
  184    HA   PRO  23           HA       PRO  23 -18.785   7.737   7.737
  185   1HB   PRO  23          2HB       PRO  23 -16.720   9.313   9.313
  186   2HB   PRO  23          3HB       PRO  23 -18.400   9.660   9.660
  187   1HG   PRO  23          2HG       PRO  23 -16.610  10.976  10.976
  188   2HG   PRO  23          3HG       PRO  23 -18.120  11.559  11.559
  189   1HD   PRO  23          2HD       PRO  23 -17.717  10.462  10.462
  190   2HD   PRO  23          3HD       PRO  23 -19.245  10.937  10.937
  191    H    GLY  24           HN       GLY  24 -17.546   6.003   6.003
  192   1HA   GLY  24          1HA       GLY  24 -15.264   5.135   5.135
  193   2HA   GLY  24          2HA       GLY  24 -15.151   5.691   5.691
  194    H    ASN  25           HN       ASN  25 -17.544   4.930   4.930
  195    HA   ASN  25           HA       ASN  25 -17.135   2.118   2.118
  196   1HB   ASN  25          2HB       ASN  25 -19.212   3.883   3.883
  197   2HB   ASN  25          3HB       ASN  25 -18.820   2.234   2.234
  198   1HD2  ASN  25          2HD2      ASN  25 -16.613   5.397   5.397
  199   2HD2  ASN  25          1HD2      ASN  25 -18.044   5.524   5.524
  200    H    MET  26           HN       MET  26 -18.809   0.500   0.500
  201    HA   MET  26           HA       MET  26 -21.136   1.538   1.538
  202   1HB   MET  26          2HB       MET  26 -20.798  -0.117  -0.117
  203   2HB   MET  26          3HB       MET  26 -19.374   0.896   0.896
  204   1HG   MET  26          2HG       MET  26 -18.108  -0.819  -0.819
  205   2HG   MET  26          3HG       MET  26 -19.542  -1.743  -1.743
  206   1HE   MET  26          2HE       MET  26 -16.850  -0.909  -0.909
  207   2HE   MET  26          3HE       MET  26 -16.668  -2.425  -2.425
  208   3HE   MET  26          1HE       MET  26 -17.331  -0.978  -0.978
  209    H    LEU  27           HN       LEU  27 -22.830  -0.266  -0.266
  210    HA   LEU  27           HA       LEU  27 -23.603  -1.337  -1.337
  211   1HB   LEU  27          2HB       LEU  27 -24.264  -1.678  -1.678
  212   2HB   LEU  27          3HB       LEU  27 -24.547  -3.138  -3.138
  213    HG   LEU  27           HG       LEU  27 -25.711  -0.400  -0.400
  214   1HD1  LEU  27          2HD1      LEU  27 -26.524  -1.945  -1.945
  215   2HD1  LEU  27          3HD1      LEU  27 -27.365  -2.799  -2.799
  216   3HD1  LEU  27          1HD1      LEU  27 -27.680  -1.070  -1.070
  217   1HD2  LEU  27          1HD2      LEU  27 -25.247  -2.526  -2.526
  218   2HD2  LEU  27          2HD2      LEU  27 -26.223  -1.060  -1.060
  219   3HD2  LEU  27          3HD2      LEU  27 -26.989  -2.541  -2.541
  220    H    GLY  28           HN       GLY  28 -22.206  -2.414  -2.414
  221   1HA   GLY  28          1HA       GLY  28 -21.760  -4.947  -4.947
  222   2HA   GLY  28          2HA       GLY  28 -20.654  -4.636  -4.636
  223    H    SER  29           HN       SER  29 -20.382  -1.746  -1.746
  224    HA   SER  29           HA       SER  29 -18.026  -2.460  -2.460
  225   1HB   SER  29          2HB       SER  29 -19.384   0.264   0.264
  226   2HB   SER  29          3HB       SER  29 -17.717  -0.031  -0.031
  227    HG   SER  29           HG       SER  29 -18.155  -1.262  -1.262
  228    H    PHE  30           HN       PHE  30 -17.761  -2.762  -2.762
  229    HA   PHE  30           HA       PHE  30 -20.019  -1.951  -1.951
  230   1HB   PHE  30          2HB       PHE  30 -19.461  -3.998  -3.998
  231   2HB   PHE  30          3HB       PHE  30 -19.727  -4.443  -4.443
  232    HD1  PHE  30           HD1      PHE  30 -17.195  -4.012  -4.012
  233    HD2  PHE  30           HD2      PHE  30 -17.916  -5.247  -5.247
  234    HE1  PHE  30           HE1      PHE  30 -14.937  -5.106  -5.106
  235    HE2  PHE  30           HE2      PHE  30 -15.658  -6.341  -6.341
  236   1HZ   PHE  30           HZ       PHE  30 -14.195  -6.257  -6.257
  237    H    MET  31           HN       MET  31 -19.464  -1.381  -1.381
  238    HA   MET  31           HA       MET  31 -16.665  -0.896  -0.896
  239   1HB   MET  31          2HB       MET  31 -17.092   1.516   1.516
  240   2HB   MET  31          3HB       MET  31 -17.461   1.181   1.181
  241   1HG   MET  31          2HG       MET  31 -19.741   1.484   1.484
  242   2HG   MET  31          3HG       MET  31 -19.739   0.809   0.809
  243   1HE   MET  31          3HE       MET  31 -17.340   3.365   3.365
  244   2HE   MET  31          1HE       MET  31 -18.824   4.115   4.115
  245   3HE   MET  31          2HE       MET  31 -17.886   4.935   4.935
  246    H    ILE  32           HN       ILE  32 -16.169  -0.533  -0.533
  247    HA   ILE  32           HA       ILE  32 -18.446  -1.150  -1.150
  248    HB   ILE  32           HB       ILE  32 -15.652  -2.255  -2.255
  249   1HG1  ILE  32          2HG1      ILE  32 -18.350  -3.620  -3.620
  250   2HG1  ILE  32          3HG1      ILE  32 -17.489  -3.379  -3.379
  251   1HG2  ILE  32          2HG2      ILE  32 -17.589  -2.269  -2.269
  252   2HG2  ILE  32          3HG2      ILE  32 -16.127  -3.276  -3.276
  253   3HG2  ILE  32          1HG2      ILE  32 -15.984  -1.503  -1.503
  254   1HD1  ILE  32          1HD1      ILE  32 -15.520  -4.630  -4.630
  255   2HD1  ILE  32          2HD1      ILE  32 -16.494  -4.955  -4.955
  256   3HD1  ILE  32          3HD1      ILE  32 -16.994  -5.619  -5.619
  257    H    ARG  33           HN       ARG  33 -18.590  -0.002  -0.002
  258    HA   ARG  33           HA       ARG  33 -16.445   1.799   1.799
  259   1HB   ARG  33          2HB       ARG  33 -18.196   3.723   3.723
  260   2HB   ARG  33          3HB       ARG  33 -17.632   3.316   3.316
  261   1HG   ARG  33          2HG       ARG  33 -19.639   1.918   1.918
  262   2HG   ARG  33          3HG       ARG  33 -20.188   2.203   2.203
  263   1HD   ARG  33          2HD       ARG  33 -20.019   4.769   4.769
  264   2HD   ARG  33          3HD       ARG  33 -20.071   4.153   4.153
  265    HE   ARG  33           HE       ARG  33 -22.338   3.682   3.682
  266   1HH1  ARG  33          2HH2      ARG  33 -20.820   3.929   3.929
  267   2HH1  ARG  33          1HH2      ARG  33 -22.312   3.779   3.779
  268   1HH2  ARG  33          2HH1      ARG  33 -24.306   3.484   3.484
  269   2HH2  ARG  33          1HH1      ARG  33 -24.308   3.525   3.525
  270    H    ASP  34           HN       ASP  34 -16.937   2.979   2.979
  271    HA   ASP  34           HA       ASP  34 -18.242   1.048   1.048
  272   1HB   ASP  34          2HB       ASP  34 -16.120   3.077   3.077
  273   2HB   ASP  34          3HB       ASP  34 -17.259   3.155   3.155
  274    H    SER  35           HN       SER  35 -19.712   1.926   1.926
  275    HA   SER  35           HA       SER  35 -21.703   3.509   3.509
  276   1HB   SER  35          2HB       SER  35 -21.993   1.797   1.797
  277   2HB   SER  35          3HB       SER  35 -21.196   2.885   2.885
  278    HG   SER  35           HG       SER  35 -23.790   2.817   2.817
  279    H    GLU  36           HN       GLU  36 -22.416   5.685   5.685
  280    HA   GLU  36           HA       GLU  36 -20.162   7.324   7.324
  281   1HB   GLU  36          2HB       GLU  36 -22.451   7.638   7.638
  282   2HB   GLU  36          3HB       GLU  36 -22.209   9.043   9.043
  283   1HG   GLU  36          2HG       GLU  36 -19.930   7.726   7.726
  284   2HG   GLU  36          3HG       GLU  36 -20.908   9.012   9.012
  285    H    THR  37           HN       THR  37 -23.640   6.679   6.679
  286    HA   THR  37           HA       THR  37 -23.465   8.424   8.424
  287    HB   THR  37           HB       THR  37 -25.898   8.240   8.240
  288    HG1  THR  37           HG1      THR  37 -26.831   6.553   6.553
  289   1HG2  THR  37          2HG2      THR  37 -24.851   9.564   9.564
  290   2HG2  THR  37          3HG2      THR  37 -25.101   8.104   8.104
  291   3HG2  THR  37          1HG2      THR  37 -26.498   8.949   8.949
  292    H    THR  38           HN       THR  38 -24.310   5.000   5.000
  293    HA   THR  38           HA       THR  38 -24.056   4.336   4.336
  294    HB   THR  38           HB       THR  38 -25.054   2.884   2.884
  295    HG1  THR  38           HG1      THR  38 -26.985   3.499   3.499
  296   1HG2  THR  38          2HG2      THR  38 -23.996   1.660   1.660
  297   2HG2  THR  38          3HG2      THR  38 -25.764   1.663   1.663
  298   3HG2  THR  38          1HG2      THR  38 -25.037   0.896   0.896
  299    H    LYS  39           HN       LYS  39 -21.695   5.013   5.013
  300    HA   LYS  39           HA       LYS  39 -19.855   3.636   3.636
  301   1HB   LYS  39          2HB       LYS  39 -19.821   5.157   5.157
  302   2HB   LYS  39          3HB       LYS  39 -18.439   4.130   4.130
  303   1HG   LYS  39          2HG       LYS  39 -18.698   5.298   5.298
  304   2HG   LYS  39          3HG       LYS  39 -19.377   6.575   6.575
  305   1HD   LYS  39          2HD       LYS  39 -16.902   5.449   5.449
  306   2HD   LYS  39          3HD       LYS  39 -16.648   6.111   6.111
  307   1HE   LYS  39          2HE       LYS  39 -17.725   8.258   8.258
  308   2HE   LYS  39          3HE       LYS  39 -17.969   7.595   7.595
  309   1HZ   LYS  39          1HZ       LYS  39 -15.281   7.399   7.399
  310   2HZ   LYS  39          2HZ       LYS  39 -15.805   8.930   8.930
  311   3HZ   LYS  39          3HZ       LYS  39 -15.831   7.874   7.874
  312    H    GLY  40           HN       GLY  40 -18.450   1.819   1.819
  313   1HA   GLY  40          1HA       GLY  40 -17.868  -0.069  -0.069
  314   2HA   GLY  40          2HA       GLY  40 -19.400   0.002   0.002
  315    H    SER  41           HN       SER  41 -20.691   0.618   0.618
  316    HA   SER  41           HA       SER  41 -20.762  -2.191  -2.191
  317   1HB   SER  41          2HB       SER  41 -22.875  -0.006  -0.006
  318   2HB   SER  41          3HB       SER  41 -23.042  -1.495  -1.495
  319    HG   SER  41           HG       SER  41 -24.049  -1.437  -1.437
  320    H    TYR  42           HN       TYR  42 -20.915  -2.672  -2.672
  321    HA   TYR  42           HA       TYR  42 -19.682  -0.535  -0.535
  322   1HB   TYR  42          2HB       TYR  42 -19.663  -3.574  -3.574
  323   2HB   TYR  42          3HB       TYR  42 -19.395  -2.866  -2.866
  324    HD1  TYR  42           HD2      TYR  42 -18.126  -2.729  -2.729
  325    HD2  TYR  42           HD1      TYR  42 -17.240  -2.197  -2.197
  326    HE1  TYR  42           HE2      TYR  42 -15.668  -2.396  -2.396
  327    HE2  TYR  42           HE1      TYR  42 -14.785  -1.866  -1.866
  328    HH   TYR  42           HH       TYR  42 -13.602  -2.419  -2.419
  329    H    SER  43           HN       SER  43 -20.274  -0.529  -0.529
  330    HA   SER  43           HA       SER  43 -22.922  -1.582  -1.582
  331   1HB   SER  43          2HB       SER  43 -22.276   1.325   1.325
  332   2HB   SER  43          3HB       SER  43 -23.834   0.531   0.531
  333    HG   SER  43           HG       SER  43 -23.918   0.349   0.349
  334    H    LEU  44           HN       LEU  44 -22.913  -2.580  -2.580
  335    HA   LEU  44           HA       LEU  44 -20.721  -1.898  -1.898
  336   1HB   LEU  44          2HB       LEU  44 -20.726  -4.176  -4.176
  337   2HB   LEU  44          3HB       LEU  44 -22.469  -4.307  -4.307
  338    HG   LEU  44           HG       LEU  44 -22.258  -3.895  -3.895
  339   1HD1  LEU  44          1HD1      LEU  44 -19.698  -3.085  -3.085
  340   2HD1  LEU  44          2HD1      LEU  44 -19.444  -4.709  -4.709
  341   3HD1  LEU  44          3HD1      LEU  44 -20.318  -3.474  -3.474
  342   1HD2  LEU  44          2HD2      LEU  44 -22.285  -6.185  -6.185
  343   2HD2  LEU  44          3HD2      LEU  44 -22.035  -6.127  -6.127
  344   3HD2  LEU  44          1HD2      LEU  44 -20.642  -6.328  -6.328
  345    H    SER  45           HN       SER  45 -21.105  -1.465  -1.465
  346    HA   SER  45           HA       SER  45 -23.877  -0.889  -0.889
  347   1HB   SER  45          2HB       SER  45 -21.721   1.073   1.073
  348   2HB   SER  45          3HB       SER  45 -23.453   1.327   1.327
  349    HG   SER  45           HG       SER  45 -23.130   0.933   0.933
  350    H    VAL  46           HN       VAL  46 -24.422  -1.583  -1.583
  351    HA   VAL  46           HA       VAL  46 -22.237  -1.970  -1.970
  352    HB   VAL  46           HB       VAL  46 -24.351  -4.051  -4.051
  353   1HG1  VAL  46          2HG1      VAL  46 -21.816  -4.120  -4.120
  354   2HG1  VAL  46          3HG1      VAL  46 -22.898  -5.502  -5.502
  355   3HG1  VAL  46          1HG1      VAL  46 -23.488  -4.089  -4.089
  356   1HG2  VAL  46          3HG2      VAL  46 -22.743  -3.708  -3.708
  357   2HG2  VAL  46          1HG2      VAL  46 -22.734  -5.338  -5.338
  358   3HG2  VAL  46          2HG2      VAL  46 -21.433  -4.187  -4.187
  359    H    ARG  47           HN       ARG  47 -22.893  -1.810  -1.810
  360    HA   ARG  47           HA       ARG  47 -25.144  -0.135  -0.135
  361   1HB   ARG  47          2HB       ARG  47 -22.859  -0.205  -0.205
  362   2HB   ARG  47          3HB       ARG  47 -23.650  -1.430  -1.430
  363   1HG   ARG  47          2HG       ARG  47 -24.692   0.199   0.199
  364   2HG   ARG  47          3HG       ARG  47 -25.542   0.692   0.692
  365   1HD   ARG  47          2HD       ARG  47 -24.102   2.465   2.465
  366   2HD   ARG  47          3HD       ARG  47 -22.701   1.621   1.621
  367    HE   ARG  47           HE       ARG  47 -23.109   2.591   2.591
  368   1HH1  ARG  47          2HH2      ARG  47 -26.102   2.607   2.607
  369   2HH1  ARG  47          1HH2      ARG  47 -26.985   3.500   3.500
  370   1HH2  ARG  47          2HH1      ARG  47 -24.274   3.769   3.769
  371   2HH2  ARG  47          1HH1      ARG  47 -25.938   4.166   4.166
  372    H    ASP  48           HN       ASP  48 -27.113  -0.580  -0.580
  373    HA   ASP  48           HA       ASP  48 -27.464  -3.271  -3.271
  374   1HB   ASP  48          2HB       ASP  48 -28.141  -3.060  -3.060
  375   2HB   ASP  48          3HB       ASP  48 -29.484  -2.090  -2.090
  376    H    TYR  49           HN       TYR  49 -29.750  -3.413  -3.413
  377    HA   TYR  49           HA       TYR  49 -30.671  -0.754  -0.754
  378   1HB   TYR  49          2HB       TYR  49 -29.019  -2.045  -2.045
  379   2HB   TYR  49          3HB       TYR  49 -30.285  -3.244  -3.244
  380    HD1  TYR  49           HD1      TYR  49 -29.325   0.248   0.248
  381    HD2  TYR  49           HD2      TYR  49 -32.230  -2.829  -2.829
  382    HE1  TYR  49           HE1      TYR  49 -30.360   1.602   1.602
  383    HE2  TYR  49           HE2      TYR  49 -33.254  -1.465  -1.465
  384    HH   TYR  49           HH       TYR  49 -32.285   0.361   0.361
  385    H    ASP  50           HN       ASP  50 -32.894  -0.672  -0.672
  386    HA   ASP  50           HA       ASP  50 -34.368  -3.109  -3.109
  387   1HB   ASP  50          2HB       ASP  50 -34.635  -0.384  -0.384
  388   2HB   ASP  50          3HB       ASP  50 -36.144  -1.153  -1.153
  389    HA   PRO  51           HA       PRO  51 -36.316  -1.940  -1.940
  390   1HB   PRO  51          2HB       PRO  51 -38.537  -3.531  -3.531
  391   2HB   PRO  51          3HB       PRO  51 -36.959  -4.108  -4.108
  392   1HG   PRO  51          2HG       PRO  51 -38.394  -4.592  -4.592
  393   2HG   PRO  51          3HG       PRO  51 -37.045  -5.477  -5.477
  394   1HD   PRO  51          2HD       PRO  51 -36.940  -3.580  -3.580
  395   2HD   PRO  51          3HD       PRO  51 -35.578  -4.378  -4.378
  396    H    ARG  52           HN       ARG  52 -37.481  -1.135  -1.135
  397    HA   ARG  52           HA       ARG  52 -39.732   0.250   0.250
  398   1HB   ARG  52          2HB       ARG  52 -38.992  -0.639  -0.639
  399   2HB   ARG  52          3HB       ARG  52 -39.983   0.799   0.799
  400   1HG   ARG  52          2HG       ARG  52 -41.828  -0.414  -0.414
  401   2HG   ARG  52          3HG       ARG  52 -40.973  -1.278  -1.278
  402   1HD   ARG  52          2HD       ARG  52 -40.049  -2.870  -2.870
  403   2HD   ARG  52          3HD       ARG  52 -40.741  -1.957  -1.957
  404    HE   ARG  52           HE       ARG  52 -42.775  -2.736  -2.736
  405   1HH1  ARG  52          2HH2      ARG  52 -40.860  -3.908  -3.908
  406   2HH1  ARG  52          1HH2      ARG  52 -42.007  -5.125  -5.125
  407   1HH2  ARG  52          2HH1      ARG  52 -44.289  -4.342  -4.342
  408   2HH2  ARG  52          1HH1      ARG  52 -43.971  -5.374  -5.374
  409    H    GLN  53           HN       GLN  53 -37.096   0.864   0.864
  410    HA   GLN  53           HA       GLN  53 -37.332   3.671   3.671
  411   1HB   GLN  53          2HB       GLN  53 -35.480   1.996   1.996
  412   2HB   GLN  53          3HB       GLN  53 -35.387   3.744   3.744
  413   1HG   GLN  53          2HG       GLN  53 -38.155   3.053   3.053
  414   2HG   GLN  53          3HG       GLN  53 -37.218   2.106   2.106
  415   1HE2  GLN  53          2HE2      GLN  53 -37.809   5.041   5.041
  416   2HE2  GLN  53          1HE2      GLN  53 -38.500   3.531   3.531
  417    H    GLY  54           HN       GLY  54 -34.623   1.248   1.248
  418   1HA   GLY  54          1HA       GLY  54 -33.594   1.258   1.258
  419   2HA   GLY  54          2HA       GLY  54 -33.431   2.989   2.989
  420    H    ASP  55           HN       ASP  55 -31.258   3.372   3.372
  421    HA   ASP  55           HA       ASP  55 -29.568   1.515   1.515
  422   1HB   ASP  55          2HB       ASP  55 -28.861   4.445   4.445
  423   2HB   ASP  55          3HB       ASP  55 -27.851   3.056   3.056
  424    H    THR  56           HN       THR  56 -29.745   1.072   1.072
  425    HA   THR  56           HA       THR  56 -29.954   3.396   3.396
  426    HB   THR  56           HB       THR  56 -31.621   2.281   2.281
  427    HG1  THR  56           HG1      THR  56 -30.554  -0.038  -0.038
  428   1HG2  THR  56          3HG2      THR  56 -32.175   2.492   2.492
  429   2HG2  THR  56          1HG2      THR  56 -32.359   0.738   0.738
  430   3HG2  THR  56          2HG2      THR  56 -33.340   1.873   1.873
  431    H    VAL  57           HN       VAL  57 -29.271   2.724   2.724
  432    HA   VAL  57           HA       VAL  57 -26.964   0.922   0.922
  433    HB   VAL  57           HB       VAL  57 -27.024   3.533   3.533
  434   1HG1  VAL  57          1HG1      VAL  57 -25.457   1.473   1.473
  435   2HG1  VAL  57          2HG1      VAL  57 -24.523   2.097   2.097
  436   3HG1  VAL  57          3HG1      VAL  57 -24.836   3.141   3.141
  437   1HG2  VAL  57          2HG2      VAL  57 -27.168   3.732   3.732
  438   2HG2  VAL  57          3HG2      VAL  57 -25.836   4.590   4.590
  439   3HG2  VAL  57          1HG2      VAL  57 -25.523   3.052   3.052
  440    H    LYS  58           HN       LYS  58 -27.021  -0.701  -0.701
  441    HA   LYS  58           HA       LYS  58 -29.023  -0.515  -0.515
  442   1HB   LYS  58          2HB       LYS  58 -27.417  -2.768  -2.768
  443   2HB   LYS  58          3HB       LYS  58 -28.285  -2.976  -2.976
  444   1HG   LYS  58          2HG       LYS  58 -29.717  -1.786  -1.786
  445   2HG   LYS  58          3HG       LYS  58 -29.481  -3.520  -3.520
  446   1HD   LYS  58          2HD       LYS  58 -31.542  -3.318  -3.318
  447   2HD   LYS  58          3HD       LYS  58 -30.456  -3.257  -3.257
  448   1HE   LYS  58          2HE       LYS  58 -30.884  -1.028  -1.028
  449   2HE   LYS  58          3HE       LYS  58 -30.975  -0.613  -0.613
  450   1HZ   LYS  58          1HZ       LYS  58 -33.070  -2.187  -2.187
  451   2HZ   LYS  58          2HZ       LYS  58 -33.098  -0.554  -0.554
  452   3HZ   LYS  58          3HZ       LYS  58 -33.154  -1.383  -1.383
  453    H    HIS  59           HN       HIS  59 -28.459  -1.192  -1.192
  454    HA   HIS  59           HA       HIS  59 -25.661  -0.859  -0.859
  455   1HB   HIS  59          2HB       HIS  59 -27.836   0.975   0.975
  456   2HB   HIS  59          3HB       HIS  59 -26.245   0.835   0.835
  457    HD1  HIS  59           HD1      HIS  59 -24.641   2.574   2.574
  458    HD2  HIS  59           HD2      HIS  59 -27.522   1.682   1.682
  459    HE1  HIS  59           HE1      HIS  59 -24.169   4.127   4.127
  460    H    TYR  60           HN       TYR  60 -25.219  -2.633  -2.633
  461    HA   TYR  60           HA       TYR  60 -27.393  -3.751  -3.751
  462   1HB   TYR  60          2HB       TYR  60 -24.604  -4.708  -4.708
  463   2HB   TYR  60          3HB       TYR  60 -25.709  -5.700  -5.700
  464    HD1  TYR  60           HD2      TYR  60 -27.749  -6.626  -6.626
  465    HD2  TYR  60           HD1      TYR  60 -24.959  -4.312  -4.312
  466    HE1  TYR  60           HE2      TYR  60 -28.798  -7.468  -7.468
  467    HE2  TYR  60           HE1      TYR  60 -26.017  -5.163  -5.163
  468    HH   TYR  60           HH       TYR  60 -27.414  -6.591  -6.591
  469    H    LYS  61           HN       LYS  61 -26.994  -4.431  -4.431
  470    HA   LYS  61           HA       LYS  61 -25.010  -2.696  -2.696
  471   1HB   LYS  61          2HB       LYS  61 -26.368  -2.937  -2.937
  472   2HB   LYS  61          3HB       LYS  61 -27.319  -2.322  -2.322
  473   1HG   LYS  61          2HG       LYS  61 -28.757  -4.063  -4.063
  474   2HG   LYS  61          3HG       LYS  61 -27.452  -5.202  -5.202
  475   1HD   LYS  61          2HD       LYS  61 -27.791  -5.892  -5.892
  476   2HD   LYS  61          3HD       LYS  61 -27.013  -4.403  -4.403
  477   1HE   LYS  61          2HE       LYS  61 -28.989  -4.037  -4.037
  478   2HE   LYS  61          3HE       LYS  61 -29.540  -3.456  -3.456
  479   1HZ   LYS  61          3HZ       LYS  61 -30.251  -5.768  -5.768
  480   2HZ   LYS  61          1HZ       LYS  61 -29.910  -6.150  -6.150
  481   3HZ   LYS  61          2HZ       LYS  61 -31.068  -5.047  -5.047
  482    H    ILE  62           HN       ILE  62 -23.186  -3.559  -3.559
  483    HA   ILE  62           HA       ILE  62 -23.058  -6.472  -6.472
  484    HB   ILE  62           HB       ILE  62 -20.963  -4.307  -4.307
  485   1HG1  ILE  62          2HG1      ILE  62 -21.195  -6.572  -6.572
  486   2HG1  ILE  62          3HG1      ILE  62 -22.335  -5.247  -5.247
  487   1HG2  ILE  62          3HG2      ILE  62 -20.769  -7.032  -7.032
  488   2HG2  ILE  62          1HG2      ILE  62 -19.638  -6.713  -6.713
  489   3HG2  ILE  62          2HG2      ILE  62 -19.623  -5.674  -5.674
  490   1HD1  ILE  62          2HD1      ILE  62 -19.487  -4.432  -4.432
  491   2HD1  ILE  62          3HD1      ILE  62 -19.869  -5.228  -5.228
  492   3HD1  ILE  62          1HD1      ILE  62 -20.737  -3.749  -3.749
  493    H    ARG  63           HN       ARG  63 -23.683  -7.326  -7.326
  494    HA   ARG  63           HA       ARG  63 -23.287  -5.736  -5.736
  495   1HB   ARG  63          2HB       ARG  63 -24.821  -8.255  -8.255
  496   2HB   ARG  63          3HB       ARG  63 -24.430  -7.955  -7.955
  497   1HG   ARG  63          2HG       ARG  63 -25.767  -5.846  -5.846
  498   2HG   ARG  63          3HG       ARG  63 -26.694  -7.039  -7.039
  499   1HD   ARG  63          2HD       ARG  63 -25.309  -6.241  -6.241
  500   2HD   ARG  63          3HD       ARG  63 -24.903  -4.847  -4.847
  501    HE   ARG  63           HE       ARG  63 -27.691  -5.112  -5.112
  502   1HH1  ARG  63          2HH2      ARG  63 -25.378  -4.620  -4.620
  503   2HH1  ARG  63          1HH2      ARG  63 -26.494  -3.747  -3.747
  504   1HH2  ARG  63          2HH1      ARG  63 -29.163  -3.962  -3.962
  505   2HH2  ARG  63          1HH1      ARG  63 -28.661  -3.371  -3.371
  506    H    THR  64           HN       THR  64 -22.258  -6.722  -6.722
  507    HA   THR  64           HA       THR  64 -20.004  -8.418  -8.418
  508    HB   THR  64           HB       THR  64 -18.938  -7.459  -7.459
  509    HG1  THR  64           HG1      THR  64 -20.291  -6.140  -6.140
  510   1HG2  THR  64          3HG2      THR  64 -20.446  -5.430  -5.430
  511   2HG2  THR  64          1HG2      THR  64 -19.286  -4.942  -4.942
  512   3HG2  THR  64          2HG2      THR  64 -18.735  -5.904  -5.904
  513    H    LEU  65           HN       LEU  65 -19.287 -10.152 -10.152
  514    HA   LEU  65           HA       LEU  65 -21.581 -11.644 -11.644
  515   1HB   LEU  65          2HB       LEU  65 -18.685 -12.202 -12.202
  516   2HB   LEU  65          3HB       LEU  65 -19.597 -13.288 -13.288
  517    HG   LEU  65           HG       LEU  65 -20.259 -12.599 -12.599
  518   1HD1  LEU  65          3HD1      LEU  65 -18.372 -14.415 -14.415
  519   2HD1  LEU  65          1HD1      LEU  65 -19.740 -15.382 -15.382
  520   3HD1  LEU  65          2HD1      LEU  65 -18.910 -14.244 -14.244
  521   1HD2  LEU  65          3HD2      LEU  65 -21.796 -13.954 -13.954
  522   2HD2  LEU  65          1HD2      LEU  65 -22.344 -13.141 -13.141
  523   3HD2  LEU  65          2HD2      LEU  65 -21.729 -14.810 -14.810
  524    H    ASP  66           HN       ASP  66 -20.671 -13.102 -13.102
  525    HA   ASP  66           HA       ASP  66 -21.304 -11.528 -11.528
  526   1HB   ASP  66          2HB       ASP  66 -19.427 -13.939 -13.939
  527   2HB   ASP  66          3HB       ASP  66 -20.183 -13.291 -13.291
  528    H    ASN  67           HN       ASN  67 -17.951 -12.832 -12.832
  529    HA   ASN  67           HA       ASN  67 -16.909 -10.238 -10.238
  530   1HB   ASN  67          2HB       ASN  67 -15.116 -11.422 -11.422
  531   2HB   ASN  67          3HB       ASN  67 -16.722 -11.532 -11.532
  532   1HD2  ASN  67          2HD2      ASN  67 -14.620 -14.831 -14.831
  533   2HD2  ASN  67          1HD2      ASN  67 -14.017 -13.212 -13.212
  534    H    GLY  68           HN       GLY  68 -17.015 -10.805 -10.805
  535   1HA   GLY  68          1HA       GLY  68 -14.905 -10.568 -10.568
  536   2HA   GLY  68          2HA       GLY  68 -14.486 -12.151 -12.151
  537    H    GLY  69           HN       GLY  69 -15.621 -10.676 -10.676
  538   1HA   GLY  69          1HA       GLY  69 -16.162 -12.292 -12.292
  539   2HA   GLY  69          2HA       GLY  69 -17.384 -12.947 -12.947
  540    H    PHE  70           HN       PHE  70 -17.397 -11.443 -11.443
  541    HA   PHE  70           HA       PHE  70 -19.450  -9.505  -9.505
  542   1HB   PHE  70          2HB       PHE  70 -17.599  -9.409  -9.409
  543   2HB   PHE  70          3HB       PHE  70 -18.630  -8.113  -8.113
  544    HD1  PHE  70           HD2      PHE  70 -18.089  -7.129  -7.129
  545    HD2  PHE  70           HD1      PHE  70 -15.370  -9.516  -9.516
  546    HE1  PHE  70           HE2      PHE  70 -16.182  -6.203  -6.203
  547    HE2  PHE  70           HE1      PHE  70 -13.463  -8.589  -8.589
  548   1HZ   PHE  70           HZ       PHE  70 -13.891  -6.944  -6.944
  549    H    TYR  71           HN       TYR  71 -21.444  -9.917  -9.917
  550    HA   TYR  71           HA       TYR  71 -21.564 -11.424 -11.424
  551   1HB   TYR  71          2HB       TYR  71 -23.372 -12.782 -12.782
  552   2HB   TYR  71          3HB       TYR  71 -21.911 -12.902 -12.902
  553    HD1  TYR  71           HD2      TYR  71 -21.752 -11.820 -11.820
  554    HD2  TYR  71           HD1      TYR  71 -25.330 -11.571 -11.571
  555    HE1  TYR  71           HE2      TYR  71 -23.040 -11.028 -11.028
  556    HE2  TYR  71           HE1      TYR  71 -26.605 -10.780 -10.780
  557    HH   TYR  71           HH       TYR  71 -24.991  -9.818  -9.818
  558    H    ILE  72           HN       ILE  72 -23.340 -10.918 -10.918
  559    HA   ILE  72           HA       ILE  72 -24.689  -8.448  -8.448
  560    HB   ILE  72           HB       ILE  72 -24.088  -9.743  -9.743
  561   1HG1  ILE  72          2HG1      ILE  72 -23.367  -7.049  -7.049
  562   2HG1  ILE  72          3HG1      ILE  72 -22.295  -8.427  -8.427
  563   1HG2  ILE  72          2HG2      ILE  72 -25.930  -7.397  -7.397
  564   2HG2  ILE  72          3HG2      ILE  72 -25.313  -7.878  -7.878
  565   3HG2  ILE  72          1HG2      ILE  72 -26.376  -8.977  -8.977
  566   1HD1  ILE  72          3HD1      ILE  72 -22.971  -8.327  -8.327
  567   2HD1  ILE  72          1HD1      ILE  72 -23.427  -6.653  -6.653
  568   3HD1  ILE  72          2HD1      ILE  72 -21.752  -7.201  -7.201
  569    H    SER  73           HN       SER  73 -25.288 -11.749 -11.749
  570    HA   SER  73           HA       SER  73 -28.064 -11.369 -11.369
  571   1HB   SER  73          2HB       SER  73 -27.669 -11.745 -11.745
  572   2HB   SER  73          3HB       SER  73 -26.946 -13.297 -13.297
  573    HG   SER  73           HG       SER  73 -29.132 -13.645 -13.645
  574    HA   PRO  74           HA       PRO  74 -27.411 -14.635 -14.635
  575   1HB   PRO  74          2HB       PRO  74 -29.981 -15.426 -15.426
  576   2HB   PRO  74          3HB       PRO  74 -29.248 -14.029 -14.029
  577   1HG   PRO  74          2HG       PRO  74 -31.236 -14.115 -14.115
  578   2HG   PRO  74          3HG       PRO  74 -30.815 -12.776 -12.776
  579   1HD   PRO  74          2HD       PRO  74 -30.007 -13.139 -13.139
  580   2HD   PRO  74          3HD       PRO  74 -29.493 -11.862 -11.862
  581    H    ARG  75           HN       ARG  75 -26.502 -15.493 -15.493
  582    HA   ARG  75           HA       ARG  75 -27.643 -18.153 -18.153
  583   1HB   ARG  75          2HB       ARG  75 -26.963 -16.524 -16.524
  584   2HB   ARG  75          3HB       ARG  75 -27.444 -18.209 -18.209
  585   1HG   ARG  75          2HG       ARG  75 -29.239 -16.216 -16.216
  586   2HG   ARG  75          3HG       ARG  75 -29.237 -16.249 -16.249
  587   1HD   ARG  75          2HD       ARG  75 -29.387 -18.964 -18.964
  588   2HD   ARG  75          3HD       ARG  75 -30.339 -18.226 -18.226
  589    HE   ARG  75           HE       ARG  75 -31.222 -16.959 -16.959
  590   1HH1  ARG  75          2HH2      ARG  75 -30.992 -20.300 -20.300
  591   2HH1  ARG  75          1HH2      ARG  75 -32.345 -20.832 -20.832
  592   1HH2  ARG  75          2HH1      ARG  75 -33.007 -17.660 -17.660
  593   2HH2  ARG  75          1HH1      ARG  75 -33.499 -19.320 -19.320
  594    H    SER  76           HN       SER  76 -25.078 -16.147 -16.147
  595    HA   SER  76           HA       SER  76 -23.176 -18.175 -18.175
  596   1HB   SER  76          2HB       SER  76 -23.003 -16.541 -16.541
  597   2HB   SER  76          3HB       SER  76 -21.904 -17.812 -17.812
  598    HG   SER  76           HG       SER  76 -24.045 -19.155 -19.155
  599    H    THR  77           HN       THR  77 -21.809 -17.318 -17.318
  600    HA   THR  77           HA       THR  77 -21.345 -14.419 -14.419
  601    HB   THR  77           HB       THR  77 -20.961 -14.622 -14.622
  602    HG1  THR  77           HG1      THR  77 -21.060 -17.508 -17.508
  603   1HG2  THR  77          3HG2      THR  77 -23.074 -16.699 -16.699
  604   2HG2  THR  77          1HG2      THR  77 -22.854 -16.050 -16.050
  605   3HG2  THR  77          2HG2      THR  77 -23.373 -14.974 -14.974
  606    H    PHE  78           HN       PHE  78 -19.111 -13.708 -13.708
  607    HA   PHE  78           HA       PHE  78 -17.079 -15.588 -15.588
  608   1HB   PHE  78          2HB       PHE  78 -17.279 -12.606 -12.606
  609   2HB   PHE  78          3HB       PHE  78 -16.119 -13.746 -13.746
  610    HD1  PHE  78           HD2      PHE  78 -19.636 -12.685 -12.685
  611    HD2  PHE  78           HD1      PHE  78 -16.714 -15.237 -15.237
  612    HE1  PHE  78           HE2      PHE  78 -21.184 -13.164 -13.164
  613    HE2  PHE  78           HE1      PHE  78 -18.262 -15.716 -15.716
  614   1HZ   PHE  78           HZ       PHE  78 -20.478 -14.674 -14.674
  615    H    SER  79           HN       SER  79 -15.078 -15.415 -15.415
  616    HA   SER  79           HA       SER  79 -15.195 -14.019 -14.019
  617   1HB   SER  79          2HB       SER  79 -13.032 -15.693 -15.693
  618   2HB   SER  79          3HB       SER  79 -12.825 -14.974 -14.974
  619    HG   SER  79           HG       SER  79 -14.131 -16.445 -16.445
  620    H    THR  80           HN       THR  80 -13.919 -13.454 -13.454
  621    HA   THR  80           HA       THR  80 -12.797 -10.915 -10.915
  622    HB   THR  80           HB       THR  80 -10.890 -11.335 -11.335
  623    HG1  THR  80           HG1      THR  80 -11.986 -14.042 -14.042
  624   1HG2  THR  80          2HG2      THR  80 -11.365 -13.058 -13.058
  625   2HG2  THR  80          3HG2      THR  80  -9.992 -13.458 -13.458
  626   3HG2  THR  80          1HG2      THR  80 -10.086 -11.854 -11.854
  627    H    LEU  81           HN       LEU  81 -12.769  -9.211  -9.211
  628    HA   LEU  81           HA       LEU  81 -15.080  -9.371  -9.371
  629   1HB   LEU  81          2HB       LEU  81 -13.063  -7.242  -7.242
  630   2HB   LEU  81          3HB       LEU  81 -14.249  -7.007  -7.007
  631    HG   LEU  81           HG       LEU  81 -15.042  -7.752  -7.752
  632   1HD1  LEU  81          3HD1      LEU  81 -13.695  -5.686  -5.686
  633   2HD1  LEU  81          1HD1      LEU  81 -14.795  -4.948  -4.948
  634   3HD1  LEU  81          2HD1      LEU  81 -15.401  -5.405  -5.405
  635   1HD2  LEU  81          2HD2      LEU  81 -16.478  -7.550  -7.550
  636   2HD2  LEU  81          3HD2      LEU  81 -17.126  -7.721  -7.721
  637   3HD2  LEU  81          1HD2      LEU  81 -16.901  -6.102  -6.102
  638    H    GLN  82           HN       GLN  82 -11.625  -9.896  -9.896
  639    HA   GLN  82           HA       GLN  82 -11.480  -9.360  -9.360
  640   1HB   GLN  82          2HB       GLN  82  -9.513  -9.479  -9.479
  641   2HB   GLN  82          3HB       GLN  82  -9.756 -11.206 -11.206
  642   1HG   GLN  82          2HG       GLN  82  -8.021 -10.795 -10.795
  643   2HG   GLN  82          3HG       GLN  82  -9.424 -11.508 -11.508
  644   1HE2  GLN  82          2HE2      GLN  82  -7.993  -7.888  -7.888
  645   2HE2  GLN  82          1HE2      GLN  82  -7.238  -8.953  -8.953
  646    H    GLU  83           HN       GLU  83 -12.491 -12.170 -12.170
  647    HA   GLU  83           HA       GLU  83 -12.425 -13.912 -13.912
  648   1HB   GLU  83          2HB       GLU  83 -13.642 -14.299 -14.299
  649   2HB   GLU  83          3HB       GLU  83 -13.430 -15.563 -15.563
  650   1HG   GLU  83          2HG       GLU  83 -11.114 -13.890 -13.890
  651   2HG   GLU  83          3HG       GLU  83 -11.602 -15.413 -15.413
  652    H    LEU  84           HN       LEU  84 -14.676 -11.683 -11.683
  653    HA   LEU  84           HA       LEU  84 -17.021 -12.891 -12.891
  654   1HB   LEU  84          2HB       LEU  84 -17.394 -11.736 -11.736
  655   2HB   LEU  84          3HB       LEU  84 -16.365 -10.393 -10.393
  656    HG   LEU  84           HG       LEU  84 -18.876 -10.878 -10.878
  657   1HD1  LEU  84          1HD1      LEU  84 -18.986 -10.701 -10.701
  658   2HD1  LEU  84          2HD1      LEU  84 -19.291  -9.036  -9.036
  659   3HD1  LEU  84          3HD1      LEU  84 -20.310 -10.370 -10.370
  660   1HD2  LEU  84          3HD2      LEU  84 -17.207  -8.467  -8.467
  661   2HD2  LEU  84          1HD2      LEU  84 -17.499  -9.173  -9.173
  662   3HD2  LEU  84          2HD2      LEU  84 -18.818  -8.343  -8.343
  663    H    VAL  85           HN       VAL  85 -14.658 -10.389 -10.389
  664    HA   VAL  85           HA       VAL  85 -16.247  -9.468  -9.468
  665    HB   VAL  85           HB       VAL  85 -13.410  -9.069  -9.069
  666   1HG1  VAL  85          2HG1      VAL  85 -14.684  -8.161  -8.161
  667   2HG1  VAL  85          3HG1      VAL  85 -13.348  -7.261  -7.261
  668   3HG1  VAL  85          1HG1      VAL  85 -13.110  -8.951  -8.951
  669   1HG2  VAL  85          2HG2      VAL  85 -15.983  -7.646  -7.646
  670   2HG2  VAL  85          3HG2      VAL  85 -14.540  -7.604  -7.604
  671   3HG2  VAL  85          1HG2      VAL  85 -14.602  -6.611  -6.611
  672    H    ASP  86           HN       ASP  86 -13.891 -12.045 -12.045
  673    HA   ASP  86           HA       ASP  86 -13.348 -12.441 -12.441
  674   1HB   ASP  86          2HB       ASP  86 -12.766 -13.895 -13.895
  675   2HB   ASP  86          3HB       ASP  86 -12.568 -14.777 -14.777
  676    H    HIS  87           HN       HIS  87 -15.587 -13.696 -13.696
  677    HA   HIS  87           HA       HIS  87 -16.466 -15.922 -15.922
  678   1HB   HIS  87          2HB       HIS  87 -16.595 -15.408 -15.408
  679   2HB   HIS  87          3HB       HIS  87 -18.082 -14.572 -14.572
  680    HD1  HIS  87           HD1      HIS  87 -16.534 -18.045 -18.045
  681    HD2  HIS  87           HD2      HIS  87 -20.275 -16.205 -16.205
  682    HE1  HIS  87           HE1      HIS  87 -18.250 -19.931 -19.931
  683    H    TYR  88           HN       TYR  88 -17.414 -12.487 -12.487
  684    HA   TYR  88           HA       TYR  88 -19.847 -12.845 -12.845
  685   1HB   TYR  88          2HB       TYR  88 -18.019 -10.616 -10.616
  686   2HB   TYR  88          3HB       TYR  88 -19.280 -10.189 -10.189
  687    HD1  TYR  88           HD2      TYR  88 -21.483 -12.007 -12.007
  688    HD2  TYR  88           HD1      TYR  88 -18.726  -9.606  -9.606
  689    HE1  TYR  88           HE2      TYR  88 -23.151 -11.849 -11.849
  690    HE2  TYR  88           HE1      TYR  88 -20.404  -9.456  -9.456
  691    HH   TYR  88           HH       TYR  88 -22.328 -10.927 -10.927
  692    H    LYS  89           HN       LYS  89 -16.446 -12.422 -12.422
  693    HA   LYS  89           HA       LYS  89 -16.949 -11.343 -11.343
  694   1HB   LYS  89          2HB       LYS  89 -14.580 -12.169 -12.169
  695   2HB   LYS  89          3HB       LYS  89 -14.401 -12.203 -12.203
  696   1HG   LYS  89          2HG       LYS  89 -15.145  -9.844  -9.844
  697   2HG   LYS  89          3HG       LYS  89 -15.443  -9.797  -9.797
  698   1HD   LYS  89          2HD       LYS  89 -13.182  -9.703  -9.703
  699   2HD   LYS  89          3HD       LYS  89 -12.696 -10.660 -10.660
  700   1HE   LYS  89          2HE       LYS  89 -13.731  -8.389  -8.389
  701   2HE   LYS  89          3HE       LYS  89 -13.033  -7.716  -7.716
  702   1HZ   LYS  89          1HZ       LYS  89 -11.056  -9.215  -9.215
  703   2HZ   LYS  89          2HZ       LYS  89 -11.707  -9.133  -9.133
  704   3HZ   LYS  89          3HZ       LYS  89 -11.257  -7.765  -7.765
  705    H    LYS  90           HN       LYS  90 -16.780 -14.534 -14.534
  706    HA   LYS  90           HA       LYS  90 -16.432 -15.878 -15.878
  707   1HB   LYS  90          2HB       LYS  90 -16.971 -16.854 -16.854
  708   2HB   LYS  90          3HB       LYS  90 -16.801 -17.921 -17.921
  709   1HG   LYS  90          2HG       LYS  90 -14.541 -16.653 -16.653
  710   2HG   LYS  90          3HG       LYS  90 -14.713 -16.075 -16.075
  711   1HD   LYS  90          2HD       LYS  90 -14.805 -19.031 -19.031
  712   2HD   LYS  90          3HD       LYS  90 -13.341 -18.211 -18.211
  713   1HE   LYS  90          2HE       LYS  90 -14.651 -17.506 -17.506
  714   2HE   LYS  90          3HE       LYS  90 -15.873 -18.661 -18.661
  715   1HZ   LYS  90          2HZ       LYS  90 -13.637 -20.091 -20.091
  716   2HZ   LYS  90          3HZ       LYS  90 -13.264 -19.137 -19.137
  717   3HZ   LYS  90          1HZ       LYS  90 -14.596 -20.080 -20.080
  718    H    GLY  91           HN       GLY  91 -19.059 -14.717 -14.717
  719   1HA   GLY  91          1HA       GLY  91 -20.991 -14.975 -14.975
  720   2HA   GLY  91          2HA       GLY  91 -21.121 -16.376 -16.376
  721    H    ASN  92           HN       ASN  92 -22.972 -14.016 -14.016
  722    HA   ASN  92           HA       ASN  92 -22.918 -12.153 -12.153
  723   1HB   ASN  92          2HB       ASN  92 -25.543 -12.605 -12.605
  724   2HB   ASN  92          3HB       ASN  92 -24.820 -12.057 -12.057
  725   1HD2  ASN  92          2HD2      ASN  92 -26.812 -15.531 -15.531
  726   2HD2  ASN  92          1HD2      ASN  92 -26.815 -14.283 -14.283
  727    H    ASP  93           HN       ASP  93 -24.204 -15.542 -15.542
  728    HA   ASP  93           HA       ASP  93 -24.832 -16.689 -16.689
  729   1HB   ASP  93          2HB       ASP  93 -22.288 -16.750 -16.750
  730   2HB   ASP  93          3HB       ASP  93 -22.332 -15.463 -15.463
  731    H    GLY  94           HN       GLY  94 -26.349 -14.399 -14.399
  732   1HA   GLY  94          1HA       GLY  94 -27.635 -13.994 -13.994
  733   2HA   GLY  94          2HA       GLY  94 -26.139 -13.275 -13.275
  734    H    LEU  95           HN       LEU  95 -25.158 -11.854 -11.854
  735    HA   LEU  95           HA       LEU  95 -26.807  -9.587  -9.587
  736   1HB   LEU  95          2HB       LEU  95 -24.431 -10.311 -10.311
  737   2HB   LEU  95          3HB       LEU  95 -25.169  -8.723  -8.723
  738    HG   LEU  95           HG       LEU  95 -23.756 -10.165 -10.165
  739   1HD1  LEU  95          1HD1      LEU  95 -22.959  -8.150  -8.150
  740   2HD1  LEU  95          2HD1      LEU  95 -22.520  -7.754  -7.754
  741   3HD1  LEU  95          3HD1      LEU  95 -21.974  -9.285  -9.285
  742   1HD2  LEU  95          2HD2      LEU  95 -25.239  -7.525  -7.525
  743   2HD2  LEU  95          3HD2      LEU  95 -25.607  -8.988  -8.988
  744   3HD2  LEU  95          1HD2      LEU  95 -24.117  -8.070  -8.070
  745    H    CYS  96           HN       CYS  96 -27.315  -8.461  -8.461
  746    HA   CYS  96           HA       CYS  96 -29.299 -10.119 -10.119
  747   1HB   CYS  96          2HB       CYS  96 -29.892  -8.190  -8.190
  748   2HB   CYS  96          3HB       CYS  96 -29.579  -7.673  -7.673
  749    HG   CYS  96           HG       CYS  96 -27.904  -6.078  -6.078
  750    H    GLN  97           HN       GLN  97 -26.028  -8.902  -8.902
  751    HA   GLN  97           HA       GLN  97 -25.928 -10.958 -10.958
  752   1HB   GLN  97          2HB       GLN  97 -25.266  -8.045  -8.045
  753   2HB   GLN  97          3HB       GLN  97 -25.023  -9.395  -9.395
  754   1HG   GLN  97          2HG       GLN  97 -27.506  -9.880  -9.880
  755   2HG   GLN  97          3HG       GLN  97 -27.708  -8.449  -8.449
  756   1HE2  GLN  97          2HE2      GLN  97 -27.328  -6.078  -6.078
  757   2HE2  GLN  97          1HE2      GLN  97 -27.292  -6.391  -6.391
  758    H    LYS  98           HN       LYS  98 -23.724 -11.600 -11.600
  759    HA   LYS  98           HA       LYS  98 -21.990 -11.538 -11.538
  760   1HB   LYS  98          2HB       LYS  98 -20.430 -12.652 -12.652
  761   2HB   LYS  98          3HB       LYS  98 -22.040 -13.250 -13.250
  762   1HG   LYS  98          2HG       LYS  98 -21.999 -11.247 -11.247
  763   2HG   LYS  98          3HG       LYS  98 -20.267 -11.477 -11.477
  764   1HD   LYS  98          2HD       LYS  98 -21.371 -14.098 -14.098
  765   2HD   LYS  98          3HD       LYS  98 -22.238 -13.142 -13.142
  766   1HE   LYS  98          2HE       LYS  98 -19.292 -12.672 -12.672
  767   2HE   LYS  98          3HE       LYS  98 -19.763 -14.290 -14.290
  768   1HZ   LYS  98          2HZ       LYS  98 -21.257 -13.267 -13.267
  769   2HZ   LYS  98          3HZ       LYS  98 -20.708 -11.785 -11.785
  770   3HZ   LYS  98          1HZ       LYS  98 -19.695 -12.870 -12.870
  771    H    LEU  99           HN       LEU  99 -19.647 -10.686 -10.686
  772    HA   LEU  99           HA       LEU  99 -19.852  -7.853  -7.853
  773   1HB   LEU  99          2HB       LEU  99 -17.959  -9.589  -9.589
  774   2HB   LEU  99          3HB       LEU  99 -17.531  -7.942  -7.942
  775    HG   LEU  99           HG       LEU  99 -19.797  -8.885  -8.885
  776   1HD1  LEU  99          1HD1      LEU  99 -17.393  -7.105  -7.105
  777   2HD1  LEU  99          2HD1      LEU  99 -18.705  -7.368  -7.368
  778   3HD1  LEU  99          3HD1      LEU  99 -17.683  -8.732  -8.732
  779   1HD2  LEU  99          1HD2      LEU  99 -19.567  -6.375  -6.375
  780   2HD2  LEU  99          2HD2      LEU  99 -21.001  -7.211  -7.211
  781   3HD2  LEU  99          3HD2      LEU  99 -20.007  -6.198  -6.198
  782    H    SER 100           HN       SER 100 -18.722  -6.752  -6.752
  783    HA   SER 100           HA       SER 100 -17.409  -8.482  -8.482
  784   1HB   SER 100          2HB       SER 100 -17.637  -6.549  -6.549
  785   2HB   SER 100          3HB       SER 100 -19.180  -7.040  -7.040
  786    HG   SER 100           HG       SER 100 -18.315  -4.607  -4.607
  787    H    VAL 101           HN       VAL 101 -16.893  -4.995  -4.995
  788    HA   VAL 101           HA       VAL 101 -14.107  -5.660  -5.660
  789    HB   VAL 101           HB       VAL 101 -13.387  -3.682  -3.682
  790   1HG1  VAL 101          3HG1      VAL 101 -14.681  -6.032  -6.032
  791   2HG1  VAL 101          1HG1      VAL 101 -14.217  -4.680  -4.680
  792   3HG1  VAL 101          2HG1      VAL 101 -12.990  -5.478  -5.478
  793   1HG2  VAL 101          3HG2      VAL 101 -16.302  -3.325  -3.325
  794   2HG2  VAL 101          1HG2      VAL 101 -14.987  -2.126  -2.126
  795   3HG2  VAL 101          2HG2      VAL 101 -15.341  -3.068  -3.068
  796    HA   PRO 102           HA       PRO 102 -14.833  -3.039  -3.039
  797   1HB   PRO 102          2HB       PRO 102 -12.294  -2.285  -2.285
  798   2HB   PRO 102          3HB       PRO 102 -12.983  -3.833  -3.833
  799   1HG   PRO 102          2HG       PRO 102 -10.987  -3.227  -3.227
  800   2HG   PRO 102          3HG       PRO 102 -11.367  -4.769  -4.769
  801   1HD   PRO 102          2HD       PRO 102 -12.173  -3.870  -3.870
  802   2HD   PRO 102          3HD       PRO 102 -12.649  -5.362  -5.362
  803    H    CYS 103           HN       CYS 103 -14.961  -0.883  -0.883
  804    HA   CYS 103           HA       CYS 103 -15.595   0.955   0.955
  805   1HB   CYS 103          2HB       CYS 103 -15.802   1.051   1.051
  806   2HB   CYS 103          3HB       CYS 103 -14.197   1.756   1.756
  807    HG   CYS 103           HG       CYS 103 -14.687   3.940   3.940
  808    H    MET 104           HN       MET 104 -14.430   2.962   2.962
  809    HA   MET 104           HA       MET 104 -11.661   2.268   2.268
  810   1HB   MET 104          2HB       MET 104 -13.729   4.055   4.055
  811   2HB   MET 104          3HB       MET 104 -12.036   4.100   4.100
  812   1HG   MET 104          2HG       MET 104 -13.707   1.541   1.541
  813   2HG   MET 104          3HG       MET 104 -13.476   2.539   2.539
  814   1HE   MET 104          2HE       MET 104 -12.896   0.003   0.003
  815   2HE   MET 104          3HE       MET 104 -11.234  -0.629  -0.629
  816   3HE   MET 104          1HE       MET 104 -12.307  -0.773  -0.773
  817    H    SER 105           HN       SER 105 -10.009   3.988   3.988
  818    HA   SER 105           HA       SER 105 -10.385   5.640   5.640
  819   1HB   SER 105          2HB       SER 105  -8.206   4.681   4.681
  820   2HB   SER 105          3HB       SER 105  -8.117   5.253   5.253
  821    HG   SER 105           HG       SER 105  -7.259   7.071   7.071
  822    H    SER 106           HN       SER 106 -11.877   7.309   7.309
  823    HA   SER 106           HA       SER 106 -10.977   9.401   9.401
  824   1HB   SER 106          2HB       SER 106 -13.450   7.787   7.787
  825   2HB   SER 106          3HB       SER 106 -13.427   9.501   9.501
  826    HG   SER 106           HG       SER 106 -11.830   7.390   7.390
  827    H    LYS 107           HN       LYS 107 -12.697  11.324  11.324
  828    HA   LYS 107           HA       LYS 107 -13.791  11.237  11.237
  829   1HB   LYS 107          2HB       LYS 107 -11.749  12.888  12.888
  830   2HB   LYS 107          3HB       LYS 107 -13.168  13.912  13.912
  831   1HG   LYS 107          2HG       LYS 107 -13.471  13.511  13.511
  832   2HG   LYS 107          3HG       LYS 107 -12.420  12.109  12.109
  833   1HD   LYS 107          2HD       LYS 107 -10.816  13.547  13.547
  834   2HD   LYS 107          3HD       LYS 107 -10.685  14.049  14.049
  835   1HE   LYS 107          2HE       LYS 107 -12.921  15.444  15.444
  836   2HE   LYS 107          3HE       LYS 107 -11.510  15.628  15.628
  837   1HZ   LYS 107          3HZ       LYS 107 -10.851  15.933  15.933
  838   2HZ   LYS 107          1HZ       LYS 107 -12.021  16.985  16.985
  839   3HZ   LYS 107          2HZ       LYS 107 -10.601  16.961  16.961

  Start of MODEL   16
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.012  -1.021  -1.021
    3   1HB   MET   1          2HB       MET   1   0.980   1.811   1.811
    4   2HB   MET   1          3HB       MET   1   2.215   1.433   1.433
    5   1HG   MET   1          2HG       MET   1   0.759   0.219   0.219
    6   2HG   MET   1          3HG       MET   1   0.205  -0.702  -0.702
    7   1HE   MET   1          1HE       MET   1  -1.893  -0.673  -0.673
    8   2HE   MET   1          2HE       MET   1  -2.479  -0.645  -0.645
    9   3HE   MET   1          3HE       MET   1  -3.233   0.405   0.405
   10    H    GLU   2           HN       GLU   2   4.179  -1.148  -1.148
   11    HA   GLU   2           HA       GLU   2   5.998   0.893   0.893
   12   1HB   GLU   2          2HB       GLU   2   7.168   0.362   0.362
   13   2HB   GLU   2          3HB       GLU   2   5.502   0.111   0.111
   14   1HG   GLU   2          2HG       GLU   2   5.769  -2.352  -2.352
   15   2HG   GLU   2          3HG       GLU   2   7.469  -2.052  -2.052
   16    H    THR   3           HN       THR   3   7.677   0.479   0.479
   17    HA   THR   3           HA       THR   3   8.364  -2.320  -2.320
   18    HB   THR   3           HB       THR   3   8.345  -1.689  -1.689
   19    HG1  THR   3           HG1      THR   3   6.745   0.452   0.452
   20   1HG2  THR   3          2HG2      THR   3   6.388  -2.920  -2.920
   21   2HG2  THR   3          3HG2      THR   3   5.614  -1.326  -1.326
   22   3HG2  THR   3          1HG2      THR   3   5.954  -1.980  -1.980
   23    H    GLU   4           HN       GLU   4  10.376  -2.299  -2.299
   24    HA   GLU   4           HA       GLU   4  12.149  -0.263  -0.263
   25   1HB   GLU   4          2HB       GLU   4  12.379  -3.196  -3.196
   26   2HB   GLU   4          3HB       GLU   4  13.781  -2.371  -2.371
   27   1HG   GLU   4          2HG       GLU   4  14.132  -2.771  -2.771
   28   2HG   GLU   4          3HG       GLU   4  13.982  -1.047  -1.047
   29    H    GLU   5           HN       GLU   5  12.755   1.224   1.224
   30    HA   GLU   5           HA       GLU   5  13.018   0.234   0.234
   31   1HB   GLU   5          2HB       GLU   5  11.984   2.897   2.897
   32   2HB   GLU   5          3HB       GLU   5  12.528   2.709   2.709
   33   1HG   GLU   5          2HG       GLU   5  10.875   0.915   0.915
   34   2HG   GLU   5          3HG       GLU   5  10.388   0.955   0.955
   35    H    TRP   6           HN       TRP   6  15.199  -0.126  -0.126
   36    HA   TRP   6           HA       TRP   6  16.876   2.224   2.224
   37   1HB   TRP   6          2HB       TRP   6  18.576   0.513   0.513
   38   2HB   TRP   6          3HB       TRP   6  17.269   1.058   1.058
   39    HD1  TRP   6           HD1      TRP   6  15.719  -0.835  -0.835
   40    HE1  TRP   6           HE1      TRP   6  15.458  -3.452  -3.452
   41    HE3  TRP   6           HE3      TRP   6  18.875  -1.346  -1.346
   42    HZ2  TRP   6           HZ2      TRP   6  16.576  -5.398  -5.398
   43    HZ3  TRP   6           HZ3      TRP   6  19.235  -3.639  -3.639
   44    HH2  TRP   6           HH2      TRP   6  18.146  -5.623  -5.623
   45    H    PHE   7           HN       PHE   7  15.957  -0.506  -0.506
   46    HA   PHE   7           HA       PHE   7  18.410  -0.321  -0.321
   47   1HB   PHE   7          2HB       PHE   7  17.730  -2.589  -2.589
   48   2HB   PHE   7          3HB       PHE   7  16.028  -2.198  -2.198
   49    HD1  PHE   7           HD1      PHE   7  19.130  -2.488  -2.488
   50    HD2  PHE   7           HD2      PHE   7  14.890  -2.645  -2.645
   51    HE1  PHE   7           HE1      PHE   7  19.133  -3.323  -3.323
   52    HE2  PHE   7           HE2      PHE   7  14.893  -3.480  -3.480
   53   1HZ   PHE   7           HZ       PHE   7  17.014  -3.809  -3.809
   54    H    PHE   8           HN       PHE   8  18.483   0.539   0.539
   55    HA   PHE   8           HA       PHE   8  15.914   1.510   1.510
   56   1HB   PHE   8          2HB       PHE   8  18.783   2.611   2.611
   57   2HB   PHE   8          3HB       PHE   8  17.544   3.264   3.264
   58    HD1  PHE   8           HD1      PHE   8  15.435   4.220   4.220
   59    HD2  PHE   8           HD2      PHE   8  18.998   3.388   3.388
   60    HE1  PHE   8           HE1      PHE   8  14.692   5.768   5.768
   61    HE2  PHE   8           HE2      PHE   8  18.256   4.935   4.935
   62   1HZ   PHE   8           HZ       PHE   8  16.111   6.107   6.107
   63    H    LYS   9           HN       LYS   9  15.860   1.761   1.761
   64    HA   LYS   9           HA       LYS   9  17.579  -0.266  -0.266
   65   1HB   LYS   9          2HB       LYS   9  15.756  -0.996  -0.996
   66   2HB   LYS   9          3HB       LYS   9  15.183  -0.955  -0.955
   67   1HG   LYS   9          2HG       LYS   9  14.781   1.630   1.630
   68   2HG   LYS   9          3HG       LYS   9  13.995   0.321   0.321
   69   1HD   LYS   9          2HD       LYS   9  12.306   0.452   0.452
   70   2HD   LYS   9          3HD       LYS   9  13.404  -0.209  -0.209
   71   1HE   LYS   9          2HE       LYS   9  13.867   1.877   1.877
   72   2HE   LYS   9          3HE       LYS   9  13.606   2.743   2.743
   73   1HZ   LYS   9          2HZ       LYS   9  11.356   1.402   1.402
   74   2HZ   LYS   9          3HZ       LYS   9  11.857   2.845   2.845
   75   3HZ   LYS   9          1HZ       LYS   9  11.357   2.715   2.715
   76    H    GLY  10           HN       GLY  10  18.241   0.155   0.155
   77   1HA   GLY  10          1HA       GLY  10  19.242   1.566   1.566
   78   2HA   GLY  10          2HA       GLY  10  17.615   2.190   2.190
   79    H    ILE  11           HN       ILE  11  20.197   2.392   2.392
   80    HA   ILE  11           HA       ILE  11  19.703   5.287   5.287
   81    HB   ILE  11           HB       ILE  11  19.459   3.490   3.490
   82   1HG1  ILE  11          2HG1      ILE  11  20.176   6.420   6.420
   83   2HG1  ILE  11          3HG1      ILE  11  18.602   5.842   5.842
   84   1HG2  ILE  11          1HG2      ILE  11  21.850   3.055   3.055
   85   2HG2  ILE  11          2HG2      ILE  11  22.181   4.796   4.796
   86   3HG2  ILE  11          3HG2      ILE  11  21.313   3.921   3.921
   87   1HD1  ILE  11          1HD1      ILE  11  19.398   4.379   4.379
   88   2HD1  ILE  11          2HD1      ILE  11  19.574   6.125   6.125
   89   3HD1  ILE  11          3HD1      ILE  11  18.005   5.464   5.464
   90    H    SER  12           HN       SER  12  21.708   6.599   6.599
   91    HA   SER  12           HA       SER  12  23.990   5.383   5.383
   92   1HB   SER  12          2HB       SER  12  24.500   7.434   7.434
   93   2HB   SER  12          3HB       SER  12  22.748   7.435   7.435
   94    HG   SER  12           HG       SER  12  23.018   9.360   9.360
   95    H    ARG  13           HN       ARG  13  26.156   6.576   6.576
   96    HA   ARG  13           HA       ARG  13  26.238   6.291   6.291
   97   1HB   ARG  13          2HB       ARG  13  28.123   5.422   5.422
   98   2HB   ARG  13          3HB       ARG  13  28.314   6.903   6.903
   99   1HG   ARG  13          2HG       ARG  13  28.529   7.129   7.129
  100   2HG   ARG  13          3HG       ARG  13  29.839   6.306   6.306
  101   1HD   ARG  13          2HD       ARG  13  29.893   8.353   8.353
  102   2HD   ARG  13          3HD       ARG  13  28.869   9.161   9.161
  103    HE   ARG  13           HE       ARG  13  30.692   9.315   9.315
  104   1HH1  ARG  13          2HH2      ARG  13  31.473   7.103   7.103
  105   2HH1  ARG  13          1HH2      ARG  13  33.147   6.986   6.986
  106   1HH2  ARG  13          2HH1      ARG  13  32.902   9.161   9.161
  107   2HH2  ARG  13          1HH1      ARG  13  33.966   8.164   8.164
  108    H    LYS  14           HN       LYS  14  26.024   8.905   8.905
  109    HA   LYS  14           HA       LYS  14  26.933  10.906  10.906
  110   1HB   LYS  14          2HB       LYS  14  25.874  11.052  11.052
  111   2HB   LYS  14          3HB       LYS  14  26.334  12.458  12.458
  112   1HG   LYS  14          2HG       LYS  14  28.596  11.981  11.981
  113   2HG   LYS  14          3HG       LYS  14  28.349  10.248  10.248
  114   1HD   LYS  14          2HD       LYS  14  28.811  10.269  10.269
  115   2HD   LYS  14          3HD       LYS  14  27.183  10.884  10.884
  116   1HE   LYS  14          2HE       LYS  14  28.127  12.719  12.719
  117   2HE   LYS  14          3HE       LYS  14  28.625  13.191  13.191
  118   1HZ   LYS  14          3HZ       LYS  14  30.549  11.528  11.528
  119   2HZ   LYS  14          1HZ       LYS  14  30.182  11.959  11.959
  120   3HZ   LYS  14          2HZ       LYS  14  30.616  13.098  13.098
  121    H    ASP  15           HN       ASP  15  23.900   9.531   9.531
  122    HA   ASP  15           HA       ASP  15  22.296  11.582  11.582
  123   1HB   ASP  15          2HB       ASP  15  21.823   8.801   8.801
  124   2HB   ASP  15          3HB       ASP  15  20.509   9.620   9.620
  125    H    ALA  16           HN       ALA  16  23.553   8.395   8.395
  126    HA   ALA  16           HA       ALA  16  21.861   8.156   8.156
  127   1HB   ALA  16          2HB       ALA  16  24.427   6.838   6.838
  128   2HB   ALA  16          3HB       ALA  16  23.674   6.432   6.432
  129   3HB   ALA  16          1HB       ALA  16  22.782   6.160   6.160
  130    H    GLU  17           HN       GLU  17  24.999   9.698   9.698
  131    HA   GLU  17           HA       GLU  17  25.640  10.065  10.065
  132   1HB   GLU  17          2HB       GLU  17  26.756  10.961  10.961
  133   2HB   GLU  17          3HB       GLU  17  27.227  11.872  11.872
  134   1HG   GLU  17          2HG       GLU  17  27.768   9.556   9.556
  135   2HG   GLU  17          3HG       GLU  17  27.656   8.909   8.909
  136    H    ARG  18           HN       ARG  18  23.596  11.684  11.684
  137    HA   ARG  18           HA       ARG  18  23.717  14.194  14.194
  138   1HB   ARG  18          2HB       ARG  18  22.145  13.012  13.012
  139   2HB   ARG  18          3HB       ARG  18  21.534  14.476  14.476
  140   1HG   ARG  18          2HG       ARG  18  24.336  14.895  14.895
  141   2HG   ARG  18          3HG       ARG  18  23.780  14.153  14.153
  142   1HD   ARG  18          2HD       ARG  18  21.802  16.101  16.101
  143   2HD   ARG  18          3HD       ARG  18  23.364  16.872  16.872
  144    HE   ARG  18           HE       ARG  18  23.380  15.448  15.448
  145   1HH1  ARG  18          2HH2      ARG  18  21.864  18.260  18.260
  146   2HH1  ARG  18          1HH2      ARG  18  21.655  19.095  19.095
  147   1HH2  ARG  18          2HH1      ARG  18  23.104  16.549  16.549
  148   2HH2  ARG  18          1HH1      ARG  18  22.365  18.115  18.115
  149    H    GLN  19           HN       GLN  19  21.516  11.345  11.345
  150    HA   GLN  19           HA       GLN  19  19.408  12.457  12.457
  151   1HB   GLN  19          2HB       GLN  19  20.380   9.587   9.587
  152   2HB   GLN  19          3HB       GLN  19  18.894   9.990   9.990
  153   1HG   GLN  19          2HG       GLN  19  18.353  11.364  11.364
  154   2HG   GLN  19          3HG       GLN  19  19.561  10.319  10.319
  155   1HE2  GLN  19          2HE2      GLN  19  17.692   7.347   7.347
  156   2HE2  GLN  19          1HE2      GLN  19  19.258   8.073   8.073
  157    H    LEU  20           HN       LEU  20  22.376  10.748  10.748
  158    HA   LEU  20           HA       LEU  20  21.588  10.704  10.704
  159   1HB   LEU  20          2HB       LEU  20  24.098  10.204  10.204
  160   2HB   LEU  20          3HB       LEU  20  24.204  10.419  10.419
  161    HG   LEU  20           HG       LEU  20  22.285   8.424   8.424
  162   1HD1  LEU  20          2HD1      LEU  20  25.197   8.311   8.311
  163   2HD1  LEU  20          3HD1      LEU  20  24.481   6.946   6.946
  164   3HD1  LEU  20          1HD1      LEU  20  23.987   7.271   7.271
  165   1HD2  LEU  20          1HD2      LEU  20  22.670   9.306   9.306
  166   2HD2  LEU  20          2HD2      LEU  20  21.906   7.770   7.770
  167   3HD2  LEU  20          3HD2      LEU  20  23.634   7.811   7.811
  168    H    LEU  21           HN       LEU  21  23.820  12.832  12.832
  169    HA   LEU  21           HA       LEU  21  24.451  14.518  14.518
  170   1HB   LEU  21          2HB       LEU  21  24.541  14.711  14.711
  171   2HB   LEU  21          3HB       LEU  21  24.834  16.148  16.148
  172    HG   LEU  21           HG       LEU  21  26.370  13.592  13.592
  173   1HD1  LEU  21          3HD1      LEU  21  26.480  15.257  15.257
  174   2HD1  LEU  21          1HD1      LEU  21  28.009  15.377  15.377
  175   3HD1  LEU  21          2HD1      LEU  21  27.400  13.785  13.785
  176   1HD2  LEU  21          3HD2      LEU  21  26.460  15.267  15.267
  177   2HD2  LEU  21          1HD2      LEU  21  28.038  15.100  15.100
  178   3HD2  LEU  21          2HD2      LEU  21  26.996  16.496  16.496
  179    H    ALA  22           HN       ALA  22  21.531  14.139  14.139
  180    HA   ALA  22           HA       ALA  22  20.471  16.680  16.680
  181   1HB   ALA  22          3HB       ALA  22  19.667  14.342  14.342
  182   2HB   ALA  22          1HB       ALA  22  18.711  14.299  14.299
  183   3HB   ALA  22          2HB       ALA  22  18.512  15.649  15.649
  184    HA   PRO  23           HA       PRO  23  19.453  17.336  17.336
  185   1HB   PRO  23          2HB       PRO  23  17.127  18.765  18.765
  186   2HB   PRO  23          3HB       PRO  23  18.704  19.474  19.474
  187   1HG   PRO  23          2HG       PRO  23  16.609  18.768  18.768
  188   2HG   PRO  23          3HG       PRO  23  17.980  19.842  19.842
  189   1HD   PRO  23          2HD       PRO  23  17.735  17.169  17.169
  190   2HD   PRO  23          3HD       PRO  23  19.149  18.200  18.200
  191    H    GLY  24           HN       GLY  24  17.087  15.739  15.739
  192   1HA   GLY  24          1HA       GLY  24  15.270  15.007  15.007
  193   2HA   GLY  24          2HA       GLY  24  15.611  14.122  14.122
  194    H    ASN  25           HN       ASN  25  18.545  13.807  13.807
  195    HA   ASN  25           HA       ASN  25  18.117  11.729  11.729
  196   1HB   ASN  25          2HB       ASN  25  20.165  11.931  11.931
  197   2HB   ASN  25          3HB       ASN  25  20.190  10.666  10.666
  198   1HD2  ASN  25          2HD2      ASN  25  17.751  10.494  10.494
  199   2HD2  ASN  25          1HD2      ASN  25  18.938  11.723  11.723
  200    H    MET  26           HN       MET  26  20.213  11.260  11.260
  201    HA   MET  26           HA       MET  26  22.038  13.473  13.473
  202   1HB   MET  26          2HB       MET  26  21.594  13.967  13.967
  203   2HB   MET  26          3HB       MET  26  20.077  14.093  14.093
  204   1HG   MET  26          2HG       MET  26  19.794  11.534  11.534
  205   2HG   MET  26          3HG       MET  26  21.007  11.886  11.886
  206   1HE   MET  26          2HE       MET  26  19.674  11.387  11.387
  207   2HE   MET  26          3HE       MET  26  20.395  12.967  12.967
  208   3HE   MET  26          1HE       MET  26  18.694  12.640  12.640
  209    H    LEU  27           HN       LEU  27  23.828  13.016  13.016
  210    HA   LEU  27           HA       LEU  27  25.103  10.718  10.718
  211   1HB   LEU  27          2HB       LEU  27  25.158  12.706  12.706
  212   2HB   LEU  27          3HB       LEU  27  25.889  11.161  11.161
  213    HG   LEU  27           HG       LEU  27  26.797  12.038  12.038
  214   1HD1  LEU  27          3HD1      LEU  27  26.185  14.249  14.249
  215   2HD1  LEU  27          1HD1      LEU  27  27.827  13.943  13.943
  216   3HD1  LEU  27          2HD1      LEU  27  27.556  14.147  14.147
  217   1HD2  LEU  27          2HD2      LEU  27  27.840  10.383  10.383
  218   2HD2  LEU  27          3HD2      LEU  27  28.946  11.578  11.578
  219   3HD2  LEU  27          1HD2      LEU  27  28.385  11.779  11.779
  220    H    GLY  28           HN       GLY  28  24.670   8.597   8.597
  221   1HA   GLY  28          1HA       GLY  28  24.279   6.887   6.887
  222   2HA   GLY  28          2HA       GLY  28  22.892   7.828   7.828
  223    H    SER  29           HN       SER  29  22.358   8.584   8.584
  224    HA   SER  29           HA       SER  29  20.604   6.422   6.422
  225   1HB   SER  29          2HB       SER  29  21.311   8.775   8.775
  226   2HB   SER  29          3HB       SER  29  19.925   7.721   7.721
  227    HG   SER  29           HG       SER  29  19.159   9.518   9.518
  228    H    PHE  30           HN       PHE  30  20.871   4.645   4.645
  229    HA   PHE  30           HA       PHE  30  23.270   4.669   4.669
  230   1HB   PHE  30          2HB       PHE  30  23.540   2.311   2.311
  231   2HB   PHE  30          3HB       PHE  30  23.304   3.212   3.212
  232    HD1  PHE  30           HD2      PHE  30  21.676   0.951   0.951
  233    HD2  PHE  30           HD1      PHE  30  21.385   2.847   2.847
  234    HE1  PHE  30           HE2      PHE  30  19.748  -0.540  -0.540
  235    HE2  PHE  30           HE1      PHE  30  19.457   1.356   1.356
  236   1HZ   PHE  30           HZ       PHE  30  18.661  -0.320  -0.320
  237    H    MET  31           HN       MET  31  23.144   3.308   3.308
  238    HA   MET  31           HA       MET  31  20.487   2.451   2.451
  239   1HB   MET  31          2HB       MET  31  20.548   3.767   3.767
  240   2HB   MET  31          3HB       MET  31  20.575   4.830   4.830
  241   1HG   MET  31          2HG       MET  31  22.736   5.542   5.542
  242   2HG   MET  31          3HG       MET  31  23.269   3.964   3.964
  243   1HE   MET  31          2HE       MET  31  20.683   6.601   6.601
  244   2HE   MET  31          3HE       MET  31  20.720   6.881   6.881
  245   3HE   MET  31          1HE       MET  31  19.917   5.434   5.434
  246    H    ILE  32           HN       ILE  32  20.462   0.949   0.949
  247    HA   ILE  32           HA       ILE  32  23.153   0.037   0.037
  248    HB   ILE  32           HB       ILE  32  20.733  -1.601  -1.601
  249   1HG1  ILE  32          2HG1      ILE  32  23.505  -1.702  -1.702
  250   2HG1  ILE  32          3HG1      ILE  32  22.279  -0.601  -0.601
  251   1HG2  ILE  32          2HG2      ILE  32  23.053  -2.250  -2.250
  252   2HG2  ILE  32          3HG2      ILE  32  22.721  -3.415  -3.415
  253   3HG2  ILE  32          1HG2      ILE  32  21.453  -3.021  -3.021
  254   1HD1  ILE  32          2HD1      ILE  32  21.651  -3.552  -3.552
  255   2HD1  ILE  32          3HD1      ILE  32  22.483  -2.953  -2.953
  256   3HD1  ILE  32          1HD1      ILE  32  20.855  -2.357  -2.357
  257    H    ARG  33           HN       ARG  33  23.506  -0.339  -0.339
  258    HA   ARG  33           HA       ARG  33  21.155  -0.282  -0.282
  259   1HB   ARG  33          2HB       ARG  33  22.265   1.304   1.304
  260   2HB   ARG  33          3HB       ARG  33  22.055   2.032   2.032
  261   1HG   ARG  33          2HG       ARG  33  24.403   1.553   1.553
  262   2HG   ARG  33          3HG       ARG  33  24.634   0.673   0.673
  263   1HD   ARG  33          2HD       ARG  33  24.332   2.701   2.701
  264   2HD   ARG  33          3HD       ARG  33  23.814   3.613   3.613
  265    HE   ARG  33           HE       ARG  33  26.057   3.831   3.831
  266   1HH1  ARG  33          2HH2      ARG  33  25.816   1.433   1.433
  267   2HH1  ARG  33          1HH2      ARG  33  27.530   1.314   1.314
  268   1HH2  ARG  33          2HH1      ARG  33  28.318   3.675   3.675
  269   2HH2  ARG  33          1HH1      ARG  33  28.962   2.598   2.598
  270    H    ASP  34           HN       ASP  34  22.066  -0.687  -0.687
  271    HA   ASP  34           HA       ASP  34  23.666  -3.071  -3.071
  272   1HB   ASP  34          2HB       ASP  34  21.394  -2.574  -2.574
  273   2HB   ASP  34          3HB       ASP  34  22.592  -2.224  -2.224
  274    H    SER  35           HN       SER  35  25.494  -3.447  -3.447
  275    HA   SER  35           HA       SER  35  27.171  -1.263  -1.263
  276   1HB   SER  35          2HB       SER  35  27.876  -3.670  -3.670
  277   2HB   SER  35          3HB       SER  35  27.269  -3.839  -3.839
  278    HG   SER  35           HG       SER  35  29.650  -2.697  -2.697
  279    H    GLU  36           HN       GLU  36  28.286  -0.684  -0.684
  280    HA   GLU  36           HA       GLU  36  26.080  -0.174  -0.174
  281   1HB   GLU  36          2HB       GLU  36  28.289   1.618   1.618
  282   2HB   GLU  36          3HB       GLU  36  27.682   1.871   1.871
  283   1HG   GLU  36          2HG       GLU  36  25.389   2.161   2.161
  284   2HG   GLU  36          3HG       GLU  36  25.882   1.724   1.724
  285    H    THR  37           HN       THR  37  29.721  -0.194  -0.194
  286    HA   THR  37           HA       THR  37  29.819  -1.078  -1.078
  287    HB   THR  37           HB       THR  37  32.267  -0.727  -0.727
  288    HG1  THR  37           HG1      THR  37  32.929  -0.788  -0.788
  289   1HG2  THR  37          2HG2      THR  37  30.240   1.334   1.334
  290   2HG2  THR  37          3HG2      THR  37  31.757   1.650   1.650
  291   3HG2  THR  37          1HG2      THR  37  31.771   1.485   1.485
  292    H    THR  38           HN       THR  38  29.986  -2.429  -2.429
  293    HA   THR  38           HA       THR  38  30.770  -5.002  -5.002
  294    HB   THR  38           HB       THR  38  31.000  -4.031  -4.031
  295    HG1  THR  38           HG1      THR  38  33.345  -4.046  -4.046
  296   1HG2  THR  38          3HG2      THR  38  32.171  -6.416  -6.416
  297   2HG2  THR  38          1HG2      THR  38  32.695  -5.910  -5.910
  298   3HG2  THR  38          2HG2      THR  38  31.035  -6.497  -6.497
  299    H    LYS  39           HN       LYS  39  28.402  -4.904  -4.904
  300    HA   LYS  39           HA       LYS  39  26.310  -5.048  -5.048
  301   1HB   LYS  39          2HB       LYS  39  26.764  -6.172  -6.172
  302   2HB   LYS  39          3HB       LYS  39  25.269  -6.480  -6.480
  303   1HG   LYS  39          2HG       LYS  39  25.723  -3.707  -3.707
  304   2HG   LYS  39          3HG       LYS  39  26.177  -4.018  -4.018
  305   1HD   LYS  39          2HD       LYS  39  23.682  -5.406  -5.406
  306   2HD   LYS  39          3HD       LYS  39  23.566  -3.667  -3.667
  307   1HE   LYS  39          2HE       LYS  39  24.805  -4.733  -4.733
  308   2HE   LYS  39          3HE       LYS  39  23.068  -4.874  -4.874
  309   1HZ   LYS  39          2HZ       LYS  39  24.530  -2.354  -2.354
  310   2HZ   LYS  39          3HZ       LYS  39  23.817  -2.792  -2.792
  311   3HZ   LYS  39          1HZ       LYS  39  22.909  -2.547  -2.547
  312    H    GLY  40           HN       GLY  40  25.180  -6.786  -6.786
  313   1HA   GLY  40          1HA       GLY  40  24.936  -9.054  -9.054
  314   2HA   GLY  40          2HA       GLY  40  26.595  -9.361  -9.361
  315    H    SER  41           HN       SER  41  27.244  -6.622  -6.622
  316    HA   SER  41           HA       SER  41  27.389  -7.890  -7.890
  317   1HB   SER  41          2HB       SER  41  29.161  -5.719  -5.719
  318   2HB   SER  41          3HB       SER  41  29.357  -6.400  -6.400
  319    HG   SER  41           HG       SER  41  30.782  -7.442  -7.442
  320    H    TYR  42           HN       TYR  42  27.377  -6.272  -6.272
  321    HA   TYR  42           HA       TYR  42  25.507  -4.086  -4.086
  322   1HB   TYR  42          2HB       TYR  42  25.846  -6.140  -6.140
  323   2HB   TYR  42          3HB       TYR  42  25.062  -4.619  -4.619
  324    HD1  TYR  42           HD2      TYR  42  22.913  -4.007  -4.007
  325    HD2  TYR  42           HD1      TYR  42  24.703  -7.869  -7.869
  326    HE1  TYR  42           HE2      TYR  42  20.707  -4.943  -4.943
  327    HE2  TYR  42           HE1      TYR  42  22.492  -8.792  -8.792
  328    HH   TYR  42           HH       TYR  42  19.643  -7.335  -7.335
  329    H    SER  43           HN       SER  43  25.711  -2.121  -2.121
  330    HA   SER  43           HA       SER  43  28.273  -1.923  -1.923
  331   1HB   SER  43          2HB       SER  43  27.111   0.208   0.208
  332   2HB   SER  43          3HB       SER  43  28.646   0.292   0.292
  333    HG   SER  43           HG       SER  43  28.399  -2.023  -2.023
  334    H    LEU  44           HN       LEU  44  28.077  -1.051  -1.051
  335    HA   LEU  44           HA       LEU  44  25.467   0.037   0.037
  336   1HB   LEU  44          2HB       LEU  44  26.067  -1.682  -1.682
  337   2HB   LEU  44          3HB       LEU  44  27.744  -1.179  -1.179
  338    HG   LEU  44           HG       LEU  44  26.896   0.908   0.908
  339   1HD1  LEU  44          1HD1      LEU  44  24.420   0.002   0.002
  340   2HD1  LEU  44          2HD1      LEU  44  24.553  -0.589  -0.589
  341   3HD1  LEU  44          3HD1      LEU  44  24.754   1.145   1.145
  342   1HD2  LEU  44          3HD2      LEU  44  27.507  -1.748  -1.748
  343   2HD2  LEU  44          1HD2      LEU  44  27.845  -0.187  -0.187
  344   3HD2  LEU  44          2HD2      LEU  44  26.304  -1.023  -1.023
  345    H    SER  45           HN       SER  45  25.208   2.091   2.091
  346    HA   SER  45           HA       SER  45  27.582   3.757   3.757
  347   1HB   SER  45          2HB       SER  45  24.971   4.878   4.878
  348   2HB   SER  45          3HB       SER  45  26.601   5.455   5.455
  349    HG   SER  45           HG       SER  45  26.178   4.443   4.443
  350    H    VAL  46           HN       VAL  46  27.761   4.894   4.894
  351    HA   VAL  46           HA       VAL  46  25.278   5.462   5.462
  352    HB   VAL  46           HB       VAL  46  27.828   4.441   4.441
  353   1HG1  VAL  46          2HG1      VAL  46  25.924   5.943   5.943
  354   2HG1  VAL  46          3HG1      VAL  46  25.203   4.330   4.330
  355   3HG1  VAL  46          1HG1      VAL  46  26.830   4.671   4.671
  356   1HG2  VAL  46          3HG2      VAL  46  25.696   2.984   2.984
  357   2HG2  VAL  46          1HG2      VAL  46  27.222   2.386   2.386
  358   3HG2  VAL  46          2HG2      VAL  46  25.783   2.560   2.560
  359    H    ARG  47           HN       ARG  47  25.337   7.395   7.395
  360    HA   ARG  47           HA       ARG  47  27.145   9.289   9.289
  361   1HB   ARG  47          2HB       ARG  47  24.728   9.802   9.802
  362   2HB   ARG  47          3HB       ARG  47  25.043   9.598   9.598
  363   1HG   ARG  47          2HG       ARG  47  26.212  11.600  11.600
  364   2HG   ARG  47          3HG       ARG  47  26.843  11.507  11.507
  365   1HD   ARG  47          2HD       ARG  47  24.809  12.314  12.314
  366   2HD   ARG  47          3HD       ARG  47  23.873  11.953  11.953
  367    HE   ARG  47           HE       ARG  47  25.865  13.811  13.811
  368   1HH1  ARG  47          2HH2      ARG  47  23.085  13.710  13.710
  369   2HH1  ARG  47          1HH2      ARG  47  22.755  15.405  15.405
  370   1HH2  ARG  47          1HH1      ARG  47  24.099  16.743  16.743
  371   2HH2  ARG  47          2HH1      ARG  47  25.431  16.047  16.047
  372    H    ASP  48           HN       ASP  48  28.848  10.385  10.385
  373    HA   ASP  48           HA       ASP  48  29.243   9.727   9.727
  374   1HB   ASP  48          2HB       ASP  48  30.488   8.056   8.056
  375   2HB   ASP  48          3HB       ASP  48  31.524   9.406   9.406
  376    H    TYR  49           HN       TYR  49  31.061  11.174  11.174
  377    HA   TYR  49           HA       TYR  49  31.500  13.546  13.546
  378   1HB   TYR  49          2HB       TYR  49  29.625  13.663  13.663
  379   2HB   TYR  49          3HB       TYR  49  30.879  13.397  13.397
  380    HD1  TYR  49           HD1      TYR  49  32.878  15.107  15.107
  381    HD2  TYR  49           HD2      TYR  49  29.066  15.845  15.845
  382    HE1  TYR  49           HE1      TYR  49  33.313  17.610  17.610
  383    HE2  TYR  49           HE2      TYR  49  29.513  18.346  18.346
  384    HH   TYR  49           HH       TYR  49  32.488  19.589  19.589
  385    H    ASP  50           HN       ASP  50  33.428  14.776  14.776
  386    HA   ASP  50           HA       ASP  50  35.280  13.244  13.244
  387   1HB   ASP  50          2HB       ASP  50  35.488  13.461  13.461
  388   2HB   ASP  50          3HB       ASP  50  36.353  14.910  14.910
  389    HA   PRO  51           HA       PRO  51  35.857  17.189  17.189
  390   1HB   PRO  51          2HB       PRO  51  38.125  16.727  16.727
  391   2HB   PRO  51          3HB       PRO  51  36.528  16.248  16.248
  392   1HG   PRO  51          2HG       PRO  51  38.697  14.563  14.563
  393   2HG   PRO  51          3HG       PRO  51  37.289  14.078  14.078
  394   1HD   PRO  51          2HD       PRO  51  37.668  13.795  13.795
  395   2HD   PRO  51          3HD       PRO  51  36.216  13.417  13.417
  396    H    ARG  52           HN       ARG  52  37.690  16.020  16.020
  397    HA   ARG  52           HA       ARG  52  39.393  18.367  18.367
  398   1HB   ARG  52          2HB       ARG  52  39.581  15.641  15.641
  399   2HB   ARG  52          3HB       ARG  52  40.356  16.967  16.967
  400   1HG   ARG  52          2HG       ARG  52  41.723  17.510  17.510
  401   2HG   ARG  52          3HG       ARG  52  40.831  16.383  16.383
  402   1HD   ARG  52          2HD       ARG  52  41.708  14.467  14.467
  403   2HD   ARG  52          3HD       ARG  52  42.345  15.475  15.475
  404    HE   ARG  52           HE       ARG  52  43.563  15.011  15.011
  405   1HH1  ARG  52          2HH2      ARG  52  43.449  17.141  17.141
  406   2HH1  ARG  52          1HH2      ARG  52  45.022  17.807  17.807
  407   1HH2  ARG  52          2HH1      ARG  52  45.639  15.891  15.891
  408   2HH2  ARG  52          1HH1      ARG  52  46.277  17.091  17.091
  409    H    GLN  53           HN       GLN  53  37.536  16.344  16.344
  410    HA   GLN  53           HA       GLN  53  37.360  18.596  18.596
  411   1HB   GLN  53          2HB       GLN  53  36.392  15.721  15.721
  412   2HB   GLN  53          3HB       GLN  53  35.910  16.893  16.893
  413   1HG   GLN  53          2HG       GLN  53  38.746  17.183  17.183
  414   2HG   GLN  53          3HG       GLN  53  38.422  15.465  15.465
  415   1HE2  GLN  53          2HE2      GLN  53  38.908  17.202  17.202
  416   2HE2  GLN  53          1HE2      GLN  53  39.741  17.308  17.308
  417    H    GLY  54           HN       GLY  54  34.987  16.440  16.440
  418   1HA   GLY  54          1HA       GLY  54  33.341  17.807  17.807
  419   2HA   GLY  54          2HA       GLY  54  33.022  18.642  18.642
  420    H    ASP  55           HN       ASP  55  31.219  17.943  17.943
  421    HA   ASP  55           HA       ASP  55  30.050  15.490  15.490
  422   1HB   ASP  55          2HB       ASP  55  29.443  17.571  17.571
  423   2HB   ASP  55          3HB       ASP  55  28.486  16.109  16.109
  424    H    THR  56           HN       THR  56  30.157  13.494  13.494
  425    HA   THR  56           HA       THR  56  31.131  13.443  13.443
  426    HB   THR  56           HB       THR  56  33.113  12.189  12.189
  427    HG1  THR  56           HG1      THR  56  32.061  12.091  12.091
  428   1HG2  THR  56          1HG2      THR  56  33.374  14.580  14.580
  429   2HG2  THR  56          2HG2      THR  56  32.845  14.046  14.046
  430   3HG2  THR  56          3HG2      THR  56  34.363  13.423  13.423
  431    H    VAL  57           HN       VAL  57  31.161  11.072  11.072
  432    HA   VAL  57           HA       VAL  57  29.091   9.545   9.545
  433    HB   VAL  57           HB       VAL  57  29.095  10.047  10.047
  434   1HG1  VAL  57          3HG1      VAL  57  27.105   8.749   8.749
  435   2HG1  VAL  57          1HG1      VAL  57  26.763   9.150   9.150
  436   3HG1  VAL  57          2HG1      VAL  57  28.032   7.967   7.967
  437   1HG2  VAL  57          3HG2      VAL  57  27.925  11.630  11.630
  438   2HG2  VAL  57          1HG2      VAL  57  28.427  12.135  12.135
  439   3HG2  VAL  57          2HG2      VAL  57  26.864  11.316  11.316
  440    H    LYS  58           HN       LYS  58  29.796   7.508   7.508
  441    HA   LYS  58           HA       LYS  58  32.141   6.633   6.633
  442   1HB   LYS  58          2HB       LYS  58  30.764   5.777   5.777
  443   2HB   LYS  58          3HB       LYS  58  31.882   4.692   4.692
  444   1HG   LYS  58          2HG       LYS  58  32.747   7.552   7.552
  445   2HG   LYS  58          3HG       LYS  58  32.724   6.478   6.478
  446   1HD   LYS  58          2HD       LYS  58  34.902   6.143   6.143
  447   2HD   LYS  58          3HD       LYS  58  34.047   4.814   4.814
  448   1HE   LYS  58          2HE       LYS  58  34.221   5.722   5.722
  449   2HE   LYS  58          3HE       LYS  58  34.022   7.367   7.367
  450   1HZ   LYS  58          3HZ       LYS  58  36.432   6.180   6.180
  451   2HZ   LYS  58          1HZ       LYS  58  36.350   6.230   6.230
  452   3HZ   LYS  58          2HZ       LYS  58  36.202   7.606   7.606
  453    H    HIS  59           HN       HIS  59  32.237   4.523   4.523
  454    HA   HIS  59           HA       HIS  59  29.634   3.384   3.384
  455   1HB   HIS  59          2HB       HIS  59  31.533   3.806   3.806
  456   2HB   HIS  59          3HB       HIS  59  29.794   3.595   3.595
  457    HD1  HIS  59           HD1      HIS  59  32.213   6.119   6.119
  458    HD2  HIS  59           HD2      HIS  59  28.528   6.051   6.051
  459    HE1  HIS  59           HE1      HIS  59  31.423   8.542   8.542
  460    H    TYR  60           HN       TYR  60  29.770   1.266   1.266
  461    HA   TYR  60           HA       TYR  60  32.419   0.017   0.017
  462   1HB   TYR  60          2HB       TYR  60  29.752  -0.759  -0.759
  463   2HB   TYR  60          3HB       TYR  60  31.258  -1.626  -1.626
  464    HD1  TYR  60           HD2      TYR  60  33.242  -0.311  -0.311
  465    HD2  TYR  60           HD1      TYR  60  29.173   0.999   0.999
  466    HE1  TYR  60           HE2      TYR  60  33.802   1.179   1.179
  467    HE2  TYR  60           HE1      TYR  60  29.747   2.485   2.485
  468    HH   TYR  60           HH       TYR  60  31.305   2.766   2.766
  469    H    LYS  61           HN       LYS  61  32.375  -2.394  -2.394
  470    HA   LYS  61           HA       LYS  61  30.588  -2.708  -2.708
  471   1HB   LYS  61          2HB       LYS  61  32.270  -3.801  -3.801
  472   2HB   LYS  61          3HB       LYS  61  33.204  -2.664  -2.664
  473   1HG   LYS  61          2HG       LYS  61  32.616  -5.543  -5.543
  474   2HG   LYS  61          3HG       LYS  61  34.108  -5.017  -5.017
  475   1HD   LYS  61          2HD       LYS  61  34.137  -3.239  -3.239
  476   2HD   LYS  61          3HD       LYS  61  33.057  -4.383  -4.383
  477   1HE   LYS  61          2HE       LYS  61  35.213  -5.083  -5.083
  478   2HE   LYS  61          3HE       LYS  61  34.821  -6.202  -6.202
  479   1HZ   LYS  61          1HZ       LYS  61  35.978  -4.202  -4.202
  480   2HZ   LYS  61          2HZ       LYS  61  36.818  -4.163  -4.163
  481   3HZ   LYS  61          3HZ       LYS  61  36.764  -5.537  -5.537
  482    H    ILE  62           HN       ILE  62  29.590  -4.797  -4.797
  483    HA   ILE  62           HA       ILE  62  29.532  -6.499  -6.499
  484    HB   ILE  62           HB       ILE  62  27.187  -5.305  -5.305
  485   1HG1  ILE  62          2HG1      ILE  62  27.493  -5.449  -5.449
  486   2HG1  ILE  62          3HG1      ILE  62  28.447  -4.274  -4.274
  487   1HG2  ILE  62          2HG2      ILE  62  27.193  -7.677  -7.677
  488   2HG2  ILE  62          3HG2      ILE  62  25.745  -6.798  -6.798
  489   3HG2  ILE  62          1HG2      ILE  62  26.748  -7.680  -7.680
  490   1HD1  ILE  62          2HD1      ILE  62  25.547  -4.446  -4.446
  491   2HD1  ILE  62          3HD1      ILE  62  25.929  -3.762  -3.762
  492   3HD1  ILE  62          1HD1      ILE  62  26.605  -3.021  -3.021
  493    H    ARG  63           HN       ARG  63  30.511  -8.329  -8.329
  494    HA   ARG  63           HA       ARG  63  29.965  -9.127  -9.127
  495   1HB   ARG  63          2HB       ARG  63  31.994 -10.111 -10.111
  496   2HB   ARG  63          3HB       ARG  63  31.818 -10.836 -10.836
  497   1HG   ARG  63          2HG       ARG  63  32.129  -7.853  -7.853
  498   2HG   ARG  63          3HG       ARG  63  33.538  -8.781  -8.781
  499   1HD   ARG  63          2HD       ARG  63  32.877 -10.192 -10.192
  500   2HD   ARG  63          3HD       ARG  63  32.152  -8.662  -8.662
  501    HE   ARG  63           HE       ARG  63  34.892  -8.406  -8.406
  502   1HH1  ARG  63          2HH2      ARG  63  32.904  -8.931  -8.931
  503   2HH1  ARG  63          1HH2      ARG  63  34.123  -8.388  -8.388
  504   1HH2  ARG  63          2HH1      ARG  63  36.500  -7.690  -7.690
  505   2HH2  ARG  63          1HH1      ARG  63  36.182  -7.677  -7.677
  506    H    THR  64           HN       THR  64  29.374 -11.429 -11.429
  507    HA   THR  64           HA       THR  64  27.758 -12.533 -12.533
  508    HB   THR  64           HB       THR  64  26.415 -13.519 -13.519
  509    HG1  THR  64           HG1      THR  64  27.226 -12.994 -12.994
  510   1HG2  THR  64          2HG2      THR  64  26.582 -10.763 -10.763
  511   2HG2  THR  64          3HG2      THR  64  26.849 -10.892 -10.892
  512   3HG2  THR  64          1HG2      THR  64  25.366 -11.557 -11.557
  513    H    LEU  65           HN       LEU  65  27.651 -14.882 -14.882
  514    HA   LEU  65           HA       LEU  65  30.289 -16.019 -16.019
  515   1HB   LEU  65          2HB       LEU  65  28.182 -16.665 -16.665
  516   2HB   LEU  65          3HB       LEU  65  29.598 -17.660 -17.660
  517    HG   LEU  65           HG       LEU  65  29.963 -14.741 -14.741
  518   1HD1  LEU  65          1HD1      LEU  65  28.326 -15.777 -15.777
  519   2HD1  LEU  65          2HD1      LEU  65  29.693 -16.775 -16.775
  520   3HD1  LEU  65          3HD1      LEU  65  29.784 -15.001 -15.001
  521   1HD2  LEU  65          3HD2      LEU  65  31.596 -17.207 -17.207
  522   2HD2  LEU  65          1HD2      LEU  65  32.046 -15.522 -15.522
  523   3HD2  LEU  65          2HD2      LEU  65  31.902 -16.069 -16.069
  524    H    ASP  66           HN       ASP  66  30.468 -18.195 -18.195
  525    HA   ASP  66           HA       ASP  66  28.862 -18.671 -18.671
  526   1HB   ASP  66          2HB       ASP  66  29.762 -21.135 -21.135
  527   2HB   ASP  66          3HB       ASP  66  30.882 -19.843 -19.843
  528    H    ASN  67           HN       ASN  67  28.823 -20.145 -20.145
  529    HA   ASN  67           HA       ASN  67  26.086 -20.972 -20.972
  530   1HB   ASN  67          2HB       ASN  67  28.110 -22.481 -22.481
  531   2HB   ASN  67          3HB       ASN  67  26.470 -22.995 -22.995
  532   1HD2  ASN  67          2HD2      ASN  67  27.047 -24.113 -24.113
  533   2HD2  ASN  67          1HD2      ASN  67  25.877 -23.510 -23.510
  534    H    GLY  68           HN       GLY  68  26.029 -18.609 -18.609
  535   1HA   GLY  68          1HA       GLY  68  25.404 -18.950 -18.950
  536   2HA   GLY  68          2HA       GLY  68  26.771 -17.900 -17.900
  537    H    GLY  69           HN       GLY  69  26.224 -15.770 -15.770
  538   1HA   GLY  69          1HA       GLY  69  23.819 -14.982 -14.982
  539   2HA   GLY  69          2HA       GLY  69  23.958 -14.510 -14.510
  540    H    PHE  70           HN       PHE  70  25.166 -12.710 -12.710
  541    HA   PHE  70           HA       PHE  70  27.067 -11.719 -11.719
  542   1HB   PHE  70          2HB       PHE  70  24.895 -10.052 -10.052
  543   2HB   PHE  70          3HB       PHE  70  26.006  -9.469  -9.469
  544    HD1  PHE  70           HD2      PHE  70  23.304 -11.991 -11.991
  545    HD2  PHE  70           HD1      PHE  70  25.327  -9.416  -9.416
  546    HE1  PHE  70           HE2      PHE  70  21.627 -12.544 -12.544
  547    HE2  PHE  70           HE1      PHE  70  23.650  -9.969  -9.969
  548   1HZ   PHE  70           HZ       PHE  70  21.820 -11.527 -11.527
  549    H    TYR  71           HN       TYR  71  28.861 -10.709 -10.709
  550    HA   TYR  71           HA       TYR  71  28.733 -10.133 -10.133
  551   1HB   TYR  71          2HB       TYR  71  30.829 -11.413 -11.413
  552   2HB   TYR  71          3HB       TYR  71  29.696 -12.460 -12.460
  553    HD1  TYR  71           HD1      TYR  71  29.816 -12.373 -12.373
  554    HD2  TYR  71           HD2      TYR  71  32.976 -11.156 -11.156
  555    HE1  TYR  71           HE1      TYR  71  31.501 -12.695 -12.695
  556    HE2  TYR  71           HE2      TYR  71  34.651 -11.482 -11.482
  557    HH   TYR  71           HH       TYR  71  33.687 -11.867 -11.867
  558    H    ILE  72           HN       ILE  72  30.220  -8.513  -8.513
  559    HA   ILE  72           HA       ILE  72  31.288  -6.939  -6.939
  560    HB   ILE  72           HB       ILE  72  30.292  -6.223  -6.223
  561   1HG1  ILE  72          2HG1      ILE  72  29.558  -5.252  -5.252
  562   2HG1  ILE  72          3HG1      ILE  72  28.647  -6.407  -6.407
  563   1HG2  ILE  72          3HG2      ILE  72  32.484  -5.100  -5.100
  564   2HG2  ILE  72          1HG2      ILE  72  31.764  -4.347  -4.347
  565   3HG2  ILE  72          2HG2      ILE  72  31.107  -3.986  -3.986
  566   1HD1  ILE  72          3HD1      ILE  72  28.830  -4.413  -4.413
  567   2HD1  ILE  72          1HD1      ILE  72  28.910  -3.446  -3.446
  568   3HD1  ILE  72          2HD1      ILE  72  27.512  -4.507  -4.507
  569    H    SER  73           HN       SER  73  32.024  -8.222  -8.222
  570    HA   SER  73           HA       SER  73  34.832  -7.808  -7.808
  571   1HB   SER  73          2HB       SER  73  33.862  -6.552  -6.552
  572   2HB   SER  73          3HB       SER  73  33.663  -8.108  -8.108
  573    HG   SER  73           HG       SER  73  35.892  -8.421  -8.421
  574    HA   PRO  74           HA       PRO  74  35.224 -12.137 -12.137
  575   1HB   PRO  74          2HB       PRO  74  37.925 -12.392 -12.392
  576   2HB   PRO  74          3HB       PRO  74  37.174 -12.109 -12.109
  577   1HG   PRO  74          2HG       PRO  74  38.666 -10.214 -10.214
  578   2HG   PRO  74          3HG       PRO  74  38.285 -10.088 -10.088
  579   1HD   PRO  74          2HD       PRO  74  36.995  -8.701  -8.701
  580   2HD   PRO  74          3HD       PRO  74  36.540  -8.664  -8.664
  581    H    ARG  75           HN       ARG  75  33.998 -11.410 -11.410
  582    HA   ARG  75           HA       ARG  75  35.487 -12.951 -12.951
  583   1HB   ARG  75          2HB       ARG  75  34.008 -10.339 -10.339
  584   2HB   ARG  75          3HB       ARG  75  34.763 -11.366 -11.366
  585   1HG   ARG  75          2HG       ARG  75  36.422 -10.370 -10.370
  586   2HG   ARG  75          3HG       ARG  75  36.072  -9.275  -9.275
  587   1HD   ARG  75          2HD       ARG  75  36.878 -11.329 -11.329
  588   2HD   ARG  75          3HD       ARG  75  37.677 -11.840 -11.840
  589    HE   ARG  75           HE       ARG  75  38.331  -9.128  -9.128
  590   1HH1  ARG  75          2HH2      ARG  75  38.749 -12.032 -12.032
  591   2HH1  ARG  75          1HH2      ARG  75  40.202 -11.471 -11.471
  592   1HH2  ARG  75          2HH1      ARG  75  40.249  -8.387  -8.387
  593   2HH2  ARG  75          1HH1      ARG  75  41.061  -9.384  -9.384
  594    H    SER  76           HN       SER  76  32.345 -11.119 -11.119
  595    HA   SER  76           HA       SER  76  31.014 -13.647 -13.647
  596   1HB   SER  76          2HB       SER  76  30.543 -10.890 -10.890
  597   2HB   SER  76          3HB       SER  76  29.201 -12.011 -12.011
  598    HG   SER  76           HG       SER  76  30.417 -12.073 -12.073
  599    H    THR  77           HN       THR  77  29.805 -14.271 -14.271
  600    HA   THR  77           HA       THR  77  28.904 -12.168 -12.168
  601    HB   THR  77           HB       THR  77  28.756 -14.077 -14.077
  602    HG1  THR  77           HG1      THR  77  28.262 -15.556 -15.556
  603   1HG2  THR  77          2HG2      THR  77  31.206 -13.201 -13.201
  604   2HG2  THR  77          3HG2      THR  77  31.323 -14.950 -14.950
  605   3HG2  THR  77          1HG2      THR  77  30.995 -13.831 -13.831
  606    H    PHE  78           HN       PHE  78  26.748 -12.680 -12.680
  607    HA   PHE  78           HA       PHE  78  24.883 -13.850 -13.850
  608   1HB   PHE  78          2HB       PHE  78  24.516 -11.217 -11.217
  609   2HB   PHE  78          3HB       PHE  78  23.433 -11.851 -11.851
  610    HD1  PHE  78           HD1      PHE  78  26.969 -10.737 -10.737
  611    HD2  PHE  78           HD2      PHE  78  23.625 -11.086 -11.086
  612    HE1  PHE  78           HE1      PHE  78  28.198  -9.439  -9.439
  613    HE2  PHE  78           HE2      PHE  78  24.854  -9.788  -9.788
  614   1HZ   PHE  78           HZ       PHE  78  27.126  -8.980  -8.980
  615    H    SER  79           HN       SER  79  22.927 -14.681 -14.681
  616    HA   SER  79           HA       SER  79  23.330 -15.468 -15.468
  617   1HB   SER  79          2HB       SER  79  21.156 -16.048 -16.048
  618   2HB   SER  79          3HB       SER  79  21.090 -16.675 -16.675
  619    HG   SER  79           HG       SER  79  23.545 -17.268 -17.268
  620    H    THR  80           HN       THR  80  21.575 -12.992 -12.992
  621    HA   THR  80           HA       THR  80  20.377 -12.111 -12.111
  622    HB   THR  80           HB       THR  80  18.358 -11.450 -11.450
  623    HG1  THR  80           HG1      THR  80  18.355 -12.736 -12.736
  624   1HG2  THR  80          1HG2      THR  80  19.025 -13.998 -13.998
  625   2HG2  THR  80          2HG2      THR  80  18.038 -14.269 -14.269
  626   3HG2  THR  80          3HG2      THR  80  17.437 -13.211 -13.211
  627    H    LEU  81           HN       LEU  81  20.026  -9.827  -9.827
  628    HA   LEU  81           HA       LEU  81  22.081  -8.381  -8.381
  629   1HB   LEU  81          2HB       LEU  81  20.040  -7.785  -7.785
  630   2HB   LEU  81          3HB       LEU  81  20.877  -6.464  -6.464
  631    HG   LEU  81           HG       LEU  81  22.388  -8.739  -8.739
  632   1HD1  LEU  81          2HD1      LEU  81  20.656  -7.251  -7.251
  633   2HD1  LEU  81          3HD1      LEU  81  22.116  -6.235  -6.235
  634   3HD1  LEU  81          1HD1      LEU  81  22.177  -7.929  -7.929
  635   1HD2  LEU  81          2HD2      LEU  81  23.435  -7.043  -7.043
  636   2HD2  LEU  81          3HD2      LEU  81  24.262  -7.364  -7.364
  637   3HD2  LEU  81          1HD2      LEU  81  23.293  -5.884  -5.884
  638    H    GLN  82           HN       GLN  82  18.701  -9.085  -9.085
  639    HA   GLN  82           HA       GLN  82  18.164  -6.767  -6.767
  640   1HB   GLN  82          2HB       GLN  82  16.551  -8.531  -8.531
  641   2HB   GLN  82          3HB       GLN  82  16.694  -9.383  -9.383
  642   1HG   GLN  82          2HG       GLN  82  15.693  -7.620  -7.620
  643   2HG   GLN  82          3HG       GLN  82  16.045  -6.423  -6.423
  644   1HE2  GLN  82          2HE2      GLN  82  12.827  -6.598  -6.598
  645   2HE2  GLN  82          1HE2      GLN  82  14.188  -5.674  -5.674
  646    H    GLU  83           HN       GLU  83  19.649  -9.918  -9.918
  647    HA   GLU  83           HA       GLU  83  19.383  -9.601  -9.601
  648   1HB   GLU  83          2HB       GLU  83  20.817 -11.638 -11.638
  649   2HB   GLU  83          3HB       GLU  83  20.884 -11.689 -11.689
  650   1HG   GLU  83          2HG       GLU  83  18.174 -11.478 -11.478
  651   2HG   GLU  83          3HG       GLU  83  18.998 -13.024 -13.024
  652    H    LEU  84           HN       LEU  84  21.630  -8.721  -8.721
  653    HA   LEU  84           HA       LEU  84  23.880  -8.461  -8.461
  654   1HB   LEU  84          2HB       LEU  84  24.305  -9.087  -9.087
  655   2HB   LEU  84          3HB       LEU  84  23.359  -7.755  -7.755
  656    HG   LEU  84           HG       LEU  84  25.768  -7.144  -7.144
  657   1HD1  LEU  84          3HD1      LEU  84  25.892  -8.753  -8.753
  658   2HD1  LEU  84          1HD1      LEU  84  26.565  -7.150  -7.150
  659   3HD1  LEU  84          2HD1      LEU  84  27.224  -8.093  -8.093
  660   1HD2  LEU  84          1HD2      LEU  84  24.355  -5.778  -5.778
  661   2HD2  LEU  84          2HD2      LEU  84  24.425  -5.267  -5.267
  662   3HD2  LEU  84          3HD2      LEU  84  25.893  -5.217  -5.217
  663    H    VAL  85           HN       VAL  85  21.176  -6.493  -6.493
  664    HA   VAL  85           HA       VAL  85  22.383  -4.021  -4.021
  665    HB   VAL  85           HB       VAL  85  19.636  -4.877  -4.877
  666   1HG1  VAL  85          1HG1      VAL  85  20.504  -2.312  -2.312
  667   2HG1  VAL  85          2HG1      VAL  85  19.459  -2.204  -2.204
  668   3HG1  VAL  85          3HG1      VAL  85  18.912  -3.108  -3.108
  669   1HG2  VAL  85          1HG2      VAL  85  21.987  -4.281  -4.281
  670   2HG2  VAL  85          2HG2      VAL  85  20.342  -4.378  -4.378
  671   3HG2  VAL  85          3HG2      VAL  85  20.997  -2.809  -2.809
  672    H    ASP  86           HN       ASP  86  20.198  -6.480  -6.480
  673    HA   ASP  86           HA       ASP  86  19.330  -4.941  -4.941
  674   1HB   ASP  86          2HB       ASP  86  19.557  -7.880  -7.880
  675   2HB   ASP  86          3HB       ASP  86  19.269  -7.439  -7.439
  676    H    HIS  87           HN       HIS  87  22.106  -7.234  -7.234
  677    HA   HIS  87           HA       HIS  87  23.019  -7.082  -7.082
  678   1HB   HIS  87          2HB       HIS  87  23.545  -8.861  -8.861
  679   2HB   HIS  87          3HB       HIS  87  24.609  -7.724  -7.724
  680    HD1  HIS  87           HD1      HIS  87  26.817  -7.013  -7.013
  681    HD2  HIS  87           HD2      HIS  87  24.573 -10.044 -10.044
  682    HE1  HIS  87           HE1      HIS  87  28.342  -8.070  -8.070
  683    H    TYR  88           HN       TYR  88  23.364  -4.991  -4.991
  684    HA   TYR  88           HA       TYR  88  25.604  -3.559  -3.559
  685   1HB   TYR  88          2HB       TYR  88  23.676  -3.496  -3.496
  686   2HB   TYR  88          3HB       TYR  88  24.545  -2.015  -2.015
  687    HD1  TYR  88           HD1      TYR  88  26.238  -5.154  -5.154
  688    HD2  TYR  88           HD2      TYR  88  25.578  -2.195  -2.195
  689    HE1  TYR  88           HE1      TYR  88  28.244  -6.022  -6.022
  690    HE2  TYR  88           HE2      TYR  88  27.586  -3.073  -3.073
  691    HH   TYR  88           HH       TYR  88  29.860  -4.475  -4.475
  692    H    LYS  89           HN       LYS  89  22.172  -3.577  -3.577
  693    HA   LYS  89           HA       LYS  89  22.045  -0.769  -0.769
  694   1HB   LYS  89          2HB       LYS  89  20.051  -3.033  -3.033
  695   2HB   LYS  89          3HB       LYS  89  19.660  -1.501  -1.501
  696   1HG   LYS  89          2HG       LYS  89  20.849  -0.789  -0.789
  697   2HG   LYS  89          3HG       LYS  89  19.841  -2.170  -2.170
  698   1HD   LYS  89          2HD       LYS  89  18.160  -0.722  -0.722
  699   2HD   LYS  89          3HD       LYS  89  19.052   0.565   0.565
  700   1HE   LYS  89          2HE       LYS  89  17.484   0.308   0.308
  701   2HE   LYS  89          3HE       LYS  89  18.519  -1.007  -1.007
  702   1HZ   LYS  89          3HZ       LYS  89  17.175  -2.450  -2.450
  703   2HZ   LYS  89          1HZ       LYS  89  16.136  -1.210  -1.210
  704   3HZ   LYS  89          2HZ       LYS  89  16.350  -1.839  -1.839
  705    H    LYS  90           HN       LYS  90  22.691  -3.866  -3.866
  706    HA   LYS  90           HA       LYS  90  22.138  -2.828  -2.828
  707   1HB   LYS  90          2HB       LYS  90  22.922  -5.486  -5.486
  708   2HB   LYS  90          3HB       LYS  90  23.205  -5.177  -5.177
  709   1HG   LYS  90          2HG       LYS  90  21.009  -5.481  -5.481
  710   2HG   LYS  90          3HG       LYS  90  20.551  -4.229  -4.229
  711   1HD   LYS  90          2HD       LYS  90  20.970  -6.070  -6.070
  712   2HD   LYS  90          3HD       LYS  90  20.875  -7.204  -7.204
  713   1HE   LYS  90          2HE       LYS  90  18.648  -5.750  -5.750
  714   2HE   LYS  90          3HE       LYS  90  18.719  -5.468  -5.468
  715   1HZ   LYS  90          2HZ       LYS  90  18.934  -7.919  -7.919
  716   2HZ   LYS  90          3HZ       LYS  90  18.589  -8.062  -8.062
  717   3HZ   LYS  90          1HZ       LYS  90  17.490  -7.413  -7.413
  718    H    GLY  91           HN       GLY  91  24.819  -3.201  -3.201
  719   1HA   GLY  91          1HA       GLY  91  26.494  -1.495  -1.495
  720   2HA   GLY  91          2HA       GLY  91  26.981  -3.159  -3.159
  721    H    ASN  92           HN       ASN  92  28.430  -0.978  -0.978
  722    HA   ASN  92           HA       ASN  92  28.200  -1.239  -1.239
  723   1HB   ASN  92          2HB       ASN  92  30.688  -0.477  -0.477
  724   2HB   ASN  92          3HB       ASN  92  29.526   0.578   0.578
  725   1HD2  ASN  92          2HD2      ASN  92  32.672  -0.460  -0.460
  726   2HD2  ASN  92          1HD2      ASN  92  32.482  -0.223  -0.223
  727    H    ASP  93           HN       ASP  93  30.295  -2.930  -2.930
  728    HA   ASP  93           HA       ASP  93  31.664  -4.631  -4.631
  729   1HB   ASP  93          2HB       ASP  93  29.167  -5.529  -5.529
  730   2HB   ASP  93          3HB       ASP  93  29.633  -5.969  -5.969
  731    H    GLY  94           HN       GLY  94  32.595  -2.822  -2.822
  732   1HA   GLY  94          1HA       GLY  94  34.278  -3.791  -3.791
  733   2HA   GLY  94          2HA       GLY  94  32.839  -4.192  -4.192
  734    H    LEU  95           HN       LEU  95  31.189  -1.925  -1.925
  735    HA   LEU  95           HA       LEU  95  32.376  -0.052  -0.052
  736   1HB   LEU  95          2HB       LEU  95  29.763  -0.094  -0.094
  737   2HB   LEU  95          3HB       LEU  95  30.223   1.176   1.176
  738    HG   LEU  95           HG       LEU  95  29.700  -1.736  -1.736
  739   1HD1  LEU  95          2HD1      LEU  95  28.341   0.851   0.851
  740   2HD1  LEU  95          3HD1      LEU  95  28.011  -0.716  -0.716
  741   3HD1  LEU  95          1HD1      LEU  95  27.677  -0.494  -0.494
  742   1HD2  LEU  95          1HD2      LEU  95  31.215   0.312   0.312
  743   2HD2  LEU  95          2HD2      LEU  95  31.410  -1.456  -1.456
  744   3HD2  LEU  95          3HD2      LEU  95  30.093  -0.746  -0.746
  745    H    CYS  96           HN       CYS  96  32.188   2.408   2.408
  746    HA   CYS  96           HA       CYS  96  33.871   2.724   2.724
  747   1HB   CYS  96          2HB       CYS  96  34.123   5.011   5.011
  748   2HB   CYS  96          3HB       CYS  96  34.265   3.962   3.962
  749    HG   CYS  96           HG       CYS  96  32.378   6.373   6.373
  750    H    GLN  97           HN       GLN  97  30.502   3.448   3.448
  751    HA   GLN  97           HA       GLN  97  29.926   4.028   4.028
  752   1HB   GLN  97          2HB       GLN  97  29.016   5.612   5.612
  753   2HB   GLN  97          3HB       GLN  97  28.201   5.726   5.726
  754   1HG   GLN  97          2HG       GLN  97  30.525   6.255   6.255
  755   2HG   GLN  97          3HG       GLN  97  31.096   6.444   6.444
  756   1HE2  GLN  97          2HE2      GLN  97  29.282   9.411   9.411
  757   2HE2  GLN  97          1HE2      GLN  97  29.942   7.957   7.957
  758    H    LYS  98           HN       LYS  98  27.948   3.181   3.181
  759    HA   LYS  98           HA       LYS  98  26.936   0.982   0.982
  760   1HB   LYS  98          2HB       LYS  98  25.531   0.643   0.643
  761   2HB   LYS  98          3HB       LYS  98  27.037   1.276   1.276
  762   1HG   LYS  98          2HG       LYS  98  26.102   3.469   3.469
  763   2HG   LYS  98          3HG       LYS  98  24.707   3.120   3.120
  764   1HD   LYS  98          2HD       LYS  98  24.434   1.134   1.134
  765   2HD   LYS  98          3HD       LYS  98  25.252   2.338   2.338
  766   1HE   LYS  98          2HE       LYS  98  23.526   4.014   4.014
  767   2HE   LYS  98          3HE       LYS  98  22.760   2.936   2.936
  768   1HZ   LYS  98          1HZ       LYS  98  22.330   1.414   1.414
  769   2HZ   LYS  98          2HZ       LYS  98  23.010   2.449   2.449
  770   3HZ   LYS  98          3HZ       LYS  98  21.643   2.870   2.870
  771    H    LEU  99           HN       LEU  99  24.615   0.673   0.673
  772    HA   LEU  99           HA       LEU  99  23.851   2.874   2.874
  773   1HB   LEU  99          2HB       LEU  99  22.775   0.093   0.093
  774   2HB   LEU  99          3HB       LEU  99  21.998   1.250   1.250
  775    HG   LEU  99           HG       LEU  99  24.717  -0.027  -0.027
  776   1HD1  LEU  99          1HD1      LEU  99  22.555  -1.142  -1.142
  777   2HD1  LEU  99          2HD1      LEU  99  22.493   0.136   0.136
  778   3HD1  LEU  99          3HD1      LEU  99  23.880  -0.979  -0.979
  779   1HD2  LEU  99          3HD2      LEU  99  23.764   2.576   2.576
  780   2HD2  LEU  99          1HD2      LEU  99  25.414   1.996   1.996
  781   3HD2  LEU  99          2HD2      LEU  99  24.576   1.492   1.492
  782    H    SER 100           HN       SER 100  21.877   4.060   4.060
  783    HA   SER 100           HA       SER 100  20.723   3.997   3.997
  784   1HB   SER 100          2HB       SER 100  20.185   6.380   6.380
  785   2HB   SER 100          3HB       SER 100  21.902   6.104   6.104
  786    HG   SER 100           HG       SER 100  20.196   7.254   7.254
  787    H    VAL 101           HN       VAL 101  19.651   5.480   5.480
  788    HA   VAL 101           HA       VAL 101  17.295   3.735   3.735
  789    HB   VAL 101           HB       VAL 101  15.927   5.652   5.652
  790   1HG1  VAL 101          1HG1      VAL 101  16.186   4.971   4.971
  791   2HG1  VAL 101          2HG1      VAL 101  17.406   6.256   6.256
  792   3HG1  VAL 101          3HG1      VAL 101  15.726   6.674   6.674
  793   1HG2  VAL 101          3HG2      VAL 101  18.562   6.999   6.999
  794   2HG2  VAL 101          1HG2      VAL 101  17.079   7.336   7.336
  795   3HG2  VAL 101          2HG2      VAL 101  17.243   7.935   7.935
  796    HA   PRO 102           HA       PRO 102  18.205   3.129   3.129
  797   1HB   PRO 102          2HB       PRO 102  15.784   2.329   2.329
  798   2HB   PRO 102          3HB       PRO 102  16.861   1.263   1.263
  799   1HG   PRO 102          2HG       PRO 102  14.362   2.548   2.548
  800   2HG   PRO 102          3HG       PRO 102  15.210   1.177   1.177
  801   1HD   PRO 102          2HD       PRO 102  15.205   3.867   3.867
  802   2HD   PRO 102          3HD       PRO 102  16.143   2.522   2.522
  803    H    CYS 103           HN       CYS 103  18.221   3.973   3.973
  804    HA   CYS 103           HA       CYS 103  17.910   6.623   6.623
  805   1HB   CYS 103          2HB       CYS 103  18.792   4.825   4.825
  806   2HB   CYS 103          3HB       CYS 103  17.188   4.970   4.970
  807    HG   CYS 103           HG       CYS 103  19.636   7.113   7.113
  808    H    MET 104           HN       MET 104  16.220   7.988   7.988
  809    HA   MET 104           HA       MET 104  13.598   7.027   7.027
  810   1HB   MET 104          2HB       MET 104  14.774   9.788   9.788
  811   2HB   MET 104          3HB       MET 104  13.051   9.555   9.555
  812   1HG   MET 104          2HG       MET 104  14.802   8.373   8.373
  813   2HG   MET 104          3HG       MET 104  14.765  10.123  10.123
  814   1HE   MET 104          1HE       MET 104  13.695   7.383   7.383
  815   2HE   MET 104          2HE       MET 104  12.037   7.625   7.625
  816   3HE   MET 104          3HE       MET 104  12.305   6.863   6.863
  817    H    SER 105           HN       SER 105  11.714   7.451   7.451
  818    HA   SER 105           HA       SER 105  12.452   7.876   7.876
  819   1HB   SER 105          2HB       SER 105  12.476   5.437   5.437
  820   2HB   SER 105          3HB       SER 105  10.908   5.457   5.457
  821    HG   SER 105           HG       SER 105  10.970   4.913   4.913
  822    H    SER 106           HN       SER 106  11.072   9.391   9.391
  823    HA   SER 106           HA       SER 106   8.389   9.466   9.466
  824   1HB   SER 106          2HB       SER 106  10.238  11.388  11.388
  825   2HB   SER 106          3HB       SER 106   9.603  12.034  12.034
  826    HG   SER 106           HG       SER 106   7.702  11.137  11.137
  827    H    LYS 107           HN       LYS 107   6.755   9.475   9.475
  828    HA   LYS 107           HA       LYS 107   7.054  10.648  10.648
  829   1HB   LYS 107          2HB       LYS 107   8.389   8.270   8.270
  830   2HB   LYS 107          3HB       LYS 107   6.802   7.732   7.732
  831   1HG   LYS 107          2HG       LYS 107   6.801   9.316   9.316
  832   2HG   LYS 107          3HG       LYS 107   8.294  10.045  10.045
  833   1HD   LYS 107          2HD       LYS 107   9.594   8.129   8.129
  834   2HD   LYS 107          3HD       LYS 107   8.196   7.074   7.074
  835   1HE   LYS 107          2HE       LYS 107   7.388   8.093   8.093
  836   2HE   LYS 107          3HE       LYS 107   8.573   9.381   9.381
  837   1HZ   LYS 107          3HZ       LYS 107   9.645   6.714   6.714
  838   2HZ   LYS 107          1HZ       LYS 107   8.943   7.170   7.170
  839   3HZ   LYS 107          2HZ       LYS 107  10.176   8.045   8.045

  Start of MODEL   17
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.542  -0.685  -0.685
    3   1HB   MET   1          2HB       MET   1   2.225   2.139   2.139
    4   2HB   MET   1          3HB       MET   1   2.971   1.527   1.527
    5   1HG   MET   1          2HG       MET   1   1.027   1.685   1.685
    6   2HG   MET   1          3HG       MET   1   0.073   0.963   0.963
    7   1HE   MET   1          2HE       MET   1  -1.307   2.567   2.567
    8   2HE   MET   1          3HE       MET   1  -1.944   3.978   3.978
    9   3HE   MET   1          1HE       MET   1  -0.687   4.196   4.196
   10    H    GLU   2           HN       GLU   2   2.932  -2.442  -2.442
   11    HA   GLU   2           HA       GLU   2   4.806  -3.489  -3.489
   12   1HB   GLU   2          2HB       GLU   2   6.114  -0.905  -0.905
   13   2HB   GLU   2          3HB       GLU   2   6.907  -2.465  -2.465
   14   1HG   GLU   2          2HG       GLU   2   6.044  -3.054  -3.054
   15   2HG   GLU   2          3HG       GLU   2   4.412  -2.799  -2.799
   16    H    THR   3           HN       THR   3   4.727  -3.795  -3.795
   17    HA   THR   3           HA       THR   3   6.587  -2.104  -2.104
   18    HB   THR   3           HB       THR   3   4.751  -2.232  -2.232
   19    HG1  THR   3           HG1      THR   3   3.391  -3.695  -3.695
   20   1HG2  THR   3          1HG2      THR   3   5.373  -0.128  -0.128
   21   2HG2  THR   3          2HG2      THR   3   3.983  -0.554  -0.554
   22   3HG2  THR   3          3HG2      THR   3   3.734  -0.167  -0.167
   23    H    GLU   4           HN       GLU   4   6.483  -3.219  -3.219
   24    HA   GLU   4           HA       GLU   4   7.443  -5.863  -5.863
   25   1HB   GLU   4          2HB       GLU   4   8.075  -3.797  -3.797
   26   2HB   GLU   4          3HB       GLU   4   7.775  -5.316  -5.316
   27   1HG   GLU   4          2HG       GLU   4  10.033  -5.582  -5.582
   28   2HG   GLU   4          3HG       GLU   4   9.327  -6.323  -6.323
   29    H    GLU   5           HN       GLU   5   6.145  -7.627  -7.627
   30    HA   GLU   5           HA       GLU   5   4.006  -7.383  -7.383
   31   1HB   GLU   5          2HB       GLU   5   4.053  -8.758  -8.758
   32   2HB   GLU   5          3HB       GLU   5   2.846  -9.152  -9.152
   33   1HG   GLU   5          2HG       GLU   5   2.038  -6.843  -6.843
   34   2HG   GLU   5          3HG       GLU   5   3.363  -6.302  -6.302
   35    H    TRP   6           HN       TRP   6   6.398  -8.151  -8.151
   36    HA   TRP   6           HA       TRP   6   6.668 -11.021 -11.021
   37   1HB   TRP   6          2HB       TRP   6   8.439 -10.519 -10.519
   38   2HB   TRP   6          3HB       TRP   6   8.731 -10.036 -10.036
   39    HD1  TRP   6           HD1      TRP   6   9.315  -7.493  -7.493
   40    HE1  TRP   6           HE1      TRP   6   9.357  -5.279  -5.279
   41    HE3  TRP   6           HE3      TRP   6   7.009  -9.469  -9.469
   42    HZ2  TRP   6           HZ2      TRP   6   8.441  -4.617  -4.617
   43    HZ3  TRP   6           HZ3      TRP   6   6.620  -7.971  -7.971
   44    HH2  TRP   6           HH2      TRP   6   7.296  -5.622  -5.622
   45    H    PHE   7           HN       PHE   7   4.903  -8.618  -8.618
   46    HA   PHE   7           HA       PHE   7   4.569 -10.382 -10.382
   47   1HB   PHE   7          2HB       PHE   7   4.831  -8.070  -8.070
   48   2HB   PHE   7          3HB       PHE   7   3.945  -7.516  -7.516
   49    HD1  PHE   7           HD1      PHE   7   3.082  -9.867  -9.867
   50    HD2  PHE   7           HD2      PHE   7   2.091  -6.325  -6.325
   51    HE1  PHE   7           HE1      PHE   7   1.017  -9.606  -9.606
   52    HE2  PHE   7           HE2      PHE   7   0.026  -6.064  -6.064
   53   1HZ   PHE   7           HZ       PHE   7  -0.487  -7.708  -7.708
   54    H    PHE   8           HN       PHE   8   2.836 -11.719 -11.719
   55    HA   PHE   8           HA       PHE   8   0.616 -11.318 -11.318
   56   1HB   PHE   8          2HB       PHE   8   1.817 -13.734 -13.734
   57   2HB   PHE   8          3HB       PHE   8   0.286 -13.840 -13.840
   58    HD1  PHE   8           HD1      PHE   8   3.849 -12.909 -12.909
   59    HD2  PHE   8           HD2      PHE   8   0.258 -14.429 -14.429
   60    HE1  PHE   8           HE1      PHE   8   5.063 -13.423 -13.423
   61    HE2  PHE   8           HE2      PHE   8   1.472 -14.943 -14.943
   62   1HZ   PHE   8           HZ       PHE   8   3.860 -14.434 -14.434
   63    H    LYS   9           HN       LYS   9  -1.563 -11.574 -11.574
   64    HA   LYS   9           HA       LYS   9  -1.756 -11.189 -11.189
   65   1HB   LYS   9          2HB       LYS   9  -3.236 -10.057 -10.057
   66   2HB   LYS   9          3HB       LYS   9  -4.121 -10.302 -10.302
   67   1HG   LYS   9          2HG       LYS   9  -3.071  -8.562  -8.562
   68   2HG   LYS   9          3HG       LYS   9  -1.488  -9.097  -9.097
   69   1HD   LYS   9          2HD       LYS   9  -1.780  -6.989  -6.989
   70   2HD   LYS   9          3HD       LYS   9  -2.098  -8.161  -8.161
   71   1HE   LYS   9          2HE       LYS   9  -4.392  -7.720  -7.720
   72   2HE   LYS   9          3HE       LYS   9  -4.450  -7.279  -7.279
   73   1HZ   LYS   9          3HZ       LYS   9  -2.959  -5.341  -5.341
   74   2HZ   LYS   9          1HZ       LYS   9  -3.691  -5.658  -5.658
   75   3HZ   LYS   9          2HZ       LYS   9  -4.585  -5.260  -5.260
   76    H    GLY  10           HN       GLY  10  -3.455 -12.291 -12.291
   77   1HA   GLY  10          1HA       GLY  10  -4.373 -14.290 -14.290
   78   2HA   GLY  10          2HA       GLY  10  -5.377 -13.949 -13.949
   79    H    ILE  11           HN       ILE  11  -2.014 -15.170 -15.170
   80    HA   ILE  11           HA       ILE  11  -2.457 -17.128 -17.128
   81    HB   ILE  11           HB       ILE  11  -0.466 -15.268 -15.268
   82   1HG1  ILE  11          2HG1      ILE  11  -0.454 -17.927 -17.927
   83   2HG1  ILE  11          3HG1      ILE  11  -1.095 -16.408 -16.408
   84   1HG2  ILE  11          2HG2      ILE  11   0.381 -16.646 -16.646
   85   2HG2  ILE  11          3HG2      ILE  11   0.826 -17.885 -17.885
   86   3HG2  ILE  11          1HG2      ILE  11   1.552 -16.263 -16.263
   87   1HD1  ILE  11          3HD1      ILE  11   1.520 -15.736 -15.736
   88   2HD1  ILE  11          1HD1      ILE  11   1.685 -17.367 -17.367
   89   3HD1  ILE  11          2HD1      ILE  11   0.957 -16.059 -16.059
   90    H    SER  12           HN       SER  12  -1.381 -19.294 -19.294
   91    HA   SER  12           HA       SER  12  -1.708 -19.955 -19.955
   92   1HB   SER  12          2HB       SER  12  -2.598 -22.032 -22.032
   93   2HB   SER  12          3HB       SER  12  -3.228 -20.983 -20.983
   94    HG   SER  12           HG       SER  12  -2.385 -22.642 -22.642
   95    H    ARG  13           HN       ARG  13  -0.228 -21.649 -21.649
   96    HA   ARG  13           HA       ARG  13   2.398 -21.117 -21.117
   97   1HB   ARG  13          2HB       ARG  13   1.689 -21.724 -21.724
   98   2HB   ARG  13          3HB       ARG  13   1.301 -23.345 -23.345
   99   1HG   ARG  13          2HG       ARG  13   4.037 -22.506 -22.506
  100   2HG   ARG  13          3HG       ARG  13   3.782 -22.501 -22.501
  101   1HD   ARG  13          2HD       ARG  13   3.288 -24.821 -24.821
  102   2HD   ARG  13          3HD       ARG  13   2.846 -24.885 -24.885
  103    HE   ARG  13           HE       ARG  13   5.565 -24.115 -24.115
  104   1HH1  ARG  13          2HH2      ARG  13   3.625 -26.891 -26.891
  105   2HH1  ARG  13          1HH2      ARG  13   4.915 -28.027 -28.027
  106   1HH2  ARG  13          2HH1      ARG  13   7.267 -25.614 -25.614
  107   2HH2  ARG  13          1HH1      ARG  13   7.000 -27.296 -27.296
  108    H    LYS  14           HN       LYS  14   0.011 -23.588 -23.588
  109    HA   LYS  14           HA       LYS  14   1.956 -25.417 -25.417
  110   1HB   LYS  14          2HB       LYS  14  -1.059 -25.308 -25.308
  111   2HB   LYS  14          3HB       LYS  14  -0.212 -26.498 -26.498
  112   1HG   LYS  14          2HG       LYS  14   1.008 -27.298 -27.298
  113   2HG   LYS  14          3HG       LYS  14   0.218 -26.077 -26.077
  114   1HD   LYS  14          2HD       LYS  14  -2.003 -27.082 -27.082
  115   2HD   LYS  14          3HD       LYS  14  -1.244 -28.277 -28.277
  116   1HE   LYS  14          2HE       LYS  14   0.113 -28.331 -28.331
  117   2HE   LYS  14          3HE       LYS  14  -1.611 -28.364 -28.364
  118   1HZ   LYS  14          3HZ       LYS  14  -1.596 -30.117 -30.117
  119   2HZ   LYS  14          1HZ       LYS  14  -0.007 -30.262 -30.262
  120   3HZ   LYS  14          2HZ       LYS  14  -1.124 -30.547 -30.547
  121    H    ASP  15           HN       ASP  15  -0.294 -22.893 -22.893
  122    HA   ASP  15           HA       ASP  15   0.100 -23.458 -23.458
  123   1HB   ASP  15          2HB       ASP  15  -0.754 -21.027 -21.027
  124   2HB   ASP  15          3HB       ASP  15  -0.445 -20.839 -20.839
  125    H    ALA  16           HN       ALA  16   1.660 -21.098 -21.098
  126    HA   ALA  16           HA       ALA  16   3.380 -19.913 -19.913
  127   1HB   ALA  16          1HB       ALA  16   3.449 -20.339 -20.339
  128   2HB   ALA  16          2HB       ALA  16   4.720 -19.431 -19.431
  129   3HB   ALA  16          3HB       ALA  16   3.034 -18.862 -18.862
  130    H    GLU  17           HN       GLU  17   3.539 -22.994 -22.994
  131    HA   GLU  17           HA       GLU  17   6.274 -23.398 -23.398
  132   1HB   GLU  17          2HB       GLU  17   4.028 -25.009 -25.009
  133   2HB   GLU  17          3HB       GLU  17   5.418 -25.893 -25.893
  134   1HG   GLU  17          2HG       GLU  17   6.525 -23.719 -23.719
  135   2HG   GLU  17          3HG       GLU  17   5.167 -24.246 -24.246
  136    H    ARG  18           HN       ARG  18   3.318 -23.712 -23.712
  137    HA   ARG  18           HA       ARG  18   4.430 -25.699 -25.699
  138   1HB   ARG  18          2HB       ARG  18   1.763 -24.522 -24.522
  139   2HB   ARG  18          3HB       ARG  18   2.073 -24.732 -24.732
  140   1HG   ARG  18          2HG       ARG  18   1.267 -26.852 -26.852
  141   2HG   ARG  18          3HG       ARG  18   2.957 -27.143 -27.143
  142   1HD   ARG  18          2HD       ARG  18   2.575 -26.801 -26.801
  143   2HD   ARG  18          3HD       ARG  18   0.930 -26.269 -26.269
  144    HE   ARG  18           HE       ARG  18   0.925 -28.766 -28.766
  145   1HH1  ARG  18          2HH2      ARG  18   1.979 -27.600 -27.600
  146   2HH1  ARG  18          1HH2      ARG  18   1.638 -29.093 -29.093
  147   1HH2  ARG  18          2HH1      ARG  18   0.475 -30.736 -30.736
  148   2HH2  ARG  18          1HH1      ARG  18   0.778 -30.889 -30.889
  149    H    GLN  19           HN       GLN  19   3.896 -22.193 -22.193
  150    HA   GLN  19           HA       GLN  19   4.293 -21.736 -21.736
  151   1HB   GLN  19          2HB       GLN  19   4.389 -19.832 -19.832
  152   2HB   GLN  19          3HB       GLN  19   4.401 -19.326 -19.326
  153   1HG   GLN  19          2HG       GLN  19   2.203 -20.815 -20.815
  154   2HG   GLN  19          3HG       GLN  19   2.159 -20.626 -20.626
  155   1HE2  GLN  19          2HE2      GLN  19   1.185 -17.278 -17.278
  156   2HE2  GLN  19          1HE2      GLN  19   1.746 -18.665 -18.665
  157    H    LEU  20           HN       LEU  20   6.327 -22.054 -22.054
  158    HA   LEU  20           HA       LEU  20   8.606 -20.842 -20.842
  159   1HB   LEU  20          2HB       LEU  20   8.036 -22.102 -22.102
  160   2HB   LEU  20          3HB       LEU  20   9.694 -21.868 -21.868
  161    HG   LEU  20           HG       LEU  20   7.663 -19.627 -19.627
  162   1HD1  LEU  20          1HD1      LEU  20   8.006 -20.661 -20.661
  163   2HD1  LEU  20          2HD1      LEU  20   9.750 -20.332 -20.332
  164   3HD1  LEU  20          3HD1      LEU  20   8.590 -18.982 -18.982
  165   1HD2  LEU  20          1HD2      LEU  20   9.589 -19.275 -19.275
  166   2HD2  LEU  20          2HD2      LEU  20   9.576 -18.153 -18.153
  167   3HD2  LEU  20          3HD2      LEU  20  10.689 -19.542 -19.542
  168    H    LEU  21           HN       LEU  21   7.543 -24.156 -24.156
  169    HA   LEU  21           HA       LEU  21   9.826 -25.391 -25.391
  170   1HB   LEU  21          2HB       LEU  21   7.184 -26.353 -26.353
  171   2HB   LEU  21          3HB       LEU  21   8.293 -27.454 -27.454
  172    HG   LEU  21           HG       LEU  21   9.228 -25.745 -25.745
  173   1HD1  LEU  21          1HD1      LEU  21   7.070 -27.466 -27.466
  174   2HD1  LEU  21          2HD1      LEU  21   8.459 -28.447 -28.447
  175   3HD1  LEU  21          3HD1      LEU  21   8.125 -26.883 -26.883
  176   1HD2  LEU  21          3HD2      LEU  21  10.397 -27.733 -27.733
  177   2HD2  LEU  21          1HD2      LEU  21  11.133 -26.823 -26.823
  178   3HD2  LEU  21          2HD2      LEU  21  10.317 -28.373 -28.373
  179    H    ALA  22           HN       ALA  22   7.048 -23.906 -23.906
  180    HA   ALA  22           HA       ALA  22   6.444 -25.580 -25.580
  181   1HB   ALA  22          2HB       ALA  22   5.924 -22.865 -22.865
  182   2HB   ALA  22          3HB       ALA  22   6.204 -22.900 -22.900
  183   3HB   ALA  22          1HB       ALA  22   4.937 -23.921 -23.921
  184    HA   PRO  23           HA       PRO  23   9.771 -25.151 -25.151
  185   1HB   PRO  23          2HB       PRO  23   8.596 -25.233 -25.233
  186   2HB   PRO  23          3HB       PRO  23   8.880 -26.661 -26.661
  187   1HG   PRO  23          2HG       PRO  23   6.339 -25.239 -25.239
  188   2HG   PRO  23          3HG       PRO  23   6.585 -26.868 -26.868
  189   1HD   PRO  23          2HD       PRO  23   5.840 -24.568 -24.568
  190   2HD   PRO  23          3HD       PRO  23   6.200 -26.170 -26.170
  191    H    GLY  24           HN       GLY  24   7.246 -22.823 -22.823
  192   1HA   GLY  24          1HA       GLY  24   8.382 -21.057 -21.057
  193   2HA   GLY  24          2HA       GLY  24   7.307 -20.632 -20.632
  194    H    ASN  25           HN       ASN  25   8.919 -21.438 -21.438
  195    HA   ASN  25           HA       ASN  25  10.901 -19.333 -19.333
  196   1HB   ASN  25          2HB       ASN  25   9.615 -20.778 -20.778
  197   2HB   ASN  25          3HB       ASN  25  10.914 -19.618 -19.618
  198   1HD2  ASN  25          2HD2      ASN  25   7.055 -18.476 -18.476
  199   2HD2  ASN  25          1HD2      ASN  25   7.578 -20.125 -20.125
  200    H    MET  26           HN       MET  26  12.924 -19.863 -19.863
  201    HA   MET  26           HA       MET  26  13.562 -22.654 -22.654
  202   1HB   MET  26          2HB       MET  26  15.576 -22.450 -22.450
  203   2HB   MET  26          3HB       MET  26  14.216 -21.857 -21.857
  204   1HG   MET  26          2HG       MET  26  14.862 -19.495 -19.495
  205   2HG   MET  26          3HG       MET  26  16.392 -20.244 -20.244
  206   1HE   MET  26          3HE       MET  26  13.800 -19.461 -19.461
  207   2HE   MET  26          1HE       MET  26  14.852 -18.249 -18.249
  208   3HE   MET  26          2HE       MET  26  14.441 -19.750 -19.750
  209    H    LEU  27           HN       LEU  27  15.720 -23.031 -23.031
  210    HA   LEU  27           HA       LEU  27  15.856 -21.837 -21.837
  211   1HB   LEU  27          2HB       LEU  27  17.704 -23.358 -23.358
  212   2HB   LEU  27          3HB       LEU  27  18.502 -22.370 -22.370
  213    HG   LEU  27           HG       LEU  27  16.245 -23.890 -23.890
  214   1HD1  LEU  27          1HD1      LEU  27  17.397 -25.327 -25.327
  215   2HD1  LEU  27          2HD1      LEU  27  18.567 -25.647 -25.647
  216   3HD1  LEU  27          3HD1      LEU  27  16.848 -26.045 -26.045
  217   1HD2  LEU  27          1HD2      LEU  27  18.204 -22.607 -22.607
  218   2HD2  LEU  27          2HD2      LEU  27  17.621 -24.140 -24.140
  219   3HD2  LEU  27          3HD2      LEU  27  19.111 -24.113 -24.113
  220    H    GLY  28           HN       GLY  28  15.805 -19.698 -19.698
  221   1HA   GLY  28          1HA       GLY  28  17.586 -17.898 -17.898
  222   2HA   GLY  28          2HA       GLY  28  17.526 -17.914 -17.914
  223    H    SER  29           HN       SER  29  14.467 -18.671 -18.671
  224    HA   SER  29           HA       SER  29  13.621 -15.971 -15.971
  225   1HB   SER  29          2HB       SER  29  11.957 -18.527 -18.527
  226   2HB   SER  29          3HB       SER  29  11.401 -16.956 -16.956
  227    HG   SER  29           HG       SER  29  12.362 -17.234 -17.234
  228    H    PHE  30           HN       PHE  30  12.622 -14.707 -14.707
  229    HA   PHE  30           HA       PHE  30  11.992 -16.072 -16.072
  230   1HB   PHE  30          2HB       PHE  30  12.956 -14.172 -14.172
  231   2HB   PHE  30          3HB       PHE  30  14.032 -14.402 -14.402
  232    HD1  PHE  30           HD1      PHE  30  13.747 -12.941 -12.941
  233    HD2  PHE  30           HD2      PHE  30  11.718 -12.173 -12.173
  234    HE1  PHE  30           HE1      PHE  30  13.322 -10.579 -10.579
  235    HE2  PHE  30           HE2      PHE  30  11.292  -9.810  -9.810
  236   1HZ   PHE  30           HZ       PHE  30  12.100  -9.042  -9.042
  237    H    MET  31           HN       MET  31  10.239 -15.081 -15.081
  238    HA   MET  31           HA       MET  31   8.593 -13.191 -13.191
  239   1HB   MET  31          2HB       MET  31   6.592 -14.660 -14.660
  240   2HB   MET  31          3HB       MET  31   7.870 -15.440 -15.440
  241   1HG   MET  31          2HG       MET  31   8.087 -17.149 -17.149
  242   2HG   MET  31          3HG       MET  31   7.949 -16.076 -16.076
  243   1HE   MET  31          1HE       MET  31   5.511 -16.111 -16.111
  244   2HE   MET  31          2HE       MET  31   5.902 -17.844 -17.844
  245   3HE   MET  31          3HE       MET  31   4.262 -17.277 -17.277
  246    H    ILE  32           HN       ILE  32   6.917 -12.248 -12.248
  247    HA   ILE  32           HA       ILE  32   7.331 -12.910 -12.910
  248    HB   ILE  32           HB       ILE  32   7.232 -10.221 -10.221
  249   1HG1  ILE  32          2HG1      ILE  32   9.199 -11.298 -11.298
  250   2HG1  ILE  32          3HG1      ILE  32   9.410 -11.508 -11.508
  251   1HG2  ILE  32          1HG2      ILE  32   6.528 -10.958 -10.958
  252   2HG2  ILE  32          2HG2      ILE  32   7.353  -9.417  -9.417
  253   3HG2  ILE  32          3HG2      ILE  32   5.780  -9.768  -9.768
  254   1HD1  ILE  32          1HD1      ILE  32   9.192  -8.981  -8.981
  255   2HD1  ILE  32          2HD1      ILE  32   9.226  -8.869  -8.869
  256   3HD1  ILE  32          3HD1      ILE  32  10.632  -9.518  -9.518
  257    H    ARG  33           HN       ARG  33   5.474 -12.786 -12.786
  258    HA   ARG  33           HA       ARG  33   3.012 -12.067 -12.067
  259   1HB   ARG  33          2HB       ARG  33   1.910 -14.195 -14.195
  260   2HB   ARG  33          3HB       ARG  33   3.427 -14.548 -14.548
  261   1HG   ARG  33          2HG       ARG  33   4.431 -14.995 -14.995
  262   2HG   ARG  33          3HG       ARG  33   2.805 -14.881 -14.881
  263   1HD   ARG  33          2HD       ARG  33   2.078 -16.845 -16.845
  264   2HD   ARG  33          3HD       ARG  33   3.312 -16.735 -16.735
  265    HE   ARG  33           HE       ARG  33   4.858 -17.786 -17.786
  266   1HH1  ARG  33          2HH2      ARG  33   1.939 -16.924 -16.924
  267   2HH1  ARG  33          1HH2      ARG  33   2.364 -17.844 -17.844
  268   1HH2  ARG  33          2HH1      ARG  33   5.419 -19.000 -19.000
  269   2HH2  ARG  33          1HH1      ARG  33   4.356 -19.033 -19.033
  270    H    ASP  34           HN       ASP  34   1.330 -11.590 -11.590
  271    HA   ASP  34           HA       ASP  34   2.420 -11.122 -11.122
  272   1HB   ASP  34          2HB       ASP  34   0.979  -9.469  -9.469
  273   2HB   ASP  34          3HB       ASP  34  -0.386 -10.527 -10.527
  274    H    SER  35           HN       SER  35   1.029 -11.723 -11.723
  275    HA   SER  35           HA       SER  35   0.357 -14.442 -14.442
  276   1HB   SER  35          2HB       SER  35   1.314 -13.317 -13.317
  277   2HB   SER  35          3HB       SER  35  -0.183 -12.428 -12.428
  278    HG   SER  35           HG       SER  35   0.239 -14.612 -14.612
  279    H    GLU  36           HN       GLU  36  -1.825 -15.327 -15.327
  280    HA   GLU  36           HA       GLU  36  -3.925 -13.679 -13.679
  281   1HB   GLU  36          2HB       GLU  36  -3.194 -16.465 -16.465
  282   2HB   GLU  36          3HB       GLU  36  -4.816 -16.378 -16.378
  283   1HG   GLU  36          2HG       GLU  36  -5.207 -14.535 -14.535
  284   2HG   GLU  36          3HG       GLU  36  -3.771 -15.210 -15.210
  285    H    THR  37           HN       THR  37  -2.995 -15.777 -15.777
  286    HA   THR  37           HA       THR  37  -5.481 -15.115 -15.115
  287    HB   THR  37           HB       THR  37  -4.580 -16.792 -16.792
  288    HG1  THR  37           HG1      THR  37  -2.493 -17.716 -17.716
  289   1HG2  THR  37          1HG2      THR  37  -5.300 -17.343 -17.343
  290   2HG2  THR  37          2HG2      THR  37  -3.899 -18.371 -18.371
  291   3HG2  THR  37          3HG2      THR  37  -5.371 -18.460 -18.460
  292    H    THR  38           HN       THR  38  -1.958 -15.037 -15.037
  293    HA   THR  38           HA       THR  38  -2.545 -12.966 -12.966
  294    HB   THR  38           HB       THR  38  -0.037 -14.502 -14.502
  295    HG1  THR  38           HG1      THR  38  -0.540 -15.252 -15.252
  296   1HG2  THR  38          2HG2      THR  38  -0.481 -12.314 -12.314
  297   2HG2  THR  38          3HG2      THR  38   0.723 -13.595 -13.595
  298   3HG2  THR  38          1HG2      THR  38   0.884 -12.507 -12.507
  299    H    LYS  39           HN       LYS  39  -3.445 -11.600 -11.600
  300    HA   LYS  39           HA       LYS  39  -1.881 -10.524 -10.524
  301   1HB   LYS  39          2HB       LYS  39  -3.404  -8.549  -8.549
  302   2HB   LYS  39          3HB       LYS  39  -4.225 -10.094 -10.094
  303   1HG   LYS  39          2HG       LYS  39  -5.138  -9.867  -9.867
  304   2HG   LYS  39          3HG       LYS  39  -3.636  -9.297  -9.297
  305   1HD   LYS  39          2HD       LYS  39  -4.202  -7.090  -7.090
  306   2HD   LYS  39          3HD       LYS  39  -4.863  -7.341  -7.341
  307   1HE   LYS  39          2HE       LYS  39  -7.006  -7.699  -7.699
  308   2HE   LYS  39          3HE       LYS  39  -6.458  -8.567  -8.567
  309   1HZ   LYS  39          2HZ       LYS  39  -5.602  -5.951  -5.951
  310   2HZ   LYS  39          3HZ       LYS  39  -7.173  -5.892  -5.892
  311   3HZ   LYS  39          1HZ       LYS  39  -6.732  -6.721  -6.721
  312    H    GLY  40           HN       GLY  40  -0.712  -8.461  -8.461
  313   1HA   GLY  40          1HA       GLY  40   0.444  -6.671  -6.671
  314   2HA   GLY  40          2HA       GLY  40   0.293  -7.383  -7.383
  315    H    SER  41           HN       SER  41   1.050 -10.124 -10.124
  316    HA   SER  41           HA       SER  41   3.905  -9.581  -9.581
  317   1HB   SER  41          2HB       SER  41   2.305 -12.125 -12.125
  318   2HB   SER  41          3HB       SER  41   4.056 -12.091 -12.091
  319    HG   SER  41           HG       SER  41   2.971 -11.865 -11.865
  320    H    TYR  42           HN       TYR  42   5.316 -10.416 -10.416
  321    HA   TYR  42           HA       TYR  42   3.892 -11.333 -11.333
  322   1HB   TYR  42          2HB       TYR  42   6.271  -9.533  -9.533
  323   2HB   TYR  42          3HB       TYR  42   6.267 -10.358 -10.358
  324    HD1  TYR  42           HD1      TYR  42   4.511  -7.845  -7.845
  325    HD2  TYR  42           HD2      TYR  42   4.809  -9.662  -9.662
  326    HE1  TYR  42           HE1      TYR  42   3.052  -6.010  -6.010
  327    HE2  TYR  42           HE2      TYR  42   3.350  -7.821  -7.821
  328    HH   TYR  42           HH       TYR  42   2.664  -5.653  -5.653
  329    H    SER  43           HN       SER  43   5.144 -12.799 -12.799
  330    HA   SER  43           HA       SER  43   7.240 -14.223 -14.223
  331   1HB   SER  43          2HB       SER  43   4.968 -15.707 -15.707
  332   2HB   SER  43          3HB       SER  43   6.242 -16.391 -16.391
  333    HG   SER  43           HG       SER  43   3.853 -15.708 -15.708
  334    H    LEU  44           HN       LEU  44   8.971 -14.431 -14.431
  335    HA   LEU  44           HA       LEU  44   8.479 -14.003 -14.003
  336   1HB   LEU  44          2HB       LEU  44  10.138 -12.590 -12.590
  337   2HB   LEU  44          3HB       LEU  44  10.848 -13.804 -13.804
  338    HG   LEU  44           HG       LEU  44  11.559 -15.031 -15.031
  339   1HD1  LEU  44          1HD1      LEU  44   9.986 -13.066 -13.066
  340   2HD1  LEU  44          2HD1      LEU  44  11.669 -12.629 -12.629
  341   3HD1  LEU  44          3HD1      LEU  44  11.056 -14.250 -14.250
  342   1HD2  LEU  44          2HD2      LEU  44  12.924 -13.437 -13.437
  343   2HD2  LEU  44          3HD2      LEU  44  13.607 -13.984 -13.984
  344   3HD2  LEU  44          1HD2      LEU  44  12.901 -12.355 -12.355
  345    H    SER  45           HN       SER  45   9.276 -15.456 -15.456
  346    HA   SER  45           HA       SER  45  10.017 -18.070 -18.070
  347   1HB   SER  45          2HB       SER  45   7.982 -17.786 -17.786
  348   2HB   SER  45          3HB       SER  45   8.393 -19.228 -19.228
  349    HG   SER  45           HG       SER  45   6.418 -18.430 -18.430
  350    H    VAL  46           HN       VAL  46  11.763 -18.886 -18.886
  351    HA   VAL  46           HA       VAL  46  12.186 -17.875 -17.875
  352    HB   VAL  46           HB       VAL  46  14.242 -18.036 -18.036
  353   1HG1  VAL  46          2HG1      VAL  46  14.488 -17.961 -17.961
  354   2HG1  VAL  46          3HG1      VAL  46  15.424 -16.701 -16.701
  355   3HG1  VAL  46          1HG1      VAL  46  15.678 -18.416 -18.416
  356   1HG2  VAL  46          3HG2      VAL  46  12.434 -15.980 -15.980
  357   2HG2  VAL  46          1HG2      VAL  46  13.863 -15.874 -15.874
  358   3HG2  VAL  46          2HG2      VAL  46  14.001 -15.470 -15.470
  359    H    ARG  47           HN       ARG  47  13.232 -19.363 -19.363
  360    HA   ARG  47           HA       ARG  47  12.740 -22.042 -22.042
  361   1HB   ARG  47          2HB       ARG  47  12.358 -21.235 -21.235
  362   2HB   ARG  47          3HB       ARG  47  14.055 -20.829 -20.829
  363   1HG   ARG  47          2HG       ARG  47  14.222 -22.918 -22.918
  364   2HG   ARG  47          3HG       ARG  47  14.282 -23.458 -23.458
  365   1HD   ARG  47          2HD       ARG  47  12.022 -24.151 -24.151
  366   2HD   ARG  47          3HD       ARG  47  11.576 -23.071 -23.071
  367    HE   ARG  47           HE       ARG  47  12.861 -25.720 -25.720
  368   1HH1  ARG  47          2HH2      ARG  47  11.897 -22.729 -22.729
  369   2HH1  ARG  47          1HH2      ARG  47  11.952 -23.406 -23.406
  370   1HH2  ARG  47          2HH1      ARG  47  12.934 -26.613 -26.613
  371   2HH2  ARG  47          1HH1      ARG  47  12.546 -25.630 -25.630
  372    H    ASP  48           HN       ASP  48  14.261 -23.702 -23.702
  373    HA   ASP  48           HA       ASP  48  17.050 -22.996 -22.996
  374   1HB   ASP  48          2HB       ASP  48  16.130 -22.409 -22.409
  375   2HB   ASP  48          3HB       ASP  48  15.866 -24.126 -24.126
  376    H    TYR  49           HN       TYR  49  18.435 -25.048 -25.048
  377    HA   TYR  49           HA       TYR  49  16.873 -27.504 -27.504
  378   1HB   TYR  49          2HB       TYR  49  17.852 -26.389 -26.389
  379   2HB   TYR  49          3HB       TYR  49  19.443 -26.654 -26.654
  380    HD1  TYR  49           HD1      TYR  49  20.156 -29.069 -29.069
  381    HD2  TYR  49           HD2      TYR  49  16.756 -28.096 -28.096
  382    HE1  TYR  49           HE1      TYR  49  20.196 -31.401 -31.401
  383    HE2  TYR  49           HE2      TYR  49  16.807 -30.431 -30.431
  384    HH   TYR  49           HH       TYR  49  19.309 -32.760 -32.760
  385    H    ASP  50           HN       ASP  50  18.125 -29.491 -29.491
  386    HA   ASP  50           HA       ASP  50  20.393 -28.890 -28.890
  387   1HB   ASP  50          2HB       ASP  50  17.830 -30.243 -30.243
  388   2HB   ASP  50          3HB       ASP  50  19.235 -31.181 -31.181
  389    HA   PRO  51           HA       PRO  51  22.091 -32.208 -32.208
  390   1HB   PRO  51          2HB       PRO  51  24.300 -32.787 -32.787
  391   2HB   PRO  51          3HB       PRO  51  24.240 -31.462 -31.462
  392   1HG   PRO  51          2HG       PRO  51  24.122 -31.367 -31.367
  393   2HG   PRO  51          3HG       PRO  51  24.487 -30.075 -30.075
  394   1HD   PRO  51          2HD       PRO  51  22.017 -30.484 -30.484
  395   2HD   PRO  51          3HD       PRO  51  22.345 -29.261 -29.261
  396    H    ARG  52           HN       ARG  52  20.642 -32.577 -32.577
  397    HA   ARG  52           HA       ARG  52  21.125 -35.438 -35.438
  398   1HB   ARG  52          2HB       ARG  52  20.194 -33.523 -33.523
  399   2HB   ARG  52          3HB       ARG  52  19.844 -35.233 -35.233
  400   1HG   ARG  52          2HG       ARG  52  22.126 -35.832 -35.832
  401   2HG   ARG  52          3HG       ARG  52  22.671 -34.375 -34.375
  402   1HD   ARG  52          2HD       ARG  52  21.822 -33.052 -33.052
  403   2HD   ARG  52          3HD       ARG  52  21.566 -34.589 -34.589
  404    HE   ARG  52           HE       ARG  52  24.250 -34.414 -34.414
  405   1HH1  ARG  52          2HH2      ARG  52  22.247 -33.387 -33.387
  406   2HH1  ARG  52          1HH2      ARG  52  23.584 -33.208 -33.208
  407   1HH2  ARG  52          1HH1      ARG  52  25.740 -33.661 -33.661
  408   2HH2  ARG  52          2HH1      ARG  52  26.014 -34.178 -34.178
  409    H    GLN  53           HN       GLN  53  18.440 -33.051 -33.051
  410    HA   GLN  53           HA       GLN  53  16.499 -35.043 -35.043
  411   1HB   GLN  53          2HB       GLN  53  16.345 -32.085 -32.085
  412   2HB   GLN  53          3HB       GLN  53  14.916 -33.007 -33.007
  413   1HG   GLN  53          2HG       GLN  53  16.270 -34.618 -34.618
  414   2HG   GLN  53          3HG       GLN  53  16.431 -32.984 -32.984
  415   1HE2  GLN  53          2HE2      GLN  53  13.332 -33.353 -33.353
  416   2HE2  GLN  53          1HE2      GLN  53  15.044 -33.125 -33.125
  417    H    GLY  54           HN       GLY  54  17.319 -31.790 -31.790
  418   1HA   GLY  54          1HA       GLY  54  17.786 -31.989 -31.989
  419   2HA   GLY  54          2HA       GLY  54  16.214 -32.758 -32.758
  420    H    ASP  55           HN       ASP  55  14.568 -31.429 -31.429
  421    HA   ASP  55           HA       ASP  55  14.984 -28.642 -28.642
  422   1HB   ASP  55          2HB       ASP  55  12.668 -30.483 -30.483
  423   2HB   ASP  55          3HB       ASP  55  12.418 -28.749 -28.749
  424    H    THR  56           HN       THR  56  14.203 -27.108 -27.108
  425    HA   THR  56           HA       THR  56  12.152 -27.900 -27.900
  426    HB   THR  56           HB       THR  56  13.527 -27.661 -27.661
  427    HG1  THR  56           HG1      THR  56  15.542 -26.539 -26.539
  428   1HG2  THR  56          1HG2      THR  56  14.150 -29.762 -29.762
  429   2HG2  THR  56          2HG2      THR  56  15.451 -28.828 -28.828
  430   3HG2  THR  56          3HG2      THR  56  15.485 -29.111 -29.111
  431    H    VAL  57           HN       VAL  57  11.701 -25.941 -25.941
  432    HA   VAL  57           HA       VAL  57  12.204 -23.445 -23.445
  433    HB   VAL  57           HB       VAL  57   9.443 -24.164 -24.164
  434   1HG1  VAL  57          3HG1      VAL  57  10.155 -21.767 -21.767
  435   2HG1  VAL  57          1HG1      VAL  57  10.298 -22.230 -22.230
  436   3HG1  VAL  57          2HG1      VAL  57   8.724 -22.341 -22.341
  437   1HG2  VAL  57          1HG2      VAL  57  10.599 -24.662 -24.662
  438   2HG2  VAL  57          2HG2      VAL  57  10.007 -25.887 -25.887
  439   3HG2  VAL  57          3HG2      VAL  57   8.869 -24.731 -24.731
  440    H    LYS  58           HN       LYS  58  12.964 -21.965 -21.965
  441    HA   LYS  58           HA       LYS  58  12.634 -22.535 -22.535
  442   1HB   LYS  58          2HB       LYS  58  14.431 -20.703 -20.703
  443   2HB   LYS  58          3HB       LYS  58  14.281 -20.557 -20.557
  444   1HG   LYS  58          2HG       LYS  58  14.932 -23.210 -23.210
  445   2HG   LYS  58          3HG       LYS  58  16.180 -22.074 -22.074
  446   1HD   LYS  58          2HD       LYS  58  14.118 -22.825 -22.825
  447   2HD   LYS  58          3HD       LYS  58  15.326 -24.025 -24.025
  448   1HE   LYS  58          2HE       LYS  58  17.144 -22.407 -22.407
  449   2HE   LYS  58          3HE       LYS  58  15.960 -21.164 -21.164
  450   1HZ   LYS  58          3HZ       LYS  58  15.966 -23.727 -23.727
  451   2HZ   LYS  58          1HZ       LYS  58  16.852 -22.453 -22.453
  452   3HZ   LYS  58          2HZ       LYS  58  15.225 -22.338 -22.338
  453    H    HIS  59           HN       HIS  59  11.652 -21.111 -21.111
  454    HA   HIS  59           HA       HIS  59  10.231 -18.866 -18.866
  455   1HB   HIS  59          2HB       HIS  59   8.993 -20.927 -20.927
  456   2HB   HIS  59          3HB       HIS  59   8.216 -19.452 -19.452
  457    HD1  HIS  59           HD1      HIS  59   7.034 -19.502 -19.502
  458    HD2  HIS  59           HD2      HIS  59   9.470 -22.857 -22.857
  459    HE1  HIS  59           HE1      HIS  59   6.531 -21.123 -21.123
  460    H    TYR  60           HN       TYR  60  10.921 -17.055 -17.055
  461    HA   TYR  60           HA       TYR  60  11.864 -17.331 -17.331
  462   1HB   TYR  60          2HB       TYR  60  12.065 -15.094 -15.094
  463   2HB   TYR  60          3HB       TYR  60  12.940 -15.116 -15.116
  464    HD1  TYR  60           HD1      TYR  60  14.434 -17.325 -17.325
  465    HD2  TYR  60           HD2      TYR  60  13.189 -15.779 -15.779
  466    HE1  TYR  60           HE1      TYR  60  16.359 -18.537 -18.537
  467    HE2  TYR  60           HE2      TYR  60  15.118 -16.997 -16.997
  468    HH   TYR  60           HH       TYR  60  17.636 -18.474 -18.474
  469    H    LYS  61           HN       LYS  61  11.208 -15.805 -15.805
  470    HA   LYS  61           HA       LYS  61   8.519 -14.792 -14.792
  471   1HB   LYS  61          2HB       LYS  61  10.005 -15.741 -15.741
  472   2HB   LYS  61          3HB       LYS  61   8.780 -14.510 -14.510
  473   1HG   LYS  61          2HG       LYS  61   8.204 -17.018 -17.018
  474   2HG   LYS  61          3HG       LYS  61   8.043 -17.011 -17.011
  475   1HD   LYS  61          2HD       LYS  61   6.589 -14.826 -14.826
  476   2HD   LYS  61          3HD       LYS  61   6.457 -15.443 -15.443
  477   1HE   LYS  61          2HE       LYS  61   4.750 -16.751 -16.751
  478   2HE   LYS  61          3HE       LYS  61   5.945 -17.707 -17.707
  479   1HZ   LYS  61          3HZ       LYS  61   5.664 -15.801 -15.801
  480   2HZ   LYS  61          1HZ       LYS  61   4.200 -15.639 -15.639
  481   3HZ   LYS  61          2HZ       LYS  61   4.630 -17.064 -17.064
  482    H    ILE  62           HN       ILE  62   8.132 -12.656 -12.656
  483    HA   ILE  62           HA       ILE  62  10.380 -10.861 -10.861
  484    HB   ILE  62           HB       ILE  62   8.000 -10.675 -10.675
  485   1HG1  ILE  62          2HG1      ILE  62  10.869 -10.411 -10.411
  486   2HG1  ILE  62          3HG1      ILE  62  10.235 -12.008 -12.008
  487   1HG2  ILE  62          3HG2      ILE  62  10.040  -8.551  -8.551
  488   2HG2  ILE  62          1HG2      ILE  62   8.972  -8.488  -8.488
  489   3HG2  ILE  62          2HG2      ILE  62   8.275  -8.481  -8.481
  490   1HD1  ILE  62          2HD1      ILE  62   8.490 -10.277 -10.277
  491   2HD1  ILE  62          3HD1      ILE  62  10.020 -10.812 -10.812
  492   3HD1  ILE  62          1HD1      ILE  62   8.851 -12.015 -12.015
  493    H    ARG  63           HN       ARG  63  10.272 -10.133 -10.133
  494    HA   ARG  63           HA       ARG  63   7.665  -9.610  -9.610
  495   1HB   ARG  63          2HB       ARG  63  10.483  -9.576  -9.576
  496   2HB   ARG  63          3HB       ARG  63   9.094  -9.039  -9.039
  497   1HG   ARG  63          2HG       ARG  63   8.910 -11.721 -11.721
  498   2HG   ARG  63          3HG       ARG  63   9.936 -11.600 -11.600
  499   1HD   ARG  63          2HD       ARG  63   8.001 -10.622 -10.622
  500   2HD   ARG  63          3HD       ARG  63   6.982 -10.819 -10.819
  501    HE   ARG  63           HE       ARG  63   6.804 -13.095 -13.095
  502   1HH1  ARG  63          2HH2      ARG  63   9.644 -11.805 -11.805
  503   2HH1  ARG  63          1HH2      ARG  63   9.979 -13.273 -13.273
  504   1HH2  ARG  63          2HH1      ARG  63   7.244 -15.033 -15.033
  505   2HH2  ARG  63          1HH1      ARG  63   8.604 -15.121 -15.121
  506    H    THR  64           HN       THR  64   7.359  -7.473  -7.473
  507    HA   THR  64           HA       THR  64   8.715  -5.285  -5.285
  508    HB   THR  64           HB       THR  64   6.545  -4.088  -4.088
  509    HG1  THR  64           HG1      THR  64   5.615  -6.640  -6.640
  510   1HG2  THR  64          1HG2      THR  64   6.651  -6.839  -6.839
  511   2HG2  THR  64          2HG2      THR  64   5.040  -6.104  -6.104
  512   3HG2  THR  64          3HG2      THR  64   6.293  -5.276  -5.276
  513    H    LEU  65           HN       LEU  65   9.259  -3.401  -3.401
  514    HA   LEU  65           HA       LEU  65   9.621  -3.970  -3.970
  515   1HB   LEU  65          2HB       LEU  65  10.823  -1.900  -1.900
  516   2HB   LEU  65          3HB       LEU  65  11.148  -1.995  -1.995
  517    HG   LEU  65           HG       LEU  65  11.643  -4.387  -4.387
  518   1HD1  LEU  65          1HD1      LEU  65  12.770  -2.000  -2.000
  519   2HD1  LEU  65          2HD1      LEU  65  13.971  -2.643  -2.643
  520   3HD1  LEU  65          3HD1      LEU  65  13.511  -3.592  -3.592
  521   1HD2  LEU  65          3HD2      LEU  65  12.234  -3.566  -3.566
  522   2HD2  LEU  65          1HD2      LEU  65  12.136  -5.189  -5.189
  523   3HD2  LEU  65          2HD2      LEU  65  13.634  -4.239  -4.239
  524    H    ASP  66           HN       ASP  66   9.298  -2.096  -2.096
  525    HA   ASP  66           HA       ASP  66   6.658  -1.291  -1.291
  526   1HB   ASP  66          2HB       ASP  66   9.012  -0.728  -0.728
  527   2HB   ASP  66          3HB       ASP  66   7.730   0.464   0.464
  528    H    ASN  67           HN       ASN  67   9.807   0.492   0.492
  529    HA   ASN  67           HA       ASN  67   8.315   2.493   2.493
  530   1HB   ASN  67          2HB       ASN  67  10.233   2.821   2.821
  531   2HB   ASN  67          3HB       ASN  67  10.451   3.942   3.942
  532   1HD2  ASN  67          1HD2      ASN  67   9.571   4.461   4.461
  533   2HD2  ASN  67          2HD2      ASN  67   8.001   5.188   5.188
  534    H    GLY  68           HN       GLY  68   9.143   0.828   0.828
  535   1HA   GLY  68          1HA       GLY  68  11.617   1.839   1.839
  536   2HA   GLY  68          2HA       GLY  68  11.673   0.161   0.161
  537    H    GLY  69           HN       GLY  69  10.845  -1.417  -1.417
  538   1HA   GLY  69          1HA       GLY  69   8.744  -0.837  -0.837
  539   2HA   GLY  69          2HA       GLY  69  10.316  -0.992  -0.992
  540    H    PHE  70           HN       PHE  70  11.155  -3.025  -3.025
  541    HA   PHE  70           HA       PHE  70   9.985  -5.259  -5.259
  542   1HB   PHE  70          2HB       PHE  70  10.405  -5.151  -5.151
  543   2HB   PHE  70          3HB       PHE  70   9.574  -6.412  -6.412
  544    HD1  PHE  70           HD1      PHE  70   9.347  -2.751  -2.751
  545    HD2  PHE  70           HD2      PHE  70   7.263  -6.360  -6.360
  546    HE1  PHE  70           HE1      PHE  70   7.162  -1.572  -1.572
  547    HE2  PHE  70           HE2      PHE  70   5.078  -5.181  -5.181
  548   1HZ   PHE  70           HZ       PHE  70   5.054  -2.801  -2.801
  549    H    TYR  71           HN       TYR  71  11.461  -6.862  -6.862
  550    HA   TYR  71           HA       TYR  71  14.023  -6.780  -6.780
  551   1HB   TYR  71          2HB       TYR  71  15.146  -6.828  -6.828
  552   2HB   TYR  71          3HB       TYR  71  13.980  -5.522  -5.522
  553    HD1  TYR  71           HD1      TYR  71  11.659  -6.067  -6.067
  554    HD2  TYR  71           HD2      TYR  71  15.126  -8.523  -8.523
  555    HE1  TYR  71           HE1      TYR  71  10.624  -7.119  -7.119
  556    HE2  TYR  71           HE2      TYR  71  14.079  -9.566  -9.566
  557    HH   TYR  71           HH       TYR  71  12.286  -8.693  -8.693
  558    H    ILE  72           HN       ILE  72  15.157  -8.798  -8.798
  559    HA   ILE  72           HA       ILE  72  13.437 -11.062 -11.062
  560    HB   ILE  72           HB       ILE  72  15.453 -10.774 -10.774
  561   1HG1  ILE  72          2HG1      ILE  72  12.433 -11.048 -11.048
  562   2HG1  ILE  72          3HG1      ILE  72  13.338  -9.588  -9.588
  563   1HG2  ILE  72          3HG2      ILE  72  15.028 -13.082 -13.082
  564   2HG2  ILE  72          1HG2      ILE  72  13.683 -13.150 -13.150
  565   3HG2  ILE  72          2HG2      ILE  72  15.357 -12.990 -12.990
  566   1HD1  ILE  72          3HD1      ILE  72  14.334 -11.866 -11.866
  567   2HD1  ILE  72          1HD1      ILE  72  12.605 -11.557 -11.557
  568   3HD1  ILE  72          2HD1      ILE  72  13.796 -10.262 -10.262
  569    H    SER  73           HN       SER  73  16.812  -9.792  -9.792
  570    HA   SER  73           HA       SER  73  17.476 -11.854 -11.854
  571   1HB   SER  73          2HB       SER  73  18.723 -11.858 -11.858
  572   2HB   SER  73          3HB       SER  73  19.407 -10.307 -10.307
  573    HG   SER  73           HG       SER  73  20.876 -11.360 -11.360
  574    HA   PRO  74           HA       PRO  74  18.161  -8.575  -8.575
  575   1HB   PRO  74          2HB       PRO  74  19.610  -9.861  -9.861
  576   2HB   PRO  74          3HB       PRO  74  17.864  -9.961  -9.961
  577   1HG   PRO  74          2HG       PRO  74  19.888 -11.986 -11.986
  578   2HG   PRO  74          3HG       PRO  74  18.175 -12.204 -12.204
  579   1HD   PRO  74          2HD       PRO  74  19.479 -12.137 -12.137
  580   2HD   PRO  74          3HD       PRO  74  17.755 -12.238 -12.238
  581    H    ARG  75           HN       ARG  75  19.567  -7.995  -7.995
  582    HA   ARG  75           HA       ARG  75  22.073  -7.245  -7.245
  583   1HB   ARG  75          2HB       ARG  75  21.807  -8.363  -8.363
  584   2HB   ARG  75          3HB       ARG  75  23.287  -7.734  -7.734
  585   1HG   ARG  75          2HG       ARG  75  21.823  -9.920  -9.920
  586   2HG   ARG  75          3HG       ARG  75  22.734 -10.355 -10.355
  587   1HD   ARG  75          2HD       ARG  75  24.257  -8.550  -8.550
  588   2HD   ARG  75          3HD       ARG  75  23.778 -10.025 -10.025
  589    HE   ARG  75           HE       ARG  75  24.754 -10.845 -10.845
  590   1HH1  ARG  75          2HH2      ARG  75  26.017  -9.126  -9.126
  591   2HH1  ARG  75          1HH2      ARG  75  27.646  -9.659  -9.659
  592   1HH2  ARG  75          2HH1      ARG  75  26.903 -11.548 -11.548
  593   2HH2  ARG  75          1HH1      ARG  75  28.154 -11.045 -11.045
  594    H    SER  76           HN       SER  76  20.152  -6.955  -6.955
  595    HA   SER  76           HA       SER  76  20.342  -4.074  -4.074
  596   1HB   SER  76          2HB       SER  76  20.913  -5.664  -5.664
  597   2HB   SER  76          3HB       SER  76  20.567  -3.947  -3.947
  598    HG   SER  76           HG       SER  76  22.853  -5.323  -5.323
  599    H    THR  77           HN       THR  77  18.355  -3.071  -3.071
  600    HA   THR  77           HA       THR  77  16.167  -4.740  -4.740
  601    HB   THR  77           HB       THR  77  14.774  -3.572  -3.572
  602    HG1  THR  77           HG1      THR  77  17.078  -1.758  -1.758
  603   1HG2  THR  77          3HG2      THR  77  16.824  -4.915  -4.915
  604   2HG2  THR  77          1HG2      THR  77  17.366  -3.283  -3.283
  605   3HG2  THR  77          2HG2      THR  77  15.790  -3.888  -3.888
  606    H    PHE  78           HN       PHE  78  14.308  -3.379  -3.379
  607    HA   PHE  78           HA       PHE  78  15.406  -1.170  -1.170
  608   1HB   PHE  78          2HB       PHE  78  13.738  -3.498  -3.498
  609   2HB   PHE  78          3HB       PHE  78  14.490  -2.225  -2.225
  610    HD1  PHE  78           HD2      PHE  78  15.325  -5.062  -5.062
  611    HD2  PHE  78           HD1      PHE  78  16.611  -2.547  -2.547
  612    HE1  PHE  78           HE2      PHE  78  17.363  -6.494  -6.494
  613    HE2  PHE  78           HE1      PHE  78  18.649  -3.979  -3.979
  614   1HZ   PHE  78           HZ       PHE  78  19.000  -5.936  -5.936
  615    H    SER  79           HN       SER  79  14.011   0.539   0.539
  616    HA   SER  79           HA       SER  79  11.621   0.399   0.399
  617   1HB   SER  79          2HB       SER  79  12.776   2.458   2.458
  618   2HB   SER  79          3HB       SER  79  11.240   2.708   2.708
  619    HG   SER  79           HG       SER  79  12.410   3.459   3.459
  620    H    THR  80           HN       THR  80  12.489  -0.175  -0.175
  621    HA   THR  80           HA       THR  80   9.639  -0.627  -0.627
  622    HB   THR  80           HB       THR  80  10.115   0.257   0.257
  623    HG1  THR  80           HG1      THR  80  12.302   1.177   1.177
  624   1HG2  THR  80          1HG2      THR  80   9.480   1.923   1.923
  625   2HG2  THR  80          2HG2      THR  80  11.220   2.200   2.200
  626   3HG2  THR  80          3HG2      THR  80  10.469   2.619   2.619
  627    H    LEU  81           HN       LEU  81   9.211  -2.274  -2.274
  628    HA   LEU  81           HA       LEU  81  11.021  -4.475  -4.475
  629   1HB   LEU  81          2HB       LEU  81   8.312  -4.131  -4.131
  630   2HB   LEU  81          3HB       LEU  81   9.224  -5.614  -5.614
  631    HG   LEU  81           HG       LEU  81   8.688  -4.512  -4.512
  632   1HD1  LEU  81          3HD1      LEU  81   6.519  -4.592  -4.592
  633   2HD1  LEU  81          1HD1      LEU  81   6.805  -6.303  -6.303
  634   3HD1  LEU  81          2HD1      LEU  81   6.635  -5.802  -5.802
  635   1HD2  LEU  81          3HD2      LEU  81   9.259  -7.271  -7.271
  636   2HD2  LEU  81          1HD2      LEU  81  10.303  -6.272  -6.272
  637   3HD2  LEU  81          2HD2      LEU  81   8.786  -6.945  -6.945
  638    H    GLN  82           HN       GLN  82  10.423  -1.964  -1.964
  639    HA   GLN  82           HA       GLN  82  11.419  -3.397  -3.397
  640   1HB   GLN  82          2HB       GLN  82   9.939  -1.421  -1.421
  641   2HB   GLN  82          3HB       GLN  82  11.171  -0.394  -0.394
  642   1HG   GLN  82          2HG       GLN  82  11.915  -0.047  -0.047
  643   2HG   GLN  82          3HG       GLN  82  12.568  -1.671  -1.671
  644   1HE2  GLN  82          2HE2      GLN  82  10.703  -2.601  -2.601
  645   2HE2  GLN  82          1HE2      GLN  82  12.223  -2.493  -2.493
  646    H    GLU  83           HN       GLU  83  12.849  -1.583  -1.583
  647    HA   GLU  83           HA       GLU  83  15.362  -1.330  -1.330
  648   1HB   GLU  83          2HB       GLU  83  14.437  -0.683  -0.683
  649   2HB   GLU  83          3HB       GLU  83  16.089  -0.443  -0.443
  650   1HG   GLU  83          2HG       GLU  83  13.795   0.728   0.728
  651   2HG   GLU  83          3HG       GLU  83  14.366   1.552   1.552
  652    H    LEU  84           HN       LEU  84  13.682  -3.633  -3.633
  653    HA   LEU  84           HA       LEU  84  16.087  -4.880  -4.880
  654   1HB   LEU  84          2HB       LEU  84  14.208  -4.891  -4.891
  655   2HB   LEU  84          3HB       LEU  84  13.149  -5.514  -5.514
  656    HG   LEU  84           HG       LEU  84  15.487  -7.167  -7.167
  657   1HD1  LEU  84          2HD1      LEU  84  14.378  -6.419  -6.419
  658   2HD1  LEU  84          3HD1      LEU  84  12.826  -7.034  -7.034
  659   3HD1  LEU  84          1HD1      LEU  84  14.161  -8.163  -8.163
  660   1HD2  LEU  84          1HD2      LEU  84  12.881  -7.617  -7.617
  661   2HD2  LEU  84          2HD2      LEU  84  14.504  -8.248  -8.248
  662   3HD2  LEU  84          3HD2      LEU  84  13.566  -8.933  -8.933
  663    H    VAL  85           HN       VAL  85  13.874  -5.122  -5.122
  664    HA   VAL  85           HA       VAL  85  14.839  -7.720  -7.720
  665    HB   VAL  85           HB       VAL  85  12.996  -5.666  -5.666
  666   1HG1  VAL  85          2HG1      VAL  85  14.318  -7.988  -7.988
  667   2HG1  VAL  85          3HG1      VAL  85  12.580  -7.755  -7.755
  668   3HG1  VAL  85          1HG1      VAL  85  13.733  -6.452  -6.452
  669   1HG2  VAL  85          2HG2      VAL  85  12.391  -7.318  -7.318
  670   2HG2  VAL  85          3HG2      VAL  85  11.267  -7.112  -7.112
  671   3HG2  VAL  85          1HG2      VAL  85  12.335  -8.535  -8.535
  672    H    ASP  86           HN       ASP  86  15.609  -4.308  -4.308
  673    HA   ASP  86           HA       ASP  86  17.051  -4.734  -4.734
  674   1HB   ASP  86          2HB       ASP  86  16.954  -2.577  -2.577
  675   2HB   ASP  86          3HB       ASP  86  18.227  -2.514  -2.514
  676    H    HIS  87           HN       HIS  87  17.823  -4.748  -4.748
  677    HA   HIS  87           HA       HIS  87  20.621  -4.914  -4.914
  678   1HB   HIS  87          2HB       HIS  87  19.447  -4.043  -4.043
  679   2HB   HIS  87          3HB       HIS  87  18.955  -5.682  -5.682
  680    HD1  HIS  87           HD1      HIS  87  22.124  -3.589  -3.589
  681    HD2  HIS  87           HD2      HIS  87  20.835  -7.182  -7.182
  682    HE1  HIS  87           HE1      HIS  87  24.069  -4.435  -4.435
  683    H    TYR  88           HN       TYR  88  17.926  -7.233  -7.233
  684    HA   TYR  88           HA       TYR  88  19.583  -9.513  -9.513
  685   1HB   TYR  88          2HB       TYR  88  16.735  -8.767  -8.767
  686   2HB   TYR  88          3HB       TYR  88  17.235 -10.410 -10.410
  687    HD1  TYR  88           HD2      TYR  88  18.639  -8.691  -8.691
  688    HD2  TYR  88           HD1      TYR  88  15.543 -11.301 -11.301
  689    HE1  TYR  88           HE2      TYR  88  18.127  -9.362  -9.362
  690    HE2  TYR  88           HE1      TYR  88  15.042 -11.964 -11.964
  691    HH   TYR  88           HH       TYR  88  17.143 -11.089 -11.089
  692    H    LYS  89           HN       LYS  89  18.694  -7.518  -7.518
  693    HA   LYS  89           HA       LYS  89  19.254  -9.612  -9.612
  694   1HB   LYS  89          2HB       LYS  89  18.352  -6.747  -6.747
  695   2HB   LYS  89          3HB       LYS  89  18.992  -7.538  -7.538
  696   1HG   LYS  89          2HG       LYS  89  17.303  -9.495  -9.495
  697   2HG   LYS  89          3HG       LYS  89  16.485  -8.160  -8.160
  698   1HD   LYS  89          2HD       LYS  89  16.342  -6.933  -6.933
  699   2HD   LYS  89          3HD       LYS  89  17.261  -8.187  -8.187
  700   1HE   LYS  89          2HE       LYS  89  15.285  -9.206  -9.206
  701   2HE   LYS  89          3HE       LYS  89  15.173  -9.610  -9.610
  702   1HZ   LYS  89          1HZ       LYS  89  14.362  -6.941  -6.941
  703   2HZ   LYS  89          2HZ       LYS  89  13.391  -8.144  -8.144
  704   3HZ   LYS  89          3HZ       LYS  89  13.699  -7.980  -7.980
  705    H    LYS  90           HN       LYS  90  20.939  -7.091  -7.091
  706    HA   LYS  90           HA       LYS  90  23.110  -6.948  -6.948
  707   1HB   LYS  90          2HB       LYS  90  22.615  -5.803  -5.803
  708   2HB   LYS  90          3HB       LYS  90  24.148  -5.618  -5.618
  709   1HG   LYS  90          2HG       LYS  90  22.626  -4.799  -4.799
  710   2HG   LYS  90          3HG       LYS  90  21.435  -4.520  -4.520
  711   1HD   LYS  90          2HD       LYS  90  23.338  -3.237  -3.237
  712   2HD   LYS  90          3HD       LYS  90  24.192  -3.262  -3.262
  713   1HE   LYS  90          2HE       LYS  90  22.667  -1.828  -1.828
  714   2HE   LYS  90          3HE       LYS  90  21.323  -2.346  -2.346
  715   1HZ   LYS  90          2HZ       LYS  90  23.434  -1.069  -1.069
  716   2HZ   LYS  90          3HZ       LYS  90  22.688  -0.097  -0.097
  717   3HZ   LYS  90          1HZ       LYS  90  21.820  -0.836  -0.836
  718    H    GLY  91           HN       GLY  91  22.143  -8.908  -8.908
  719   1HA   GLY  91          1HA       GLY  91  23.988 -10.914 -10.914
  720   2HA   GLY  91          2HA       GLY  91  24.733  -9.843  -9.843
  721    H    ASN  92           HN       ASN  92  24.163 -12.440 -12.440
  722    HA   ASN  92           HA       ASN  92  21.592 -12.558 -12.558
  723   1HB   ASN  92          2HB       ASN  92  22.642 -14.637 -14.637
  724   2HB   ASN  92          3HB       ASN  92  22.563 -14.671 -14.671
  725   1HD2  ASN  92          2HD2      ASN  92  26.049 -15.128 -15.128
  726   2HD2  ASN  92          1HD2      ASN  92  24.468 -15.264 -15.264
  727    H    ASP  93           HN       ASP  93  25.031 -12.140 -12.140
  728    HA   ASP  93           HA       ASP  93  25.894 -11.625 -11.625
  729   1HB   ASP  93          2HB       ASP  93  25.102  -9.416  -9.416
  730   2HB   ASP  93          3HB       ASP  93  23.607  -9.598  -9.598
  731    H    GLY  94           HN       GLY  94  24.408 -13.855 -13.855
  732   1HA   GLY  94          1HA       GLY  94  23.981 -14.328 -14.328
  733   2HA   GLY  94          2HA       GLY  94  22.614 -13.256 -13.256
  734    H    LEU  95           HN       LEU  95  21.669 -13.910 -13.910
  735    HA   LEU  95           HA       LEU  95  20.221 -16.239 -16.239
  736   1HB   LEU  95          2HB       LEU  95  20.612 -14.603 -14.603
  737   2HB   LEU  95          3HB       LEU  95  19.531 -15.980 -15.980
  738    HG   LEU  95           HG       LEU  95  19.320 -13.367 -13.367
  739   1HD1  LEU  95          3HD1      LEU  95  18.069 -14.523 -14.523
  740   2HD1  LEU  95          1HD1      LEU  95  16.893 -13.925 -13.925
  741   3HD1  LEU  95          2HD1      LEU  95  18.147 -12.834 -12.834
  742   1HD2  LEU  95          3HD2      LEU  95  18.237 -16.023 -16.023
  743   2HD2  LEU  95          1HD2      LEU  95  18.511 -14.581 -14.581
  744   3HD2  LEU  95          2HD2      LEU  95  17.053 -14.693 -14.693
  745    H    CYS  96           HN       CYS  96  20.122 -17.981 -17.981
  746    HA   CYS  96           HA       CYS  96  22.692 -19.254 -19.254
  747   1HB   CYS  96          2HB       CYS  96  21.518 -21.162 -21.162
  748   2HB   CYS  96          3HB       CYS  96  20.792 -20.657 -20.657
  749    HG   CYS  96           HG       CYS  96  19.906 -20.016 -20.016
  750    H    GLN  97           HN       GLN  97  20.527 -17.701 -17.701
  751    HA   GLN  97           HA       GLN  97  22.801 -17.484 -17.484
  752   1HB   GLN  97          2HB       GLN  97  20.175 -18.731 -18.731
  753   2HB   GLN  97          3HB       GLN  97  21.510 -18.301 -18.301
  754   1HG   GLN  97          2HG       GLN  97  22.971 -19.834 -19.834
  755   2HG   GLN  97          3HG       GLN  97  21.455 -20.437 -20.437
  756   1HE2  GLN  97          2HE2      GLN  97  20.416 -22.159 -22.159
  757   2HE2  GLN  97          1HE2      GLN  97  19.900 -21.351 -21.351
  758    H    LYS  98           HN       LYS  98  22.768 -15.562 -15.562
  759    HA   LYS  98           HA       LYS  98  21.067 -13.541 -13.541
  760   1HB   LYS  98          2HB       LYS  98  22.176 -12.156 -12.156
  761   2HB   LYS  98          3HB       LYS  98  23.367 -13.270 -13.270
  762   1HG   LYS  98          2HG       LYS  98  23.208 -14.693 -14.693
  763   2HG   LYS  98          3HG       LYS  98  21.852 -13.766 -13.766
  764   1HD   LYS  98          2HD       LYS  98  24.176 -12.050 -12.050
  765   2HD   LYS  98          3HD       LYS  98  24.573 -13.311 -13.311
  766   1HE   LYS  98          2HE       LYS  98  21.957 -12.071 -12.071
  767   2HE   LYS  98          3HE       LYS  98  23.256 -10.895 -10.895
  768   1HZ   LYS  98          1HZ       LYS  98  24.445 -12.653 -12.653
  769   2HZ   LYS  98          2HZ       LYS  98  22.950 -13.251 -13.251
  770   3HZ   LYS  98          3HZ       LYS  98  23.307 -11.717 -11.717
  771    H    LEU  99           HN       LEU  99  19.625 -12.189 -12.189
  772    HA   LEU  99           HA       LEU  99  17.751 -14.033 -14.033
  773   1HB   LEU  99          2HB       LEU  99  17.631 -11.113 -11.113
  774   2HB   LEU  99          3HB       LEU  99  16.357 -11.922 -11.922
  775    HG   LEU  99           HG       LEU  99  17.202 -12.279 -12.279
  776   1HD1  LEU  99          2HD1      LEU  99  14.730 -11.539 -11.539
  777   2HD1  LEU  99          3HD1      LEU  99  14.548 -12.398 -12.398
  778   3HD1  LEU  99          1HD1      LEU  99  15.427 -10.852 -10.852
  779   1HD2  LEU  99          2HD2      LEU  99  16.019 -14.388 -14.388
  780   2HD2  LEU  99          3HD2      LEU  99  17.254 -14.528 -14.528
  781   3HD2  LEU  99          1HD2      LEU  99  15.545 -14.298 -14.298
  782    H    SER 100           HN       SER 100  17.029 -13.900 -13.900
  783    HA   SER 100           HA       SER 100  18.936 -12.473 -12.473
  784   1HB   SER 100          2HB       SER 100  18.442 -14.185 -14.185
  785   2HB   SER 100          3HB       SER 100  19.088 -14.904 -14.904
  786    HG   SER 100           HG       SER 100  16.778 -15.298 -15.298
  787    H    VAL 101           HN       VAL 101  15.676 -13.979 -13.979
  788    HA   VAL 101           HA       VAL 101  14.686 -11.318 -11.318
  789    HB   VAL 101           HB       VAL 101  13.582 -12.253 -12.253
  790   1HG1  VAL 101          2HG1      VAL 101  15.815 -11.288 -11.288
  791   2HG1  VAL 101          3HG1      VAL 101  16.556 -12.875 -12.875
  792   3HG1  VAL 101          1HG1      VAL 101  15.556 -12.638 -12.638
  793   1HG2  VAL 101          2HG2      VAL 101  13.506 -14.621 -14.621
  794   2HG2  VAL 101          3HG2      VAL 101  13.710 -14.478 -14.478
  795   3HG2  VAL 101          1HG2      VAL 101  15.116 -14.830 -14.830
  796    HA   PRO 102           HA       PRO 102  11.323 -12.541 -12.541
  797   1HB   PRO 102          2HB       PRO 102   9.366 -10.863 -10.863
  798   2HB   PRO 102          3HB       PRO 102  10.604 -10.366 -10.366
  799   1HG   PRO 102          2HG       PRO 102  10.371  -9.738  -9.738
  800   2HG   PRO 102          3HG       PRO 102  11.329  -8.931  -8.931
  801   1HD   PRO 102          2HD       PRO 102  12.282 -10.754 -10.754
  802   2HD   PRO 102          3HD       PRO 102  13.218 -10.038 -10.038
  803    H    CYS 103           HN       CYS 103   9.250 -13.620 -13.620
  804    HA   CYS 103           HA       CYS 103   9.061 -15.667 -15.667
  805   1HB   CYS 103          2HB       CYS 103   7.819 -15.142 -15.142
  806   2HB   CYS 103          3HB       CYS 103   6.535 -14.594 -14.594
  807    HG   CYS 103           HG       CYS 103   7.404 -17.461 -17.461
  808    H    MET 104           HN       MET 104   7.244 -16.106 -16.106
  809    HA   MET 104           HA       MET 104   6.921 -13.701 -13.701
  810   1HB   MET 104          2HB       MET 104   6.726 -15.232 -15.232
  811   2HB   MET 104          3HB       MET 104   8.095 -15.768 -15.768
  812   1HG   MET 104          2HG       MET 104   7.103 -17.821 -17.821
  813   2HG   MET 104          3HG       MET 104   5.973 -17.151 -17.151
  814   1HE   MET 104          1HE       MET 104   5.622 -19.534 -19.534
  815   2HE   MET 104          2HE       MET 104   4.664 -19.155 -19.155
  816   3HE   MET 104          3HE       MET 104   6.387 -18.713 -18.713
  817    H    SER 105           HN       SER 105   4.848 -13.265 -13.265
  818    HA   SER 105           HA       SER 105   2.698 -13.843 -13.843
  819   1HB   SER 105          2HB       SER 105   1.377 -12.556 -12.556
  820   2HB   SER 105          3HB       SER 105   2.673 -11.685 -11.685
  821    HG   SER 105           HG       SER 105   2.751 -12.925 -12.925
  822    H    SER 106           HN       SER 106   0.936 -15.256 -15.256
  823    HA   SER 106           HA       SER 106   0.551 -16.501 -16.501
  824   1HB   SER 106          2HB       SER 106   2.512 -17.767 -17.767
  825   2HB   SER 106          3HB       SER 106   1.279 -18.392 -18.392
  826    HG   SER 106           HG       SER 106   1.386 -19.900 -19.900
  827    H    LYS 107           HN       LYS 107  -1.566 -17.393 -17.393
  828    HA   LYS 107           HA       LYS 107  -3.039 -17.704 -17.704
  829   1HB   LYS 107          2HB       LYS 107  -4.832 -16.222 -16.222
  830   2HB   LYS 107          3HB       LYS 107  -3.326 -15.330 -15.330
  831   1HG   LYS 107          2HG       LYS 107  -3.640 -16.430 -16.430
  832   2HG   LYS 107          3HG       LYS 107  -5.096 -15.561 -15.561
  833   1HD   LYS 107          2HD       LYS 107  -3.695 -13.576 -13.576
  834   2HD   LYS 107          3HD       LYS 107  -2.255 -14.446 -14.446
  835   1HE   LYS 107          2HE       LYS 107  -4.559 -14.082 -14.082
  836   2HE   LYS 107          3HE       LYS 107  -3.394 -12.795 -12.795
  837   1HZ   LYS 107          2HZ       LYS 107  -1.651 -14.388 -14.388
  838   2HZ   LYS 107          3HZ       LYS 107  -2.767 -15.545 -15.545
  839   3HZ   LYS 107          1HZ       LYS 107  -2.709 -14.214 -14.214

  Start of MODEL   18
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.365  -0.312  -0.312
    3   1HB   MET   1          2HB       MET   1   2.805   1.915   1.915
    4   2HB   MET   1          3HB       MET   1   3.558   1.341   1.341
    5   1HG   MET   1          2HG       MET   1   1.537   1.808   1.808
    6   2HG   MET   1          3HG       MET   1   0.618   2.157   2.157
    7   1HE   MET   1          3HE       MET   1   0.374   3.745   3.745
    8   2HE   MET   1          1HE       MET   1   0.646   5.431   5.431
    9   3HE   MET   1          2HE       MET   1   1.765   4.652   4.652
   10    H    GLU   2           HN       GLU   2   3.957  -0.103  -0.103
   11    HA   GLU   2           HA       GLU   2   5.328  -2.222  -2.222
   12   1HB   GLU   2          2HB       GLU   2   6.216   0.179   0.179
   13   2HB   GLU   2          3HB       GLU   2   6.986  -1.230  -1.230
   14   1HG   GLU   2          2HG       GLU   2   7.297  -1.882  -1.882
   15   2HG   GLU   2          3HG       GLU   2   7.202  -0.142  -0.142
   16    H    THR   3           HN       THR   3   6.787  -3.571  -3.571
   17    HA   THR   3           HA       THR   3   5.005  -4.260  -4.260
   18    HB   THR   3           HB       THR   3   5.607  -6.695  -6.695
   19    HG1  THR   3           HG1      THR   3   6.274  -5.317  -5.317
   20   1HG2  THR   3          3HG2      THR   3   3.398  -5.658  -5.658
   21   2HG2  THR   3          1HG2      THR   3   4.197  -5.177  -5.177
   22   3HG2  THR   3          2HG2      THR   3   4.011  -6.901  -6.901
   23    H    GLU   4           HN       GLU   4   6.228  -5.818  -5.818
   24    HA   GLU   4           HA       GLU   4   8.875  -4.635  -4.635
   25   1HB   GLU   4          2HB       GLU   4   7.030  -5.806  -5.806
   26   2HB   GLU   4          3HB       GLU   4   8.607  -5.105  -5.105
   27   1HG   GLU   4          2HG       GLU   4   6.295  -3.591  -3.591
   28   2HG   GLU   4          3HG       GLU   4   6.668  -3.521  -3.521
   29    H    GLU   5           HN       GLU   5  10.483  -6.009  -6.009
   30    HA   GLU   5           HA       GLU   5  10.026  -8.839  -8.839
   31   1HB   GLU   5          2HB       GLU   5  11.058  -7.401  -7.401
   32   2HB   GLU   5          3HB       GLU   5  12.073  -8.745  -8.745
   33   1HG   GLU   5          2HG       GLU   5  10.172 -10.296 -10.296
   34   2HG   GLU   5          3HG       GLU   5   9.051  -8.979  -8.979
   35    H    TRP   6           HN       TRP   6  10.888  -7.469  -7.469
   36    HA   TRP   6           HA       TRP   6  13.772  -7.347  -7.347
   37   1HB   TRP   6          2HB       TRP   6  13.296  -6.819  -6.819
   38   2HB   TRP   6          3HB       TRP   6  12.892  -5.637  -5.637
   39    HD1  TRP   6           HD1      TRP   6  10.434  -4.730  -4.730
   40    HE1  TRP   6           HE1      TRP   6   8.160  -5.355  -5.355
   41    HE3  TRP   6           HE3      TRP   6  12.044  -9.152  -9.152
   42    HZ2  TRP   6           HZ2      TRP   6   7.308  -7.578  -7.578
   43    HZ3  TRP   6           HZ3      TRP   6  10.428 -10.488 -10.488
   44    HH2  TRP   6           HH2      TRP   6   8.132  -9.767  -9.767
   45    H    PHE   7           HN       PHE   7  11.358  -9.734  -9.734
   46    HA   PHE   7           HA       PHE   7  12.968 -11.366 -11.366
   47   1HB   PHE   7          2HB       PHE   7  10.636 -11.243 -11.243
   48   2HB   PHE   7          3HB       PHE   7  10.083 -11.294 -11.294
   49    HD1  PHE   7           HD1      PHE   7  11.276 -13.293 -13.293
   50    HD2  PHE   7           HD2      PHE   7   9.862 -13.403 -13.403
   51    HE1  PHE   7           HE1      PHE   7  10.902 -15.767 -15.767
   52    HE2  PHE   7           HE2      PHE   7   9.488 -15.877 -15.877
   53   1HZ   PHE   7           HZ       PHE   7  10.013 -17.030 -17.030
   54    H    PHE   8           HN       PHE   8  14.139 -13.068 -13.068
   55    HA   PHE   8           HA       PHE   8  13.686 -13.758 -13.758
   56   1HB   PHE   8          2HB       PHE   8  16.025 -13.636 -13.636
   57   2HB   PHE   8          3HB       PHE   8  16.115 -14.825 -14.825
   58    HD1  PHE   8           HD1      PHE   8  15.320 -11.197 -11.197
   59    HD2  PHE   8           HD2      PHE   8  17.149 -14.194 -14.194
   60    HE1  PHE   8           HE1      PHE   8  16.160  -9.432  -9.432
   61    HE2  PHE   8           HE2      PHE   8  17.989 -12.430 -12.430
   62   1HZ   PHE   8           HZ       PHE   8  17.485 -10.070 -10.070
   63    H    LYS   9           HN       LYS   9  13.772 -16.014 -16.014
   64    HA   LYS   9           HA       LYS   9  13.165 -17.811 -17.811
   65   1HB   LYS   9          2HB       LYS   9  11.626 -18.979 -18.979
   66   2HB   LYS   9          3HB       LYS   9  11.228 -17.274 -17.274
   67   1HG   LYS   9          2HG       LYS   9  13.192 -18.117 -18.117
   68   2HG   LYS   9          3HG       LYS   9  11.637 -18.910 -18.910
   69   1HD   LYS   9          2HD       LYS   9  11.886 -15.891 -15.891
   70   2HD   LYS   9          3HD       LYS   9  11.925 -16.657 -16.657
   71   1HE   LYS   9          2HE       LYS   9   9.685 -17.825 -17.825
   72   2HE   LYS   9          3HE       LYS   9   9.625 -16.158 -16.158
   73   1HZ   LYS   9          1HZ       LYS   9  10.181 -15.841 -15.841
   74   2HZ   LYS   9          2HZ       LYS   9   9.318 -17.225 -17.225
   75   3HZ   LYS   9          3HZ       LYS   9   8.657 -15.891 -15.891
   76    H    GLY  10           HN       GLY  10  14.006 -19.974 -19.974
   77   1HA   GLY  10          1HA       GLY  10  15.849 -21.287 -21.287
   78   2HA   GLY  10          2HA       GLY  10  15.364 -21.260 -21.260
   79    H    ILE  11           HN       ILE  11  17.297 -19.419 -19.419
   80    HA   ILE  11           HA       ILE  11  19.158 -18.779 -18.779
   81    HB   ILE  11           HB       ILE  11  17.575 -16.969 -16.969
   82   1HG1  ILE  11          2HG1      ILE  11  19.782 -16.768 -16.768
   83   2HG1  ILE  11          3HG1      ILE  11  18.062 -16.503 -16.503
   84   1HG2  ILE  11          3HG2      ILE  11  19.259 -17.186 -17.186
   85   2HG2  ILE  11          1HG2      ILE  11  20.514 -16.651 -16.651
   86   3HG2  ILE  11          2HG2      ILE  11  19.186 -15.552 -15.552
   87   1HD1  ILE  11          2HD1      ILE  11  18.209 -14.473 -14.473
   88   2HD1  ILE  11          3HD1      ILE  11  19.965 -14.730 -14.730
   89   3HD1  ILE  11          1HD1      ILE  11  19.242 -14.345 -14.345
   90    H    SER  12           HN       SER  12  21.417 -18.353 -18.353
   91    HA   SER  12           HA       SER  12  21.890 -20.185 -20.185
   92   1HB   SER  12          2HB       SER  12  23.898 -20.786 -20.786
   93   2HB   SER  12          3HB       SER  12  22.925 -20.418 -20.418
   94    HG   SER  12           HG       SER  12  24.593 -19.133 -19.133
   95    H    ARG  13           HN       ARG  13  23.605 -19.607 -19.607
   96    HA   ARG  13           HA       ARG  13  23.291 -16.969 -16.969
   97   1HB   ARG  13          2HB       ARG  13  23.694 -18.791 -18.791
   98   2HB   ARG  13          3HB       ARG  13  25.237 -19.164 -19.164
   99   1HG   ARG  13          2HG       ARG  13  25.115 -16.335 -16.335
  100   2HG   ARG  13          3HG       ARG  13  24.756 -17.354 -17.354
  101   1HD   ARG  13          2HD       ARG  13  27.118 -18.050 -18.050
  102   2HD   ARG  13          3HD       ARG  13  27.279 -16.749 -16.749
  103    HE   ARG  13           HE       ARG  13  26.113 -18.988 -18.988
  104   1HH1  ARG  13          2HH2      ARG  13  29.168 -18.030 -18.030
  105   2HH1  ARG  13          1HH2      ARG  13  30.123 -19.053 -19.053
  106   1HH2  ARG  13          2HH1      ARG  13  27.374 -20.338 -20.338
  107   2HH2  ARG  13          1HH1      ARG  13  29.096 -20.374 -20.374
  108    H    LYS  14           HN       LYS  14  25.686 -18.676 -18.676
  109    HA   LYS  14           HA       LYS  14  27.682 -16.643 -16.643
  110   1HB   LYS  14          2HB       LYS  14  27.362 -19.080 -19.080
  111   2HB   LYS  14          3HB       LYS  14  28.706 -17.970 -17.970
  112   1HG   LYS  14          2HG       LYS  14  28.157 -18.854 -18.854
  113   2HG   LYS  14          3HG       LYS  14  28.676 -20.130 -20.130
  114   1HD   LYS  14          2HD       LYS  14  30.432 -18.065 -18.065
  115   2HD   LYS  14          3HD       LYS  14  30.209 -17.829 -17.829
  116   1HE   LYS  14          2HE       LYS  14  31.900 -19.397 -19.397
  117   2HE   LYS  14          3HE       LYS  14  30.554 -20.515 -20.515
  118   1HZ   LYS  14          1HZ       LYS  14  31.683 -19.546 -19.546
  119   2HZ   LYS  14          2HZ       LYS  14  32.539 -20.652 -20.652
  120   3HZ   LYS  14          3HZ       LYS  14  31.024 -21.000 -21.000
  121    H    ASP  15           HN       ASP  15  24.901 -17.364 -17.364
  122    HA   ASP  15           HA       ASP  15  25.702 -15.585 -15.585
  123   1HB   ASP  15          2HB       ASP  15  23.216 -17.110 -17.110
  124   2HB   ASP  15          3HB       ASP  15  23.012 -15.753 -15.753
  125    H    ALA  16           HN       ALA  16  23.602 -15.478 -15.478
  126    HA   ALA  16           HA       ALA  16  22.460 -12.963 -12.963
  127   1HB   ALA  16          2HB       ALA  16  21.551 -14.613 -14.613
  128   2HB   ALA  16          3HB       ALA  16  23.003 -14.455 -14.455
  129   3HB   ALA  16          1HB       ALA  16  21.895 -13.076 -13.076
  130    H    GLU  17           HN       GLU  17  25.602 -14.033 -14.033
  131    HA   GLU  17           HA       GLU  17  26.186 -11.432 -11.432
  132   1HB   GLU  17          2HB       GLU  17  27.648 -14.071 -14.071
  133   2HB   GLU  17          3HB       GLU  17  28.560 -12.614 -12.614
  134   1HG   GLU  17          2HG       GLU  17  26.515 -12.246 -12.246
  135   2HG   GLU  17          3HG       GLU  17  26.485 -13.996 -13.996
  136    H    ARG  18           HN       ARG  18  26.361 -13.101 -13.101
  137    HA   ARG  18           HA       ARG  18  28.535 -11.494 -11.494
  138   1HB   ARG  18          2HB       ARG  18  27.522 -14.001 -14.001
  139   2HB   ARG  18          3HB       ARG  18  26.927 -12.998 -12.998
  140   1HG   ARG  18          2HG       ARG  18  29.029 -13.596 -13.596
  141   2HG   ARG  18          3HG       ARG  18  29.405 -12.064 -12.064
  142   1HD   ARG  18          2HD       ARG  18  29.603 -14.141 -14.141
  143   2HD   ARG  18          3HD       ARG  18  30.505 -14.657 -14.657
  144    HE   ARG  18           HE       ARG  18  31.186 -12.456 -12.456
  145   1HH1  ARG  18          2HH2      ARG  18  31.503 -13.629 -13.629
  146   2HH1  ARG  18          1HH2      ARG  18  32.945 -12.725 -12.725
  147   1HH2  ARG  18          2HH1      ARG  18  33.089 -11.262 -11.262
  148   2HH2  ARG  18          1HH1      ARG  18  33.853 -11.369 -11.369
  149    H    GLN  19           HN       GLN  19  25.001 -11.541 -11.541
  150    HA   GLN  19           HA       GLN  19  24.777  -9.708  -9.708
  151   1HB   GLN  19          2HB       GLN  19  22.760 -10.819 -10.819
  152   2HB   GLN  19          3HB       GLN  19  22.323  -9.694  -9.694
  153   1HG   GLN  19          2HG       GLN  19  23.651 -11.492 -11.492
  154   2HG   GLN  19          3HG       GLN  19  23.194 -12.568 -12.568
  155   1HE2  GLN  19          2HE2      GLN  19  19.773 -12.690 -12.690
  156   2HE2  GLN  19          1HE2      GLN  19  21.057 -13.037 -13.037
  157    H    LEU  20           HN       LEU  20  25.021  -9.624  -9.624
  158    HA   LEU  20           HA       LEU  20  24.081  -6.927  -6.927
  159   1HB   LEU  20          2HB       LEU  20  25.245  -8.960  -8.960
  160   2HB   LEU  20          3HB       LEU  20  25.165  -7.278  -7.278
  161    HG   LEU  20           HG       LEU  20  22.758  -8.866  -8.866
  162   1HD1  LEU  20          3HD1      LEU  20  23.738  -9.885  -9.885
  163   2HD1  LEU  20          1HD1      LEU  20  23.645  -8.313  -8.313
  164   3HD1  LEU  20          2HD1      LEU  20  22.153  -9.141  -9.141
  165   1HD2  LEU  20          3HD2      LEU  20  23.215  -6.072  -6.072
  166   2HD2  LEU  20          1HD2      LEU  20  21.844  -6.835  -6.835
  167   3HD2  LEU  20          2HD2      LEU  20  21.906  -6.830  -6.830
  168    H    LEU  21           HN       LEU  21  27.277  -8.625  -8.625
  169    HA   LEU  21           HA       LEU  21  28.717  -6.198  -6.198
  170   1HB   LEU  21          2HB       LEU  21  29.435  -9.047  -9.047
  171   2HB   LEU  21          3HB       LEU  21  30.637  -7.775  -7.775
  172    HG   LEU  21           HG       LEU  21  28.998  -8.134  -8.134
  173   1HD1  LEU  21          2HD1      LEU  21  30.752 -10.112 -10.112
  174   2HD1  LEU  21          3HD1      LEU  21  31.498  -9.421  -9.421
  175   3HD1  LEU  21          1HD1      LEU  21  29.865 -10.124 -10.124
  176   1HD2  LEU  21          1HD2      LEU  21  30.689  -6.176  -6.176
  177   2HD2  LEU  21          2HD2      LEU  21  30.523  -6.791  -6.791
  178   3HD2  LEU  21          3HD2      LEU  21  31.869  -7.345  -7.345
  179    H    ALA  22           HN       ALA  22  27.190  -7.859  -7.859
  180    HA   ALA  22           HA       ALA  22  28.796  -7.182  -7.182
  181   1HB   ALA  22          3HB       ALA  22  25.906  -7.747  -7.747
  182   2HB   ALA  22          1HB       ALA  22  26.315  -6.935  -6.935
  183   3HB   ALA  22          2HB       ALA  22  27.054  -8.504  -8.504
  184    HA   PRO  23           HA       PRO  23  28.461  -2.894  -2.894
  185   1HB   PRO  23          2HB       PRO  23  28.521  -2.527  -2.527
  186   2HB   PRO  23          3HB       PRO  23  29.953  -2.855  -2.855
  187   1HG   PRO  23          2HG       PRO  23  28.470  -4.671  -4.671
  188   2HG   PRO  23          3HG       PRO  23  30.102  -4.829  -4.829
  189   1HD   PRO  23          2HD       PRO  23  27.780  -6.247  -6.247
  190   2HD   PRO  23          3HD       PRO  23  29.389  -6.318  -6.318
  191    H    GLY  24           HN       GLY  24  26.019  -4.849  -4.849
  192   1HA   GLY  24          1HA       GLY  24  24.287  -2.902  -2.902
  193   2HA   GLY  24          2HA       GLY  24  23.836  -4.475  -4.475
  194    H    ASN  25           HN       ASN  25  24.713  -4.243  -4.243
  195    HA   ASN  25           HA       ASN  25  22.729  -2.333  -2.333
  196   1HB   ASN  25          2HB       ASN  25  24.095  -4.690  -4.690
  197   2HB   ASN  25          3HB       ASN  25  22.946  -3.630  -3.630
  198   1HD2  ASN  25          2HD2      ASN  25  21.777  -6.475  -6.475
  199   2HD2  ASN  25          1HD2      ASN  25  23.432  -6.018  -6.018
  200    H    MET  26           HN       MET  26  23.362  -1.391  -1.391
  201    HA   MET  26           HA       MET  26  26.181  -1.055  -1.055
  202   1HB   MET  26          2HB       MET  26  26.134   1.404   1.404
  203   2HB   MET  26          3HB       MET  26  25.529   0.705   0.705
  204   1HG   MET  26          2HG       MET  26  23.247   0.975   0.975
  205   2HG   MET  26          3HG       MET  26  24.156   2.459   2.459
  206   1HE   MET  26          3HE       MET  26  22.117   0.217   0.217
  207   2HE   MET  26          1HE       MET  26  21.121   1.692   1.692
  208   3HE   MET  26          2HE       MET  26  21.721   1.070   1.070
  209    H    LEU  27           HN       LEU  27  26.641   0.320   0.320
  210    HA   LEU  27           HA       LEU  27  25.429  -0.658  -0.658
  211   1HB   LEU  27          2HB       LEU  27  27.017   1.737   1.737
  212   2HB   LEU  27          3HB       LEU  27  26.060   1.867   1.867
  213    HG   LEU  27           HG       LEU  27  27.455  -0.684  -0.684
  214   1HD1  LEU  27          2HD1      LEU  27  28.949   1.058   1.058
  215   2HD1  LEU  27          3HD1      LEU  27  29.390   1.565   1.565
  216   3HD1  LEU  27          1HD1      LEU  27  29.654  -0.119  -0.119
  217   1HD2  LEU  27          2HD2      LEU  27  27.024   1.568   1.568
  218   2HD2  LEU  27          3HD2      LEU  27  26.776  -0.182  -0.182
  219   3HD2  LEU  27          1HD2      LEU  27  28.419   0.499   0.499
  220    H    GLY  28           HN       GLY  28  23.307  -0.821  -0.821
  221   1HA   GLY  28          1HA       GLY  28  21.548   0.668   0.668
  222   2HA   GLY  28          2HA       GLY  28  21.609   1.538   1.538
  223    H    SER  29           HN       SER  29  22.239  -1.268  -1.268
  224    HA   SER  29           HA       SER  29  19.487  -1.787  -1.787
  225   1HB   SER  29          2HB       SER  29  21.932  -3.285  -3.285
  226   2HB   SER  29          3HB       SER  29  20.330  -3.277  -3.277
  227    HG   SER  29           HG       SER  29  20.854  -0.741  -0.741
  228    H    PHE  30           HN       PHE  30  18.252  -3.438  -3.438
  229    HA   PHE  30           HA       PHE  30  19.713  -5.463  -5.463
  230   1HB   PHE  30          2HB       PHE  30  17.844  -5.331  -5.331
  231   2HB   PHE  30          3HB       PHE  30  18.377  -3.690  -3.690
  232    HD1  PHE  30           HD2      PHE  30  17.057  -2.263  -2.263
  233    HD2  PHE  30           HD1      PHE  30  15.633  -5.997  -5.997
  234    HE1  PHE  30           HE2      PHE  30  14.722  -1.627  -1.627
  235    HE2  PHE  30           HE1      PHE  30  13.298  -5.361  -5.361
  236   1HZ   PHE  30           HZ       PHE  30  12.870  -3.183  -3.183
  237    H    MET  31           HN       MET  31  18.512  -7.562  -7.562
  238    HA   MET  31           HA       MET  31  16.509  -7.976  -7.976
  239   1HB   MET  31          2HB       MET  31  17.788 -10.027 -10.027
  240   2HB   MET  31          3HB       MET  31  18.597  -8.516  -8.516
  241   1HG   MET  31          2HG       MET  31  20.332  -8.916  -8.916
  242   2HG   MET  31          3HG       MET  31  19.300  -9.726  -9.726
  243   1HE   MET  31          1HE       MET  31  19.351 -10.273 -10.273
  244   2HE   MET  31          2HE       MET  31  21.122 -10.238 -10.238
  245   3HE   MET  31          3HE       MET  31  20.299 -11.759 -11.759
  246    H    ILE  32           HN       ILE  32  15.402 -10.136 -10.136
  247    HA   ILE  32           HA       ILE  32  15.776 -11.233 -11.233
  248    HB   ILE  32           HB       ILE  32  13.211 -10.328 -10.328
  249   1HG1  ILE  32          2HG1      ILE  32  14.132  -9.714  -9.714
  250   2HG1  ILE  32          3HG1      ILE  32  14.784  -8.811  -8.811
  251   1HG2  ILE  32          2HG2      ILE  32  13.019 -12.647 -12.647
  252   2HG2  ILE  32          3HG2      ILE  32  13.429 -11.960 -11.960
  253   3HG2  ILE  32          1HG2      ILE  32  11.954 -11.431 -11.431
  254   1HD1  ILE  32          3HD1      ILE  32  12.470  -8.224  -8.224
  255   2HD1  ILE  32          1HD1      ILE  32  11.819  -9.124  -9.124
  256   3HD1  ILE  32          2HD1      ILE  32  12.802  -7.665  -7.665
  257    H    ARG  33           HN       ARG  33  15.911 -13.431 -13.431
  258    HA   ARG  33           HA       ARG  33  14.799 -14.857 -14.857
  259   1HB   ARG  33          2HB       ARG  33  16.886 -16.196 -16.196
  260   2HB   ARG  33          3HB       ARG  33  17.177 -14.498 -14.498
  261   1HG   ARG  33          2HG       ARG  33  17.868 -14.335 -14.335
  262   2HG   ARG  33          3HG       ARG  33  17.927 -16.086 -16.086
  263   1HD   ARG  33          2HD       ARG  33  19.445 -15.778 -15.778
  264   2HD   ARG  33          3HD       ARG  33  19.622 -14.122 -14.122
  265    HE   ARG  33           HE       ARG  33  21.075 -14.886 -14.886
  266   1HH1  ARG  33          1HH2      ARG  33  19.749 -18.696 -18.696
  267   2HH1  ARG  33          2HH2      ARG  33  18.961 -17.539 -17.539
  268   1HH2  ARG  33          2HH1      ARG  33  22.115 -16.412 -16.412
  269   2HH2  ARG  33          1HH1      ARG  33  21.555 -18.050 -18.050
  270    H    ASP  34           HN       ASP  34  14.043 -16.955 -16.955
  271    HA   ASP  34           HA       ASP  34  13.802 -17.371 -17.371
  272   1HB   ASP  34          2HB       ASP  34  12.174 -17.930 -17.930
  273   2HB   ASP  34          3HB       ASP  34  13.045 -19.450 -19.450
  274    H    SER  35           HN       SER  35  14.377 -19.563 -19.563
  275    HA   SER  35           HA       SER  35  17.015 -20.263 -20.263
  276   1HB   SER  35          2HB       SER  35  16.658 -20.148 -20.148
  277   2HB   SER  35          3HB       SER  35  15.178 -21.082 -21.082
  278    HG   SER  35           HG       SER  35  17.806 -22.133 -22.133
  279    H    GLU  36           HN       GLU  36  17.577 -21.955 -21.955
  280    HA   GLU  36           HA       GLU  36  15.472 -23.555 -23.555
  281   1HB   GLU  36          2HB       GLU  36  17.017 -24.216 -24.216
  282   2HB   GLU  36          3HB       GLU  36  17.556 -22.600 -22.600
  283   1HG   GLU  36          2HG       GLU  36  19.056 -23.881 -23.881
  284   2HG   GLU  36          3HG       GLU  36  18.795 -25.256 -25.256
  285    H    THR  37           HN       THR  37  17.951 -23.824 -23.824
  286    HA   THR  37           HA       THR  37  17.642 -26.721 -26.721
  287    HB   THR  37           HB       THR  37  19.457 -26.397 -26.397
  288    HG1  THR  37           HG1      THR  37  20.218 -24.177 -24.177
  289   1HG2  THR  37          2HG2      THR  37  19.673 -25.881 -25.881
  290   2HG2  THR  37          3HG2      THR  37  20.837 -24.876 -24.876
  291   3HG2  THR  37          1HG2      THR  37  20.860 -26.645 -26.645
  292    H    THR  38           HN       THR  38  17.247 -23.845 -23.845
  293    HA   THR  38           HA       THR  38  15.560 -25.512 -25.512
  294    HB   THR  38           HB       THR  38  16.933 -22.796 -22.796
  295    HG1  THR  38           HG1      THR  38  18.015 -24.152 -24.152
  296   1HG2  THR  38          3HG2      THR  38  14.587 -23.770 -23.770
  297   2HG2  THR  38          1HG2      THR  38  15.984 -23.859 -23.859
  298   3HG2  THR  38          2HG2      THR  38  15.543 -22.309 -22.309
  299    H    LYS  39           HN       LYS  39  13.929 -25.633 -25.633
  300    HA   LYS  39           HA       LYS  39  12.603 -23.418 -23.418
  301   1HB   LYS  39          2HB       LYS  39  10.720 -25.013 -25.013
  302   2HB   LYS  39          3HB       LYS  39  12.272 -25.558 -25.558
  303   1HG   LYS  39          2HG       LYS  39  12.316 -27.356 -27.356
  304   2HG   LYS  39          3HG       LYS  39  11.837 -26.396 -26.396
  305   1HD   LYS  39          2HD       LYS  39   9.860 -27.529 -27.529
  306   2HD   LYS  39          3HD       LYS  39   9.483 -26.427 -26.427
  307   1HE   LYS  39          2HE       LYS  39  11.134 -28.774 -28.774
  308   2HE   LYS  39          3HE       LYS  39   9.529 -29.182 -29.182
  309   1HZ   LYS  39          1HZ       LYS  39   8.905 -27.207 -27.207
  310   2HZ   LYS  39          2HZ       LYS  39  10.291 -27.632 -27.632
  311   3HZ   LYS  39          3HZ       LYS  39   9.088 -28.723 -28.723
  312    H    GLY  40           HN       GLY  40  10.546 -22.435 -22.435
  313   1HA   GLY  40          1HA       GLY  40   8.872 -21.887 -21.887
  314   2HA   GLY  40          2HA       GLY  40   9.613 -22.883 -22.883
  315    H    SER  41           HN       SER  41  12.270 -21.357 -21.357
  316    HA   SER  41           HA       SER  41  11.793 -19.023 -19.023
  317   1HB   SER  41          2HB       SER  41  14.279 -20.771 -20.771
  318   2HB   SER  41          3HB       SER  41  14.288 -19.201 -19.201
  319    HG   SER  41           HG       SER  41  12.488 -21.338 -21.338
  320    H    TYR  42           HN       TYR  42  12.889 -17.040 -17.040
  321    HA   TYR  42           HA       TYR  42  13.755 -17.125 -17.125
  322   1HB   TYR  42          2HB       TYR  42  12.217 -15.222 -15.222
  323   2HB   TYR  42          3HB       TYR  42  13.096 -14.531 -14.531
  324    HD1  TYR  42           HD1      TYR  42  10.450 -17.020 -17.020
  325    HD2  TYR  42           HD2      TYR  42  12.174 -14.536 -14.536
  326    HE1  TYR  42           HE1      TYR  42   8.498 -17.534 -17.534
  327    HE2  TYR  42           HE2      TYR  42  10.216 -15.059 -15.059
  328    HH   TYR  42           HH       TYR  42   8.192 -17.577 -17.577
  329    H    SER  43           HN       SER  43  15.371 -15.408 -15.408
  330    HA   SER  43           HA       SER  43  17.005 -14.607 -14.607
  331   1HB   SER  43          2HB       SER  43  18.189 -15.902 -15.902
  332   2HB   SER  43          3HB       SER  43  19.058 -15.399 -15.399
  333    HG   SER  43           HG       SER  43  18.323 -17.794 -17.794
  334    H    LEU  44           HN       LEU  44  17.586 -12.464 -12.464
  335    HA   LEU  44           HA       LEU  44  17.121 -11.237 -11.237
  336   1HB   LEU  44          2HB       LEU  44  15.820 -10.228 -10.228
  337   2HB   LEU  44          3HB       LEU  44  17.137 -10.211 -10.211
  338    HG   LEU  44           HG       LEU  44  18.295  -8.582  -8.582
  339   1HD1  LEU  44          3HD1      LEU  44  16.072  -9.135  -9.135
  340   2HD1  LEU  44          1HD1      LEU  44  15.693  -7.546  -7.546
  341   3HD1  LEU  44          2HD1      LEU  44  17.196  -7.773  -7.773
  342   1HD2  LEU  44          2HD2      LEU  44  16.999  -8.207  -8.207
  343   2HD2  LEU  44          3HD2      LEU  44  17.662  -6.864  -6.864
  344   3HD2  LEU  44          1HD2      LEU  44  15.931  -7.264  -7.264
  345    H    SER  45           HN       SER  45  18.696  -9.778  -9.778
  346    HA   SER  45           HA       SER  45  21.311  -9.917  -9.917
  347   1HB   SER  45          2HB       SER  45  20.998 -10.499 -10.499
  348   2HB   SER  45          3HB       SER  45  22.419 -10.727 -10.727
  349    HG   SER  45           HG       SER  45  20.012 -12.295 -12.295
  350    H    VAL  46           HN       VAL  46  22.258  -7.901  -7.901
  351    HA   VAL  46           HA       VAL  46  21.366  -6.071  -6.071
  352    HB   VAL  46           HB       VAL  46  21.642  -5.508  -5.508
  353   1HG1  VAL  46          2HG1      VAL  46  21.089  -3.591  -3.591
  354   2HG1  VAL  46          3HG1      VAL  46  20.986  -3.190  -3.190
  355   3HG1  VAL  46          1HG1      VAL  46  22.552  -3.639  -3.639
  356   1HG2  VAL  46          1HG2      VAL  46  19.419  -6.289  -6.289
  357   2HG2  VAL  46          2HG2      VAL  46  19.463  -5.966  -5.966
  358   3HG2  VAL  46          3HG2      VAL  46  19.155  -4.637  -4.637
  359    H    ARG  47           HN       ARG  47  22.953  -4.387  -4.387
  360    HA   ARG  47           HA       ARG  47  25.581  -5.477  -5.477
  361   1HB   ARG  47          2HB       ARG  47  24.806  -4.586  -4.586
  362   2HB   ARG  47          3HB       ARG  47  24.510  -3.013  -3.013
  363   1HG   ARG  47          2HG       ARG  47  26.766  -2.464  -2.464
  364   2HG   ARG  47          3HG       ARG  47  27.274  -4.119  -4.119
  365   1HD   ARG  47          2HD       ARG  47  26.939  -4.684  -4.684
  366   2HD   ARG  47          3HD       ARG  47  26.156  -3.148  -3.148
  367    HE   ARG  47           HE       ARG  47  28.738  -2.589  -2.589
  368   1HH1  ARG  47          2HH2      ARG  47  27.302  -3.998  -3.998
  369   2HH1  ARG  47          1HH2      ARG  47  28.624  -3.555  -3.555
  370   1HH2  ARG  47          2HH1      ARG  47  30.481  -2.004  -2.004
  371   2HH2  ARG  47          1HH1      ARG  47  30.444  -2.413  -2.413
  372    H    ASP  48           HN       ASP  48  27.390  -4.412  -4.412
  373    HA   ASP  48           HA       ASP  48  26.851  -1.912  -1.912
  374   1HB   ASP  48          2HB       ASP  48  26.187  -3.679  -3.679
  375   2HB   ASP  48          3HB       ASP  48  27.774  -4.408  -4.408
  376    H    TYR  49           HN       TYR  49  29.009  -1.071  -1.071
  377    HA   TYR  49           HA       TYR  49  31.330  -2.302  -2.302
  378   1HB   TYR  49          2HB       TYR  49  30.240  -0.173  -0.173
  379   2HB   TYR  49          3HB       TYR  49  30.716   0.693   0.693
  380    HD1  TYR  49           HD1      TYR  49  33.196   0.838   0.838
  381    HD2  TYR  49           HD2      TYR  49  31.783  -0.547  -0.547
  382    HE1  TYR  49           HE1      TYR  49  35.484   1.273   1.273
  383    HE2  TYR  49           HE2      TYR  49  34.076  -0.108  -0.108
  384    HH   TYR  49           HH       TYR  49  36.035   1.591   1.591
  385    H    ASP  50           HN       ASP  50  33.378  -1.914  -1.914
  386    HA   ASP  50           HA       ASP  50  33.067  -0.826  -0.826
  387   1HB   ASP  50          2HB       ASP  50  33.800  -3.562  -3.562
  388   2HB   ASP  50          3HB       ASP  50  35.044  -2.833  -2.833
  389    HA   PRO  51           HA       PRO  51  36.807   1.143   1.143
  390   1HB   PRO  51          2HB       PRO  51  37.703   2.037   2.037
  391   2HB   PRO  51          3HB       PRO  51  36.469   2.863   2.863
  392   1HG   PRO  51          2HG       PRO  51  36.161   1.202   1.202
  393   2HG   PRO  51          3HG       PRO  51  35.040   2.361   2.361
  394   1HD   PRO  51          2HD       PRO  51  34.872  -0.497  -0.497
  395   2HD   PRO  51          3HD       PRO  51  33.817   0.663   0.663
  396    H    ARG  52           HN       ARG  52  36.720  -1.632  -1.632
  397    HA   ARG  52           HA       ARG  52  39.602  -1.771  -1.771
  398   1HB   ARG  52          2HB       ARG  52  37.379  -3.455  -3.455
  399   2HB   ARG  52          3HB       ARG  52  39.032  -4.036  -4.036
  400   1HG   ARG  52          2HG       ARG  52  39.003  -2.943  -2.943
  401   2HG   ARG  52          3HG       ARG  52  39.601  -1.657  -1.657
  402   1HD   ARG  52          2HD       ARG  52  37.457  -0.574  -0.574
  403   2HD   ARG  52          3HD       ARG  52  36.618  -1.994  -1.994
  404    HE   ARG  52           HE       ARG  52  37.102  -1.325  -1.325
  405   1HH1  ARG  52          2HH2      ARG  52  39.357   0.254   0.254
  406   2HH1  ARG  52          1HH2      ARG  52  40.078   1.227   1.227
  407   1HH2  ARG  52          2HH1      ARG  52  38.053  -0.042  -0.042
  408   2HH2  ARG  52          1HH1      ARG  52  39.331   1.058   1.058
  409    H    GLN  53           HN       GLN  53  36.783  -3.878  -3.878
  410    HA   GLN  53           HA       GLN  53  38.511  -5.402  -5.402
  411   1HB   GLN  53          2HB       GLN  53  35.528  -5.530  -5.530
  412   2HB   GLN  53          3HB       GLN  53  36.310  -6.607  -6.607
  413   1HG   GLN  53          2HG       GLN  53  37.956  -6.690  -6.690
  414   2HG   GLN  53          3HG       GLN  53  36.318  -6.692  -6.692
  415   1HE2  GLN  53          2HE2      GLN  53  37.474 -10.190 -10.190
  416   2HE2  GLN  53          1HE2      GLN  53  38.067  -8.836  -8.836
  417    H    GLY  54           HN       GLY  54  35.431  -3.523  -3.523
  418   1HA   GLY  54          1HA       GLY  54  35.710  -1.752  -1.752
  419   2HA   GLY  54          2HA       GLY  54  36.333  -3.036  -3.036
  420    H    ASP  55           HN       ASP  55  34.803  -3.499  -3.499
  421    HA   ASP  55           HA       ASP  55  32.081  -3.097  -3.097
  422   1HB   ASP  55          2HB       ASP  55  33.171  -4.944  -4.944
  423   2HB   ASP  55          3HB       ASP  55  31.757  -3.911  -3.911
  424    H    THR  56           HN       THR  56  30.889  -4.434  -4.434
  425    HA   THR  56           HA       THR  56  31.347  -7.330  -7.330
  426    HB   THR  56           HB       THR  56  31.468  -7.547  -7.547
  427    HG1  THR  56           HG1      THR  56  30.116  -6.231  -6.231
  428   1HG2  THR  56          3HG2      THR  56  33.252  -5.748  -5.748
  429   2HG2  THR  56          1HG2      THR  56  32.434  -4.713  -4.713
  430   3HG2  THR  56          2HG2      THR  56  33.246  -6.208  -6.208
  431    H    VAL  57           HN       VAL  57  29.429  -8.564  -8.564
  432    HA   VAL  57           HA       VAL  57  26.958  -7.099  -7.099
  433    HB   VAL  57           HB       VAL  57  27.562  -9.945  -9.945
  434   1HG1  VAL  57          3HG1      VAL  57  25.166  -8.153  -8.153
  435   2HG1  VAL  57          1HG1      VAL  57  25.475  -9.320  -9.320
  436   3HG1  VAL  57          2HG1      VAL  57  25.267  -9.892  -9.892
  437   1HG2  VAL  57          3HG2      VAL  57  28.375  -7.494  -7.494
  438   2HG2  VAL  57          1HG2      VAL  57  28.603  -9.166  -9.166
  439   3HG2  VAL  57          2HG2      VAL  57  27.135  -8.267  -8.267
  440    H    LYS  58           HN       LYS  58  25.531  -7.174  -7.174
  441    HA   LYS  58           HA       LYS  58  26.161  -8.972  -8.972
  442   1HB   LYS  58          2HB       LYS  58  24.411  -6.531  -6.531
  443   2HB   LYS  58          3HB       LYS  58  24.290  -7.576  -7.576
  444   1HG   LYS  58          2HG       LYS  58  27.076  -6.812  -6.812
  445   2HG   LYS  58          3HG       LYS  58  26.066  -5.479  -5.479
  446   1HD   LYS  58          2HD       LYS  58  25.676  -7.788  -7.788
  447   2HD   LYS  58          3HD       LYS  58  27.379  -7.390  -7.390
  448   1HE   LYS  58          2HE       LYS  58  27.027  -5.148  -5.148
  449   2HE   LYS  58          3HE       LYS  58  25.302  -5.221  -5.221
  450   1HZ   LYS  58          3HZ       LYS  58  26.051  -7.282  -7.282
  451   2HZ   LYS  58          1HZ       LYS  58  26.601  -5.859  -5.859
  452   3HZ   LYS  58          2HZ       LYS  58  25.011  -6.051  -6.051
  453    H    HIS  59           HN       HIS  59  24.368 -10.197 -10.197
  454    HA   HIS  59           HA       HIS  59  22.158 -10.807 -10.807
  455   1HB   HIS  59          2HB       HIS  59  24.223 -12.841 -12.841
  456   2HB   HIS  59          3HB       HIS  59  22.619 -13.286 -13.286
  457    HD1  HIS  59           HD1      HIS  59  22.482 -13.813 -13.813
  458    HD2  HIS  59           HD2      HIS  59  25.583 -11.120 -11.120
  459    HE1  HIS  59           HE1      HIS  59  23.675 -13.376 -13.376
  460    H    TYR  60           HN       TYR  60  20.373 -10.623 -10.623
  461    HA   TYR  60           HA       TYR  60  20.667 -11.327 -11.327
  462   1HB   TYR  60          2HB       TYR  60  18.597  -9.551  -9.551
  463   2HB   TYR  60          3HB       TYR  60  18.894  -9.612  -9.612
  464    HD1  TYR  60           HD1      TYR  60  20.391  -8.569  -8.569
  465    HD2  TYR  60           HD2      TYR  60  20.520  -8.211  -8.211
  466    HE1  TYR  60           HE1      TYR  60  22.027  -6.633  -6.633
  467    HE2  TYR  60           HE2      TYR  60  22.155  -6.276  -6.276
  468    HH   TYR  60           HH       TYR  60  23.328  -5.261  -5.261
  469    H    LYS  61           HN       LYS  61  19.498 -13.028 -13.028
  470    HA   LYS  61           HA       LYS  61  17.871 -14.486 -14.486
  471   1HB   LYS  61          2HB       LYS  61  17.926 -16.142 -16.142
  472   2HB   LYS  61          3HB       LYS  61  19.352 -15.240 -15.240
  473   1HG   LYS  61          2HG       LYS  61  16.578 -14.873 -14.873
  474   2HG   LYS  61          3HG       LYS  61  17.872 -15.809 -15.809
  475   1HD   LYS  61          2HD       LYS  61  19.304 -13.642 -13.642
  476   2HD   LYS  61          3HD       LYS  61  17.803 -12.805 -12.805
  477   1HE   LYS  61          2HE       LYS  61  16.922 -13.207 -13.207
  478   2HE   LYS  61          3HE       LYS  61  17.890 -14.646 -14.646
  479   1HZ   LYS  61          1HZ       LYS  61  19.774 -12.812 -12.812
  480   2HZ   LYS  61          2HZ       LYS  61  18.588 -11.896 -11.896
  481   3HZ   LYS  61          3HZ       LYS  61  19.103 -13.237 -13.237
  482    H    ILE  62           HN       ILE  62  15.567 -15.167 -15.167
  483    HA   ILE  62           HA       ILE  62  14.133 -12.988 -12.988
  484    HB   ILE  62           HB       ILE  62  13.766 -13.939 -13.939
  485   1HG1  ILE  62          2HG1      ILE  62  13.545 -11.105 -11.105
  486   2HG1  ILE  62          3HG1      ILE  62  15.134 -11.839 -11.839
  487   1HG2  ILE  62          3HG2      ILE  62  11.597 -14.181 -14.181
  488   2HG2  ILE  62          1HG2      ILE  62  11.683 -12.465 -12.465
  489   3HG2  ILE  62          2HG2      ILE  62  11.579 -12.919 -12.919
  490   1HD1  ILE  62          1HD1      ILE  62  13.295 -12.210 -12.210
  491   2HD1  ILE  62          2HD1      ILE  62  14.019 -10.603 -10.603
  492   3HD1  ILE  62          3HD1      ILE  62  15.066 -12.028 -12.028
  493    H    ARG  63           HN       ARG  63  13.185 -13.978 -13.978
  494    HA   ARG  63           HA       ARG  63  12.370 -16.721 -16.721
  495   1HB   ARG  63          2HB       ARG  63  12.545 -14.958 -14.958
  496   2HB   ARG  63          3HB       ARG  63  11.995 -16.622 -16.622
  497   1HG   ARG  63          2HG       ARG  63  14.563 -16.295 -16.295
  498   2HG   ARG  63          3HG       ARG  63  14.650 -15.772 -15.772
  499   1HD   ARG  63          2HD       ARG  63  13.889 -17.937 -17.937
  500   2HD   ARG  63          3HD       ARG  63  13.449 -18.460 -18.460
  501    HE   ARG  63           HE       ARG  63  16.259 -17.731 -17.731
  502   1HH1  ARG  63          2HH2      ARG  63  13.973 -20.306 -20.306
  503   2HH1  ARG  63          1HH2      ARG  63  15.164 -21.562 -21.562
  504   1HH2  ARG  63          2HH1      ARG  63  17.830 -19.386 -19.386
  505   2HH2  ARG  63          1HH1      ARG  63  17.372 -21.035 -21.035
  506    H    THR  64           HN       THR  64  10.168 -17.427 -17.427
  507    HA   THR  64           HA       THR  64   8.216 -15.255 -15.255
  508    HB   THR  64           HB       THR  64   6.753 -17.128 -17.128
  509    HG1  THR  64           HG1      THR  64   7.625 -18.916 -18.916
  510   1HG2  THR  64          3HG2      THR  64   9.494 -16.682 -16.682
  511   2HG2  THR  64          1HG2      THR  64   8.480 -17.993 -17.993
  512   3HG2  THR  64          2HG2      THR  64   7.894 -16.313 -16.313
  513    H    LEU  65           HN       LEU  65   6.276 -15.232 -15.232
  514    HA   LEU  65           HA       LEU  65   6.812 -16.257 -16.257
  515   1HB   LEU  65          2HB       LEU  65   4.839 -14.210 -14.210
  516   2HB   LEU  65          3HB       LEU  65   4.993 -14.704 -14.704
  517    HG   LEU  65           HG       LEU  65   7.405 -13.643 -13.643
  518   1HD1  LEU  65          3HD1      LEU  65   4.953 -12.170 -12.170
  519   2HD1  LEU  65          1HD1      LEU  65   6.244 -11.461 -11.461
  520   3HD1  LEU  65          2HD1      LEU  65   6.485 -11.667 -11.667
  521   1HD2  LEU  65          2HD2      LEU  65   7.351 -14.672 -14.672
  522   2HD2  LEU  65          3HD2      LEU  65   8.217 -13.138 -13.138
  523   3HD2  LEU  65          1HD2      LEU  65   6.596 -13.133 -13.133
  524    H    ASP  66           HN       ASP  66   5.365 -17.610 -17.610
  525    HA   ASP  66           HA       ASP  66   4.252 -19.623 -19.623
  526   1HB   ASP  66          2HB       ASP  66   3.999 -18.452 -18.452
  527   2HB   ASP  66          3HB       ASP  66   2.484 -19.186 -19.186
  528    H    ASN  67           HN       ASN  67   2.570 -16.602 -16.602
  529    HA   ASN  67           HA       ASN  67   0.559 -17.129 -17.129
  530   1HB   ASN  67          2HB       ASN  67   0.207 -16.305 -16.305
  531   2HB   ASN  67          3HB       ASN  67  -0.988 -15.811 -15.811
  532   1HD2  ASN  67          2HD2      ASN  67  -2.425 -18.862 -18.862
  533   2HD2  ASN  67          1HD2      ASN  67  -2.226 -17.182 -17.182
  534    H    GLY  68           HN       GLY  68   2.322 -15.625 -15.625
  535   1HA   GLY  68          1HA       GLY  68   1.378 -12.888 -12.888
  536   2HA   GLY  68          2HA       GLY  68   3.044 -13.135 -13.135
  537    H    GLY  69           HN       GLY  69   4.491 -12.744 -12.744
  538   1HA   GLY  69          1HA       GLY  69   3.889 -13.770 -13.770
  539   2HA   GLY  69          2HA       GLY  69   4.227 -12.061 -12.061
  540    H    PHE  70           HN       PHE  70   6.345 -11.356 -11.356
  541    HA   PHE  70           HA       PHE  70   8.387 -13.337 -13.337
  542   1HB   PHE  70          2HB       PHE  70   8.419 -11.435 -11.435
  543   2HB   PHE  70          3HB       PHE  70   9.612 -12.669 -12.669
  544    HD1  PHE  70           HD2      PHE  70   5.960 -12.320 -12.320
  545    HD2  PHE  70           HD1      PHE  70   9.439 -14.722 -14.722
  546    HE1  PHE  70           HE2      PHE  70   4.678 -13.958 -13.958
  547    HE2  PHE  70           HE1      PHE  70   8.156 -16.360 -16.360
  548   1HZ   PHE  70           HZ       PHE  70   5.792 -15.959 -15.959
  549    H    TYR  71           HN       TYR  71  10.023 -12.497 -12.497
  550    HA   TYR  71           HA       TYR  71  10.236  -9.567  -9.567
  551   1HB   TYR  71          2HB       TYR  71  10.234  -9.731  -9.731
  552   2HB   TYR  71          3HB       TYR  71   8.961 -10.833 -10.833
  553    HD1  TYR  71           HD1      TYR  71   9.300 -13.281 -13.281
  554    HD2  TYR  71           HD2      TYR  71  12.299 -10.546 -10.546
  555    HE1  TYR  71           HE1      TYR  71  10.459 -15.163 -15.163
  556    HE2  TYR  71           HE2      TYR  71  13.448 -12.437 -12.437
  557    HH   TYR  71           HH       TYR  71  12.238 -14.953 -14.953
  558    H    ILE  72           HN       ILE  72  12.350  -8.748  -8.748
  559    HA   ILE  72           HA       ILE  72  14.445 -10.756 -10.756
  560    HB   ILE  72           HB       ILE  72  14.325  -7.824  -7.824
  561   1HG1  ILE  72          2HG1      ILE  72  14.403 -10.350 -10.350
  562   2HG1  ILE  72          3HG1      ILE  72  13.094  -9.191  -9.191
  563   1HG2  ILE  72          2HG2      ILE  72  16.620  -9.533  -9.533
  564   2HG2  ILE  72          3HG2      ILE  72  16.621  -8.899  -8.899
  565   3HG2  ILE  72          1HG2      ILE  72  16.536  -7.778  -7.778
  566   1HD1  ILE  72          1HD1      ILE  72  15.201  -7.543  -7.543
  567   2HD1  ILE  72          2HD1      ILE  72  15.614  -9.048  -9.048
  568   3HD1  ILE  72          3HD1      ILE  72  14.048  -8.257  -8.257
  569    H    SER  73           HN       SER  73  13.471  -7.815  -7.815
  570    HA   SER  73           HA       SER  73  15.466  -8.631  -8.631
  571   1HB   SER  73          2HB       SER  73  15.701  -6.341  -6.341
  572   2HB   SER  73          3HB       SER  73  14.404  -5.801  -5.801
  573    HG   SER  73           HG       SER  73  16.592  -5.378  -5.378
  574    HA   PRO  74           HA       PRO  74  12.087  -8.958  -8.958
  575   1HB   PRO  74          2HB       PRO  74  13.362  -8.886  -8.886
  576   2HB   PRO  74          3HB       PRO  74  13.271 -10.327 -10.327
  577   1HG   PRO  74          2HG       PRO  74  15.569  -8.519  -8.519
  578   2HG   PRO  74          3HG       PRO  74  15.564 -10.157 -10.157
  579   1HD   PRO  74          2HD       PRO  74  15.862  -7.743  -7.743
  580   2HD   PRO  74          3HD       PRO  74  15.741  -9.373  -9.373
  581    H    ARG  75           HN       ARG  75  11.843  -6.612  -6.612
  582    HA   ARG  75           HA       ARG  75  11.326  -4.989  -4.989
  583   1HB   ARG  75          2HB       ARG  75  12.530  -3.956  -3.956
  584   2HB   ARG  75          3HB       ARG  75  12.066  -2.950  -2.950
  585   1HG   ARG  75          2HG       ARG  75  13.934  -5.227  -5.227
  586   2HG   ARG  75          3HG       ARG  75  14.592  -3.896  -3.896
  587   1HD   ARG  75          2HD       ARG  75  13.341  -2.452  -2.452
  588   2HD   ARG  75          3HD       ARG  75  13.606  -3.925  -3.925
  589    HE   ARG  75           HE       ARG  75  16.045  -3.297  -3.297
  590   1HH1  ARG  75          2HH2      ARG  75  13.989  -1.981  -1.981
  591   2HH1  ARG  75          1HH2      ARG  75  15.294  -1.204  -1.204
  592   1HH2  ARG  75          2HH1      ARG  75  17.767  -2.273  -2.273
  593   2HH2  ARG  75          1HH1      ARG  75  17.458  -1.371  -1.371
  594    H    SER  76           HN       SER  76  10.975  -4.900  -4.900
  595    HA   SER  76           HA       SER  76   8.112  -4.619  -4.619
  596   1HB   SER  76          2HB       SER  76   9.938  -2.909  -2.909
  597   2HB   SER  76          3HB       SER  76   8.266  -3.122  -3.122
  598    HG   SER  76           HG       SER  76   8.997  -2.292  -2.292
  599    H    THR  77           HN       THR  77   7.177  -6.426  -6.426
  600    HA   THR  77           HA       THR  77   8.544  -7.745  -7.745
  601    HB   THR  77           HB       THR  77   7.283  -9.662  -9.662
  602    HG1  THR  77           HG1      THR  77   5.663  -7.640  -7.640
  603   1HG2  THR  77          1HG2      THR  77   8.766  -8.459  -8.459
  604   2HG2  THR  77          2HG2      THR  77   7.160  -8.308  -8.308
  605   3HG2  THR  77          3HG2      THR  77   7.797  -9.915  -9.915
  606    H    PHE  78           HN       PHE  78   7.038  -8.724  -8.724
  607    HA   PHE  78           HA       PHE  78   4.942  -6.795  -6.795
  608   1HB   PHE  78          2HB       PHE  78   6.974  -7.970  -7.970
  609   2HB   PHE  78          3HB       PHE  78   5.883  -6.630  -6.630
  610    HD1  PHE  78           HD2      PHE  78   8.851  -7.630  -7.630
  611    HD2  PHE  78           HD1      PHE  78   6.571  -4.425  -4.425
  612    HE1  PHE  78           HE2      PHE  78  10.656  -6.017  -6.017
  613    HE2  PHE  78           HE1      PHE  78   8.376  -2.811  -2.811
  614   1HZ   PHE  78           HZ       PHE  78  10.397  -3.627  -3.627
  615    H    SER  79           HN       SER  79   3.183  -7.656  -7.656
  616    HA   SER  79           HA       SER  79   2.990 -10.494 -10.494
  617   1HB   SER  79          2HB       SER  79   1.064  -8.312  -8.312
  618   2HB   SER  79          3HB       SER  79   0.639 -10.011 -10.011
  619    HG   SER  79           HG       SER  79   0.812 -10.186 -10.186
  620    H    THR  80           HN       THR  80   3.786  -8.094  -8.094
  621    HA   THR  80           HA       THR  80   3.899 -10.230 -10.230
  622    HB   THR  80           HB       THR  80   2.943  -8.625  -8.625
  623    HG1  THR  80           HG1      THR  80   2.585  -7.086  -7.086
  624   1HG2  THR  80          2HG2      THR  80   1.269  -8.960  -8.960
  625   2HG2  THR  80          3HG2      THR  80   0.621  -8.348  -8.348
  626   3HG2  THR  80          1HG2      THR  80   1.240 -10.014 -10.014
  627    H    LEU  81           HN       LEU  81   5.438  -9.822  -9.822
  628    HA   LEU  81           HA       LEU  81   7.783  -8.591  -8.591
  629   1HB   LEU  81          2HB       LEU  81   7.112 -10.148 -10.148
  630   2HB   LEU  81          3HB       LEU  81   8.638  -9.295  -9.295
  631    HG   LEU  81           HG       LEU  81   7.745 -11.272 -11.272
  632   1HD1  LEU  81          2HD1      LEU  81   8.660 -11.802 -11.802
  633   2HD1  LEU  81          3HD1      LEU  81   9.624 -12.617 -12.617
  634   3HD1  LEU  81          1HD1      LEU  81   7.864 -12.871 -12.871
  635   1HD2  LEU  81          2HD2      LEU  81   9.766  -9.471  -9.471
  636   2HD2  LEU  81          3HD2      LEU  81   9.783 -11.035 -11.035
  637   3HD2  LEU  81          1HD2      LEU  81  10.602 -10.867 -10.867
  638    H    GLN  82           HN       GLN  82   5.109  -7.660  -7.660
  639    HA   GLN  82           HA       GLN  82   6.487  -5.668  -5.668
  640   1HB   GLN  82          2HB       GLN  82   4.240  -6.781  -6.781
  641   2HB   GLN  82          3HB       GLN  82   3.505  -5.725  -5.725
  642   1HG   GLN  82          2HG       GLN  82   3.633  -3.899  -3.899
  643   2HG   GLN  82          3HG       GLN  82   5.281  -4.255  -4.255
  644   1HE2  GLN  82          2HE2      GLN  82   4.373  -5.263  -5.263
  645   2HE2  GLN  82          1HE2      GLN  82   5.471  -4.476  -4.476
  646    H    GLU  83           HN       GLU  83   5.010  -5.878  -5.878
  647    HA   GLU  83           HA       GLU  83   5.010  -3.021  -3.021
  648   1HB   GLU  83          2HB       GLU  83   4.298  -5.289  -5.289
  649   2HB   GLU  83          3HB       GLU  83   4.204  -3.595  -3.595
  650   1HG   GLU  83          2HG       GLU  83   2.809  -4.570  -4.570
  651   2HG   GLU  83          3HG       GLU  83   2.061  -4.833  -4.833
  652    H    LEU  84           HN       LEU  84   7.102  -5.770  -5.770
  653    HA   LEU  84           HA       LEU  84   8.632  -4.482  -4.482
  654   1HB   LEU  84          2HB       LEU  84   8.599  -6.773  -6.773
  655   2HB   LEU  84          3HB       LEU  84   8.750  -7.055  -7.055
  656    HG   LEU  84           HG       LEU  84  11.048  -5.803  -5.803
  657   1HD1  LEU  84          1HD1      LEU  84  10.150  -8.662  -8.662
  658   2HD1  LEU  84          2HD1      LEU  84  11.878  -8.241  -8.241
  659   3HD1  LEU  84          3HD1      LEU  84  10.752  -7.552  -7.552
  660   1HD2  LEU  84          3HD2      LEU  84  10.706  -7.531  -7.531
  661   2HD2  LEU  84          1HD2      LEU  84  11.375  -5.887  -5.887
  662   3HD2  LEU  84          2HD2      LEU  84  12.291  -7.272  -7.272
  663    H    VAL  85           HN       VAL  85   8.699  -4.835  -4.835
  664    HA   VAL  85           HA       VAL  85  11.338  -3.767  -3.767
  665    HB   VAL  85           HB       VAL  85   9.113  -4.257  -4.257
  666   1HG1  VAL  85          3HG1      VAL  85  11.917  -3.210  -3.210
  667   2HG1  VAL  85          1HG1      VAL  85  11.114  -4.145  -4.145
  668   3HG1  VAL  85          2HG1      VAL  85  10.392  -2.625  -2.625
  669   1HG2  VAL  85          2HG2      VAL  85  10.856  -6.030  -6.030
  670   2HG2  VAL  85          3HG2      VAL  85   9.783  -6.384  -6.384
  671   3HG2  VAL  85          1HG2      VAL  85  11.470  -5.893  -5.893
  672    H    ASP  86           HN       ASP  86   7.973  -2.538  -2.538
  673    HA   ASP  86           HA       ASP  86   8.628  -0.034  -0.034
  674   1HB   ASP  86          2HB       ASP  86   6.330  -1.177  -1.177
  675   2HB   ASP  86          3HB       ASP  86   6.408   0.557   0.557
  676    H    HIS  87           HN       HIS  87   8.437  -1.468  -1.468
  677    HA   HIS  87           HA       HIS  87   8.711   0.963   0.963
  678   1HB   HIS  87          2HB       HIS  87   7.812  -1.260  -1.260
  679   2HB   HIS  87          3HB       HIS  87   9.477  -1.792  -1.792
  680    HD1  HIS  87           HD1      HIS  87  10.853  -0.946  -0.946
  681    HD2  HIS  87           HD2      HIS  87   7.074   0.849   0.849
  682    HE1  HIS  87           HE1      HIS  87  10.499   0.344   0.344
  683    H    TYR  88           HN       TYR  88  10.994  -1.400  -1.400
  684    HA   TYR  88           HA       TYR  88  13.275  -0.239  -0.239
  685   1HB   TYR  88          2HB       TYR  88  12.555  -2.269  -2.269
  686   2HB   TYR  88          3HB       TYR  88  14.213  -1.705  -1.705
  687    HD1  TYR  88           HD2      TYR  88  14.625  -1.446  -1.446
  688    HD2  TYR  88           HD1      TYR  88  12.721  -4.507  -4.507
  689    HE1  TYR  88           HE2      TYR  88  15.152  -3.149  -3.149
  690    HE2  TYR  88           HE1      TYR  88  13.255  -6.199  -6.199
  691    HH   TYR  88           HH       TYR  88  15.351  -5.388  -5.388
  692    H    LYS  89           HN       LYS  89  11.337   0.454   0.454
  693    HA   LYS  89           HA       LYS  89  13.429   1.753   1.753
  694   1HB   LYS  89          2HB       LYS  89  10.456   1.445   1.445
  695   2HB   LYS  89          3HB       LYS  89  11.297   2.662   2.662
  696   1HG   LYS  89          2HG       LYS  89  12.914   0.332   0.332
  697   2HG   LYS  89          3HG       LYS  89  11.266  -0.243  -0.243
  698   1HD   LYS  89          2HD       LYS  89  10.821   1.265   1.265
  699   2HD   LYS  89          3HD       LYS  89  12.318   2.137   2.137
  700   1HE   LYS  89          2HE       LYS  89  12.999   0.744   0.744
  701   2HE   LYS  89          3HE       LYS  89  13.422  -0.274  -0.274
  702   1HZ   LYS  89          2HZ       LYS  89  10.728  -0.487  -0.487
  703   2HZ   LYS  89          3HZ       LYS  89  11.933  -1.137  -1.137
  704   3HZ   LYS  89          1HZ       LYS  89  11.686  -1.641  -1.641
  705    H    LYS  90           HN       LYS  90  11.103   2.607   2.607
  706    HA   LYS  90           HA       LYS  90  11.458   5.428   5.428
  707   1HB   LYS  90          2HB       LYS  90   9.876   3.668   3.668
  708   2HB   LYS  90          3HB       LYS  90  10.241   5.288   5.288
  709   1HG   LYS  90          2HG       LYS  90   8.558   6.078   6.078
  710   2HG   LYS  90          3HG       LYS  90   9.461   5.598   5.598
  711   1HD   LYS  90          2HD       LYS  90   8.379   3.453   3.453
  712   2HD   LYS  90          3HD       LYS  90   7.766   3.589   3.589
  713   1HE   LYS  90          2HE       LYS  90   6.879   5.826   5.826
  714   2HE   LYS  90          3HE       LYS  90   6.379   4.269   4.269
  715   1HZ   LYS  90          2HZ       LYS  90   5.952   5.113   5.113
  716   2HZ   LYS  90          3HZ       LYS  90   4.827   5.232   5.232
  717   3HZ   LYS  90          1HZ       LYS  90   5.366   3.763   3.763
  718    H    GLY  91           HN       GLY  91  12.891   2.804   2.804
  719   1HA   GLY  91          1HA       GLY  91  15.192   4.337   4.337
  720   2HA   GLY  91          2HA       GLY  91  14.141   4.284   4.284
  721    H    ASN  92           HN       ASN  92  16.837   3.023   3.023
  722    HA   ASN  92           HA       ASN  92  16.716   0.379   0.379
  723   1HB   ASN  92          2HB       ASN  92  18.629   0.271   0.271
  724   2HB   ASN  92          3HB       ASN  92  18.893   1.207   1.207
  725   1HD2  ASN  92          2HD2      ASN  92  19.378   2.962   2.962
  726   2HD2  ASN  92          1HD2      ASN  92  19.528   1.284   1.284
  727    H    ASP  93           HN       ASP  93  16.321   2.064   2.064
  728    HA   ASP  93           HA       ASP  93  15.619   1.352   1.352
  729   1HB   ASP  93          2HB       ASP  93  13.501   1.618   1.618
  730   2HB   ASP  93          3HB       ASP  93  13.502  -0.122  -0.122
  731    H    GLY  94           HN       GLY  94  17.724  -0.266  -0.266
  732   1HA   GLY  94          1HA       GLY  94  17.951  -2.355  -2.355
  733   2HA   GLY  94          2HA       GLY  94  16.808  -3.053  -3.053
  734    H    LEU  95           HN       LEU  95  17.576  -2.113  -2.113
  735    HA   LEU  95           HA       LEU  95  19.818  -3.713  -3.713
  736   1HB   LEU  95          2HB       LEU  95  18.203  -1.747  -1.747
  737   2HB   LEU  95          3HB       LEU  95  19.608  -2.547  -2.547
  738    HG   LEU  95           HG       LEU  95  17.108  -3.899  -3.899
  739   1HD1  LEU  95          2HD1      LEU  95  18.123  -3.275  -3.275
  740   2HD1  LEU  95          3HD1      LEU  95  17.022  -4.642  -4.642
  741   3HD1  LEU  95          1HD1      LEU  95  16.516  -2.987  -2.987
  742   1HD2  LEU  95          3HD2      LEU  95  19.782  -4.933  -4.933
  743   2HD2  LEU  95          1HD2      LEU  95  18.341  -5.722  -5.722
  744   3HD2  LEU  95          2HD2      LEU  95  18.616  -5.743  -5.743
  745    H    CYS  96           HN       CYS  96  21.820  -2.889  -2.889
  746    HA   CYS  96           HA       CYS  96  23.081  -1.011  -1.011
  747   1HB   CYS  96          2HB       CYS  96  25.062  -1.426  -1.426
  748   2HB   CYS  96          3HB       CYS  96  24.245  -2.952  -2.952
  749    HG   CYS  96           HG       CYS  96  22.959  -3.007  -3.007
  750    H    GLN  97           HN       GLN  97  21.420  -0.969  -0.969
  751    HA   GLN  97           HA       GLN  97  21.590   1.901   1.901
  752   1HB   GLN  97          2HB       GLN  97  22.667   0.202   0.202
  753   2HB   GLN  97          3HB       GLN  97  22.162   1.862   1.862
  754   1HG   GLN  97          2HG       GLN  97  23.735   2.421   2.421
  755   2HG   GLN  97          3HG       GLN  97  24.417   0.829   0.829
  756   1HE2  GLN  97          2HE2      GLN  97  26.080   1.566   1.566
  757   2HE2  GLN  97          1HE2      GLN  97  25.440   0.339   0.339
  758    H    LYS  98           HN       LYS  98  19.760   2.894   2.894
  759    HA   LYS  98           HA       LYS  98  17.453   1.371   1.371
  760   1HB   LYS  98          2HB       LYS  98  16.374   3.384   3.384
  761   2HB   LYS  98          3HB       LYS  98  17.593   3.811   3.811
  762   1HG   LYS  98          2HG       LYS  98  19.109   4.030   4.030
  763   2HG   LYS  98          3HG       LYS  98  17.539   4.349   4.349
  764   1HD   LYS  98          2HD       LYS  98  17.172   6.276   6.276
  765   2HD   LYS  98          3HD       LYS  98  18.353   5.785   5.785
  766   1HE   LYS  98          2HE       LYS  98  19.409   7.545   7.545
  767   2HE   LYS  98          3HE       LYS  98  20.154   6.068   6.068
  768   1HZ   LYS  98          2HZ       LYS  98  18.468   6.112   6.112
  769   2HZ   LYS  98          3HZ       LYS  98  18.042   7.613   7.613
  770   3HZ   LYS  98          1HZ       LYS  98  19.557   7.328   7.328
  771    H    LEU  99           HN       LEU  99  15.989   1.103   1.103
  772    HA   LEU  99           HA       LEU  99  17.564  -0.056  -0.056
  773   1HB   LEU  99          2HB       LEU  99  14.659  -0.121  -0.121
  774   2HB   LEU  99          3HB       LEU  99  15.207  -0.730  -0.730
  775    HG   LEU  99           HG       LEU  99  15.887  -1.764  -1.764
  776   1HD1  LEU  99          1HD1      LEU  99  13.763  -2.414  -2.414
  777   2HD1  LEU  99          2HD1      LEU  99  14.896  -3.390  -3.390
  778   3HD1  LEU  99          3HD1      LEU  99  14.735  -3.684  -3.684
  779   1HD2  LEU  99          3HD2      LEU  99  17.392  -2.096  -2.096
  780   2HD2  LEU  99          1HD2      LEU  99  17.980  -2.006  -2.006
  781   3HD2  LEU  99          2HD2      LEU  99  17.225  -3.502  -3.502
  782    H    SER 100           HN       SER 100  18.066   0.969   0.969
  783    HA   SER 100           HA       SER 100  16.780   3.507   3.507
  784   1HB   SER 100          2HB       SER 100  18.568   3.630   3.630
  785   2HB   SER 100          3HB       SER 100  19.132   3.665   3.665
  786    HG   SER 100           HG       SER 100  19.800   1.914   1.914
  787    H    VAL 101           HN       VAL 101  17.826   0.733   0.733
  788    HA   VAL 101           HA       VAL 101  15.202   0.875   0.875
  789    HB   VAL 101           HB       VAL 101  16.430   0.533   0.533
  790   1HG1  VAL 101          2HG1      VAL 101  15.355   2.696   2.696
  791   2HG1  VAL 101          3HG1      VAL 101  17.023   3.235   3.235
  792   3HG1  VAL 101          1HG1      VAL 101  16.510   2.838   2.838
  793   1HG2  VAL 101          1HG2      VAL 101  18.628  -0.055  -0.055
  794   2HG2  VAL 101          2HG2      VAL 101  18.738   1.392   1.392
  795   3HG2  VAL 101          3HG2      VAL 101  18.775   1.557   1.557
  796    HA   PRO 102           HA       PRO 102  15.494  -3.422  -3.422
  797   1HB   PRO 102          2HB       PRO 102  13.687  -4.242  -4.242
  798   2HB   PRO 102          3HB       PRO 102  13.223  -3.674  -3.674
  799   1HG   PRO 102          2HG       PRO 102  13.015  -2.279  -2.279
  800   2HG   PRO 102          3HG       PRO 102  12.191  -1.925  -1.925
  801   1HD   PRO 102          2HD       PRO 102  14.426  -0.509  -0.509
  802   2HD   PRO 102          3HD       PRO 102  13.676  -0.229  -0.229
  803    H    CYS 103           HN       CYS 103  16.310  -5.412  -5.412
  804    HA   CYS 103           HA       CYS 103  18.512  -5.152  -5.152
  805   1HB   CYS 103          2HB       CYS 103  17.400  -7.237  -7.237
  806   2HB   CYS 103          3HB       CYS 103  16.849  -7.616  -7.616
  807    HG   CYS 103           HG       CYS 103  18.853  -8.880  -8.880
  808    H    MET 104           HN       MET 104  18.945  -5.895  -5.895
  809    HA   MET 104           HA       MET 104  16.745  -4.963  -4.963
  810   1HB   MET 104          2HB       MET 104  18.544  -4.218  -4.218
  811   2HB   MET 104          3HB       MET 104  18.733  -3.459  -3.459
  812   1HG   MET 104          2HG       MET 104  20.792  -4.384  -4.384
  813   2HG   MET 104          3HG       MET 104  20.157  -5.996  -5.996
  814   1HE   MET 104          1HE       MET 104  20.908  -2.682  -2.682
  815   2HE   MET 104          2HE       MET 104  21.558  -3.054  -3.054
  816   3HE   MET 104          3HE       MET 104  19.806  -3.149  -3.149
  817    H    SER 105           HN       SER 105  16.529  -5.988  -5.988
  818    HA   SER 105           HA       SER 105  17.386  -8.755  -8.755
  819   1HB   SER 105          2HB       SER 105  15.535  -9.299  -9.299
  820   2HB   SER 105          3HB       SER 105  14.920  -8.117  -8.117
  821    HG   SER 105           HG       SER 105  14.794  -6.577  -6.577
  822    H    SER 106           HN       SER 106  18.914  -9.561  -9.561
  823    HA   SER 106           HA       SER 106  19.209  -8.379  -8.379
  824   1HB   SER 106          2HB       SER 106  20.559  -6.844  -6.844
  825   2HB   SER 106          3HB       SER 106  21.549  -8.210  -8.210
  826    HG   SER 106           HG       SER 106  21.220  -7.237  -7.237
  827    H    LYS 107           HN       LYS 107  19.845  -9.991  -9.991
  828    HA   LYS 107           HA       LYS 107  21.242 -12.291 -12.291
  829   1HB   LYS 107          2HB       LYS 107  19.823 -13.824 -13.824
  830   2HB   LYS 107          3HB       LYS 107  18.849 -12.833 -12.833
  831   1HG   LYS 107          2HG       LYS 107  18.153 -11.393 -11.393
  832   2HG   LYS 107          3HG       LYS 107  19.283 -12.168 -12.168
  833   1HD   LYS 107          2HD       LYS 107  18.053 -14.316 -14.316
  834   2HD   LYS 107          3HD       LYS 107  16.956 -13.599 -13.599
  835   1HE   LYS 107          2HE       LYS 107  17.303 -12.453 -12.453
  836   2HE   LYS 107          3HE       LYS 107  16.147 -13.724 -13.724
  837   1HZ   LYS 107          3HZ       LYS 107  15.493 -12.070 -12.070
  838   2HZ   LYS 107          1HZ       LYS 107  16.128 -10.965 -10.965
  839   3HZ   LYS 107          2HZ       LYS 107  14.889 -11.911 -11.911

  Start of MODEL   19
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   1.468  -0.570  -0.570
    3   1HB   MET   1          2HB       MET   1   2.410   2.095   2.095
    4   2HB   MET   1          3HB       MET   1   3.183   1.507   1.507
    5   1HG   MET   1          2HG       MET   1   0.949   1.276   1.276
    6   2HG   MET   1          3HG       MET   1   0.164   1.838   1.838
    7   1HE   MET   1          2HE       MET   1  -0.082   2.832   2.832
    8   2HE   MET   1          3HE       MET   1  -0.926   3.971   3.971
    9   3HE   MET   1          1HE       MET   1   0.239   4.578   4.578
   10    H    GLU   2           HN       GLU   2   3.907   0.592   0.592
   11    HA   GLU   2           HA       GLU   2   5.391  -1.793  -1.793
   12   1HB   GLU   2          2HB       GLU   2   6.000   0.205   0.205
   13   2HB   GLU   2          3HB       GLU   2   7.176   0.501   0.501
   14   1HG   GLU   2          2HG       GLU   2   8.398  -1.139  -1.139
   15   2HG   GLU   2          3HG       GLU   2   7.317  -2.249  -2.249
   16    H    THR   3           HN       THR   3   7.556  -1.595  -1.595
   17    HA   THR   3           HA       THR   3   6.930   0.087   0.087
   18    HB   THR   3           HB       THR   3   8.127  -1.809  -1.809
   19    HG1  THR   3           HG1      THR   3   8.377  -3.738  -3.738
   20   1HG2  THR   3          2HG2      THR   3   5.468  -1.879  -1.879
   21   2HG2  THR   3          3HG2      THR   3   6.149  -3.519  -3.519
   22   3HG2  THR   3          1HG2      THR   3   5.978  -2.513  -2.513
   23    H    GLU   4           HN       GLU   4   9.203  -0.004  -0.004
   24    HA   GLU   4           HA       GLU   4  10.809   1.764   1.764
   25   1HB   GLU   4          2HB       GLU   4  11.482   0.314   0.314
   26   2HB   GLU   4          3HB       GLU   4  12.217   1.795   1.795
   27   1HG   GLU   4          2HG       GLU   4   9.224   1.800   1.800
   28   2HG   GLU   4          3HG       GLU   4  10.117   1.755   1.755
   29    H    GLU   5           HN       GLU   5  12.216   1.228   1.228
   30    HA   GLU   5           HA       GLU   5  13.563  -1.345  -1.345
   31   1HB   GLU   5          2HB       GLU   5  12.173  -0.085  -0.085
   32   2HB   GLU   5          3HB       GLU   5  13.807  -0.549  -0.549
   33   1HG   GLU   5          2HG       GLU   5  13.341  -2.855  -2.855
   34   2HG   GLU   5          3HG       GLU   5  11.676  -2.367  -2.367
   35    H    TRP   6           HN       TRP   6  14.720   0.610   0.610
   36    HA   TRP   6           HA       TRP   6  16.617   2.064   2.064
   37   1HB   TRP   6          2HB       TRP   6  17.437   2.737   2.737
   38   2HB   TRP   6          3HB       TRP   6  15.913   3.363   3.363
   39    HD1  TRP   6           HD1      TRP   6  13.851   2.990   2.990
   40    HE1  TRP   6           HE1      TRP   6  13.279   1.621   1.621
   41    HE3  TRP   6           HE3      TRP   6  18.187   0.337   0.337
   42    HZ2  TRP   6           HZ2      TRP   6  14.673  -0.373  -0.373
   43    HZ3  TRP   6           HZ3      TRP   6  18.503  -1.301  -1.301
   44    HH2  TRP   6           HH2      TRP   6  16.832  -1.675  -1.675
   45    H    PHE   7           HN       PHE   7  16.240  -1.066  -1.066
   46    HA   PHE   7           HA       PHE   7  19.125  -1.423  -1.423
   47   1HB   PHE   7          2HB       PHE   7  17.863  -2.295  -2.295
   48   2HB   PHE   7          3HB       PHE   7  16.563  -2.856  -2.856
   49    HD1  PHE   7           HD1      PHE   7  16.763  -4.968  -4.968
   50    HD2  PHE   7           HD2      PHE   7  19.848  -3.638  -3.638
   51    HE1  PHE   7           HE1      PHE   7  17.756  -7.273  -7.273
   52    HE2  PHE   7           HE2      PHE   7  20.840  -5.944  -5.944
   53   1HZ   PHE   7           HZ       PHE   7  19.782  -7.734  -7.734
   54    H    PHE   8           HN       PHE   8  20.309  -2.496  -2.496
   55    HA   PHE   8           HA       PHE   8  18.770  -3.856  -3.856
   56   1HB   PHE   8          2HB       PHE   8  21.417  -2.324  -2.324
   57   2HB   PHE   8          3HB       PHE   8  21.124  -3.416  -3.416
   58    HD1  PHE   8           HD1      PHE   8  19.006  -3.003  -3.003
   59    HD2  PHE   8           HD2      PHE   8  20.631  -0.128  -0.128
   60    HE1  PHE   8           HE1      PHE   8  17.779  -1.182  -1.182
   61    HE2  PHE   8           HE2      PHE   8  19.405   1.693   1.693
   62   1HZ   PHE   8           HZ       PHE   8  17.994   1.145   1.145
   63    H    LYS   9           HN       LYS   9  19.625  -5.857  -5.857
   64    HA   LYS   9           HA       LYS   9  21.505  -7.169  -7.169
   65   1HB   LYS   9          2HB       LYS   9  20.275  -9.194  -9.194
   66   2HB   LYS   9          3HB       LYS   9  19.126  -7.932  -7.932
   67   1HG   LYS   9          2HG       LYS   9  19.477  -8.243  -8.243
   68   2HG   LYS   9          3HG       LYS   9  18.936  -9.725  -9.725
   69   1HD   LYS   9          2HD       LYS   9  16.837  -8.869  -8.869
   70   2HD   LYS   9          3HD       LYS   9  17.378  -7.709  -7.709
   71   1HE   LYS   9          2HE       LYS   9  17.129  -6.016  -6.016
   72   2HE   LYS   9          3HE       LYS   9  18.278  -6.772  -6.772
   73   1HZ   LYS   9          2HZ       LYS   9  16.352  -8.217  -8.217
   74   2HZ   LYS   9          3HZ       LYS   9  15.379  -7.157  -7.157
   75   3HZ   LYS   9          1HZ       LYS   9  16.297  -6.658  -6.658
   76    H    GLY  10           HN       GLY  10  22.823  -8.908  -8.908
   77   1HA   GLY  10          1HA       GLY  10  24.421  -9.355  -9.355
   78   2HA   GLY  10          2HA       GLY  10  23.038  -9.590  -9.590
   79    H    ILE  11           HN       ILE  11  24.221  -6.513  -6.513
   80    HA   ILE  11           HA       ILE  11  24.370  -5.412  -5.412
   81    HB   ILE  11           HB       ILE  11  23.106  -4.480  -4.480
   82   1HG1  ILE  11          2HG1      ILE  11  24.387  -2.733  -2.733
   83   2HG1  ILE  11          3HG1      ILE  11  22.948  -3.703  -3.703
   84   1HG2  ILE  11          3HG2      ILE  11  25.522  -4.193  -4.193
   85   2HG2  ILE  11          1HG2      ILE  11  25.522  -2.710  -2.710
   86   3HG2  ILE  11          2HG2      ILE  11  24.275  -2.950  -2.950
   87   1HD1  ILE  11          3HD1      ILE  11  22.807  -2.017  -2.017
   88   2HD1  ILE  11          1HD1      ILE  11  22.968  -1.088  -1.088
   89   3HD1  ILE  11          2HD1      ILE  11  21.617  -2.230  -2.230
   90    H    SER  12           HN       SER  12  26.221  -3.965  -3.965
   91    HA   SER  12           HA       SER  12  28.618  -5.053  -5.053
   92   1HB   SER  12          2HB       SER  12  29.730  -4.844  -4.844
   93   2HB   SER  12          3HB       SER  12  28.117  -5.332  -5.332
   94    HG   SER  12           HG       SER  12  29.052  -3.479  -3.479
   95    H    ARG  13           HN       ARG  13  30.555  -3.439  -3.439
   96    HA   ARG  13           HA       ARG  13  29.690  -1.140  -1.140
   97   1HB   ARG  13          2HB       ARG  13  31.794  -2.242  -2.242
   98   2HB   ARG  13          3HB       ARG  13  32.437  -2.037  -2.037
   99   1HG   ARG  13          2HG       ARG  13  31.547   0.487   0.487
  100   2HG   ARG  13          3HG       ARG  13  32.910  -0.304  -0.304
  101   1HD   ARG  13          2HD       ARG  13  34.029  -0.423  -0.423
  102   2HD   ARG  13          3HD       ARG  13  32.719   0.557   0.557
  103    HE   ARG  13           HE       ARG  13  33.659   2.435   2.435
  104   1HH1  ARG  13          2HH2      ARG  13  35.027  -0.473  -0.473
  105   2HH1  ARG  13          1HH2      ARG  13  36.200   0.388   0.388
  106   1HH2  ARG  13          2HH1      ARG  13  35.207   3.572   3.572
  107   2HH2  ARG  13          1HH1      ARG  13  36.303   2.704   2.704
  108    H    LYS  14           HN       LYS  14  30.647  -1.922  -1.922
  109    HA   LYS  14           HA       LYS  14  31.025   0.841   0.841
  110   1HB   LYS  14          2HB       LYS  14  31.224  -1.806  -1.806
  111   2HB   LYS  14          3HB       LYS  14  31.105  -0.332  -0.332
  112   1HG   LYS  14          2HG       LYS  14  33.051   0.609   0.609
  113   2HG   LYS  14          3HG       LYS  14  33.208  -0.945  -0.945
  114   1HD   LYS  14          2HD       LYS  14  33.203  -0.801  -0.801
  115   2HD   LYS  14          3HD       LYS  14  34.665  -0.413  -0.413
  116   1HE   LYS  14          2HE       LYS  14  34.553  -2.641  -2.641
  117   2HE   LYS  14          3HE       LYS  14  33.102  -3.029  -3.029
  118   1HZ   LYS  14          3HZ       LYS  14  35.502  -2.225  -2.225
  119   2HZ   LYS  14          1HZ       LYS  14  35.378  -3.754  -3.754
  120   3HZ   LYS  14          2HZ       LYS  14  34.274  -3.180  -3.180
  121    H    ASP  15           HN       ASP  15  28.487  -1.655  -1.655
  122    HA   ASP  15           HA       ASP  15  26.846  -0.295  -0.295
  123   1HB   ASP  15          2HB       ASP  15  26.471  -2.491  -2.491
  124   2HB   ASP  15          3HB       ASP  15  25.046  -1.769  -1.769
  125    H    ALA  16           HN       ALA  16  27.089  -0.505  -0.505
  126    HA   ALA  16           HA       ALA  16  24.834   1.072   1.072
  127   1HB   ALA  16          2HB       ALA  16  27.360   0.514   0.514
  128   2HB   ALA  16          3HB       ALA  16  25.862   1.218   1.218
  129   3HB   ALA  16          1HB       ALA  16  25.861  -0.445  -0.445
  130    H    GLU  17           HN       GLU  17  28.231   1.802   1.802
  131    HA   GLU  17           HA       GLU  17  28.000   4.513   4.513
  132   1HB   GLU  17          2HB       GLU  17  30.064   2.814   2.814
  133   2HB   GLU  17          3HB       GLU  17  30.193   4.554   4.554
  134   1HG   GLU  17          2HG       GLU  17  29.769   4.438   4.438
  135   2HG   GLU  17          3HG       GLU  17  30.493   2.857   2.857
  136    H    ARG  18           HN       ARG  18  26.995   2.643   2.643
  137    HA   ARG  18           HA       ARG  18  27.121   4.888   4.888
  138   1HB   ARG  18          2HB       ARG  18  27.456   2.320   2.320
  139   2HB   ARG  18          3HB       ARG  18  25.705   2.265   2.265
  140   1HG   ARG  18          2HG       ARG  18  26.606   4.584   4.584
  141   2HG   ARG  18          3HG       ARG  18  27.474   3.170   3.170
  142   1HD   ARG  18          2HD       ARG  18  25.419   1.990   1.990
  143   2HD   ARG  18          3HD       ARG  18  24.446   3.157   3.157
  144    HE   ARG  18           HE       ARG  18  25.720   4.701   4.701
  145   1HH1  ARG  18          1HH2      ARG  18  23.105   2.133   2.133
  146   2HH1  ARG  18          2HH2      ARG  18  23.739   1.794   1.794
  147   1HH2  ARG  18          2HH1      ARG  18  24.883   5.149   5.149
  148   2HH2  ARG  18          1HH1      ARG  18  23.760   4.054   4.054
  149    H    GLN  19           HN       GLN  19  24.769   2.975   2.975
  150    HA   GLN  19           HA       GLN  19  22.497   4.128   4.128
  151   1HB   GLN  19          2HB       GLN  19  22.916   2.687   2.687
  152   2HB   GLN  19          3HB       GLN  19  21.339   3.171   3.171
  153   1HG   GLN  19          2HG       GLN  19  22.001   1.876   1.876
  154   2HG   GLN  19          3HG       GLN  19  23.256   1.147   1.147
  155   1HE2  GLN  19          2HE2      GLN  19  21.214  -1.151  -1.151
  156   2HE2  GLN  19          1HE2      GLN  19  22.794  -0.548  -0.548
  157    H    LEU  20           HN       LEU  20  24.780   5.137   5.137
  158    HA   LEU  20           HA       LEU  20  22.961   7.101   7.101
  159   1HB   LEU  20          2HB       LEU  20  25.667   6.050   6.050
  160   2HB   LEU  20          3HB       LEU  20  25.311   7.695   7.695
  161    HG   LEU  20           HG       LEU  20  23.532   5.360   5.360
  162   1HD1  LEU  20          3HD1      LEU  20  26.053   6.336   6.336
  163   2HD1  LEU  20          1HD1      LEU  20  24.722   5.738   5.738
  164   3HD1  LEU  20          2HD1      LEU  20  25.444   4.678   4.678
  165   1HD2  LEU  20          3HD2      LEU  20  22.611   7.702   7.702
  166   2HD2  LEU  20          1HD2      LEU  20  22.569   6.810   6.810
  167   3HD2  LEU  20          2HD2      LEU  20  23.812   8.055   8.055
  168    H    LEU  21           HN       LEU  21  25.922   6.942   6.942
  169    HA   LEU  21           HA       LEU  21  26.024   9.763   9.763
  170   1HB   LEU  21          2HB       LEU  21  27.411   7.397   7.397
  171   2HB   LEU  21          3HB       LEU  21  27.570   8.971   8.971
  172    HG   LEU  21           HG       LEU  21  28.179   8.547   8.547
  173   1HD1  LEU  21          3HD1      LEU  21  29.559   7.315   7.315
  174   2HD1  LEU  21          1HD1      LEU  21  30.561   8.695   8.695
  175   3HD1  LEU  21          2HD1      LEU  21  30.069   7.467   7.467
  176   1HD2  LEU  21          2HD2      LEU  21  28.630  10.726  10.726
  177   2HD2  LEU  21          3HD2      LEU  21  28.070  10.817  10.817
  178   3HD2  LEU  21          1HD2      LEU  21  29.788  10.514  10.514
  179    H    ALA  22           HN       ALA  22  24.088   7.205   7.205
  180    HA   ALA  22           HA       ALA  22  23.651   8.067   8.067
  181   1HB   ALA  22          1HB       ALA  22  22.531   6.226   6.226
  182   2HB   ALA  22          2HB       ALA  22  21.190   7.145   7.145
  183   3HB   ALA  22          3HB       ALA  22  22.327   6.259   6.259
  184    HA   PRO  23           HA       PRO  23  21.250  11.652  11.652
  185   1HB   PRO  23          2HB       PRO  23  19.356  11.399  11.399
  186   2HB   PRO  23          3HB       PRO  23  21.015  11.856  11.856
  187   1HG   PRO  23          2HG       PRO  23  19.678   9.262   9.262
  188   2HG   PRO  23          3HG       PRO  23  21.169   9.871   9.871
  189   1HD   PRO  23          2HD       PRO  23  20.915   7.927   7.927
  190   2HD   PRO  23          3HD       PRO  23  22.404   8.622   8.622
  191    H    GLY  24           HN       GLY  24  19.246  12.772  12.772
  192   1HA   GLY  24          1HA       GLY  24  17.100  12.721  12.721
  193   2HA   GLY  24          2HA       GLY  24  17.160  10.973  10.973
  194    H    ASN  25           HN       ASN  25  19.984  11.199  11.199
  195    HA   ASN  25           HA       ASN  25  18.953  11.516  11.516
  196   1HB   ASN  25          2HB       ASN  25  21.528  10.378  10.378
  197   2HB   ASN  25          3HB       ASN  25  21.374  10.648  10.648
  198   1HD2  ASN  25          2HD2      ASN  25  19.860   7.359   7.359
  199   2HD2  ASN  25          1HD2      ASN  25  20.934   8.498   8.498
  200    H    MET  26           HN       MET  26  20.488  12.676  12.676
  201    HA   MET  26           HA       MET  26  22.285  14.568  14.568
  202   1HB   MET  26          2HB       MET  26  21.080  16.566  16.566
  203   2HB   MET  26          3HB       MET  26  19.899  15.569  15.569
  204   1HG   MET  26          2HG       MET  26  19.338  14.631  14.631
  205   2HG   MET  26          3HG       MET  26  20.200  16.036  16.036
  206   1HE   MET  26          1HE       MET  26  17.145  14.734  14.734
  207   2HE   MET  26          2HE       MET  26  17.174  16.101  16.101
  208   3HE   MET  26          3HE       MET  26  16.003  16.084  16.084
  209    H    LEU  27           HN       LEU  27  23.339  15.949  15.949
  210    HA   LEU  27           HA       LEU  27  24.449  14.443  14.443
  211   1HB   LEU  27          2HB       LEU  27  24.546  17.062  17.062
  212   2HB   LEU  27          3HB       LEU  27  23.884  17.201  17.201
  213    HG   LEU  27           HG       LEU  27  26.411  17.367  17.367
  214   1HD1  LEU  27          3HD1      LEU  27  25.169  16.989  16.989
  215   2HD1  LEU  27          1HD1      LEU  27  25.441  15.243  15.243
  216   3HD1  LEU  27          2HD1      LEU  27  26.828  16.342  16.342
  217   1HD2  LEU  27          3HD2      LEU  27  26.441  15.325  15.325
  218   2HD2  LEU  27          1HD2      LEU  27  27.736  15.487  15.487
  219   3HD2  LEU  27          2HD2      LEU  27  26.389  14.357  14.357
  220    H    GLY  28           HN       GLY  28  23.692  13.237  13.237
  221   1HA   GLY  28          1HA       GLY  28  22.559  13.508  13.508
  222   2HA   GLY  28          2HA       GLY  28  21.189  14.139  14.139
  223    H    SER  29           HN       SER  29  21.952  12.123  12.123
  224    HA   SER  29           HA       SER  29  20.096  10.206  10.206
  225   1HB   SER  29          2HB       SER  29  22.232  10.227  10.227
  226   2HB   SER  29          3HB       SER  29  21.014   8.973   8.973
  227    HG   SER  29           HG       SER  29  19.596  10.277  10.277
  228    H    PHE  30           HN       PHE  30  20.280   8.126   8.126
  229    HA   PHE  30           HA       PHE  30  22.965   7.096   7.096
  230   1HB   PHE  30          2HB       PHE  30  22.563   6.907   6.907
  231   2HB   PHE  30          3HB       PHE  30  22.069   8.537   8.537
  232    HD1  PHE  30           HD1      PHE  30  19.656   9.091   9.091
  233    HD2  PHE  30           HD2      PHE  30  20.977   5.296   5.296
  234    HE1  PHE  30           HE1      PHE  30  17.387   8.653   8.653
  235    HE2  PHE  30           HE2      PHE  30  18.708   4.858   4.858
  236   1HZ   PHE  30           HZ       PHE  30  16.940   6.541   6.541
  237    H    MET  31           HN       MET  31  22.971   4.779   4.779
  238    HA   MET  31           HA       MET  31  20.441   3.443   3.443
  239   1HB   MET  31          2HB       MET  31  21.209   2.027   2.027
  240   2HB   MET  31          3HB       MET  31  21.231   3.715   3.715
  241   1HG   MET  31          2HG       MET  31  23.563   3.829   3.829
  242   2HG   MET  31          3HG       MET  31  23.756   2.623   2.623
  243   1HE   MET  31          3HE       MET  31  21.519   2.671   2.671
  244   2HE   MET  31          1HE       MET  31  23.006   3.107   3.107
  245   3HE   MET  31          2HE       MET  31  22.256   1.514   1.514
  246    H    ILE  32           HN       ILE  32  20.724   0.992   0.992
  247    HA   ILE  32           HA       ILE  32  23.132   0.501   0.501
  248    HB   ILE  32           HB       ILE  32  20.254  -0.115  -0.115
  249   1HG1  ILE  32          2HG1      ILE  32  22.287   1.175   1.175
  250   2HG1  ILE  32          3HG1      ILE  32  21.459   2.123   2.123
  251   1HG2  ILE  32          1HG2      ILE  32  21.657  -2.131  -2.131
  252   2HG2  ILE  32          2HG2      ILE  32  22.694  -1.182  -1.182
  253   3HG2  ILE  32          3HG2      ILE  32  20.986  -1.463  -1.463
  254   1HD1  ILE  32          3HD1      ILE  32  20.090   0.432   0.432
  255   2HD1  ILE  32          1HD1      ILE  32  20.251   2.204   2.204
  256   3HD1  ILE  32          2HD1      ILE  32  19.258   1.415   1.415
  257    H    ARG  33           HN       ARG  33  24.013  -1.608  -1.608
  258    HA   ARG  33           HA       ARG  33  22.643  -3.501  -3.501
  259   1HB   ARG  33          2HB       ARG  33  24.528  -3.763  -3.763
  260   2HB   ARG  33          3HB       ARG  33  23.827  -2.160  -2.160
  261   1HG   ARG  33          2HG       ARG  33  25.795  -1.847  -1.847
  262   2HG   ARG  33          3HG       ARG  33  26.542  -2.974  -2.974
  263   1HD   ARG  33          2HD       ARG  33  25.794  -1.342  -1.342
  264   2HD   ARG  33          3HD       ARG  33  25.469  -0.189  -0.189
  265    HE   ARG  33           HE       ARG  33  27.780   0.080   0.080
  266   1HH1  ARG  33          2HH2      ARG  33  27.198  -2.767  -2.767
  267   2HH1  ARG  33          1HH2      ARG  33  28.870  -2.995  -2.995
  268   1HH2  ARG  33          2HH1      ARG  33  29.986  -0.220  -0.220
  269   2HH2  ARG  33          1HH1      ARG  33  30.467  -1.536  -1.536
  270    H    ASP  34           HN       ASP  34  23.528  -5.675  -5.675
  271    HA   ASP  34           HA       ASP  34  24.987  -5.911  -5.911
  272   1HB   ASP  34          2HB       ASP  34  24.452  -8.304  -8.304
  273   2HB   ASP  34          3HB       ASP  34  24.269  -8.129  -8.129
  274    H    SER  35           HN       SER  35  27.006  -7.287  -7.287
  275    HA   SER  35           HA       SER  35  28.846  -6.546  -6.546
  276   1HB   SER  35          2HB       SER  35  29.388  -7.018  -7.018
  277   2HB   SER  35          3HB       SER  35  29.064  -8.719  -8.719
  278    HG   SER  35           HG       SER  35  31.353  -7.296  -7.296
  279    H    GLU  36           HN       GLU  36  30.031  -7.883  -7.883
  280    HA   GLU  36           HA       GLU  36  28.424 -10.154 -10.154
  281   1HB   GLU  36          2HB       GLU  36  29.936  -9.742  -9.742
  282   2HB   GLU  36          3HB       GLU  36  28.494  -8.791  -8.791
  283   1HG   GLU  36          2HG       GLU  36  29.747  -6.920  -6.920
  284   2HG   GLU  36          3HG       GLU  36  31.190  -7.882  -7.882
  285    H    THR  37           HN       THR  37  31.259  -9.359  -9.359
  286    HA   THR  37           HA       THR  37  32.519 -11.903 -11.903
  287    HB   THR  37           HB       THR  37  34.608 -10.605 -10.605
  288    HG1  THR  37           HG1      THR  37  32.826  -8.459  -8.459
  289   1HG2  THR  37          3HG2      THR  37  33.231  -9.758  -9.758
  290   2HG2  THR  37          1HG2      THR  37  34.898  -9.311  -9.311
  291   3HG2  THR  37          2HG2      THR  37  34.473 -11.020 -11.020
  292    H    THR  38           HN       THR  38  32.536  -9.610  -9.610
  293    HA   THR  38           HA       THR  38  32.635 -11.936 -11.936
  294    HB   THR  38           HB       THR  38  33.003  -8.921  -8.921
  295    HG1  THR  38           HG1      THR  38  35.170  -9.767  -9.767
  296   1HG2  THR  38          1HG2      THR  38  32.330 -10.936 -10.936
  297   2HG2  THR  38          2HG2      THR  38  33.992 -10.346 -10.346
  298   3HG2  THR  38          3HG2      THR  38  32.633  -9.197  -9.197
  299    H    LYS  39           HN       LYS  39  30.416 -12.594 -12.594
  300    HA   LYS  39           HA       LYS  39  28.142 -11.185 -11.185
  301   1HB   LYS  39          2HB       LYS  39  27.112 -13.454 -13.454
  302   2HB   LYS  39          3HB       LYS  39  27.950 -13.314 -13.314
  303   1HG   LYS  39          2HG       LYS  39  29.675 -14.706 -14.706
  304   2HG   LYS  39          3HG       LYS  39  29.675 -14.118 -14.118
  305   1HD   LYS  39          2HD       LYS  39  27.245 -15.371 -15.371
  306   2HD   LYS  39          3HD       LYS  39  28.077 -16.337 -16.337
  307   1HE   LYS  39          2HE       LYS  39  28.682 -17.487 -17.487
  308   2HE   LYS  39          3HE       LYS  39  30.036 -16.383 -16.383
  309   1HZ   LYS  39          2HZ       LYS  39  27.724 -15.425 -15.425
  310   2HZ   LYS  39          3HZ       LYS  39  28.610 -16.587 -16.587
  311   3HZ   LYS  39          1HZ       LYS  39  29.311 -15.178 -15.178
  312    H    GLY  40           HN       GLY  40  26.493 -11.154 -11.154
  313   1HA   GLY  40          1HA       GLY  40  25.868 -11.152 -11.152
  314   2HA   GLY  40          2HA       GLY  40  27.499 -11.571 -11.571
  315    H    SER  41           HN       SER  41  28.358  -9.291  -9.291
  316    HA   SER  41           HA       SER  41  27.986  -7.178  -7.178
  317   1HB   SER  41          2HB       SER  41  30.213  -7.624  -7.624
  318   2HB   SER  41          3HB       SER  41  30.080  -6.190  -6.190
  319    HG   SER  41           HG       SER  41  29.877  -8.428  -8.428
  320    H    TYR  42           HN       TYR  42  27.339  -5.074  -5.074
  321    HA   TYR  42           HA       TYR  42  26.345  -5.040  -5.040
  322   1HB   TYR  42          2HB       TYR  42  25.487  -3.936  -3.936
  323   2HB   TYR  42          3HB       TYR  42  24.956  -3.094  -3.094
  324    HD1  TYR  42           HD1      TYR  42  25.198  -6.704  -6.704
  325    HD2  TYR  42           HD2      TYR  42  22.768  -3.571  -3.571
  326    HE1  TYR  42           HE1      TYR  42  23.252  -8.324  -8.324
  327    HE2  TYR  42           HE2      TYR  42  20.831  -5.202  -5.202
  328    HH   TYR  42           HH       TYR  42  20.617  -7.711  -7.711
  329    H    SER  43           HN       SER  43  26.389  -2.938  -2.938
  330    HA   SER  43           HA       SER  43  28.357  -1.122  -1.122
  331   1HB   SER  43          2HB       SER  43  28.372  -1.905  -1.905
  332   2HB   SER  43          3HB       SER  43  29.578  -0.971  -0.971
  333    HG   SER  43           HG       SER  43  29.026  -3.792  -3.792
  334    H    LEU  44           HN       LEU  44  27.563   0.953   0.953
  335    HA   LEU  44           HA       LEU  44  25.202   1.454   1.454
  336   1HB   LEU  44          2HB       LEU  44  24.813   1.991   1.991
  337   2HB   LEU  44          3HB       LEU  44  26.403   2.692   2.692
  338    HG   LEU  44           HG       LEU  44  25.628   4.524   4.524
  339   1HD1  LEU  44          3HD1      LEU  44  23.239   2.888   2.888
  340   2HD1  LEU  44          1HD1      LEU  44  22.913   4.562   4.562
  341   3HD1  LEU  44          2HD1      LEU  44  23.634   4.244   4.244
  342   1HD2  LEU  44          3HD2      LEU  44  24.948   4.149   4.149
  343   2HD2  LEU  44          1HD2      LEU  44  25.920   5.406   5.406
  344   3HD2  LEU  44          2HD2      LEU  44  24.143   5.493   5.493
  345    H    SER  45           HN       SER  45  25.131   2.936   2.936
  346    HA   SER  45           HA       SER  45  27.686   4.232   4.232
  347   1HB   SER  45          2HB       SER  45  25.733   3.578   3.578
  348   2HB   SER  45          3HB       SER  45  27.474   3.765   3.765
  349    HG   SER  45           HG       SER  45  26.189   1.588   1.588
  350    H    VAL  46           HN       VAL  46  27.589   6.452   6.452
  351    HA   VAL  46           HA       VAL  46  24.969   7.651   7.651
  352    HB   VAL  46           HB       VAL  46  26.932   8.735   8.735
  353   1HG1  VAL  46          2HG1      VAL  46  24.045   9.296   9.296
  354   2HG1  VAL  46          3HG1      VAL  46  24.759   9.804   9.804
  355   3HG1  VAL  46          1HG1      VAL  46  25.427  10.417  10.417
  356   1HG2  VAL  46          3HG2      VAL  46  26.245   6.466   6.466
  357   2HG2  VAL  46          1HG2      VAL  46  25.605   7.734   7.734
  358   3HG2  VAL  46          2HG2      VAL  46  24.539   6.959   6.959
  359    H    ARG  47           HN       ARG  47  25.098   9.836   9.836
  360    HA   ARG  47           HA       ARG  47  27.380   9.965   9.965
  361   1HB   ARG  47          2HB       ARG  47  24.986  10.311  10.311
  362   2HB   ARG  47          3HB       ARG  47  24.934  11.800  11.800
  363   1HG   ARG  47          2HG       ARG  47  26.201  12.943  12.943
  364   2HG   ARG  47          3HG       ARG  47  27.316  11.610  11.610
  365   1HD   ARG  47          2HD       ARG  47  25.887  10.527  10.527
  366   2HD   ARG  47          3HD       ARG  47  24.499  11.494  11.494
  367    HE   ARG  47           HE       ARG  47  26.511  13.294  13.294
  368   1HH1  ARG  47          2HH2      ARG  47  24.501  10.728  10.728
  369   2HH1  ARG  47          1HH2      ARG  47  24.486  11.392  11.392
  370   1HH2  ARG  47          2HH1      ARG  47  26.492  14.170  14.170
  371   2HH2  ARG  47          1HH1      ARG  47  25.627  13.363  13.363
  372    H    ASP  48           HN       ASP  48  28.888  11.723  11.723
  373    HA   ASP  48           HA       ASP  48  28.493  13.844  13.844
  374   1HB   ASP  48          2HB       ASP  48  29.745  12.250  12.250
  375   2HB   ASP  48          3HB       ASP  48  30.844  11.906  11.906
  376    H    TYR  49           HN       TYR  49  30.251  15.602  15.602
  377    HA   TYR  49           HA       TYR  49  31.431  15.381  15.381
  378   1HB   TYR  49          2HB       TYR  49  29.166  16.701  16.701
  379   2HB   TYR  49          3HB       TYR  49  30.062  17.835  17.835
  380    HD1  TYR  49           HD1      TYR  49  32.083  19.030  19.030
  381    HD2  TYR  49           HD2      TYR  49  29.153  16.905  16.905
  382    HE1  TYR  49           HE1      TYR  49  32.782  20.296  20.296
  383    HE2  TYR  49           HE2      TYR  49  29.862  18.178  18.178
  384    HH   TYR  49           HH       TYR  49  31.495  19.431  19.431
  385    H    ASP  50           HN       ASP  50  33.275  16.826  16.826
  386    HA   ASP  50           HA       ASP  50  34.355  17.873  17.873
  387   1HB   ASP  50          2HB       ASP  50  35.969  16.368  16.368
  388   2HB   ASP  50          3HB       ASP  50  36.589  17.015  17.015
  389    HA   PRO  51           HA       PRO  51  35.183  21.236  21.236
  390   1HB   PRO  51          2HB       PRO  51  36.884  22.709  22.709
  391   2HB   PRO  51          3HB       PRO  51  35.142  22.745  22.745
  392   1HG   PRO  51          2HG       PRO  51  37.163  21.416  21.416
  393   2HG   PRO  51          3HG       PRO  51  35.502  21.823  21.823
  394   1HD   PRO  51          2HD       PRO  51  36.523  19.226  19.226
  395   2HD   PRO  51          3HD       PRO  51  34.845  19.655  19.655
  396    H    ARG  52           HN       ARG  52  37.303  18.841  18.841
  397    HA   ARG  52           HA       ARG  52  39.304  20.119  20.119
  398   1HB   ARG  52          2HB       ARG  52  39.428  18.011  18.011
  399   2HB   ARG  52          3HB       ARG  52  40.616  17.922  17.922
  400   1HG   ARG  52          2HG       ARG  52  41.779  19.697  19.697
  401   2HG   ARG  52          3HG       ARG  52  40.334  20.679  20.679
  402   1HD   ARG  52          2HD       ARG  52  40.182  20.314  20.314
  403   2HD   ARG  52          3HD       ARG  52  40.308  18.578  18.578
  404    HE   ARG  52           HE       ARG  52  42.414  20.310  20.310
  405   1HH1  ARG  52          2HH2      ARG  52  41.893  17.581  17.581
  406   2HH1  ARG  52          1HH2      ARG  52  43.520  17.002  17.002
  407   1HH2  ARG  52          2HH1      ARG  52  44.561  19.547  19.547
  408   2HH2  ARG  52          1HH1      ARG  52  45.048  18.128  18.128
  409    H    GLN  53           HN       GLN  53  37.780  16.879  16.879
  410    HA   GLN  53           HA       GLN  53  38.533  15.958  15.958
  411   1HB   GLN  53          2HB       GLN  53  36.875  14.724  14.724
  412   2HB   GLN  53          3HB       GLN  53  37.209  13.896  13.896
  413   1HG   GLN  53          2HG       GLN  53  39.661  15.026  15.026
  414   2HG   GLN  53          3HG       GLN  53  38.857  13.952  13.952
  415   1HE2  GLN  53          2HE2      GLN  53  40.972  11.630  11.630
  416   2HE2  GLN  53          1HE2      GLN  53  40.933  12.799  12.799
  417    H    GLY  54           HN       GLY  54  35.323  16.203  16.203
  418   1HA   GLY  54          1HA       GLY  54  33.722  17.688  17.688
  419   2HA   GLY  54          2HA       GLY  54  34.083  16.666  16.666
  420    H    ASP  55           HN       ASP  55  32.198  15.524  15.524
  421    HA   ASP  55           HA       ASP  55  30.510  14.742  14.742
  422   1HB   ASP  55          2HB       ASP  55  30.883  13.703  13.703
  423   2HB   ASP  55          3HB       ASP  55  29.579  13.161  13.161
  424    H    THR  56           HN       THR  56  31.041  13.211  13.211
  425    HA   THR  56           HA       THR  56  32.448  10.795  10.795
  426    HB   THR  56           HB       THR  56  33.913  10.924  10.924
  427    HG1  THR  56           HG1      THR  56  32.429  11.557  11.557
  428   1HG2  THR  56          2HG2      THR  56  33.838  13.115  13.115
  429   2HG2  THR  56          3HG2      THR  56  33.835  13.867  13.867
  430   3HG2  THR  56          1HG2      THR  56  35.145  12.753  12.753
  431    H    VAL  57           HN       VAL  57  32.250   9.003   9.003
  432    HA   VAL  57           HA       VAL  57  29.618   9.170   9.170
  433    HB   VAL  57           HB       VAL  57  30.520   6.791   6.791
  434   1HG1  VAL  57          2HG1      VAL  57  28.858   6.403   6.403
  435   2HG1  VAL  57          3HG1      VAL  57  27.776   7.585   7.585
  436   3HG1  VAL  57          1HG1      VAL  57  28.206   6.081   6.081
  437   1HG2  VAL  57          1HG2      VAL  57  30.266   8.761   8.761
  438   2HG2  VAL  57          2HG2      VAL  57  29.032   7.515   7.515
  439   3HG2  VAL  57          3HG2      VAL  57  28.608   8.983   8.983
  440    H    LYS  58           HN       LYS  58  29.828   8.686   8.686
  441    HA   LYS  58           HA       LYS  58  32.249   7.308   7.308
  442   1HB   LYS  58          2HB       LYS  58  30.179   8.997   8.997
  443   2HB   LYS  58          3HB       LYS  58  31.234   7.954   7.954
  444   1HG   LYS  58          2HG       LYS  58  32.362   9.858   9.858
  445   2HG   LYS  58          3HG       LYS  58  32.012  10.409  10.409
  446   1HD   LYS  58          2HD       LYS  58  33.723   7.941   7.941
  447   2HD   LYS  58          3HD       LYS  58  34.421   9.549   9.549
  448   1HE   LYS  58          2HE       LYS  58  34.392   9.642   9.642
  449   2HE   LYS  58          3HE       LYS  58  32.695   9.210   9.210
  450   1HZ   LYS  58          1HZ       LYS  58  33.803   6.892   6.892
  451   2HZ   LYS  58          2HZ       LYS  58  35.000   7.531   7.531
  452   3HZ   LYS  58          3HZ       LYS  58  33.504   7.353   7.353
  453    H    HIS  59           HN       HIS  59  32.188   5.450   5.450
  454    HA   HIS  59           HA       HIS  59  29.630   4.060   4.060
  455   1HB   HIS  59          2HB       HIS  59  32.207   2.745   2.745
  456   2HB   HIS  59          3HB       HIS  59  30.629   1.993   1.993
  457    HD1  HIS  59           HD1      HIS  59  29.480   1.787   1.787
  458    HD2  HIS  59           HD2      HIS  59  32.009   5.131   5.131
  459    HE1  HIS  59           HE1      HIS  59  29.345   2.879   2.879
  460    H    TYR  60           HN       TYR  60  29.217   3.855   3.855
  461    HA   TYR  60           HA       TYR  60  31.476   3.503   3.503
  462   1HB   TYR  60          2HB       TYR  60  28.438   3.832   3.832
  463   2HB   TYR  60          3HB       TYR  60  29.636   3.967   3.967
  464    HD1  TYR  60           HD1      TYR  60  31.383   5.863   5.863
  465    HD2  TYR  60           HD2      TYR  60  27.786   5.728   5.728
  466    HE1  TYR  60           HE1      TYR  60  31.569   8.359   8.359
  467    HE2  TYR  60           HE2      TYR  60  27.984   8.224   8.224
  468    HH   TYR  60           HH       TYR  60  30.371   9.875   9.875
  469    H    LYS  61           HN       LYS  61  31.226   1.894   1.894
  470    HA   LYS  61           HA       LYS  61  30.169  -0.588  -0.588
  471   1HB   LYS  61          2HB       LYS  61  31.697  -1.726  -1.726
  472   2HB   LYS  61          3HB       LYS  61  32.569  -0.516  -0.516
  473   1HG   LYS  61          2HG       LYS  61  33.299   0.402   0.402
  474   2HG   LYS  61          3HG       LYS  61  31.646   0.823   0.823
  475   1HD   LYS  61          2HD       LYS  61  32.121  -0.527  -0.527
  476   2HD   LYS  61          3HD       LYS  61  31.522  -1.759  -1.759
  477   1HE   LYS  61          2HE       LYS  61  33.544  -2.723  -2.723
  478   2HE   LYS  61          3HE       LYS  61  34.045  -1.926  -1.926
  479   1HZ   LYS  61          2HZ       LYS  61  34.248  -0.686  -0.686
  480   2HZ   LYS  61          3HZ       LYS  61  35.475  -1.479  -1.479
  481   3HZ   LYS  61          1HZ       LYS  61  34.872  -0.115  -0.115
  482    H    ILE  62           HN       ILE  62  28.875  -2.021  -2.021
  483    HA   ILE  62           HA       ILE  62  27.658  -0.678  -0.678
  484    HB   ILE  62           HB       ILE  62  26.284  -2.035  -2.035
  485   1HG1  ILE  62          2HG1      ILE  62  25.622   0.653   0.653
  486   2HG1  ILE  62          3HG1      ILE  62  26.950   0.489   0.489
  487   1HG2  ILE  62          3HG2      ILE  62  25.500  -1.951  -1.951
  488   2HG2  ILE  62          1HG2      ILE  62  24.302  -1.179  -1.179
  489   3HG2  ILE  62          2HG2      ILE  62  24.803  -2.861  -2.861
  490   1HD1  ILE  62          1HD1      ILE  62  24.482  -0.910  -0.910
  491   2HD1  ILE  62          2HD1      ILE  62  24.305   0.855   0.855
  492   3HD1  ILE  62          3HD1      ILE  62  25.557   0.174   0.174
  493    H    ARG  63           HN       ARG  63  28.470  -1.836  -1.836
  494    HA   ARG  63           HA       ARG  63  28.731  -4.683  -4.683
  495   1HB   ARG  63          2HB       ARG  63  29.739  -2.686  -2.686
  496   2HB   ARG  63          3HB       ARG  63  29.725  -4.392  -4.392
  497   1HG   ARG  63          2HG       ARG  63  30.920  -3.555  -3.555
  498   2HG   ARG  63          3HG       ARG  63  31.845  -3.258  -3.258
  499   1HD   ARG  63          2HD       ARG  63  30.982  -5.880  -5.880
  500   2HD   ARG  63          3HD       ARG  63  31.220  -5.832  -5.832
  501    HE   ARG  63           HE       ARG  63  33.498  -4.595  -4.595
  502   1HH1  ARG  63          2HH2      ARG  63  31.946  -7.734  -7.734
  503   2HH1  ARG  63          1HH2      ARG  63  33.426  -8.570  -8.570
  504   1HH2  ARG  63          2HH1      ARG  63  35.450  -5.699  -5.699
  505   2HH2  ARG  63          1HH1      ARG  63  35.433  -7.405  -7.405
  506    H    THR  64           HN       THR  64  27.825  -6.209  -6.209
  507    HA   THR  64           HA       THR  64  25.440  -5.089  -5.089
  508    HB   THR  64           HB       THR  64  24.537  -7.462  -7.462
  509    HG1  THR  64           HG1      THR  64  26.630  -8.451  -8.451
  510   1HG2  THR  64          3HG2      THR  64  24.324  -5.383  -5.383
  511   2HG2  THR  64          1HG2      THR  64  25.418  -6.372  -6.372
  512   3HG2  THR  64          2HG2      THR  64  23.830  -7.014  -7.014
  513    H    LEU  65           HN       LEU  65  24.773  -6.092  -6.092
  514    HA   LEU  65           HA       LEU  65  27.103  -6.664  -6.664
  515   1HB   LEU  65          2HB       LEU  65  24.191  -6.189  -6.189
  516   2HB   LEU  65          3HB       LEU  65  25.338  -6.685  -6.685
  517    HG   LEU  65           HG       LEU  65  25.926  -4.261  -4.261
  518   1HD1  LEU  65          3HD1      LEU  65  23.568  -4.080  -4.080
  519   2HD1  LEU  65          1HD1      LEU  65  24.216  -4.167  -4.167
  520   3HD1  LEU  65          2HD1      LEU  65  24.676  -2.817  -2.817
  521   1HD2  LEU  65          1HD2      LEU  65  27.378  -5.529  -5.529
  522   2HD2  LEU  65          2HD2      LEU  65  27.498  -3.789  -3.789
  523   3HD2  LEU  65          3HD2      LEU  65  26.496  -4.353  -4.353
  524    H    ASP  66           HN       ASP  66  26.473  -8.454  -8.454
  525    HA   ASP  66           HA       ASP  66  26.131 -10.842 -10.842
  526   1HB   ASP  66          2HB       ASP  66  27.309 -10.224 -10.224
  527   2HB   ASP  66          3HB       ASP  66  26.859 -11.873 -11.873
  528    H    ASN  67           HN       ASN  67  23.929  -8.924  -8.924
  529    HA   ASN  67           HA       ASN  67  22.402 -10.995 -10.995
  530   1HB   ASN  67          2HB       ASN  67  21.287  -9.108  -9.108
  531   2HB   ASN  67          3HB       ASN  67  22.945  -9.453  -9.453
  532   1HD2  ASN  67          2HD2      ASN  67  24.278  -6.364  -6.364
  533   2HD2  ASN  67          1HD2      ASN  67  24.519  -7.976  -7.976
  534    H    GLY  68           HN       GLY  68  22.457  -7.795  -7.795
  535   1HA   GLY  68          1HA       GLY  68  20.957  -8.248  -8.248
  536   2HA   GLY  68          2HA       GLY  68  19.709  -8.139  -8.139
  537    H    GLY  69           HN       GLY  69  21.442  -6.366  -6.366
  538   1HA   GLY  69          1HA       GLY  69  20.394  -3.983  -3.983
  539   2HA   GLY  69          2HA       GLY  69  21.464  -3.879  -3.879
  540    H    PHE  70           HN       PHE  70  21.536  -2.347  -2.347
  541    HA   PHE  70           HA       PHE  70  24.197  -3.212  -3.212
  542   1HB   PHE  70          2HB       PHE  70  22.013  -1.653  -1.653
  543   2HB   PHE  70          3HB       PHE  70  23.511  -2.236  -2.236
  544    HD1  PHE  70           HD2      PHE  70  20.517  -3.565  -3.565
  545    HD2  PHE  70           HD1      PHE  70  23.448  -4.201  -4.201
  546    HE1  PHE  70           HE2      PHE  70  19.377  -5.702  -5.702
  547    HE2  PHE  70           HE1      PHE  70  22.308  -6.338  -6.338
  548   1HZ   PHE  70           HZ       PHE  70  20.286  -7.063  -7.063
  549    H    TYR  71           HN       TYR  71  25.831  -1.737  -1.737
  550    HA   TYR  71           HA       TYR  71  25.060   1.071   1.071
  551   1HB   TYR  71          2HB       TYR  71  26.615   1.137   1.137
  552   2HB   TYR  71          3HB       TYR  71  25.465  -0.157  -0.157
  553    HD1  TYR  71           HD2      TYR  71  26.222  -2.554  -2.554
  554    HD2  TYR  71           HD1      TYR  71  28.900   0.702   0.702
  555    HE1  TYR  71           HE2      TYR  71  28.144  -4.191  -4.191
  556    HE2  TYR  71           HE1      TYR  71  30.814  -0.946  -0.946
  557    HH   TYR  71           HH       TYR  71  30.819  -3.578  -3.578
  558    H    ILE  72           HN       ILE  72  26.591   2.589   2.589
  559    HA   ILE  72           HA       ILE  72  28.659   1.373   1.373
  560    HB   ILE  72           HB       ILE  72  27.300   4.066   4.066
  561   1HG1  ILE  72          2HG1      ILE  72  27.186   1.776   1.776
  562   2HG1  ILE  72          3HG1      ILE  72  25.993   2.022   2.022
  563   1HG2  ILE  72          3HG2      ILE  72  29.809   3.900   3.900
  564   2HG2  ILE  72          1HG2      ILE  72  29.185   3.045   3.045
  565   3HG2  ILE  72          2HG2      ILE  72  28.655   4.709   4.709
  566   1HD1  ILE  72          1HD1      ILE  72  26.710   4.305   4.305
  567   2HD1  ILE  72          2HD1      ILE  72  25.555   3.050   3.050
  568   3HD1  ILE  72          3HD1      ILE  72  25.210   4.045   4.045
  569    H    SER  73           HN       SER  73  28.041   3.977   3.977
  570    HA   SER  73           HA       SER  73  30.925   3.971   3.971
  571   1HB   SER  73          2HB       SER  73  30.290   6.136   6.136
  572   2HB   SER  73          3HB       SER  73  28.899   6.232   6.232
  573    HG   SER  73           HG       SER  73  30.135   6.919   6.919
  574    HA   PRO  74           HA       PRO  74  29.931   2.799   2.799
  575   1HB   PRO  74          2HB       PRO  74  32.214   3.504   3.504
  576   2HB   PRO  74          3HB       PRO  74  32.068   2.034   2.034
  577   1HG   PRO  74          2HG       PRO  74  33.491   4.536   4.536
  578   2HG   PRO  74          3HG       PRO  74  33.678   2.942   2.942
  579   1HD   PRO  74          2HD       PRO  74  32.291   5.174   5.174
  580   2HD   PRO  74          3HD       PRO  74  32.380   3.548   3.548
  581    H    ARG  75           HN       ARG  75  28.394   4.845   4.845
  582    HA   ARG  75           HA       ARG  75  28.718   6.367   6.367
  583   1HB   ARG  75          2HB       ARG  75  28.029   7.556   7.556
  584   2HB   ARG  75          3HB       ARG  75  27.979   8.447   8.447
  585   1HG   ARG  75          2HG       ARG  75  30.535   6.996   6.996
  586   2HG   ARG  75          3HG       ARG  75  30.166   8.413   8.413
  587   1HD   ARG  75          2HD       ARG  75  29.593   9.277   9.277
  588   2HD   ARG  75          3HD       ARG  75  30.980   8.234   8.234
  589    HE   ARG  75           HE       ARG  75  31.011  10.832  10.832
  590   1HH1  ARG  75          2HH2      ARG  75  32.479   7.646   7.646
  591   2HH1  ARG  75          1HH2      ARG  75  33.934   8.239   8.239
  592   1HH2  ARG  75          2HH1      ARG  75  32.930  11.615  11.615
  593   2HH2  ARG  75          1HH1      ARG  75  34.192  10.512  10.512
  594    H    SER  76           HN       SER  76  26.526   6.059   6.059
  595    HA   SER  76           HA       SER  76  24.368   5.576   5.576
  596   1HB   SER  76          2HB       SER  76  24.452   7.359   7.359
  597   2HB   SER  76          3HB       SER  76  22.929   6.651   6.651
  598    HG   SER  76           HG       SER  76  22.795   8.069   8.069
  599    H    THR  77           HN       THR  77  23.735   3.462   3.462
  600    HA   THR  77           HA       THR  77  24.009   2.232   2.232
  601    HB   THR  77           HB       THR  77  24.101   0.136   0.136
  602    HG1  THR  77           HG1      THR  77  22.604   0.367   0.367
  603   1HG2  THR  77          3HG2      THR  77  26.066   1.978   1.978
  604   2HG2  THR  77          1HG2      THR  77  25.482   1.888   1.888
  605   3HG2  THR  77          2HG2      THR  77  26.078   0.422   0.422
  606    H    PHE  78           HN       PHE  78  22.278   0.537   0.537
  607    HA   PHE  78           HA       PHE  78  19.672   1.383   1.383
  608   1HB   PHE  78          2HB       PHE  78  20.366   0.989   0.989
  609   2HB   PHE  78          3HB       PHE  78  18.884   1.667   1.667
  610    HD1  PHE  78           HD2      PHE  78  22.542   2.317   2.317
  611    HD2  PHE  78           HD1      PHE  78  18.659   3.976   3.976
  612    HE1  PHE  78           HE2      PHE  78  23.505   4.625   4.625
  613    HE2  PHE  78           HE1      PHE  78  19.622   6.284   6.284
  614   1HZ   PHE  78           HZ       PHE  78  22.033   6.581   6.581
  615    H    SER  79           HN       SER  79  18.135  -0.278  -0.278
  616    HA   SER  79           HA       SER  79  19.218  -2.879  -2.879
  617   1HB   SER  79          2HB       SER  79  16.551  -1.694  -1.694
  618   2HB   SER  79          3HB       SER  79  16.640  -3.413  -3.413
  619    HG   SER  79           HG       SER  79  18.295  -1.985  -1.985
  620    H    THR  80           HN       THR  80  17.359  -0.709  -0.709
  621    HA   THR  80           HA       THR  80  17.203  -2.858  -2.858
  622    HB   THR  80           HB       THR  80  14.967  -1.924  -1.924
  623    HG1  THR  80           HG1      THR  80  14.320  -0.063  -0.063
  624   1HG2  THR  80          1HG2      THR  80  15.531  -3.111  -3.111
  625   2HG2  THR  80          2HG2      THR  80  14.043  -2.136  -2.136
  626   3HG2  THR  80          3HG2      THR  80  14.233  -3.500  -3.500
  627    H    LEU  81           HN       LEU  81  17.146  -2.076  -2.076
  628    HA   LEU  81           HA       LEU  81  19.022   0.096   0.096
  629   1HB   LEU  81          2HB       LEU  81  17.859  -1.963  -1.963
  630   2HB   LEU  81          3HB       LEU  81  18.728  -0.580  -0.580
  631    HG   LEU  81           HG       LEU  81  20.010  -2.286  -2.286
  632   1HD1  LEU  81          3HD1      LEU  81  19.883  -2.958  -2.958
  633   2HD1  LEU  81          1HD1      LEU  81  20.988  -3.708  -3.708
  634   3HD1  LEU  81          2HD1      LEU  81  19.228  -3.916  -3.916
  635   1HD2  LEU  81          2HD2      LEU  81  21.028  -0.131  -0.131
  636   2HD2  LEU  81          3HD2      LEU  81  22.066  -1.544  -1.544
  637   3HD2  LEU  81          1HD2      LEU  81  21.185  -0.780  -0.780
  638    H    GLN  82           HN       GLN  82  15.580  -0.388  -0.388
  639    HA   GLN  82           HA       GLN  82  15.015   1.707   1.707
  640   1HB   GLN  82          2HB       GLN  82  13.501  -0.267  -0.267
  641   2HB   GLN  82          3HB       GLN  82  13.166   0.590   0.590
  642   1HG   GLN  82          2HG       GLN  82  11.616   1.857   1.857
  643   2HG   GLN  82          3HG       GLN  82  12.846   2.483   2.483
  644   1HE2  GLN  82          2HE2      GLN  82  10.769   1.136   1.136
  645   2HE2  GLN  82          1HE2      GLN  82  11.209   2.548   2.548
  646    H    GLU  83           HN       GLU  83  15.731   1.457   1.457
  647    HA   GLU  83           HA       GLU  83  14.685   4.067   4.067
  648   1HB   GLU  83          2HB       GLU  83  16.270   2.106   2.106
  649   2HB   GLU  83          3HB       GLU  83  15.657   3.639   3.639
  650   1HG   GLU  83          2HG       GLU  83  13.616   1.987   1.987
  651   2HG   GLU  83          3HG       GLU  83  14.262   1.239   1.239
  652    H    LEU  84           HN       LEU  84  17.693   2.581   2.581
  653    HA   LEU  84           HA       LEU  84  19.319   4.787   4.787
  654   1HB   LEU  84          2HB       LEU  84  20.295   2.630   2.630
  655   2HB   LEU  84          3HB       LEU  84  19.834   2.280   2.280
  656    HG   LEU  84           HG       LEU  84  21.775   4.491   4.491
  657   1HD1  LEU  84          3HD1      LEU  84  22.184   1.605   1.605
  658   2HD1  LEU  84          1HD1      LEU  84  23.298   2.405   2.405
  659   3HD1  LEU  84          2HD1      LEU  84  23.216   2.942   2.942
  660   1HD2  LEU  84          3HD2      LEU  84  20.619   3.429   3.429
  661   2HD2  LEU  84          1HD2      LEU  84  21.530   4.932   4.932
  662   3HD2  LEU  84          2HD2      LEU  84  22.399   3.411   3.411
  663    H    VAL  85           HN       VAL  85  17.493   3.772   3.772
  664    HA   VAL  85           HA       VAL  85  18.823   5.638   5.638
  665    HB   VAL  85           HB       VAL  85  16.513   3.736   3.736
  666   1HG1  VAL  85          2HG1      VAL  85  16.936   6.171   6.171
  667   2HG1  VAL  85          3HG1      VAL  85  16.700   4.670   4.670
  668   3HG1  VAL  85          1HG1      VAL  85  15.470   5.193   5.193
  669   1HG2  VAL  85          2HG2      VAL  85  19.310   3.889   3.889
  670   2HG2  VAL  85          3HG2      VAL  85  18.276   2.474   2.474
  671   3HG2  VAL  85          1HG2      VAL  85  18.159   3.342   3.342
  672    H    ASP  86           HN       ASP  86  15.960   5.534   5.534
  673    HA   ASP  86           HA       ASP  86  14.793   7.841   7.841
  674   1HB   ASP  86          2HB       ASP  86  14.453   6.250   6.250
  675   2HB   ASP  86          3HB       ASP  86  13.644   7.796   7.796
  676    H    HIS  87           HN       HIS  87  16.975   7.064   7.064
  677    HA   HIS  87           HA       HIS  87  16.943   9.629   9.629
  678   1HB   HIS  87          2HB       HIS  87  17.615   7.560   7.560
  679   2HB   HIS  87          3HB       HIS  87  19.048   7.453   7.453
  680    HD1  HIS  87           HD1      HIS  87  17.505   9.626   9.626
  681    HD2  HIS  87           HD2      HIS  87  21.197   9.019   9.019
  682    HE1  HIS  87           HE1      HIS  87  19.222  10.964  10.964
  683    H    TYR  88           HN       TYR  88  18.836   8.086   8.086
  684    HA   TYR  88           HA       TYR  88  20.735  10.213  10.213
  685   1HB   TYR  88          2HB       TYR  88  19.811   7.783   7.783
  686   2HB   TYR  88          3HB       TYR  88  20.939   8.901   8.901
  687    HD1  TYR  88           HD2      TYR  88  21.243   8.517   8.517
  688    HD2  TYR  88           HD1      TYR  88  22.494   6.929   6.929
  689    HE1  TYR  88           HE2      TYR  88  23.178   7.322   7.322
  690    HE2  TYR  88           HE1      TYR  88  24.425   5.740   5.740
  691    HH   TYR  88           HH       TYR  88  25.562   6.520   6.520
  692    H    LYS  89           HN       LYS  89  17.500   9.590   9.590
  693    HA   LYS  89           HA       LYS  89  17.759  11.417  11.417
  694   1HB   LYS  89          2HB       LYS  89  15.605   9.716   9.716
  695   2HB   LYS  89          3HB       LYS  89  15.114  11.092  11.092
  696   1HG   LYS  89          2HG       LYS  89  17.058  10.107  10.107
  697   2HG   LYS  89          3HG       LYS  89  16.601   8.618   8.618
  698   1HD   LYS  89          2HD       LYS  89  14.124   9.777   9.777
  699   2HD   LYS  89          3HD       LYS  89  15.094  10.228  10.228
  700   1HE   LYS  89          2HE       LYS  89  15.198   8.077   8.077
  701   2HE   LYS  89          3HE       LYS  89  15.505   7.410   7.410
  702   1HZ   LYS  89          3HZ       LYS  89  13.053   7.984   7.984
  703   2HZ   LYS  89          1HZ       LYS  89  12.944   8.018   8.018
  704   3HZ   LYS  89          2HZ       LYS  89  13.422   6.653   6.653
  705    H    LYS  90           HN       LYS  90  17.053  11.583  11.583
  706    HA   LYS  90           HA       LYS  90  15.733  14.125  14.125
  707   1HB   LYS  90          2HB       LYS  90  16.526  12.258  12.258
  708   2HB   LYS  90          3HB       LYS  90  16.185  13.931  13.931
  709   1HG   LYS  90          2HG       LYS  90  14.068  13.324  13.324
  710   2HG   LYS  90          3HG       LYS  90  14.332  11.782  11.782
  711   1HD   LYS  90          2HD       LYS  90  14.222  12.921  12.921
  712   2HD   LYS  90          3HD       LYS  90  13.922  14.449  14.449
  713   1HE   LYS  90          2HE       LYS  90  11.770  13.786  13.786
  714   2HE   LYS  90          3HE       LYS  90  12.131  12.078  12.078
  715   1HZ   LYS  90          2HZ       LYS  90  12.197  13.716  13.716
  716   2HZ   LYS  90          3HZ       LYS  90  10.741  13.307  13.307
  717   3HZ   LYS  90          1HZ       LYS  90  11.794  12.143  12.143
  718    H    GLY  91           HN       GLY  91  19.017  12.847  12.847
  719   1HA   GLY  91          1HA       GLY  91  20.253  15.254  15.254
  720   2HA   GLY  91          2HA       GLY  91  20.205  15.177  15.177
  721    H    ASN  92           HN       ASN  92  22.647  15.128  15.128
  722    HA   ASN  92           HA       ASN  92  23.532  12.553  12.553
  723   1HB   ASN  92          2HB       ASN  92  25.863  13.684  13.684
  724   2HB   ASN  92          3HB       ASN  92  24.862  14.315  14.315
  725   1HD2  ASN  92          2HD2      ASN  92  26.228  16.791  16.791
  726   2HD2  ASN  92          1HD2      ASN  92  26.883  15.268  15.268
  727    H    ASP  93           HN       ASP  93  23.798  14.758  14.758
  728    HA   ASP  93           HA       ASP  93  24.549  14.430  14.430
  729   1HB   ASP  93          2HB       ASP  93  22.318  13.487  13.487
  730   2HB   ASP  93          3HB       ASP  93  22.828  11.953  11.953
  731    H    GLY  94           HN       GLY  94  26.674  13.816  13.816
  732   1HA   GLY  94          1HA       GLY  94  28.556  12.543  12.543
  733   2HA   GLY  94          2HA       GLY  94  27.597  11.122  11.122
  734    H    LEU  95           HN       LEU  95  26.580  11.605  11.605
  735    HA   LEU  95           HA       LEU  95  28.808  11.031  11.031
  736   1HB   LEU  95          2HB       LEU  95  26.045  11.879  11.879
  737   2HB   LEU  95          3HB       LEU  95  27.234  11.017  11.017
  738    HG   LEU  95           HG       LEU  95  25.996   9.907   9.907
  739   1HD1  LEU  95          3HD1      LEU  95  24.694  10.341  10.341
  740   2HD1  LEU  95          1HD1      LEU  95  25.131   8.615   8.615
  741   3HD1  LEU  95          2HD1      LEU  95  24.171   9.286   9.286
  742   1HD2  LEU  95          2HD2      LEU  95  28.024   8.943   8.943
  743   2HD2  LEU  95          3HD2      LEU  95  27.791   8.559   8.559
  744   3HD2  LEU  95          1HD2      LEU  95  26.786   7.762   7.762
  745    H    CYS  96           HN       CYS  96  28.721  12.424  12.424
  746    HA   CYS  96           HA       CYS  96  29.805  14.951  14.951
  747   1HB   CYS  96          2HB       CYS  96  30.533  15.151  15.151
  748   2HB   CYS  96          3HB       CYS  96  31.122  13.704  13.704
  749    HG   CYS  96           HG       CYS  96  30.137  12.072  12.072
  750    H    GLN  97           HN       GLN  97  27.154  13.597  13.597
  751    HA   GLN  97           HA       GLN  97  25.839  16.174  16.174
  752   1HB   GLN  97          2HB       GLN  97  26.327  14.626  14.626
  753   2HB   GLN  97          3HB       GLN  97  24.969  15.725  15.725
  754   1HG   GLN  97          2HG       GLN  97  26.400  17.393  17.393
  755   2HG   GLN  97          3HG       GLN  97  27.098  17.233  17.233
  756   1HE2  GLN  97          2HE2      GLN  97  28.873  15.323  15.323
  757   2HE2  GLN  97          1HE2      GLN  97  27.163  15.588  15.588
  758    H    LYS  98           HN       LYS  98  23.483  16.055  16.055
  759    HA   LYS  98           HA       LYS  98  22.521  13.665  13.665
  760   1HB   LYS  98          2HB       LYS  98  20.392  14.836  14.836
  761   2HB   LYS  98          3HB       LYS  98  21.694  15.880  15.880
  762   1HG   LYS  98          2HG       LYS  98  21.615  16.390  16.390
  763   2HG   LYS  98          3HG       LYS  98  19.923  16.140  16.140
  764   1HD   LYS  98          2HD       LYS  98  19.914  17.905  17.905
  765   2HD   LYS  98          3HD       LYS  98  21.665  17.965  17.965
  766   1HE   LYS  98          2HE       LYS  98  21.662  19.555  19.555
  767   2HE   LYS  98          3HE       LYS  98  20.960  18.406  18.406
  768   1HZ   LYS  98          2HZ       LYS  98  18.785  19.005  19.005
  769   2HZ   LYS  98          3HZ       LYS  98  19.558  20.281  20.281
  770   3HZ   LYS  98          1HZ       LYS  98  19.458  20.142  20.142
  771    H    LEU  99           HN       LEU  99  20.455  12.566  12.566
  772    HA   LEU  99           HA       LEU  99  21.032  11.865  11.865
  773   1HB   LEU  99          2HB       LEU  99  19.428  10.553  10.553
  774   2HB   LEU  99          3HB       LEU  99  19.405   9.993   9.993
  775    HG   LEU  99           HG       LEU  99  21.652   9.916   9.916
  776   1HD1  LEU  99          3HD1      LEU  99  19.806   8.049   8.049
  777   2HD1  LEU  99          1HD1      LEU  99  21.312   7.645   7.645
  778   3HD1  LEU  99          2HD1      LEU  99  21.293   7.721   7.721
  779   1HD2  LEU  99          2HD2      LEU  99  21.905  10.041  10.041
  780   2HD2  LEU  99          3HD2      LEU  99  22.881  10.836  10.836
  781   3HD2  LEU  99          1HD2      LEU  99  23.055   9.089   9.089
  782    H    SER 100           HN       SER 100  19.422  11.891  11.891
  783    HA   SER 100           HA       SER 100  17.243  13.710  13.710
  784   1HB   SER 100          2HB       SER 100  17.277  14.400  14.400
  785   2HB   SER 100          3HB       SER 100  18.855  14.625  14.625
  786    HG   SER 100           HG       SER 100  19.103  13.628  13.628
  787    H    VAL 101           HN       VAL 101  17.853  11.487  11.487
  788    HA   VAL 101           HA       VAL 101  15.531   9.918   9.918
  789    HB   VAL 101           HB       VAL 101  14.653   9.989   9.989
  790   1HG1  VAL 101          1HG1      VAL 101  14.177  11.750  11.750
  791   2HG1  VAL 101          2HG1      VAL 101  14.848  12.878  12.878
  792   3HG1  VAL 101          3HG1      VAL 101  13.423  11.890  11.890
  793   1HG2  VAL 101          2HG2      VAL 101  17.138  11.509  11.509
  794   2HG2  VAL 101          3HG2      VAL 101  16.148  10.537  10.537
  795   3HG2  VAL 101          1HG2      VAL 101  15.680  12.213  12.213
  796    HA   PRO 102           HA       PRO 102  18.079   6.673   6.673
  797   1HB   PRO 102          2HB       PRO 102  16.262   4.689   4.689
  798   2HB   PRO 102          3HB       PRO 102  16.805   5.122   5.122
  799   1HG   PRO 102          2HG       PRO 102  14.225   5.728   5.728
  800   2HG   PRO 102          3HG       PRO 102  14.627   5.769   5.769
  801   1HD   PRO 102          2HD       PRO 102  14.346   8.023   8.023
  802   2HD   PRO 102          3HD       PRO 102  14.860   8.055   8.055
  803    H    CYS 103           HN       CYS 103  19.059   5.572   5.572
  804    HA   CYS 103           HA       CYS 103  18.892   6.812   6.812
  805   1HB   CYS 103          2HB       CYS 103  20.714   5.323   5.323
  806   2HB   CYS 103          3HB       CYS 103  19.644   3.939   3.939
  807    HG   CYS 103           HG       CYS 103  20.037   5.903   5.903
  808    H    MET 104           HN       MET 104  17.426   6.842   6.842
  809    HA   MET 104           HA       MET 104  15.018   5.363   5.363
  810   1HB   MET 104          2HB       MET 104  15.968   7.207   7.207
  811   2HB   MET 104          3HB       MET 104  14.320   6.649   6.649
  812   1HG   MET 104          2HG       MET 104  15.580   7.992   7.992
  813   2HG   MET 104          3HG       MET 104  15.204   9.017   9.017
  814   1HE   MET 104          3HE       MET 104  14.296   9.612   9.612
  815   2HE   MET 104          1HE       MET 104  12.574   9.998   9.998
  816   3HE   MET 104          2HE       MET 104  13.050   8.649   8.649
  817    H    SER 105           HN       SER 105  13.994   4.192   4.192
  818    HA   SER 105           HA       SER 105  16.039   2.916   2.916
  819   1HB   SER 105          2HB       SER 105  15.135   0.686   0.686
  820   2HB   SER 105          3HB       SER 105  15.603   1.433   1.433
  821    HG   SER 105           HG       SER 105  13.145   2.179   2.179
  822    H    SER 106           HN       SER 106  14.850   4.717   4.717
  823    HA   SER 106           HA       SER 106  13.185   3.398   3.398
  824   1HB   SER 106          2HB       SER 106  11.771   4.428   4.428
  825   2HB   SER 106          3HB       SER 106  11.495   5.594   5.594
  826    HG   SER 106           HG       SER 106  10.414   3.098   3.098
  827    H    LYS 107           HN       LYS 107  12.271   5.107   5.107
  828    HA   LYS 107           HA       LYS 107  13.187   7.714   7.714
  829   1HB   LYS 107          2HB       LYS 107  15.343   5.951   5.951
  830   2HB   LYS 107          3HB       LYS 107  14.983   6.506   6.506
  831   1HG   LYS 107          2HG       LYS 107  15.257   8.408   8.408
  832   2HG   LYS 107          3HG       LYS 107  16.611   7.965   7.965
  833   1HD   LYS 107          2HD       LYS 107  14.848   8.679   8.679
  834   2HD   LYS 107          3HD       LYS 107  14.223   9.672   9.672
  835   1HE   LYS 107          2HE       LYS 107  15.821  11.145  11.145
  836   2HE   LYS 107          3HE       LYS 107  16.840  10.256  10.256
  837   1HZ   LYS 107          3HZ       LYS 107  16.663   8.972   8.972
  838   2HZ   LYS 107          1HZ       LYS 107  17.229  10.497  10.497
  839   3HZ   LYS 107          2HZ       LYS 107  17.988   9.437   9.437

  Start of MODEL   20
    1    H    MET   1           HN       MET   1   1.884   0.000   0.000
    2    HA   MET   1           HA       MET   1   2.031   1.026   1.026
    3   1HB   MET   1          2HB       MET   1   3.525  -1.218  -1.218
    4   2HB   MET   1          3HB       MET   1   3.944  -0.866  -0.866
    5   1HG   MET   1          2HG       MET   1   4.196   1.606   1.606
    6   2HG   MET   1          3HG       MET   1   4.075   1.043   1.043
    7   1HE   MET   1          2HE       MET   1   6.271   2.672   2.672
    8   2HE   MET   1          3HE       MET   1   6.802   2.038   2.038
    9   3HE   MET   1          1HE       MET   1   7.864   1.894   1.894
   10    H    GLU   2           HN       GLU   2   2.196  -2.588  -2.588
   11    HA   GLU   2           HA       GLU   2   0.111  -2.900  -2.900
   12   1HB   GLU   2          2HB       GLU   2   2.482  -2.416  -2.416
   13   2HB   GLU   2          3HB       GLU   2   2.692  -4.133  -4.133
   14   1HG   GLU   2          2HG       GLU   2   0.660  -4.666  -4.666
   15   2HG   GLU   2          3HG       GLU   2   0.196  -2.978  -2.978
   16    H    THR   3           HN       THR   3   0.909  -3.668  -3.668
   17    HA   THR   3           HA       THR   3   0.601  -6.565  -6.565
   18    HB   THR   3           HB       THR   3   2.159  -6.697  -6.697
   19    HG1  THR   3           HG1      THR   3   2.991  -4.714  -4.714
   20   1HG2  THR   3          1HG2      THR   3   3.071  -5.900  -5.900
   21   2HG2  THR   3          2HG2      THR   3   4.267  -6.094  -6.094
   22   3HG2  THR   3          3HG2      THR   3   3.247  -7.470  -7.470
   23    H    GLU   4           HN       GLU   4  -0.689  -7.618  -7.618
   24    HA   GLU   4           HA       GLU   4  -2.345  -5.738  -5.738
   25   1HB   GLU   4          2HB       GLU   4  -2.837  -8.181  -8.181
   26   2HB   GLU   4          3HB       GLU   4  -3.417  -8.382  -8.382
   27   1HG   GLU   4          2HG       GLU   4  -5.279  -7.400  -7.400
   28   2HG   GLU   4          3HG       GLU   4  -4.499  -6.004  -6.004
   29    H    GLU   5           HN       GLU   5  -2.120  -5.526  -5.526
   30    HA   GLU   5           HA       GLU   5  -0.822  -7.755  -7.755
   31   1HB   GLU   5          2HB       GLU   5  -0.281  -4.846  -4.846
   32   2HB   GLU   5          3HB       GLU   5  -0.410  -5.536  -5.536
   33   1HG   GLU   5          2HG       GLU   5   1.361  -7.105  -7.105
   34   2HG   GLU   5          3HG       GLU   5   1.286  -6.878  -6.878
   35    H    TRP   6           HN       TRP   6  -3.506  -8.017  -8.017
   36    HA   TRP   6           HA       TRP   6  -4.886  -6.709  -6.709
   37   1HB   TRP   6          2HB       TRP   6  -6.735  -8.313  -8.313
   38   2HB   TRP   6          3HB       TRP   6  -6.264  -6.975  -6.975
   39    HD1  TRP   6           HD1      TRP   6  -5.624  -7.626  -7.626
   40    HE1  TRP   6           HE1      TRP   6  -5.151  -9.820  -9.820
   41    HE3  TRP   6           HE3      TRP   6  -5.648 -10.782 -10.782
   42    HZ2  TRP   6           HZ2      TRP   6  -4.846 -12.568 -12.568
   43    HZ3  TRP   6           HZ3      TRP   6  -5.255 -13.205 -13.205
   44    HH2  TRP   6           HH2      TRP   6  -4.864 -14.111 -14.111
   45    H    PHE   7           HN       PHE   7  -2.862  -9.477  -9.477
   46    HA   PHE   7           HA       PHE   7  -4.046 -10.957 -10.957
   47   1HB   PHE   7          2HB       PHE   7  -3.288 -12.185 -12.185
   48   2HB   PHE   7          3HB       PHE   7  -1.755 -11.337 -11.337
   49    HD1  PHE   7           HD2      PHE   7  -3.615 -13.190 -13.190
   50    HD2  PHE   7           HD1      PHE   7  -0.040 -12.816 -12.816
   51    HE1  PHE   7           HE2      PHE   7  -2.580 -15.050 -15.050
   52    HE2  PHE   7           HE1      PHE   7   0.994 -14.676 -14.676
   53   1HZ   PHE   7           HZ       PHE   7  -0.288 -15.771 -15.771
   54    H    PHE   8           HN       PHE   8  -3.160 -11.146 -11.146
   55    HA   PHE   8           HA       PHE   8  -0.746  -9.542  -9.542
   56   1HB   PHE   8          2HB       PHE   8  -3.318 -10.172 -10.172
   57   2HB   PHE   8          3HB       PHE   8  -1.890  -9.904  -9.904
   58    HD1  PHE   8           HD2      PHE   8  -0.511  -7.713  -7.713
   59    HD2  PHE   8           HD1      PHE   8  -4.654  -8.347  -8.347
   60    HE1  PHE   8           HE2      PHE   8  -0.864  -5.233  -5.233
   61    HE2  PHE   8           HE1      PHE   8  -5.008  -5.868  -5.868
   62   1HZ   PHE   8           HZ       PHE   8  -3.109  -4.340  -4.340
   63    H    LYS   9           HN       LYS   9   0.841 -10.339 -10.339
   64    HA   LYS   9           HA       LYS   9   0.669 -13.251 -13.251
   65   1HB   LYS   9          2HB       LYS   9   3.032 -13.417 -13.417
   66   2HB   LYS   9          3HB       LYS   9   2.292 -12.589 -12.589
   67   1HG   LYS   9          2HG       LYS   9   3.186 -10.775 -10.775
   68   2HG   LYS   9          3HG       LYS   9   4.488 -11.663 -11.663
   69   1HD   LYS   9          2HD       LYS   9   2.382 -10.141 -10.141
   70   2HD   LYS   9          3HD       LYS   9   3.874  -9.396  -9.396
   71   1HE   LYS   9          2HE       LYS   9   4.630 -11.876 -11.876
   72   2HE   LYS   9          3HE       LYS   9   3.435 -11.168 -11.168
   73   1HZ   LYS   9          3HZ       LYS   9   4.731  -9.109  -9.109
   74   2HZ   LYS   9          1HZ       LYS   9   5.877  -9.858  -9.858
   75   3HZ   LYS   9          2HZ       LYS   9   5.577 -10.352 -10.352
   76    H    GLY  10           HN       GLY  10   1.595 -14.104 -14.104
   77   1HA   GLY  10          1HA       GLY  10   1.642 -14.054 -14.054
   78   2HA   GLY  10          2HA       GLY  10   2.906 -12.871 -12.871
   79    H    ILE  11           HN       ILE  11  -0.732 -12.949 -12.949
   80    HA   ILE  11           HA       ILE  11  -0.719 -10.523 -10.523
   81    HB   ILE  11           HB       ILE  11  -1.511 -10.748 -10.748
   82   1HG1  ILE  11          2HG1      ILE  11  -1.794  -8.633  -8.633
   83   2HG1  ILE  11          3HG1      ILE  11  -0.608  -8.736  -8.736
   84   1HG2  ILE  11          3HG2      ILE  11  -3.612 -11.789 -11.789
   85   2HG2  ILE  11          1HG2      ILE  11  -3.949 -10.193 -10.193
   86   3HG2  ILE  11          2HG2      ILE  11  -3.838 -10.373 -10.373
   87   1HD1  ILE  11          3HD1      ILE  11  -2.884  -8.714  -8.714
   88   2HD1  ILE  11          1HD1      ILE  11  -3.435  -7.776  -7.776
   89   3HD1  ILE  11          2HD1      ILE  11  -2.017  -7.235  -7.235
   90    H    SER  12           HN       SER  12  -2.708 -10.239 -10.239
   91    HA   SER  12           HA       SER  12  -3.795 -12.865 -12.865
   92   1HB   SER  12          2HB       SER  12  -4.110 -12.053 -12.053
   93   2HB   SER  12          3HB       SER  12  -2.445 -11.794 -11.794
   94    HG   SER  12           HG       SER  12  -2.798  -9.593  -9.593
   95    H    ARG  13           HN       ARG  13  -6.039 -12.278 -12.278
   96    HA   ARG  13           HA       ARG  13  -7.700 -11.161 -11.161
   97   1HB   ARG  13          2HB       ARG  13  -8.349 -13.249 -13.249
   98   2HB   ARG  13          3HB       ARG  13  -8.390 -12.366 -12.366
   99   1HG   ARG  13          2HG       ARG  13 -10.017 -10.971 -10.971
  100   2HG   ARG  13          3HG       ARG  13 -10.497 -12.655 -12.655
  101   1HD   ARG  13          2HD       ARG  13 -10.133 -11.014 -11.014
  102   2HD   ARG  13          3HD       ARG  13 -11.652 -11.027 -11.027
  103    HE   ARG  13           HE       ARG  13 -10.882 -13.737 -13.737
  104   1HH1  ARG  13          2HH2      ARG  13 -11.828 -10.986 -10.986
  105   2HH1  ARG  13          1HH2      ARG  13 -12.497 -11.963 -11.963
  106   1HH2  ARG  13          2HH1      ARG  13 -11.765 -15.027 -15.027
  107   2HH2  ARG  13          1HH1      ARG  13 -12.461 -14.277 -14.277
  108    H    LYS  14           HN       LYS  14  -6.331 -10.288 -10.288
  109    HA   LYS  14           HA       LYS  14  -8.196  -8.171  -8.171
  110   1HB   LYS  14          2HB       LYS  14  -5.573  -8.943  -8.943
  111   2HB   LYS  14          3HB       LYS  14  -6.596  -7.631  -7.631
  112   1HG   LYS  14          2HG       LYS  14  -8.008 -10.227 -10.227
  113   2HG   LYS  14          3HG       LYS  14  -6.820 -10.238 -10.238
  114   1HD   LYS  14          2HD       LYS  14  -7.904  -8.212  -8.212
  115   2HD   LYS  14          3HD       LYS  14  -9.099  -8.220  -8.220
  116   1HE   LYS  14          2HE       LYS  14 -10.344  -9.561  -9.561
  117   2HE   LYS  14          3HE       LYS  14  -9.227 -10.845 -10.845
  118   1HZ   LYS  14          2HZ       LYS  14  -8.540  -9.009  -9.009
  119   2HZ   LYS  14          3HZ       LYS  14  -9.589 -10.227 -10.227
  120   3HZ   LYS  14          1HZ       LYS  14  -8.073 -10.559 -10.559
  121    H    ASP  15           HN       ASP  15  -5.117  -8.627  -8.627
  122    HA   ASP  15           HA       ASP  15  -4.564  -5.846  -5.846
  123   1HB   ASP  15          2HB       ASP  15  -3.422  -8.342  -8.342
  124   2HB   ASP  15          3HB       ASP  15  -2.974  -6.786  -6.786
  125    H    ALA  16           HN       ALA  16  -6.255  -8.308  -8.308
  126    HA   ALA  16           HA       ALA  16  -6.367  -6.720  -6.720
  127   1HB   ALA  16          1HB       ALA  16  -7.070  -9.408  -9.408
  128   2HB   ALA  16          2HB       ALA  16  -8.363  -8.692  -8.692
  129   3HB   ALA  16          3HB       ALA  16  -6.710  -8.818  -8.818
  130    H    GLU  17           HN       GLU  17  -8.089  -6.904  -6.904
  131    HA   GLU  17           HA       GLU  17 -10.503  -5.839  -5.839
  132   1HB   GLU  17          2HB       GLU  17  -9.470  -6.578  -6.578
  133   2HB   GLU  17          3HB       GLU  17 -10.828  -5.474  -5.474
  134   1HG   GLU  17          2HG       GLU  17 -11.464  -7.504  -7.504
  135   2HG   GLU  17          3HG       GLU  17 -10.751  -8.365  -8.365
  136    H    ARG  18           HN       ARG  18  -7.544  -4.635  -4.635
  137    HA   ARG  18           HA       ARG  18  -8.630  -2.043  -2.043
  138   1HB   ARG  18          2HB       ARG  18  -6.400  -1.455  -1.455
  139   2HB   ARG  18          3HB       ARG  18  -6.826  -3.030  -3.030
  140   1HG   ARG  18          2HG       ARG  18  -5.452  -4.165  -4.165
  141   2HG   ARG  18          3HG       ARG  18  -5.179  -2.669  -2.669
  142   1HD   ARG  18          2HD       ARG  18  -3.945  -1.736  -1.736
  143   2HD   ARG  18          3HD       ARG  18  -4.248  -3.206  -3.206
  144    HE   ARG  18           HE       ARG  18  -3.030  -4.026  -4.026
  145   1HH1  ARG  18          2HH2      ARG  18  -2.187  -2.018  -2.018
  146   2HH1  ARG  18          1HH2      ARG  18  -0.489  -2.336  -2.336
  147   1HH2  ARG  18          2HH1      ARG  18  -0.790  -4.445  -4.445
  148   2HH2  ARG  18          1HH1      ARG  18   0.311  -3.725  -3.725
  149    H    GLN  19           HN       GLN  19  -6.768  -3.805  -3.805
  150    HA   GLN  19           HA       GLN  19  -5.754  -1.568  -1.568
  151   1HB   GLN  19          2HB       GLN  19  -6.170  -4.474  -4.474
  152   2HB   GLN  19          3HB       GLN  19  -5.784  -3.369  -3.369
  153   1HG   GLN  19          2HG       GLN  19  -3.951  -2.612  -2.612
  154   2HG   GLN  19          3HG       GLN  19  -4.070  -4.339  -4.339
  155   1HE2  GLN  19          2HE2      GLN  19  -2.117  -5.244  -5.244
  156   2HE2  GLN  19          1HE2      GLN  19  -2.875  -5.621  -5.621
  157    H    LEU  20           HN       LEU  20  -8.740  -3.561  -3.561
  158    HA   LEU  20           HA       LEU  20  -9.616  -2.075  -2.075
  159   1HB   LEU  20          2HB       LEU  20 -10.765  -4.156  -4.156
  160   2HB   LEU  20          3HB       LEU  20 -11.848  -3.245  -3.245
  161    HG   LEU  20           HG       LEU  20  -9.433  -4.718  -4.718
  162   1HD1  LEU  20          3HD1      LEU  20 -12.129  -5.749  -5.749
  163   2HD1  LEU  20          1HD1      LEU  20 -11.394  -6.342  -6.342
  164   3HD1  LEU  20          2HD1      LEU  20 -10.538  -6.546  -6.546
  165   1HD2  LEU  20          1HD2      LEU  20 -10.498  -2.878  -2.878
  166   2HD2  LEU  20          2HD2      LEU  20 -10.434  -4.478  -4.478
  167   3HD2  LEU  20          3HD2      LEU  20 -11.961  -3.890  -3.890
  168    H    LEU  21           HN       LEU  21  -9.909  -1.760  -1.760
  169    HA   LEU  21           HA       LEU  21 -11.934   0.287   0.287
  170   1HB   LEU  21          2HB       LEU  21 -10.533  -0.984  -0.984
  171   2HB   LEU  21          3HB       LEU  21 -11.615   0.383   0.383
  172    HG   LEU  21           HG       LEU  21 -12.511  -2.159  -2.159
  173   1HD1  LEU  21          3HD1      LEU  21 -11.725  -1.923  -1.923
  174   2HD1  LEU  21          1HD1      LEU  21 -13.497  -2.077  -2.077
  175   3HD1  LEU  21          2HD1      LEU  21 -12.468  -3.306  -3.306
  176   1HD2  LEU  21          3HD2      LEU  21 -13.743   0.376   0.376
  177   2HD2  LEU  21          1HD2      LEU  21 -14.281  -0.852  -0.852
  178   3HD2  LEU  21          2HD2      LEU  21 -14.642  -1.055  -1.055
  179    H    ALA  22           HN       ALA  22  -8.565   0.046   0.046
  180    HA   ALA  22           HA       ALA  22  -7.680   2.346   2.346
  181   1HB   ALA  22          2HB       ALA  22  -6.530   0.307   0.307
  182   2HB   ALA  22          3HB       ALA  22  -6.433   1.597   1.597
  183   3HB   ALA  22          1HB       ALA  22  -5.691   1.830   1.830
  184    HA   PRO  23           HA       PRO  23  -9.071   5.560   5.560
  185   1HB   PRO  23          2HB       PRO  23  -7.042   7.387   7.387
  186   2HB   PRO  23          3HB       PRO  23  -8.217   7.175   7.175
  187   1HG   PRO  23          2HG       PRO  23  -5.395   6.300   6.300
  188   2HG   PRO  23          3HG       PRO  23  -6.443   6.481   6.481
  189   1HD   PRO  23          2HD       PRO  23  -5.692   4.023   4.023
  190   2HD   PRO  23          3HD       PRO  23  -6.831   4.215   4.215
  191    H    GLY  24           HN       GLY  24  -9.426   4.712   4.712
  192   1HA   GLY  24          1HA       GLY  24  -8.180   5.784   5.784
  193   2HA   GLY  24          2HA       GLY  24  -7.144   4.424   4.424
  194    H    ASN  25           HN       ASN  25  -8.968   2.490   2.490
  195    HA   ASN  25           HA       ASN  25 -10.156   1.786   1.786
  196   1HB   ASN  25          2HB       ASN  25 -10.159   0.307   0.307
  197   2HB   ASN  25          3HB       ASN  25 -10.633  -0.388  -0.388
  198   1HD2  ASN  25          2HD2      ASN  25  -6.750  -0.173  -0.173
  199   2HD2  ASN  25          1HD2      ASN  25  -8.096   0.328   0.328
  200    H    MET  26           HN       MET  26 -12.464   1.427   1.427
  201    HA   MET  26           HA       MET  26 -14.134   2.224   2.224
  202   1HB   MET  26          2HB       MET  26 -15.485   3.654   3.654
  203   2HB   MET  26          3HB       MET  26 -13.818   4.196   4.196
  204   1HG   MET  26          2HG       MET  26 -13.410   2.864   2.864
  205   2HG   MET  26          3HG       MET  26 -15.093   2.375   2.375
  206   1HE   MET  26          3HE       MET  26 -16.796   3.317   3.317
  207   2HE   MET  26          1HE       MET  26 -17.207   5.039   5.039
  208   3HE   MET  26          2HE       MET  26 -16.683   4.416   4.416
  209    H    LEU  27           HN       LEU  27 -16.512   1.627   1.627
  210    HA   LEU  27           HA       LEU  27 -16.845  -1.000  -1.000
  211   1HB   LEU  27          2HB       LEU  27 -18.579   1.375   1.375
  212   2HB   LEU  27          3HB       LEU  27 -19.222  -0.033  -0.033
  213    HG   LEU  27           HG       LEU  27 -18.163  -0.717  -0.717
  214   1HD1  LEU  27          1HD1      LEU  27 -19.113   1.794   1.794
  215   2HD1  LEU  27          2HD1      LEU  27 -20.638   0.897   0.897
  216   3HD1  LEU  27          3HD1      LEU  27 -19.293   0.632   0.632
  217   1HD2  LEU  27          2HD2      LEU  27 -19.765  -1.977  -1.977
  218   2HD2  LEU  27          3HD2      LEU  27 -20.074  -2.026  -2.026
  219   3HD2  LEU  27          1HD2      LEU  27 -21.028  -0.943  -0.943
  220    H    GLY  28           HN       GLY  28 -16.085  -2.245  -2.245
  221   1HA   GLY  28          1HA       GLY  28 -16.971  -2.812  -2.812
  222   2HA   GLY  28          2HA       GLY  28 -16.384  -1.220  -1.220
  223    H    SER  29           HN       SER  29 -14.142  -1.682  -1.682
  224    HA   SER  29           HA       SER  29 -12.293  -2.704  -2.704
  225   1HB   SER  29          2HB       SER  29 -11.836  -1.953  -1.953
  226   2HB   SER  29          3HB       SER  29 -10.597  -2.146  -2.146
  227    HG   SER  29           HG       SER  29 -10.991   0.059   0.059
  228    H    PHE  30           HN       PHE  30 -11.463  -4.780  -4.780
  229    HA   PHE  30           HA       PHE  30 -12.160  -6.564  -6.564
  230   1HB   PHE  30          2HB       PHE  30 -12.518  -8.274  -8.274
  231   2HB   PHE  30          3HB       PHE  30 -13.359  -6.843  -6.843
  232    HD1  PHE  30           HD1      PHE  30 -10.444  -9.003  -9.003
  233    HD2  PHE  30           HD2      PHE  30 -12.579  -5.620  -5.620
  234    HE1  PHE  30           HE1      PHE  30  -9.149  -9.086  -9.086
  235    HE2  PHE  30           HE2      PHE  30 -11.284  -5.703  -5.703
  236   1HZ   PHE  30           HZ       PHE  30  -9.585  -7.435  -7.435
  237    H    MET  31           HN       MET  31 -10.672  -8.512  -8.512
  238    HA   MET  31           HA       MET  31  -8.076  -8.097  -8.097
  239   1HB   MET  31          2HB       MET  31  -6.935  -8.092  -8.092
  240   2HB   MET  31          3HB       MET  31  -8.051  -6.744  -6.744
  241   1HG   MET  31          2HG       MET  31  -9.499  -7.644  -7.644
  242   2HG   MET  31          3HG       MET  31  -9.193  -9.296  -9.296
  243   1HE   MET  31          1HE       MET  31  -6.803  -6.457  -6.457
  244   2HE   MET  31          2HE       MET  31  -7.611  -6.242  -6.242
  245   3HE   MET  31          3HE       MET  31  -5.947  -6.870  -6.870
  246    H    ILE  32           HN       ILE  32  -6.602  -9.995  -9.995
  247    HA   ILE  32           HA       ILE  32  -8.090 -12.368 -12.368
  248    HB   ILE  32           HB       ILE  32  -6.590 -11.975 -11.975
  249   1HG1  ILE  32          2HG1      ILE  32  -9.340 -13.153 -13.153
  250   2HG1  ILE  32          3HG1      ILE  32  -9.103 -11.419 -11.419
  251   1HG2  ILE  32          2HG2      ILE  32  -7.260 -14.519 -14.519
  252   2HG2  ILE  32          3HG2      ILE  32  -7.139 -14.474 -14.474
  253   3HG2  ILE  32          1HG2      ILE  32  -5.735 -14.030 -14.030
  254   1HD1  ILE  32          1HD1      ILE  32  -7.587 -12.286 -12.286
  255   2HD1  ILE  32          2HD1      ILE  32  -8.937 -13.446 -13.446
  256   3HD1  ILE  32          3HD1      ILE  32  -9.264 -11.699 -11.699
  257    H    ARG  33           HN       ARG  33  -6.948 -13.699 -13.699
  258    HA   ARG  33           HA       ARG  33  -4.081 -13.270 -13.270
  259   1HB   ARG  33          2HB       ARG  33  -4.080 -13.223 -13.223
  260   2HB   ARG  33          3HB       ARG  33  -5.144 -11.963 -11.963
  261   1HG   ARG  33          2HG       ARG  33  -6.999 -13.893 -13.893
  262   2HG   ARG  33          3HG       ARG  33  -5.856 -14.574 -14.574
  263   1HD   ARG  33          2HD       ARG  33  -5.968 -12.657 -12.657
  264   2HD   ARG  33          3HD       ARG  33  -6.697 -11.657 -11.657
  265    HE   ARG  33           HE       ARG  33  -8.796 -12.532 -12.532
  266   1HH1  ARG  33          2HH2      ARG  33  -6.291 -14.628 -14.628
  267   2HH1  ARG  33          1HH2      ARG  33  -7.402 -15.612 -15.612
  268   1HH2  ARG  33          2HH1      ARG  33 -10.262 -13.829 -13.829
  269   2HH2  ARG  33          1HH1      ARG  33  -9.676 -15.155 -15.155
  270    H    ASP  34           HN       ASP  34  -2.864 -15.154 -15.154
  271    HA   ASP  34           HA       ASP  34  -4.333 -17.572 -17.572
  272   1HB   ASP  34          2HB       ASP  34  -2.168 -17.385 -17.385
  273   2HB   ASP  34          3HB       ASP  34  -1.390 -16.913 -16.913
  274    H    SER  35           HN       SER  35  -3.983 -19.481 -19.481
  275    HA   SER  35           HA       SER  35  -4.509 -18.620 -18.620
  276   1HB   SER  35          2HB       SER  35  -5.395 -20.720 -20.720
  277   2HB   SER  35          3HB       SER  35  -3.832 -21.452 -21.452
  278    HG   SER  35           HG       SER  35  -5.274 -22.024 -22.024
  279    H    GLU  36           HN       GLU  36  -3.257 -19.358 -19.358
  280    HA   GLU  36           HA       GLU  36  -0.411 -19.415 -19.415
  281   1HB   GLU  36          2HB       GLU  36  -0.771 -17.359 -17.359
  282   2HB   GLU  36          3HB       GLU  36  -1.961 -18.035 -18.035
  283   1HG   GLU  36          2HG       GLU  36  -0.365 -18.886 -18.886
  284   2HG   GLU  36          3HG       GLU  36   0.772 -19.245 -19.245
  285    H    THR  37           HN       THR  37  -3.084 -20.723 -20.723
  286    HA   THR  37           HA       THR  37  -1.282 -22.571 -22.571
  287    HB   THR  37           HB       THR  37  -3.616 -23.240 -23.240
  288    HG1  THR  37           HG1      THR  37  -5.093 -21.327 -21.327
  289   1HG2  THR  37          2HG2      THR  37  -1.935 -21.624 -21.624
  290   2HG2  THR  37          3HG2      THR  37  -2.826 -20.302 -20.302
  291   3HG2  THR  37          1HG2      THR  37  -3.645 -21.336 -21.336
  292    H    THR  38           HN       THR  38  -4.058 -22.665 -22.665
  293    HA   THR  38           HA       THR  38  -3.282 -25.441 -25.441
  294    HB   THR  38           HB       THR  38  -5.872 -23.859 -23.859
  295    HG1  THR  38           HG1      THR  38  -6.218 -25.424 -25.424
  296   1HG2  THR  38          1HG2      THR  38  -5.076 -26.202 -26.202
  297   2HG2  THR  38          2HG2      THR  38  -6.702 -26.195 -26.195
  298   3HG2  THR  38          3HG2      THR  38  -6.203 -24.871 -24.871
  299    H    LYS  39           HN       LYS  39  -1.381 -24.326 -24.326
  300    HA   LYS  39           HA       LYS  39  -1.620 -22.735 -22.735
  301   1HB   LYS  39          2HB       LYS  39   0.489 -23.749 -23.749
  302   2HB   LYS  39          3HB       LYS  39   0.514 -23.365 -23.365
  303   1HG   LYS  39          2HG       LYS  39   0.844 -25.540 -25.540
  304   2HG   LYS  39          3HG       LYS  39  -0.519 -26.068 -26.068
  305   1HD   LYS  39          2HD       LYS  39   0.799 -26.384 -26.384
  306   2HD   LYS  39          3HD       LYS  39   2.054 -25.290 -25.290
  307   1HE   LYS  39          2HE       LYS  39   3.170 -27.210 -27.210
  308   2HE   LYS  39          3HE       LYS  39   2.161 -27.173 -27.173
  309   1HZ   LYS  39          3HZ       LYS  39   0.559 -28.539 -28.539
  310   2HZ   LYS  39          1HZ       LYS  39   1.554 -28.612 -28.612
  311   3HZ   LYS  39          2HZ       LYS  39   2.007 -29.283 -29.283
  312    H    GLY  40           HN       GLY  40  -1.821 -23.077 -23.077
  313   1HA   GLY  40          1HA       GLY  40  -2.277 -24.428 -24.428
  314   2HA   GLY  40          2HA       GLY  40  -2.904 -25.684 -25.684
  315    H    SER  41           HN       SER  41  -4.293 -23.288 -23.288
  316    HA   SER  41           HA       SER  41  -6.582 -23.263 -23.263
  317   1HB   SER  41          2HB       SER  41  -6.424 -22.904 -22.904
  318   2HB   SER  41          3HB       SER  41  -7.903 -22.768 -22.768
  319    HG   SER  41           HG       SER  41  -7.312 -25.036 -25.036
  320    H    TYR  42           HN       TYR  42  -7.894 -21.229 -21.229
  321    HA   TYR  42           HA       TYR  42  -6.244 -18.871 -18.871
  322   1HB   TYR  42          2HB       TYR  42  -7.922 -19.794 -19.794
  323   2HB   TYR  42          3HB       TYR  42  -7.755 -18.072 -18.072
  324    HD1  TYR  42           HD1      TYR  42  -5.696 -21.170 -21.170
  325    HD2  TYR  42           HD2      TYR  42  -5.920 -16.921 -16.921
  326    HE1  TYR  42           HE1      TYR  42  -3.477 -21.177 -21.177
  327    HE2  TYR  42           HE2      TYR  42  -3.700 -16.943 -16.943
  328    HH   TYR  42           HH       TYR  42  -2.481 -19.071 -19.071
  329    H    SER  43           HN       SER  43  -7.500 -16.849 -16.849
  330    HA   SER  43           HA       SER  43 -10.260 -17.358 -17.358
  331   1HB   SER  43          2HB       SER  43  -8.402 -15.831 -15.831
  332   2HB   SER  43          3HB       SER  43 -10.042 -16.356 -16.356
  333    HG   SER  43           HG       SER  43  -7.708 -17.708 -17.708
  334    H    LEU  44           HN       LEU  44 -11.549 -15.762 -15.762
  335    HA   LEU  44           HA       LEU  44 -10.196 -13.368 -13.368
  336   1HB   LEU  44          2HB       LEU  44 -11.376 -14.418 -14.418
  337   2HB   LEU  44          3HB       LEU  44 -12.748 -14.786 -14.786
  338    HG   LEU  44           HG       LEU  44 -13.241 -12.310 -12.310
  339   1HD1  LEU  44          2HD1      LEU  44 -10.712 -12.122 -12.122
  340   2HD1  LEU  44          3HD1      LEU  44 -11.909 -11.606 -11.606
  341   3HD1  LEU  44          1HD1      LEU  44 -11.853 -10.810 -10.810
  342   1HD2  LEU  44          3HD2      LEU  44 -13.556 -14.135 -14.135
  343   2HD2  LEU  44          1HD2      LEU  44 -14.766 -13.186 -13.186
  344   3HD2  LEU  44          2HD2      LEU  44 -13.797 -12.412 -12.412
  345    H    SER  45           HN       SER  45 -11.113 -11.233 -11.233
  346    HA   SER  45           HA       SER  45 -13.011 -11.126 -11.126
  347   1HB   SER  45          2HB       SER  45 -10.341  -9.667  -9.667
  348   2HB   SER  45          3HB       SER  45 -11.619  -9.660  -9.660
  349    HG   SER  45           HG       SER  45 -10.376 -11.244 -11.244
  350    H    VAL  46           HN       VAL  46 -14.366  -9.320  -9.320
  351    HA   VAL  46           HA       VAL  46 -13.488  -7.182  -7.182
  352    HB   VAL  46           HB       VAL  46 -16.210  -8.460  -8.460
  353   1HG1  VAL  46          2HG1      VAL  46 -15.952  -6.111  -6.111
  354   2HG1  VAL  46          3HG1      VAL  46 -14.680  -6.641  -6.641
  355   3HG1  VAL  46          1HG1      VAL  46 -16.347  -7.230  -7.230
  356   1HG2  VAL  46          1HG2      VAL  46 -13.639  -9.153  -9.153
  357   2HG2  VAL  46          2HG2      VAL  46 -14.864 -10.232 -10.232
  358   3HG2  VAL  46          3HG2      VAL  46 -15.213  -9.364  -9.364
  359    H    ARG  47           HN       ARG  47 -14.655  -5.158  -5.158
  360    HA   ARG  47           HA       ARG  47 -15.362  -4.944  -4.944
  361   1HB   ARG  47          2HB       ARG  47 -13.970  -3.213  -3.213
  362   2HB   ARG  47          3HB       ARG  47 -15.312  -2.845  -2.845
  363   1HG   ARG  47          2HG       ARG  47 -16.467  -1.671  -1.671
  364   2HG   ARG  47          3HG       ARG  47 -15.959  -2.740  -2.740
  365   1HD   ARG  47          2HD       ARG  47 -13.868  -1.634  -1.634
  366   2HD   ARG  47          3HD       ARG  47 -13.926  -0.916  -0.916
  367    HE   ARG  47           HE       ARG  47 -16.159  -0.003  -0.003
  368   1HH1  ARG  47          2HH2      ARG  47 -12.700   0.447   0.447
  369   2HH1  ARG  47          1HH2      ARG  47 -12.700   2.070   2.070
  370   1HH2  ARG  47          2HH1      ARG  47 -16.161   2.138   2.138
  371   2HH2  ARG  47          1HH1      ARG  47 -14.682   3.038   3.038
  372    H    ASP  48           HN       ASP  48 -17.436  -4.314  -4.314
  373    HA   ASP  48           HA       ASP  48 -19.548  -3.945  -3.945
  374   1HB   ASP  48          2HB       ASP  48 -19.313  -6.457  -6.457
  375   2HB   ASP  48          3HB       ASP  48 -19.796  -6.043  -6.043
  376    H    TYR  49           HN       TYR  49 -21.626  -3.246  -3.246
  377    HA   TYR  49           HA       TYR  49 -21.007  -2.216  -2.216
  378   1HB   TYR  49          2HB       TYR  49 -20.848  -0.566  -0.566
  379   2HB   TYR  49          3HB       TYR  49 -22.567  -0.823  -0.823
  380    HD1  TYR  49           HD2      TYR  49 -24.185  -0.024  -0.024
  381    HD2  TYR  49           HD1      TYR  49 -20.007   0.859   0.859
  382    HE1  TYR  49           HE2      TYR  49 -24.669   1.828   1.828
  383    HE2  TYR  49           HE1      TYR  49 -20.505   2.708   2.708
  384    HH   TYR  49           HH       TYR  49 -23.813   3.256   3.256
  385    H    ASP  50           HN       ASP  50 -22.878  -1.884  -1.884
  386    HA   ASP  50           HA       ASP  50 -25.240  -3.249  -3.249
  387   1HB   ASP  50          2HB       ASP  50 -23.663  -3.664  -3.664
  388   2HB   ASP  50          3HB       ASP  50 -25.406  -3.711  -3.711
  389    HA   PRO  51           HA       PRO  51 -27.174   0.384   0.384
  390   1HB   PRO  51          2HB       PRO  51 -29.793  -0.395  -0.395
  391   2HB   PRO  51          3HB       PRO  51 -28.932   0.163   0.163
  392   1HG   PRO  51          2HG       PRO  51 -29.697  -2.595  -2.595
  393   2HG   PRO  51          3HG       PRO  51 -29.232  -1.967  -1.967
  394   1HD   PRO  51          2HD       PRO  51 -27.609  -3.533  -3.533
  395   2HD   PRO  51          3HD       PRO  51 -27.108  -2.808  -2.808
  396    H    ARG  52           HN       ARG  52 -26.792  -2.354  -2.354
  397    HA   ARG  52           HA       ARG  52 -28.212  -1.177  -1.177
  398   1HB   ARG  52          2HB       ARG  52 -27.479  -4.022  -4.022
  399   2HB   ARG  52          3HB       ARG  52 -27.683  -3.625  -3.625
  400   1HG   ARG  52          2HG       ARG  52 -29.972  -2.997  -2.997
  401   2HG   ARG  52          3HG       ARG  52 -29.799  -2.826  -2.826
  402   1HD   ARG  52          2HD       ARG  52 -29.717  -5.197  -5.197
  403   2HD   ARG  52          3HD       ARG  52 -29.358  -5.523  -5.523
  404    HE   ARG  52           HE       ARG  52 -31.992  -5.142  -5.142
  405   1HH1  ARG  52          2HH2      ARG  52 -30.126  -4.658  -4.658
  406   2HH1  ARG  52          1HH2      ARG  52 -31.512  -4.707  -4.707
  407   1HH2  ARG  52          2HH1      ARG  52 -33.820  -5.207  -5.207
  408   2HH2  ARG  52          1HH1      ARG  52 -33.627  -5.021  -5.021
  409    H    GLN  53           HN       GLN  53 -25.228  -3.118  -3.118
  410    HA   GLN  53           HA       GLN  53 -23.974  -2.204  -2.204
  411   1HB   GLN  53          2HB       GLN  53 -23.080  -3.943  -3.943
  412   2HB   GLN  53          3HB       GLN  53 -21.971  -3.478  -3.478
  413   1HG   GLN  53          2HG       GLN  53 -24.408  -4.401  -4.401
  414   2HG   GLN  53          3HG       GLN  53 -23.946  -5.579  -5.579
  415   1HE2  GLN  53          2HE2      GLN  53 -22.222  -5.748  -5.748
  416   2HE2  GLN  53          1HE2      GLN  53 -23.788  -5.140  -5.140
  417    H    GLY  54           HN       GLY  54 -23.236  -1.911  -1.911
  418   1HA   GLY  54          1HA       GLY  54 -22.918   0.474   0.474
  419   2HA   GLY  54          2HA       GLY  54 -21.773   0.582   0.582
  420    H    ASP  55           HN       ASP  55 -19.700   0.554   0.554
  421    HA   ASP  55           HA       ASP  55 -19.102  -0.544  -0.544
  422   1HB   ASP  55          2HB       ASP  55 -17.430   0.526   0.526
  423   2HB   ASP  55          3HB       ASP  55 -16.669  -0.137  -0.137
  424    H    THR  56           HN       THR  56 -18.558  -2.691  -2.691
  425    HA   THR  56           HA       THR  56 -17.326  -4.274  -4.274
  426    HB   THR  56           HB       THR  56 -19.012  -5.965  -5.965
  427    HG1  THR  56           HG1      THR  56 -19.743  -4.462  -4.462
  428   1HG2  THR  56          3HG2      THR  56 -19.863  -3.565  -3.565
  429   2HG2  THR  56          1HG2      THR  56 -20.837  -3.636  -3.636
  430   3HG2  THR  56          2HG2      THR  56 -21.024  -4.893  -4.893
  431    H    VAL  57           HN       VAL  57 -16.618  -6.485  -6.485
  432    HA   VAL  57           HA       VAL  57 -15.896  -6.170  -6.170
  433    HB   VAL  57           HB       VAL  57 -13.927  -7.016  -7.016
  434   1HG1  VAL  57          1HG1      VAL  57 -13.825  -6.513  -6.513
  435   2HG1  VAL  57          2HG1      VAL  57 -12.377  -6.199  -6.199
  436   3HG1  VAL  57          3HG1      VAL  57 -13.101  -7.825  -7.825
  437   1HG2  VAL  57          1HG2      VAL  57 -14.573  -4.267  -4.267
  438   2HG2  VAL  57          2HG2      VAL  57 -14.256  -4.797  -4.797
  439   3HG2  VAL  57          3HG2      VAL  57 -12.916  -4.676  -4.676
  440    H    LYS  58           HN       LYS  58 -16.268  -8.009  -8.009
  441    HA   LYS  58           HA       LYS  58 -16.990 -10.367 -10.367
  442   1HB   LYS  58          2HB       LYS  58 -17.599  -9.462  -9.462
  443   2HB   LYS  58          3HB       LYS  58 -17.887 -11.108 -11.108
  444   1HG   LYS  58          2HG       LYS  58 -18.912  -9.031  -9.031
  445   2HG   LYS  58          3HG       LYS  58 -19.680  -9.019  -9.019
  446   1HD   LYS  58          2HD       LYS  58 -19.317 -11.623 -11.623
  447   2HD   LYS  58          3HD       LYS  58 -20.673 -10.567 -10.567
  448   1HE   LYS  58          2HE       LYS  58 -21.708 -10.986 -10.986
  449   2HE   LYS  58          3HE       LYS  58 -20.193 -11.154 -11.154
  450   1HZ   LYS  58          2HZ       LYS  58 -20.620 -13.180 -13.180
  451   2HZ   LYS  58          3HZ       LYS  58 -21.742 -13.183 -13.183
  452   3HZ   LYS  58          1HZ       LYS  58 -20.158 -13.322 -13.322
  453    H    HIS  59           HN       HIS  59 -16.123 -12.470 -12.470
  454    HA   HIS  59           HA       HIS  59 -13.721 -12.384 -12.384
  455   1HB   HIS  59          2HB       HIS  59 -13.606 -13.864 -13.864
  456   2HB   HIS  59          3HB       HIS  59 -12.302 -13.227 -13.227
  457    HD1  HIS  59           HD1      HIS  59 -11.131 -11.513 -11.513
  458    HD2  HIS  59           HD2      HIS  59 -15.303 -11.223 -11.223
  459    HE1  HIS  59           HE1      HIS  59 -11.592  -9.481  -9.481
  460    H    TYR  60           HN       TYR  60 -14.120 -13.827 -13.827
  461    HA   TYR  60           HA       TYR  60 -15.809 -16.125 -16.125
  462   1HB   TYR  60          2HB       TYR  60 -14.583 -15.061 -15.061
  463   2HB   TYR  60          3HB       TYR  60 -15.879 -16.235 -16.235
  464    HD1  TYR  60           HD1      TYR  60 -15.011 -12.670 -12.670
  465    HD2  TYR  60           HD2      TYR  60 -18.159 -15.552 -15.552
  466    HE1  TYR  60           HE1      TYR  60 -16.727 -10.796 -10.796
  467    HE2  TYR  60           HE2      TYR  60 -19.864 -13.668 -13.668
  468    HH   TYR  60           HH       TYR  60 -18.870 -10.313 -10.313
  469    H    LYS  61           HN       LYS  61 -15.189 -18.277 -18.277
  470    HA   LYS  61           HA       LYS  61 -12.296 -18.633 -18.633
  471   1HB   LYS  61          2HB       LYS  61 -14.683 -20.337 -20.337
  472   2HB   LYS  61          3HB       LYS  61 -13.152 -21.110 -21.110
  473   1HG   LYS  61          2HG       LYS  61 -13.181 -18.802 -18.802
  474   2HG   LYS  61          3HG       LYS  61 -13.772 -20.360 -20.360
  475   1HD   LYS  61          2HD       LYS  61 -11.626 -21.430 -21.430
  476   2HD   LYS  61          3HD       LYS  61 -11.035 -19.901 -19.901
  477   1HE   LYS  61          2HE       LYS  61 -10.102 -19.772 -19.772
  478   2HE   LYS  61          3HE       LYS  61 -11.661 -19.069 -19.069
  479   1HZ   LYS  61          2HZ       LYS  61 -11.958 -21.799 -21.799
  480   2HZ   LYS  61          3HZ       LYS  61 -10.563 -21.456 -21.456
  481   3HZ   LYS  61          1HZ       LYS  61 -11.953 -20.730 -20.730
  482    H    ILE  62           HN       ILE  62 -11.125 -19.920 -19.920
  483    HA   ILE  62           HA       ILE  62 -12.587 -20.363 -20.363
  484    HB   ILE  62           HB       ILE  62  -9.930 -19.056 -19.056
  485   1HG1  ILE  62          2HG1      ILE  62 -11.962 -18.195 -18.195
  486   2HG1  ILE  62          3HG1      ILE  62 -12.301 -17.911 -17.911
  487   1HG2  ILE  62          3HG2      ILE  62  -9.569 -20.910 -20.910
  488   2HG2  ILE  62          1HG2      ILE  62 -10.834 -20.220 -20.220
  489   3HG2  ILE  62          2HG2      ILE  62  -9.343 -19.301 -19.301
  490   1HD1  ILE  62          2HD1      ILE  62  -9.587 -17.157 -17.157
  491   2HD1  ILE  62          3HD1      ILE  62 -10.986 -16.090 -16.090
  492   3HD1  ILE  62          1HD1      ILE  62 -10.463 -16.466 -16.466
  493    H    ARG  63           HN       ARG  63 -12.850 -22.536 -22.536
  494    HA   ARG  63           HA       ARG  63 -10.770 -24.193 -24.193
  495   1HB   ARG  63          2HB       ARG  63 -13.578 -24.689 -24.689
  496   2HB   ARG  63          3HB       ARG  63 -12.484 -26.037 -26.037
  497   1HG   ARG  63          2HG       ARG  63 -12.454 -24.257 -24.257
  498   2HG   ARG  63          3HG       ARG  63 -14.087 -24.781 -24.781
  499   1HD   ARG  63          2HD       ARG  63 -12.902 -27.181 -27.181
  500   2HD   ARG  63          3HD       ARG  63 -11.686 -26.446 -26.446
  501    HE   ARG  63           HE       ARG  63 -14.268 -25.904 -25.904
  502   1HH1  ARG  63          2HH2      ARG  63 -12.047 -28.588 -28.588
  503   2HH1  ARG  63          1HH2      ARG  63 -12.619 -29.483 -29.483
  504   1HH2  ARG  63          2HH1      ARG  63 -15.023 -27.085 -27.085
  505   2HH2  ARG  63          1HH1      ARG  63 -14.323 -28.623 -28.623
  506    H    THR  64           HN       THR  64  -9.873 -26.041 -26.041
  507    HA   THR  64           HA       THR  64  -9.723 -25.296 -25.296
  508    HB   THR  64           HB       THR  64  -7.427 -26.247 -26.247
  509    HG1  THR  64           HG1      THR  64  -7.368 -27.745 -27.745
  510   1HG2  THR  64          3HG2      THR  64  -8.279 -24.103 -24.103
  511   2HG2  THR  64          1HG2      THR  64  -6.674 -24.821 -24.821
  512   3HG2  THR  64          2HG2      THR  64  -7.044 -24.043 -24.043
  513    H    LEU  65           HN       LEU  65  -9.644 -26.983 -26.983
  514    HA   LEU  65           HA       LEU  65 -11.097 -29.338 -29.338
  515   1HB   LEU  65          2HB       LEU  65 -10.812 -28.080 -28.080
  516   2HB   LEU  65          3HB       LEU  65 -11.601 -29.618 -29.618
  517    HG   LEU  65           HG       LEU  65 -12.525 -27.185 -27.185
  518   1HD1  LEU  65          1HD1      LEU  65 -12.370 -27.164 -27.164
  519   2HD1  LEU  65          2HD1      LEU  65 -14.047 -27.657 -27.657
  520   3HD1  LEU  65          3HD1      LEU  65 -13.413 -26.141 -26.141
  521   1HD2  LEU  65          2HD2      LEU  65 -13.308 -29.582 -29.582
  522   2HD2  LEU  65          3HD2      LEU  65 -14.555 -28.332 -28.332
  523   3HD2  LEU  65          1HD2      LEU  65 -14.174 -29.458 -29.458
  524    H    ASP  66           HN       ASP  66 -10.419 -31.468 -31.468
  525    HA   ASP  66           HA       ASP  66  -7.800 -31.971 -31.971
  526   1HB   ASP  66          2HB       ASP  66  -9.877 -33.551 -33.551
  527   2HB   ASP  66          3HB       ASP  66  -8.309 -34.203 -34.203
  528    H    ASN  67           HN       ASN  67  -9.681 -31.894 -31.894
  529    HA   ASN  67           HA       ASN  67  -7.146 -31.352 -31.352
  530   1HB   ASN  67          2HB       ASN  67  -9.327 -33.320 -33.320
  531   2HB   ASN  67          3HB       ASN  67  -8.660 -32.457 -32.457
  532   1HD2  ASN  67          2HD2      ASN  67  -6.697 -35.541 -35.541
  533   2HD2  ASN  67          1HD2      ASN  67  -8.322 -35.068 -35.068
  534    H    GLY  68           HN       GLY  68  -8.145 -29.075 -29.075
  535   1HA   GLY  68          1HA       GLY  68  -9.552 -28.056 -28.056
  536   2HA   GLY  68          2HA       GLY  68 -10.401 -27.917 -27.917
  537    H    GLY  69           HN       GLY  69 -10.187 -25.913 -25.913
  538   1HA   GLY  69          1HA       GLY  69  -7.494 -24.734 -24.734
  539   2HA   GLY  69          2HA       GLY  69  -8.812 -23.808 -23.808
  540    H    PHE  70           HN       PHE  70 -10.189 -22.670 -22.670
  541    HA   PHE  70           HA       PHE  70 -10.293 -23.449 -23.449
  542   1HB   PHE  70          2HB       PHE  70  -9.766 -20.581 -20.581
  543   2HB   PHE  70          3HB       PHE  70  -9.663 -21.170 -21.170
  544    HD1  PHE  70           HD2      PHE  70  -8.055 -21.468 -21.468
  545    HD2  PHE  70           HD1      PHE  70  -7.626 -21.939 -21.939
  546    HE1  PHE  70           HE2      PHE  70  -5.596 -21.870 -21.870
  547    HE2  PHE  70           HE1      PHE  70  -5.166 -22.341 -22.341
  548   1HZ   PHE  70           HZ       PHE  70  -4.180 -22.302 -22.302
  549    H    TYR  71           HN       TYR  71 -12.330 -23.201 -23.201
  550    HA   TYR  71           HA       TYR  71 -14.165 -21.444 -21.444
  551   1HB   TYR  71          2HB       TYR  71 -15.819 -23.268 -23.268
  552   2HB   TYR  71          3HB       TYR  71 -14.353 -23.974 -23.974
  553    HD1  TYR  71           HD2      TYR  71 -12.849 -25.324 -25.324
  554    HD2  TYR  71           HD1      TYR  71 -16.733 -24.003 -24.003
  555    HE1  TYR  71           HE2      TYR  71 -12.859 -27.048 -27.048
  556    HE2  TYR  71           HE1      TYR  71 -16.729 -25.731 -25.731
  557    HH   TYR  71           HH       TYR  71 -15.659 -27.880 -27.880
  558    H    ILE  72           HN       ILE  72 -15.819 -20.459 -20.459
  559    HA   ILE  72           HA       ILE  72 -15.226 -20.551 -20.551
  560    HB   ILE  72           HB       ILE  72 -16.251 -18.443 -18.443
  561   1HG1  ILE  72          2HG1      ILE  72 -14.108 -18.549 -18.549
  562   2HG1  ILE  72          3HG1      ILE  72 -13.867 -18.512 -18.512
  563   1HG2  ILE  72          3HG2      ILE  72 -17.176 -18.903 -18.903
  564   2HG2  ILE  72          1HG2      ILE  72 -16.503 -17.278 -17.278
  565   3HG2  ILE  72          2HG2      ILE  72 -17.843 -17.868 -17.868
  566   1HD1  ILE  72          2HD1      ILE  72 -15.387 -16.281 -16.281
  567   2HD1  ILE  72          3HD1      ILE  72 -14.661 -16.299 -16.299
  568   3HD1  ILE  72          1HD1      ILE  72 -13.617 -16.254 -16.254
  569    H    SER  73           HN       SER  73 -17.869 -20.662 -20.662
  570    HA   SER  73           HA       SER  73 -19.535 -21.771 -21.771
  571   1HB   SER  73          2HB       SER  73 -20.251 -19.535 -19.535
  572   2HB   SER  73          3HB       SER  73 -20.522 -20.397 -20.397
  573    HG   SER  73           HG       SER  73 -22.502 -20.532 -20.532
  574    HA   PRO  74           HA       PRO  74 -19.710 -25.343 -25.343
  575   1HB   PRO  74          2HB       PRO  74 -21.902 -26.592 -26.592
  576   2HB   PRO  74          3HB       PRO  74 -20.317 -26.652 -26.652
  577   1HG   PRO  74          2HG       PRO  74 -22.691 -25.092 -25.092
  578   2HG   PRO  74          3HG       PRO  74 -21.267 -25.498 -25.498
  579   1HD   PRO  74          2HD       PRO  74 -21.864 -22.964 -22.964
  580   2HD   PRO  74          3HD       PRO  74 -20.390 -23.404 -23.404
  581    H    ARG  75           HN       ARG  75 -20.327 -23.368 -23.368
  582    HA   ARG  75           HA       ARG  75 -22.619 -24.502 -24.502
  583   1HB   ARG  75          2HB       ARG  75 -22.182 -21.508 -21.508
  584   2HB   ARG  75          3HB       ARG  75 -23.437 -22.184 -22.184
  585   1HG   ARG  75          2HG       ARG  75 -23.245 -23.151 -23.151
  586   2HG   ARG  75          3HG       ARG  75 -23.910 -21.556 -21.556
  587   1HD   ARG  75          2HD       ARG  75 -25.085 -23.389 -23.389
  588   2HD   ARG  75          3HD       ARG  75 -25.215 -24.101 -24.101
  589    HE   ARG  75           HE       ARG  75 -25.974 -21.258 -21.258
  590   1HH1  ARG  75          2HH2      ARG  75 -27.084 -24.591 -24.591
  591   2HH1  ARG  75          1HH2      ARG  75 -28.731 -24.198 -24.198
  592   1HH2  ARG  75          2HH1      ARG  75 -28.148 -20.739 -20.739
  593   2HH2  ARG  75          1HH1      ARG  75 -29.341 -21.992 -21.992
  594    H    SER  76           HN       SER  76 -20.316 -21.692 -21.692
  595    HA   SER  76           HA       SER  76 -19.543 -22.859 -22.859
  596   1HB   SER  76          2HB       SER  76 -19.872 -19.921 -19.921
  597   2HB   SER  76          3HB       SER  76 -19.109 -20.461 -20.461
  598    HG   SER  76           HG       SER  76 -21.443 -21.785 -21.785
  599    H    THR  77           HN       THR  77 -17.522 -23.736 -23.736
  600    HA   THR  77           HA       THR  77 -15.719 -22.394 -22.394
  601    HB   THR  77           HB       THR  77 -14.470 -24.511 -24.511
  602    HG1  THR  77           HG1      THR  77 -14.790 -25.711 -25.711
  603   1HG2  THR  77          2HG2      THR  77 -17.504 -24.892 -24.892
  604   2HG2  THR  77          3HG2      THR  77 -16.363 -26.226 -26.226
  605   3HG2  THR  77          1HG2      THR  77 -16.398 -24.827 -24.827
  606    H    PHE  78           HN       PHE  78 -13.389 -22.149 -22.149
  607    HA   PHE  78           HA       PHE  78 -13.200 -21.423 -21.423
  608   1HB   PHE  78          2HB       PHE  78 -11.912 -19.975 -19.975
  609   2HB   PHE  78          3HB       PHE  78 -12.021 -19.384 -19.384
  610    HD1  PHE  78           HD1      PHE  78 -14.070 -20.203 -20.203
  611    HD2  PHE  78           HD2      PHE  78 -13.851 -18.082 -18.082
  612    HE1  PHE  78           HE1      PHE  78 -16.190 -18.988 -18.988
  613    HE2  PHE  78           HE2      PHE  78 -15.971 -16.867 -16.867
  614   1HZ   PHE  78           HZ       PHE  78 -17.115 -17.335 -17.335
  615    H    SER  79           HN       SER  79 -11.011 -21.486 -21.486
  616    HA   SER  79           HA       SER  79  -9.491 -23.551 -23.551
  617   1HB   SER  79          2HB       SER  79  -9.056 -22.186 -22.186
  618   2HB   SER  79          3HB       SER  79  -8.217 -23.617 -23.617
  619    HG   SER  79           HG       SER  79 -11.096 -23.517 -23.517
  620    H    THR  80           HN       THR  80  -9.499 -20.076 -20.076
  621    HA   THR  80           HA       THR  80  -6.955 -19.921 -19.921
  622    HB   THR  80           HB       THR  80  -6.031 -18.362 -18.362
  623    HG1  THR  80           HG1      THR  80  -8.739 -18.655 -18.655
  624   1HG2  THR  80          1HG2      THR  80  -7.497 -20.520 -20.520
  625   2HG2  THR  80          2HG2      THR  80  -6.076 -19.594 -19.594
  626   3HG2  THR  80          3HG2      THR  80  -5.925 -20.752 -20.752
  627    H    LEU  81           HN       LEU  81  -6.656 -17.956 -17.956
  628    HA   LEU  81           HA       LEU  81  -9.129 -17.003 -17.003
  629   1HB   LEU  81          2HB       LEU  81  -6.236 -16.360 -16.360
  630   2HB   LEU  81          3HB       LEU  81  -7.541 -15.496 -15.496
  631    HG   LEU  81           HG       LEU  81  -7.376 -18.503 -18.503
  632   1HD1  LEU  81          2HD1      LEU  81  -5.227 -17.169 -17.169
  633   2HD1  LEU  81          3HD1      LEU  81  -6.220 -16.851 -16.851
  634   3HD1  LEU  81          1HD1      LEU  81  -5.869 -18.526 -18.526
  635   1HD2  LEU  81          1HD2      LEU  81  -9.131 -16.482 -16.482
  636   2HD2  LEU  81          2HD2      LEU  81  -9.251 -18.254 -18.254
  637   3HD2  LEU  81          3HD2      LEU  81  -8.340 -17.345 -17.345
  638    H    GLN  82           HN       GLN  82  -6.924 -16.041 -16.041
  639    HA   GLN  82           HA       GLN  82  -7.561 -13.325 -13.325
  640   1HB   GLN  82          2HB       GLN  82  -5.594 -14.442 -14.442
  641   2HB   GLN  82          3HB       GLN  82  -6.706 -15.043 -15.043
  642   1HG   GLN  82          2HG       GLN  82  -5.593 -12.926 -12.926
  643   2HG   GLN  82          3HG       GLN  82  -7.335 -12.755 -12.755
  644   1HE2  GLN  82          2HE2      GLN  82  -4.842 -10.843 -10.843
  645   2HE2  GLN  82          1HE2      GLN  82  -4.320 -12.199 -12.199
  646    H    GLU  83           HN       GLU  83  -9.148 -16.230 -16.230
  647    HA   GLU  83           HA       GLU  83 -10.915 -14.666 -14.666
  648   1HB   GLU  83          2HB       GLU  83 -10.900 -17.643 -17.643
  649   2HB   GLU  83          3HB       GLU  83 -11.964 -16.891 -16.891
  650   1HG   GLU  83          2HG       GLU  83  -8.924 -16.686 -16.686
  651   2HG   GLU  83          3HG       GLU  83  -9.832 -17.964 -17.964
  652    H    LEU  84           HN       LEU  84 -10.763 -15.990 -15.990
  653    HA   LEU  84           HA       LEU  84 -13.595 -15.932 -15.932
  654   1HB   LEU  84          2HB       LEU  84 -12.551 -17.525 -17.525
  655   2HB   LEU  84          3HB       LEU  84 -11.163 -16.514 -16.514
  656    HG   LEU  84           HG       LEU  84 -13.828 -15.734 -15.734
  657   1HD1  LEU  84          2HD1      LEU  84 -13.305 -18.263 -18.263
  658   2HD1  LEU  84          3HD1      LEU  84 -12.095 -17.663 -17.663
  659   3HD1  LEU  84          1HD1      LEU  84 -13.815 -17.261 -17.261
  660   1HD2  LEU  84          1HD2      LEU  84 -10.938 -15.389 -15.389
  661   2HD2  LEU  84          2HD2      LEU  84 -12.149 -14.144 -14.144
  662   3HD2  LEU  84          3HD2      LEU  84 -12.280 -15.071 -15.071
  663    H    VAL  85           HN       VAL  85 -10.793 -13.765 -13.765
  664    HA   VAL  85           HA       VAL  85 -12.286 -11.895 -11.895
  665    HB   VAL  85           HB       VAL  85  -9.582 -12.024 -12.024
  666   1HG1  VAL  85          3HG1      VAL  85 -10.846  -9.521  -9.521
  667   2HG1  VAL  85          1HG1      VAL  85  -9.110  -9.724  -9.724
  668   3HG1  VAL  85          2HG1      VAL  85 -10.285  -9.760  -9.760
  669   1HG2  VAL  85          2HG2      VAL  85 -10.569 -11.577 -11.577
  670   2HG2  VAL  85          3HG2      VAL  85  -9.855 -13.067 -13.067
  671   3HG2  VAL  85          1HG2      VAL  85  -8.859 -11.601 -11.601
  672    H    ASP  86           HN       ASP  86 -11.664 -12.511 -12.511
  673    HA   ASP  86           HA       ASP  86 -12.439  -9.950  -9.950
  674   1HB   ASP  86          2HB       ASP  86 -11.997 -12.645 -12.645
  675   2HB   ASP  86          3HB       ASP  86 -12.913 -11.470 -11.470
  676    H    HIS  87           HN       HIS  87 -14.034 -13.206 -13.206
  677    HA   HIS  87           HA       HIS  87 -16.462 -12.483 -12.483
  678   1HB   HIS  87          2HB       HIS  87 -15.423 -14.794 -14.794
  679   2HB   HIS  87          3HB       HIS  87 -16.268 -14.512 -14.512
  680    HD1  HIS  87           HD1      HIS  87 -18.904 -13.256 -13.256
  681    HD2  HIS  87           HD2      HIS  87 -17.051 -16.677 -16.677
  682    HE1  HIS  87           HE1      HIS  87 -20.727 -14.563 -14.563
  683    H    TYR  88           HN       TYR  88 -15.093 -11.976 -11.976
  684    HA   TYR  88           HA       TYR  88 -17.601 -11.255 -11.255
  685   1HB   TYR  88          2HB       TYR  88 -14.617 -11.236 -11.236
  686   2HB   TYR  88          3HB       TYR  88 -15.649 -10.254 -10.254
  687    HD1  TYR  88           HD1      TYR  88 -18.082 -11.987 -11.987
  688    HD2  TYR  88           HD2      TYR  88 -13.926 -12.979 -12.979
  689    HE1  TYR  88           HE1      TYR  88 -18.636 -14.034 -14.034
  690    HE2  TYR  88           HE2      TYR  88 -14.494 -15.022 -15.022
  691    HH   TYR  88           HH       TYR  88 -16.590 -16.526 -16.526
  692    H    LYS  89           HN       LYS  89 -15.080  -9.639  -9.639
  693    HA   LYS  89           HA       LYS  89 -15.712  -7.022  -7.022
  694   1HB   LYS  89          2HB       LYS  89 -13.963  -8.221  -8.221
  695   2HB   LYS  89          3HB       LYS  89 -14.391  -6.528  -6.528
  696   1HG   LYS  89          2HG       LYS  89 -13.733  -6.545  -6.545
  697   2HG   LYS  89          3HG       LYS  89 -12.749  -7.900  -7.900
  698   1HD   LYS  89          2HD       LYS  89 -11.453  -6.575  -6.575
  699   2HD   LYS  89          3HD       LYS  89 -12.684  -5.335  -5.335
  700   1HE   LYS  89          2HE       LYS  89 -11.599  -4.162  -4.162
  701   2HE   LYS  89          3HE       LYS  89 -12.049  -5.406  -5.406
  702   1HZ   LYS  89          1HZ       LYS  89  -9.945  -6.460  -6.460
  703   2HZ   LYS  89          2HZ       LYS  89  -9.526  -4.891  -4.891
  704   3HZ   LYS  89          3HZ       LYS  89  -9.894  -5.784  -5.784
  705    H    LYS  90           HN       LYS  90 -17.045  -9.280  -9.280
  706    HA   LYS  90           HA       LYS  90 -18.414  -7.202  -7.202
  707   1HB   LYS  90          2HB       LYS  90 -18.124 -10.175 -10.175
  708   2HB   LYS  90          3HB       LYS  90 -19.508  -9.413  -9.413
  709   1HG   LYS  90          2HG       LYS  90 -17.476  -7.705  -7.705
  710   2HG   LYS  90          3HG       LYS  90 -16.622  -9.234  -9.234
  711   1HD   LYS  90          2HD       LYS  90 -17.788 -10.121 -10.121
  712   2HD   LYS  90          3HD       LYS  90 -19.298  -9.370  -9.370
  713   1HE   LYS  90          2HE       LYS  90 -17.492  -7.252  -7.252
  714   2HE   LYS  90          3HE       LYS  90 -17.389  -8.476  -8.476
  715   1HZ   LYS  90          2HZ       LYS  90 -19.973  -7.533  -7.533
  716   2HZ   LYS  90          3HZ       LYS  90 -19.194  -6.771  -6.771
  717   3HZ   LYS  90          1HZ       LYS  90 -19.661  -8.326  -8.326
  718    H    GLY  91           HN       GLY  91 -18.976  -9.465  -9.465
  719   1HA   GLY  91          1HA       GLY  91 -21.201  -8.028  -8.028
  720   2HA   GLY  91          2HA       GLY  91 -21.774  -9.417  -9.417
  721    H    ASN  92           HN       ASN  92 -21.953  -8.881  -8.881
  722    HA   ASN  92           HA       ASN  92 -20.095 -10.186 -10.186
  723   1HB   ASN  92          2HB       ASN  92 -22.232 -10.797 -10.797
  724   2HB   ASN  92          3HB       ASN  92 -21.757  -9.120  -9.120
  725   1HD2  ASN  92          2HD2      ASN  92 -25.417 -10.270 -10.270
  726   2HD2  ASN  92          1HD2      ASN  92 -24.311 -11.077 -11.077
  727    H    ASP  93           HN       ASP  93 -23.094 -11.482 -11.482
  728    HA   ASP  93           HA       ASP  93 -23.822 -13.522 -13.522
  729   1HB   ASP  93          2HB       ASP  93 -22.185 -13.369 -13.369
  730   2HB   ASP  93          3HB       ASP  93 -20.882 -13.846 -13.846
  731    H    GLY  94           HN       GLY  94 -23.295 -13.146 -13.146
  732   1HA   GLY  94          1HA       GLY  94 -23.463 -15.393 -15.393
  733   2HA   GLY  94          2HA       GLY  94 -21.758 -15.483 -15.483
  734    H    LEU  95           HN       LEU  95 -20.789 -12.925 -12.925
  735    HA   LEU  95           HA       LEU  95 -20.607 -12.657 -12.657
  736   1HB   LEU  95          2HB       LEU  95 -19.838 -10.793 -10.793
  737   2HB   LEU  95          3HB       LEU  95 -19.406 -10.545 -10.545
  738    HG   LEU  95           HG       LEU  95 -18.569 -12.909 -12.909
  739   1HD1  LEU  95          1HD1      LEU  95 -17.593 -10.350 -10.350
  740   2HD1  LEU  95          2HD1      LEU  95 -16.497 -11.108 -11.108
  741   3HD1  LEU  95          3HD1      LEU  95 -16.698 -11.825 -11.825
  742   1HD2  LEU  95          1HD2      LEU  95 -18.810 -13.546 -13.546
  743   2HD2  LEU  95          2HD2      LEU  95 -17.094 -13.496 -13.496
  744   3HD2  LEU  95          3HD2      LEU  95 -17.791 -12.173 -12.173
  745    H    CYS  96           HN       CYS  96 -20.993 -10.341 -10.341
  746    HA   CYS  96           HA       CYS  96 -23.809 -10.008 -10.008
  747   1HB   CYS  96          2HB       CYS  96 -23.475  -8.416  -8.416
  748   2HB   CYS  96          3HB       CYS  96 -22.485  -9.833  -9.833
  749    HG   CYS  96           HG       CYS  96 -20.692  -8.338  -8.338
  750    H    GLN  97           HN       GLN  97 -20.921  -8.388  -8.388
  751    HA   GLN  97           HA       GLN  97 -22.665  -6.846  -6.846
  752   1HB   GLN  97          2HB       GLN  97 -20.592  -5.494  -5.494
  753   2HB   GLN  97          3HB       GLN  97 -21.491  -4.696  -4.696
  754   1HG   GLN  97          2HG       GLN  97 -23.641  -5.328  -5.328
  755   2HG   GLN  97          3HG       GLN  97 -22.693  -6.010  -6.010
  756   1HE2  GLN  97          2HE2      GLN  97 -21.581  -2.945  -2.945
  757   2HE2  GLN  97          1HE2      GLN  97 -21.235  -4.630  -4.630
  758    H    LYS  98           HN       LYS  98 -21.668  -6.261  -6.261
  759    HA   LYS  98           HA       LYS  98 -19.661  -7.927  -7.927
  760   1HB   LYS  98          2HB       LYS  98 -19.753  -6.712  -6.712
  761   2HB   LYS  98          3HB       LYS  98 -21.371  -6.648  -6.648
  762   1HG   LYS  98          2HG       LYS  98 -20.277  -4.400  -4.400
  763   2HG   LYS  98          3HG       LYS  98 -19.374  -4.453  -4.453
  764   1HD   LYS  98          2HD       LYS  98 -21.275  -3.194  -3.194
  765   2HD   LYS  98          3HD       LYS  98 -21.701  -4.801  -4.801
  766   1HE   LYS  98          2HE       LYS  98 -23.274  -5.133  -5.133
  767   2HE   LYS  98          3HE       LYS  98 -22.442  -4.083  -4.083
  768   1HZ   LYS  98          2HZ       LYS  98 -23.263  -2.600  -2.600
  769   2HZ   LYS  98          3HZ       LYS  98 -24.544  -3.429  -3.429
  770   3HZ   LYS  98          1HZ       LYS  98 -23.705  -2.425  -2.425
  771    H    LEU  99           HN       LEU  99 -17.482  -7.162  -7.162
  772    HA   LEU  99           HA       LEU  99 -16.137  -5.715  -5.715
  773   1HB   LEU  99          2HB       LEU  99 -15.192  -7.585  -7.585
  774   2HB   LEU  99          3HB       LEU  99 -14.085  -6.636  -6.636
  775    HG   LEU  99           HG       LEU  99 -15.867  -8.909  -8.909
  776   1HD1  LEU  99          1HD1      LEU  99 -12.947  -8.327  -8.327
  777   2HD1  LEU  99          2HD1      LEU  99 -13.548  -9.345  -9.345
  778   3HD1  LEU  99          3HD1      LEU  99 -13.837  -9.827  -9.827
  779   1HD2  LEU  99          2HD2      LEU  99 -14.953  -6.617  -6.617
  780   2HD2  LEU  99          3HD2      LEU  99 -16.468  -7.550  -7.550
  781   3HD2  LEU  99          1HD2      LEU  99 -14.966  -8.255  -8.255
  782    H    SER 100           HN       SER 100 -15.269  -3.705  -3.705
  783    HA   SER 100           HA       SER 100 -15.717  -2.516  -2.516
  784   1HB   SER 100          2HB       SER 100 -15.153  -0.363  -0.363
  785   2HB   SER 100          3HB       SER 100 -16.651  -1.178  -1.178
  786    HG   SER 100           HG       SER 100 -15.692  -2.060  -2.060
  787    H    VAL 101           HN       VAL 101 -13.179  -2.177  -2.177
  788    HA   VAL 101           HA       VAL 101 -11.153  -2.549  -2.549
  789    HB   VAL 101           HB       VAL 101  -9.891  -0.647  -0.647
  790   1HG1  VAL 101          1HG1      VAL 101 -12.248  -0.551  -0.551
  791   2HG1  VAL 101          2HG1      VAL 101 -12.218   0.920   0.920
  792   3HG1  VAL 101          3HG1      VAL 101 -10.834   0.529   0.529
  793   1HG2  VAL 101          1HG2      VAL 101 -11.084  -0.761  -0.761
  794   2HG2  VAL 101          2HG2      VAL 101 -10.678   0.844   0.844
  795   3HG2  VAL 101          3HG2      VAL 101 -12.346   0.234   0.234
  796    HA   PRO 102           HA       PRO 102  -9.352  -4.972  -4.972
  797   1HB   PRO 102          2HB       PRO 102  -6.745  -5.053  -5.053
  798   2HB   PRO 102          3HB       PRO 102  -8.002  -6.048  -6.048
  799   1HG   PRO 102          2HG       PRO 102  -6.696  -3.641  -3.641
  800   2HG   PRO 102          3HG       PRO 102  -7.621  -4.873  -4.873
  801   1HD   PRO 102          2HD       PRO 102  -8.514  -2.240  -2.240
  802   2HD   PRO 102          3HD       PRO 102  -9.474  -3.512  -3.512
  803    H    CYS 103           HN       CYS 103  -7.914  -5.126  -5.126
  804    HA   CYS 103           HA       CYS 103  -7.970  -2.849  -2.849
  805   1HB   CYS 103          2HB       CYS 103  -7.355  -5.342  -5.342
  806   2HB   CYS 103          3HB       CYS 103  -5.706  -4.786  -4.786
  807    HG   CYS 103           HG       CYS 103  -5.490  -3.352  -3.352
  808    H    MET 104           HN       MET 104  -6.009  -1.522  -1.522
  809    HA   MET 104           HA       MET 104  -4.497  -0.763  -0.763
  810   1HB   MET 104          2HB       MET 104  -5.115   0.565   0.565
  811   2HB   MET 104          3HB       MET 104  -3.934   1.247   1.247
  812   1HG   MET 104          2HG       MET 104  -6.200   0.708   0.708
  813   2HG   MET 104          3HG       MET 104  -6.861   1.357   1.357
  814   1HE   MET 104          2HE       MET 104  -3.799   1.575   1.575
  815   2HE   MET 104          3HE       MET 104  -4.735   2.489   2.489
  816   3HE   MET 104          1HE       MET 104  -3.477   3.308   3.308
  817    H    SER 105           HN       SER 105  -2.150  -0.110  -0.110
  818    HA   SER 105           HA       SER 105  -0.942  -1.701  -1.701
  819   1HB   SER 105          2HB       SER 105  -0.477  -1.798  -1.798
  820   2HB   SER 105          3HB       SER 105   0.959  -1.866  -1.866
  821    HG   SER 105           HG       SER 105   0.368  -3.988  -3.988
  822    H    SER 106           HN       SER 106   1.161  -0.882  -0.882
  823    HA   SER 106           HA       SER 106   1.895   1.706   1.706
  824   1HB   SER 106          2HB       SER 106   0.757   1.194   1.194
  825   2HB   SER 106          3HB       SER 106   2.164   2.238   2.238
  826    HG   SER 106           HG       SER 106   0.977   3.814   3.814
  827    H    LYS 107           HN       LYS 107   4.143   2.200   2.200
  828    HA   LYS 107           HA       LYS 107   5.657  -0.028  -0.028
  829   1HB   LYS 107          2HB       LYS 107   7.362   0.319   0.319
  830   2HB   LYS 107          3HB       LYS 107   5.831   0.152   0.152
  831   1HG   LYS 107          2HG       LYS 107   5.691   2.483   2.483
  832   2HG   LYS 107          3HG       LYS 107   6.851   2.908   2.908
  833   1HD   LYS 107          2HD       LYS 107   8.705   2.131   2.131
  834   2HD   LYS 107          3HD       LYS 107   7.695   1.150   1.150
  835   1HE   LYS 107          2HE       LYS 107   7.026   4.052   4.052
  836   2HE   LYS 107          3HE       LYS 107   8.632   3.680   3.680
  837   1HZ   LYS 107          3HZ       LYS 107   6.223   2.281   2.281
  838   2HZ   LYS 107          1HZ       LYS 107   6.852   3.584   3.584
  839   3HZ   LYS 107          2HZ       LYS 107   7.719   2.204   2.204