*HEADER    COMPLEX (TOXIN/PEPTIDE)                 23-AUG-98   1BXP      
*TITLE     SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA-BUNGAROTOXIN   
*TITLE    2 WITH A LIBRARY DERIVED PEPTIDE, 20 STRUCTURES                
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: ALPHA-BUNGAROTOXIN;                                
*COMPND   3 CHAIN: A;                                                    
*COMPND   4 BIOLOGICAL_UNIT: MONOMER;                                    
*COMPND   5 MOL_ID: 2;                                                   
*COMPND   6 MOLECULE: PEPTIDE                                            
*COMPND   7 MET-ARG-TYR-TYR-GLU-SER-SER-LEU-LYS-SER-TYR-PRO-ASP;         
*COMPND   8 CHAIN: B;                                                    
*COMPND   9 ENGINEERED: YES                                              
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS;                  
*SOURCE   3 ORGANISM_COMMON: SNAKE, MANY-BANDED KRAIT;                   
*SOURCE   4 SECRETION: VENOM;                                            
*SOURCE   5 MOL_ID: 2;                                                   
*SOURCE   6 SYNTHETIC: DERIVED FROM A PHAGE-DISPLAYED PEPTIDE LIBRARY    
*KEYWDS    COMPLEX (TOXIN/PEPTIDE), ALPHA-BUNGAROTOXIN, LIBRARY PEPTIDE  
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    T.SCHERF,M.BALASS,S.FUCHS,E.KATCHALSKI-KATZIR,J.ANGLISTER     
*REVDAT   1   12-OCT-04 1BXP    0   

!A LIST OF ALL NMR CONSTRAINTS USED TO CALCULATE THE THREE-DIMENSIONAL SOLUTION 
!STRUCTURE OF THE COMPLEX OF a-BUNGAROTOXIN WITH A LIBRARY-DERIVED PEPTIDE.
!THESE CONSTRAINTS CONSISTED OF 941 INTRAMOLECULAR         
!CONSTRAINTS WITHIN THE BOUND TOXIN (INCLUDING 291 LONG-RANGE    
!INTERACTIONS), 98 INTRAPEPTIDE INTERACTIONS (INCLUDING 7 LONG-   
!RANGE INTERACTIONS), AND 62 INTERMOLECULAR CONSTRAINTS BETWEEN      
!THE BUNGAROTOXIN AND THE 13-RESIDUE PEPTIDE USED IN THIS     
!STUDY (LISTED HERE AS RESIDUES 75 - 87).  

!NOE DISTANCE CONSTRAINTS

assign (resid  1  and name  HA   )(resid    1  and name   HD1# )  4.0 2.2 1.0 
assign (resid  1  and name  HA   )(resid    1  and name   HG1# )  4.0 2.2 1.0 
assign (resid  1  and name  HA   )(resid    1  and name   HG2# )  4.0 2.2 1.0 
assign (resid  1  and name  HA   )(resid    1  and name   HB   )  3.0 1.2 0.5 
assign (resid  1  and name  HB   )(resid    1  and name   HD1# )  4.0 2.2 1.0 
assign (resid  1  and name  HB   )(resid    1  and name   HG1# )  4.0 2.2 1.0 
assign (resid  1  and name  HB   )(resid    1  and name   HG2# )  4.0 2.2 1.0
assign (resid  1  and name  HD1# )(resid    2  and name   HN   )  4.0 1.2 1.0
assign (resid  1  and name  HG1# )(resid    2  and name   HN   )  3.0 1.2 1.0 
assign (resid  1  and name  HG2# )(resid    2  and name   HN   )  4.0 2.2 1.0 
assign (resid  1  and name  HA   )(resid    2  and name   HN   )  3.0 1.2 0.5
assign (resid  1  and name  HB   )(resid    2  and name   HA   )  4.0 2.2 1.0
assign (resid  1  and name  HB   )(resid    2  and name   HN   )  3.0 1.2 0.5
assign (resid  1  and name  HD1# )(resid   22  and name   HN   )  4.0 2.2 1.0
assign (resid  1  and name  HD1# )(resid   62  and name   HN   )  4.0 2.2 1.0
assign (resid  1  and name  HD1# )(resid   62  and name   HA   )  4.0 2.2 1.0 
assign (resid  2  and name  HG1# )(resid    2  and name   HN   )  4.0 2.2 1.0 
assign (resid  2  and name  HG2# )(resid    2  and name   HN   )  3.0 1.2 1.0
assign (resid  2  and name  HA   )(resid    2  and name   HG1# )  2.5 0.7 0.7 
assign (resid  2  and name  HA   )(resid    2  and name   HG2# )  2.5 0.7 0.7
assign (resid  2  and name  HA   )(resid    2  and name   HB   )  4.0 2.2 1.0
assign (resid  2  and name  HA   )(resid    2  and name   HN   )  4.0 2.2 1.0
assign (resid  2  and name  HB   )(resid    2  and name   HG1# )  4.0 2.2 1.0
assign (resid  2  and name  HB   )(resid    2  and name   HG2# )  4.0 2.2 1.0
assign (resid  2  and name  HB   )(resid    2  and name   HN   )  3.0 1.2 0.5
assign (resid  2  and name  HG1# )(resid    3  and name   HN   )  3.0 1.2 1.0
assign (resid  2  and name  HG2# )(resid    3  and name   HN   )  3.0 1.2 1.0
assign (resid  2  and name  HA   )(resid    3  and name   HA   )  4.0 2.2 1.0 
assign (resid  2  and name  HA   )(resid    3  and name   HN   )  2.5 0.7 0.2
assign (resid  2  and name  HB   )(resid    3  and name   HN   )  3.0 1.2 0.5
assign (resid  2  and name  HG1# )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid  2  and name  HA   )(resid   15  and name   HA   )  3.0 1.2 0.5
assign (resid  2  and name  HG#  )(resid   15  and name   HG2# )  4.0 2.2 1.5 
assign (resid  2  and name  HG#  )(resid   15  and name   HN   )  4.0 2.2 1.0 
assign (resid  2  and name  HG1# )(resid   16  and name   HN   )  4.0 2.2 1.0 
assign (resid  2  and name  HG2# )(resid   16  and name   HN   )  4.0 2.2 1.0 
assign (resid  2  and name  HA   )(resid   16  and name   HN   )  3.0 1.2 0.5
assign (resid  2  and name  HN   )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid  2  and name  HG1# )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid  2  and name  HG2# )(resid   64  and name   HN   )  4.0 2.2 1.0 
assign (resid  3  and name  HN   )(resid    3  and name   HA   )  3.0 1.2 0.5
assign (resid  3  and name  HN   )(resid    3  and name   HB1  )  3.0 1.2 0.5
assign (resid  3  and name  HN   )(resid    3  and name   HB2  )  3.0 1.2 0.5
assign (resid  3  and name  HA   )(resid    4  and name   HN   )  3.0 1.2 0.5
assign (resid  3  and name  HB1  )(resid    4  and name   HN   )  3.0 1.2 0.5
assign (resid  3  and name  HB2  )(resid    4  and name   HN   )  3.0 1.2 0.5
assign (resid  3  and name  HN   )(resid    4  and name   HN   )  4.0 2.2 1.0
assign (resid  3  and name  HN   )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid  3  and name  HN   )(resid   14  and name   O    )  2.1 0.6 0.2
assign (resid  3  and name  N    )(resid   14  and name   O    )  3.1 0.6 0.2
assign (resid  3  and name  HN   )(resid   15  and name   HG2# )  4.0 2.2 1.0
assign (resid  3  and name  HN   )(resid   15  and name   HA   )  4.0 2.2 1.0
assign (resid  3  and name  CB   )(resid   23  and name   SG   )  3.0 0.1 0.1
assign (resid  3  and name  HB1  )(resid   23  and name   HA   )  4.0 2.2 1.0
assign (resid  3  and name  HB2  )(resid   23  and name   HA   )  4.0 2.2 1.0
assign (resid  3  and name  SG   )(resid   23  and name   CB   )  3.0 0.1 0.1
assign (resid  3  and name  SG   )(resid   23  and name   SG   )  2.0 0.1 0.1
assign (resid  3  and name  HB2  )(resid   44  and name   HA   )  4.0 2.2 1.0
assign (resid  3  and name  HB2  )(resid   44  and name   HA   )  4.0 2.2 1.0 
assign (resid  3  and name  HA   )(resid   64  and name   HA   )  4.0 2.2 1.0 
assign (resid  3  and name  HA   )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid  3  and name  HB1  )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid  3  and name  HB1  )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid  4  and name  HN   )(resid    4  and name   HA   )  3.0 1.2 0.5
assign (resid  4  and name  HA   )(resid    4  and name   HB2  )  2.5 0.7 0.2
assign (resid  4  and name  HA   )(resid    4  and name   HB1  )  3.0 1.2 0.5 
assign (resid  4  and name  HN   )(resid    4  and name   HB1  )  3.0 1.2 0.5
assign (resid  4  and name  HN   )(resid    4  and name   HB2  )  3.0 1.2 0.5 
assign (resid  4  and name  HN   )(resid    4  and name   HD2  )  3.0 1.2 0.5
assign (resid  4  and name  HA   )(resid    5  and name   HN   )  3.0 1.2 0.5
assign (resid  4  and name  HB1  )(resid    5  and name   HN   )  3.0 1.2 0.5
assign (resid  4  and name  HB2  )(resid    5  and name   HN   )  3.0 1.2 0.5
assign (resid  4  and name  HN   )(resid    5  and name   HN   )  4.0 2.2 1.0
assign (resid  4  and name  HA   )(resid   11  and name   HD1# )  4.0 2.2 1.5 
assign (resid  4  and name  HA   )(resid   11  and name   HG1# )  4.0 2.2 1.0 
assign (resid  4  and name  HA   )(resid   11  and name   HG2# )  4.0 2.2 1.5 
assign (resid  4  and name  HA   )(resid   13  and name   HA   )  4.0 2.2 1.0
assign (resid  4  and name  HD2  )(resid   13  and name   HB#  )  4.0 2.2 1.0
assign (resid  4  and name  HB1  )(resid   13  and name   HA   )  4.0 2.2 1.0
assign (resid  4  and name  HB2  )(resid   13  and name   HA   )  4.0 2.2 1.0
assign (resid  4 and name   HB1  )(resid   13   and name  HA   )  4.0 2.2 1.0  !
assign (resid  4 and name   HB2  )(resid   13   and name  HA   )  4.0 2.2 1.0
assign (resid  4  and name  HA   )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid  4  and name  HN   )(resid   24  and name   HN   )  4.0 2.2 1.0 
assign (resid  4  and name  HD2  )(resid   42  and name   HD#  )  4.0 2.2 1.5 
assign (resid  4  and name  HN   )(resid   42  and name   HD1# )  4.0 2.2 1.5 
assign (resid  4  and name  HN   )(resid   42  and name   HD2# )  4.0 2.2 1.5 
assign (resid  4  and name  HD2  )(resid   64  and name   HA   )  4.0 2.2 1.0 
assign (resid  4  and name  HE1  )(resid   64  and name   HB#  )  4.0 2.2 1.0
assign (resid  4  and name  HN   )(resid   64  and name   HA   )  4.0 2.2 1.0
assign (resid  4  and name  HD2  )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid  4  and name  HD2  )(resid   66  and name   HN   )  4.0 2.2 1.0
assign (resid  4  and name  HN   )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid  4  and name  HN   )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid  4  and name  HD2  )(resid   67  and name   HA   )  4.0 2.2 1.0
assign (resid  4  and name  HD2  )(resid   68  and name   HN   )  4.0 2.2 1.0 
assign (resid  4  and name  HD2  )(resid   68  and name   HD2  )  4.0 2.2 1.0 
assign (resid  5  and name  HG2# )(resid    5  and name   HA   )  3.0 1.2 1.0
assign (resid  5  and name  HG2# )(resid    5  and name   HN   )  3.0 1.2 1.0
assign (resid  5  and name  HG1  )(resid    5  and name   HN   )  3.0 1.2 0.5
assign (resid  5  and name  HA   )(resid    5  and name   HB   )  2.5 0.7 0.2
assign (resid  5  and name  HA   )(resid    5  and name   HN   )  4.0 2.2 1.0
assign (resid  5  and name  HB   )(resid    5  and name   HN   )  3.0 1.2 0.5
assign (resid  5  and name  HG2# )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HG2# )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HA   )(resid    6  and name   HN   )  3.0 1.2 0.5 
assign (resid  5  and name  HA   )(resid    6  and name   HG2# )  4.0 2.2 1.0 
assign (resid  5  and name  HB   )(resid    6  and name   HG1  )  4.0 2.2 1.0 
assign (resid  5  and name  HA   )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HB   )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HB   )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HG2# )(resid    7  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HA   )(resid    7  and name   HB#  )  3.0 1.2 1.0 
assign (resid  5  and name  HA   )(resid    7  and name   HN   )  4.0 2.2 1.0
assign (resid  5  and name  HB   )(resid    7  and name   HN   )  3.0 1.2 0.5 
assign (resid  5  and name  HG1  )(resid    7  and name   HB#  )  4.0 2.2 1.0 
assign (resid  5  and name  HG1  )(resid    7  and name   HA   )  4.0 2.2 1.0
assign (resid  5  and name  HG2# )(resid    8  and name   HN   )  4.0 2.2 1.0 
assign (resid  5  and name  HN   )(resid   11  and name   HN   )  4.0 2.2 1.0
assign (resid  5  and name  HG2# )(resid   12  and name   HN   )  3.0 1.2 1.0
assign (resid  5  and name  HN   )(resid   12  and name   O    )  2.1 0.6 0.2
assign (resid  5  and name  N    )(resid   12  and name   O    )  3.1 0.6 0.2
assign (resid  5  and name  HN   )(resid   12  and name   HN   )  4.0 2.2 1.0
assign (resid  5  and name  HN   )(resid   13  and name   HB#  )  4.0 2.2 1.0
assign (resid  5  and name  HN   )(resid   13  and name   HA   )  4.0 2.2 1.0
assign (resid  5  and name  HG2# )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid  5 and name   HA   )(resid   42   and name  HN   )  4.0 2.2 1.0
assign (resid  5  and name  HA   )(resid   43  and name   HA1  )  3.0 1.2 0.5
assign (resid  5  and name  HA   )(resid   43  and name   HA2  )  3.0 1.2 0.5
assign (resid  6  and name  HA   )(resid    6  and name   HB   )  3.0 1.2 0.5 
assign (resid  6  and name  HG2# )(resid    6  and name   HA   )  3.0 1.2 1.0 
assign (resid  6  and name  HG2# )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  6  and name  HG1  )(resid    6  and name   HN   )  4.0 2.2 1.0 
assign (resid  6  and name  HG2# )(resid    7  and name   HN   )  4.0 2.2 1.0 
assign (resid  6  and name  HG2# )(resid    7  and name   HN   )  4.0 2.2 1.0 
assign (resid  6  and name  HG1  )(resid    7  and name   HB#  )  4.0 2.2 1.0 
assign (resid  6  and name  HG1  )(resid    7  and name   HA   )  4.0 2.2 1.0 
assign (resid  6  and name  HN   )(resid    7  and name   HN   )  4.0 2.2 1.0
assign (resid  6  and name  HN   )(resid    7  and name   HN   )  4.0 2.2 1.0
assign (resid  6  and name  HG1  )(resid    7  and name   HN   )  4.0 2.2 1.0 
assign (resid  6  and name  HG2# )(resid   11  and name   HD1# )  4.0 2.2 1.0 
assign (resid  6  and name  HG2# )(resid   11  and name   HG1# )  4.0 2.2 1.0 
assign (resid  6  and name  HG2# )(resid   11  and name   HG2# )  4.0 2.2 1.0 
assign (resid  6  and name  HA   )(resid   11  and name   HD1# )  4.0 2.2 1.0 
assign (resid  6  and name  HA   )(resid   11  and name   HG2# )  4.0 2.2 1.0 
assign (resid  6  and name  HA   )(resid   11  and name   HA   )  4.0 2.2 1.0
assign (resid  6  and name  HG2# )(resid   12  and name   HN   )  4.0 2.2 1.0  
assign (resid  6  and name  HG2# )(resid   41  and name   HA   )  3.0 1.2 1.0 
assign (resid  6  and name  HB   )(resid   41  and name   HA   )  4.0 2.2 1.0 
assign (resid  6  and name  HB   )(resid   41  and name   HB1  )  4.0 2.2 1.0 
assign (resid  6  and name  HB   )(resid   41  and name   HB2  )  4.0 2.2 1.0 
assign (resid  6  and name  HG1  )(resid   41  and name   HA   )  4.0 2.2 1.0 
assign (resid  6  and name  HG2# )(resid   41  and name   HN   )  4.0 2.2 1.0
assign (resid  6 and name   HA   )(resid   41   and name  HA   )  4.0 2.2 1.0
assign (resid  6 and name   HG1  )(resid   42   and name  HN   )  4.0 2.2 1.0
assign (resid  6 and name   HB   )(resid   42   and name  HN   )  4.0 2.2 1.0
assign (resid  6 and name   HG2# )(resid   42   and name  HN   )  4.0 2.2 1.0
assign (resid  6 and name   HN   )(resid   42   and name  HN   )  4.0 2.2 1.0
assign (resid  6  and name  HG2# )(resid   68  and name   HD2  )  4.0 2.2 1.0 
assign (resid  7  and name  HB#  )(resid    7  and name   HN   )  4.0 2.2 1.0
assign (resid  7  and name  HA   )(resid    7  and name   HN   )  3.0 1.2 0.5
assign (resid  7  and name  HB#  )(resid    8  and name   HN   )  3.0 1.2 0.5
assign (resid  7  and name  HB#  )(resid    8  and name   HN   )  4.0 2.2 1.0 
assign (resid  7  and name  HA   )(resid    8  and name   HN   )  4.0 2.2 1.0 
assign (resid  7  and name  HN   )(resid    8  and name   HN   )  3.0 1.2 0.5
assign (resid  7  and name  HB#  )(resid   28  and name   HE1  )  4.0 2.2 1.0
assign (resid  8  and name  HA   )(resid    8  and name   HB   )  4.0 2.2 1.0 
assign (resid  8  and name  HA   )(resid    8  and name   HN   )  4.0 2.2 1.0
assign (resid  8  and name  HG2# )(resid    9  and name   HN   )  4.0 2.2 1.0
assign (resid  8  and name  HA   )(resid    9  and name   HN   )  3.0 1.2 0.5
assign (resid  8  and name  HB   )(resid    9  and name   HN   )  3.0 1.2 0.5
assign (resid  8  and name  HN   )(resid    9  and name   HN   )  4.0 2.2 1.0
assign (resid  9  and name  HA   )(resid    9  and name   HN   )  4.0 2.2 1.0
assign (resid  9  and name  HB1  )(resid    9  and name   HN   )  4.0 2.2 1.0
assign (resid  9  and name  HB2  )(resid    9  and name   HN   )  4.0 2.2 1.0
assign (resid 10  and name  HA   )(resid   10  and name   HB1  )  4.0 2.2 1.0
assign (resid 10  and name  HA   )(resid   10  and name   HB2  )  4.0 2.2 1.0
assign (resid 10  and name  HG1  )(resid   10  and name   HD1  )  4.0 2.2 1.0
assign (resid 10  and name  HG1  )(resid   10  and name   HD2  )  4.0 2.2 1.0
assign (resid 10  and name  HG2  )(resid   10  and name   HD1  )  4.0 2.2 1.0
assign (resid 10  and name  HG2  )(resid   10  and name   HD2  )  4.0 2.2 1.0
assign (resid 10  and name  HB1  )(resid   10  and name   HD1  )  4.0 2.2 1.0
assign (resid 10  and name  HB1  )(resid   10  and name   HD2  )  4.0 2.2 1.0
assign (resid 10  and name  HB2  )(resid   10  and name   HD1  )  4.0 2.2 1.0
assign (resid 10  and name  HB2  )(resid   10  and name   HD2  )  4.0 2.2 1.0
assign (resid 10  and name  HG#  )(resid   11  and name   HN   )  4.0 2.2 1.0
assign (resid 10  and name  HA   )(resid   11  and name   HN   )  3.0 1.2 0.5
assign (resid 10  and name  HB1  )(resid   11  and name   HN   )  3.0 1.2 0.5
assign (resid 10  and name  HB2  )(resid   11  and name   HN   )  3.0 1.2 0.5
assign (resid 11  and name  HG1# )(resid   11  and name   HD1# )  4.0 2.2 1.0
assign (resid 11  and name  HG1# )(resid   11  and name   HG2# )  4.0 2.2 1.0 
assign (resid 11  and name  HG1# )(resid   11  and name   HN   )  4.0 2.2 1.0
assign (resid 11  and name  HG2# )(resid   11  and name   HN   )  4.0 2.2 1.0
assign (resid 11  and name  HA   )(resid   11  and name   HD1# )  4.0 2.2 1.0
assign (resid 11  and name  HA   )(resid   11  and name   HG1# )  4.0 2.2 1.0 
assign (resid 11  and name  HA   )(resid   11  and name   HG2# )  4.0 2.2 1.0 
assign (resid 11  and name  HA   )(resid   11  and name   HB   )  4.0 2.2 1.0
assign (resid 11  and name  HA   )(resid   11  and name   HN   )  3.0 1.2 0.5
assign (resid 11  and name  HB   )(resid   11  and name   HD1# )  4.0 2.2 1.0
assign (resid 11  and name  HB   )(resid   11  and name   HG2# )  4.0 2.2 1.0 
assign (resid 11  and name  HB   )(resid   11  and name   HN   )  2.5 0.7 0.2
assign (resid 11  and name  HD1# )(resid   12  and name   HN   )  4.0 2.2 1.0
assign (resid 11  and name  HG1# )(resid   12  and name   HN   )  2.5 0.7 0.7
assign (resid 11  and name  HG2# )(resid   12  and name   HN   )  4.0 2.2 1.0
assign (resid 11  and name  HA   )(resid   12  and name   HN   )  3.0 1.2 0.5
assign (resid 11  and name  HB   )(resid   12  and name   HN   )  4.0 2.2 1.0
assign (resid 11  and name  HN   )(resid   12  and name   HN   )  4.0 2.2 1.0
assign (resid 11  and name  HD1# )(resid   68  and name   HD2  )  4.0 2.2 1.0  
assign (resid 11  and name  HD1# )(resid   68  and name   HN   )  4.0 2.2 1.0  
assign (resid 11  and name  HD1# )(resid   68  and name   HB#  )  4.0 2.2 1.0 
assign (resid 11  and name  HG2# )(resid   68  and name   HD2  )  4.0 2.2 1.0
assign (resid 11  and name  HD1# )(resid   71  and name   HE21 )  4.0 2.2 1.0  
assign (resid 11  and name  HD1# )(resid   71  and name   HE22 )  4.0 2.2 1.0  
assign (resid 12  and name  HB#  )(resid   12  and name   HN   )  3.0 1.2 0.5
assign (resid 12  and name  HA   )(resid   12  and name   HB1  )  2.5 0.7 0.2
assign (resid 12  and name  HA   )(resid   12  and name   HB2  )  2.5 0.7 0.2
assign (resid 12  and name  HA   )(resid   12  and name   HN   )  4.0 2.2 1.0
assign (resid 12  and name  HB#  )(resid   13  and name   HN   )  3.0 1.2 0.5
assign (resid 12  and name  HA   )(resid   13  and name   HN   )  3.0 1.2 0.5
assign (resid 12  and name  HN   )(resid   13  and name   HN   )  4.0 2.2 1.0
assign (resid 12  and name  HN   )(resid   13  and name   HA   )  4.0 2.2 1.0
assign (resid 13  and name  HB#  )(resid   13  and name   HN   )  3.0 1.2 0.5
assign (resid 13  and name  HA   )(resid   13  and name   HB#  )  2.5 0.7 0.2 
assign (resid 13  and name  HA   )(resid   13  and name   HN   )  4.0 2.2 1.0
assign (resid 13  and name  HB#  )(resid   14  and name   HN   )  3.0 1.2 0.5
assign (resid 13  and name  HA   )(resid   14  and name   HN   )  2.5 0.7 0.2
assign (resid 13  and name  HN   )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid 13  and name  HB#  )(resid   15  and name   HN   )  4.0 2.2 1.0
assign (resid 14  and name  HG#  )(resid   14  and name   HN   )  3.0 1.2 1.0 
assign (resid 14  and name  HA   )(resid   14  and name   HG1# )  4.0 2.2 1.0
assign (resid 14  and name  HA   )(resid   14  and name   HG2# )  4.0 2.2 1.0
assign (resid 14  and name  HA   )(resid   14  and name   HB   )  3.0 1.2 0.5
assign (resid 14  and name  HA   )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid 14  and name  HB   )(resid   14  and name   HN   )  4.0 2.2 1.0
assign (resid 14  and name  HG#  )(resid   15  and name   HA   )  3.0 1.2 1.0
assign (resid 14  and name  HG#  )(resid   15  and name   HB   )  3.0 1.2 1.0
assign (resid 14  and name  HG#  )(resid   15  and name   HA   )  4.0 2.2 1.0  
assign (resid 14  and name  HG1# )(resid   15  and name   HN   )  3.0 1.2 1.0
assign (resid 14  and name  HG2# )(resid   15  and name   HN   )  3.0 1.2 1.0
assign (resid 14  and name  HA   )(resid   15  and name   HN   )  3.0 1.2 0.5
assign (resid 14  and name  HB   )(resid   15  and name   HN   )  3.0 1.2 0.5
assign (resid 14  and name  HN   )(resid   15  and name   HN   )  4.0 2.2 1.0
assign (resid 15  and name  HG2# )(resid   15  and name   HN   )  3.0 1.2 1.0
assign (resid 15  and name  HA   )(resid   15  and name   HG2# )  4.0 2.2 1.0
assign (resid 15  and name  HA   )(resid   15  and name   HB   )  4.0 2.2 1.0
assign (resid 15  and name  HA   )(resid   15  and name   HN   )  4.0 2.2 1.0
assign (resid 15  and name  HG2# )(resid   16  and name   HN   )  4.0 2.2 1.0
assign (resid 15  and name  HA   )(resid   16  and name   HN   )  3.0 1.2 0.5
assign (resid 15  and name  HB   )(resid   16  and name   HN   )  4.0 2.2 1.0
assign (resid 15  and name  HN   )(resid   16  and name   HN   )  4.0 2.2 1.0
assign (resid 16  and name  HA   )(resid   16  and name   HN   )  4.0 2.2 1.0
assign (resid 16  and name  HB1  )(resid   16  and name   HN   )  3.0 1.2 0.5
assign (resid 16  and name  HB2  )(resid   16  and name   HN   )  3.0 1.2 0.5
assign (resid 16  and name  HA   )(resid   17  and name   HD1  )  3.0 1.2 0.5
assign (resid 16  and name  HA   )(resid   17  and name   HD2  )  3.0 1.2 0.5
assign (resid 16  and name  HB1  )(resid   17  and name   HD#  )  4.0 2.2 1.0 
assign (resid 16  and name  HB2  )(resid   17  and name   HD#  )  4.0 2.2 1.0 
assign (resid 16  and name  CB   )(resid   44  and name   SG   )  3.0 0.1 0.1
assign (resid 16  and name  SG   )(resid   44  and name   CB   )  3.0 0.1 0.1
assign (resid 16  and name  SG   )(resid   44  and name   SG   )  2.0 0.1 0.1
assign (resid 17  and name  HA   )(resid   17  and name   HB1  )  4.0 2.2 1.0
assign (resid 17  and name  HA   )(resid   17  and name   HB2  )  4.0 2.2 1.0
assign (resid 17  and name  HA   )(resid   18  and name   HD1  )  4.0 2.2 1.0
assign (resid 17  and name  HA   )(resid   18  and name   HD2  )  4.0 2.2 1.0
assign (resid 18  and name  HG#  )(resid   18  and name   HD1  )  4.0 2.2 1.0
assign (resid 18  and name  HG#  )(resid   18  and name   HD2  )  4.0 2.2 1.0
assign (resid 18  and name  HB#  )(resid   19  and name   HN   )  4.0 2.2 1.0
assign (resid 18  and name  HA   )(resid   19  and name   HN   )  3.0 1.2 0.5
assign (resid 19  and name  HA1  )(resid   19  and name   HN   )  3.0 1.2 0.5
assign (resid 19  and name  HA2  )(resid   19  and name   HN   )  3.0 1.2 0.5
assign (resid 19  and name  HA1  )(resid   20  and name   HN   )  4.0 2.2 1.0
assign (resid 19  and name  HA2  )(resid   20  and name   HN   )  4.0 2.2 1.0
assign (resid 19  and name  HN   )(resid   20  and name   HB#  )  4.0 2.2 1.0
assign (resid 19  and name  HN   )(resid   20  and name   HN   )  4.0 2.2 1.0
assign (resid 19  and name  HA1  )(resid   21  and name   HD21 )  4.0 2.2 1.0
assign (resid 19  and name  HA2  )(resid   21  and name   HD21 )  4.0 2.2 1.0
assign (resid 19  and name  HA1  )(resid   21  and name   HD22 )  4.0 2.2 1.0
assign (resid 19  and name  HA2  )(resid   21  and name   HD22 )  4.0 2.2 1.0
assign (resid 20  and name  HB#  )(resid   20  and name   HN   )  3.0 1.2 0.5
assign (resid 20  and name  HG#  )(resid   20  and name   HN   )  4.0 2.2 1.0
assign (resid 20  and name  HA   )(resid   20  and name   HN   )  3.0 1.2 0.5
assign (resid 20  and name  HB#  )(resid   21  and name   HN   )  4.0 2.2 1.0
assign (resid 20  and name  HG#  )(resid   21  and name   HN   )  4.0 2.2 1.0
assign (resid 20  and name  HA   )(resid   21  and name   HN   )  3.0 1.2 0.5
assign (resid 20  and name  HN   )(resid   21  and name   HN   )  4.0 2.2 1.0
assign (resid 20  and name  HA   )(resid   22  and name   HN   )  4.0 2.2 1.0
assign (resid 20  and name  HN   )(resid   45 and name    HA   )  4.0 2.2 1.0
assign (resid 20  and name  HN   )(resid   45 and name    HN   )  4.0 2.2 1.0
assign (resid 20  and name  HB#  )(resid   46 and name    HA   )  4.0 2.2 1.0  
assign (resid 20  and name  HG#  )(resid   46  and name   HA   )  3.0 1.2 0.5  
assign (resid 20  and name  HA   )(resid   46  and name   HA   )  3.0 1.2 0.5 
assign (resid 20  and name  HN   )(resid   46  and name   HB#  )  4.0 2.2 1.0 
assign (resid 20  and name  HN   )(resid   46  and name   HA   )  4.0 2.2 1.0 
assign (resid 21  and name  HA   )(resid   21  and name   HN   )  3.0 1.2 0.5
assign (resid 21  and name  HB1  )(resid   21  and name   HN   )  3.0 1.2 0.5
assign (resid 21  and name  HB2  )(resid   21  and name   HN   )  3.0 1.2 0.5
assign (resid 21  and name  HB1  )(resid   21  and name   HD21 )  3.0 1.2 0.5
assign (resid 21  and name  HB2  )(resid   21  and name   HD21 )  3.0 1.2 0.5
assign (resid 21  and name  HB1  )(resid   21  and name   HD22 )  4.0 2.2 1.0
assign (resid 21  and name  HB2  )(resid   21  and name   HD22 )  4.0 2.2 1.0
assign (resid 21  and name  HB#  )(resid   22  and name   HD1# )  4.0 2.2 1.0
assign (resid 21  and name  HB#  )(resid   22  and name   HD2# )  4.0 2.2 1.0
assign (resid 21  and name  HA   )(resid   22  and name   HN   )  3.0 1.2 0.5
assign (resid 21  and name  HB1  )(resid   22  and name   HN   )  4.0 2.2 1.0
assign (resid 21  and name  HB2  )(resid   22  and name   HN   )  4.0 2.2 1.0
assign (resid 21  and name  HN   )(resid   22  and name   HN   )  3.0 1.2 0.5
assign (resid 21  and name  HN   )(resid   45  and name   HB#  )  4.0 2.2 1.0
assign (resid 21  and name  HN   )(resid   45  and name   HN   )  4.0 2.2 1.0 
assign (resid 21  and name  HN   )(resid   46  and name   HB#  )  4.0 2.2 1.0 
assign (resid 21  and name  HN   )(resid   46  and name   HA   )  4.0 2.2 1.0 
assign (resid 22  and name  HD1# )(resid   22  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   22  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HA   )(resid   22  and name   HN   )  3.0 1.2 0.5
assign (resid 22  and name  HB#  )(resid   22  and name   HN   )  3.0 1.2 0.5
assign (resid 22  and name  HG   )(resid   22  and name   HN   )  3.0 1.2 0.5
assign (resid 22  and name  HD1# )(resid   23  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   23  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HA   )(resid   23  and name   HA   )  4.0 2.2 1.0
assign (resid 22  and name  HA   )(resid   23  and name   HN   )  3.0 1.2 0.5
assign (resid 22  and name  HN   )(resid   23  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   25  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HN   )(resid   44  and name   HA   )  4.0 2.2 1.0
assign (resid 22  and name  HB#  )(resid   45  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   45  and name   HN   )  4.0 2.2 1.0 
assign (resid 22  and name  HN   )(resid   45  and name   HB#  )  4.0 2.2 1.0
assign (resid 22  and name  HD#  )(resid   45  and name   HB#  )  4.0 2.2 2.0
assign (resid 22  and name  HD#  )(resid   45  and name   HA   )  4.0 2.2 1.5
assign (resid 22  and name  HN   )(resid   45  and name   HN   )  3.0 1.2 0.5 
assign (resid 22  and name  HN   )(resid   45  and name   O    )  2.1 0.6 0.2 
assign (resid 22  and name  N    )(resid   45  and name   O    )  3.1 0.6 0.2 
assign (resid 22  and name  O    )(resid   45  and name   HN   )  2.1 0.6 0.2 
assign (resid 22  and name  O    )(resid   45  and name   N    )  3.1 0.6 0.2 
assign (resid 22  and name  HN   )(resid   46  and name   HA   )  4.0 2.2 1.0 
assign (resid 22  and name  HD1# )(resid   47  and name   HA   )  3.0 1.2 1.0 
assign (resid 22  and name  HD2# )(resid   47  and name   HA   )  4.0 2.2 1.0 
assign (resid 22  and name  HD1# )(resid   47  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   59  and name   HB1  )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   59  and name   HB1  )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   59  and name   HB2  )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   59  and name   HB2  )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   59  and name   HA   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HB1  )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HB2  )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   61  and name   HA   )  3.0 1.2 1.0
assign (resid 22  and name  HD2# )(resid   61  and name   HA   )  4.0 2.2 1.0
assign (resid 22  and name  HD1# )(resid   61  and name   HB#  )  4.0 2.2 1.0
assign (resid 22  and name  HD2# )(resid   61  and name   HB#  )  4.0 2.2 1.0
assign (resid 23  and name  HA   )(resid   23  and name   HB1  )  3.0 1.2 0.5 
assign (resid 23  and name  HA   )(resid   23  and name   HB2  )  3.0 1.2 0.5 
assign (resid 23  and name  HA   )(resid   23  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HB1  )(resid   23  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HB2  )(resid   23  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HA   )(resid   24  and name   HD#  )  3.0 1.2 0.5
assign (resid 23  and name  HA   )(resid   24  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HN   )(resid   24  and name   HN   )  4.0 2.2 1.0
assign (resid 23  and name  HB1  )(resid   24  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HB2  )(resid   24  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HB1  )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 23  and name  HB2  )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 23  and name  HA   )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 23  and name  HA   )(resid   44  and name   HA   )  2.5 0.7 0.2
assign (resid 23  and name  HA   )(resid   45  and name   HN   )  3.0 1.4 0.5
assign (resid 23  and name  HB2  )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 23  and name  HN   )(resid   60  and name   HN   )  3.0 1.2 0.5
assign (resid 23  and name  HN   )(resid   60  and name   O    )  2.1 0.6 0.2
assign (resid 23  and name  N    )(resid   60  and name   O    )  3.1 0.6 0.2
assign (resid 23  and name  O    )(resid   60  and name   HN   )  2.1 0.6 0.2
assign (resid 23  and name  O    )(resid   60  and name   N    )  3.1 0.6 0.2
assign (resid 23  and name  HN   )(resid   61  and name   HA   )  4.0 2.2 1.0
assign (resid 23  and name  HB1  )(resid   66  and name   HA   )  4.0 2.2 1.0
assign (resid 23  and name  HB2  )(resid   66  and name   HA   )  4.0 2.2 1.0 
assign (resid 23  and name  HB1  )(resid   66  and name   HD2# )  4.0 2.2 1.0
assign (resid 23  and name  HB2  )(resid   66  and name   HD2# )  4.0 2.2 1.0 
assign (resid 24  and name  HA   )(resid   24  and name   HD#  )  3.0 1.2 0.5
assign (resid 24  and name  HA   )(resid   24  and name   HB1  )  3.0 1.2 0.5
assign (resid 24  and name  HA   )(resid   24  and name   HB2  )  3.0 1.2 0.5
assign (resid 24  and name  HA   )(resid   24  and name   HN   )  2.5 0.7 0.2
assign (resid 24  and name  HB1  )(resid   24  and name   HD#  )  3.0 1.2 0.5
assign (resid 24  and name  HB1  )(resid   24  and name   HE#  )  4.0 2.2 1.0
assign (resid 24  and name  HB1  )(resid   24  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HB2  )(resid   24  and name   HD#  )  3.0 1.2 0.5
assign (resid 24  and name  HB2  )(resid   24  and name   HE#  )  4.0 2.2 1.0
assign (resid 24  and name  HB2  )(resid   24  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HN   )(resid   24  and name   HD#  )  4.0 2.2 1.0
assign (resid 24  and name  HN   )(resid   24  and name   HE#  )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   25  and name   HA  )  3.0 1.2 0.5 
assign (resid 24  and name  HD#  )(resid   25  and name   HN  )  4.0 2.2 1.0
assign (resid 24  and name  HA   )(resid   25  and name   HN   )  3.0 1.2 0.5
assign (resid 24  and name  HB1  )(resid   25  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HB2  )(resid   25  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   26  and name   HG#  )  3.0 1.2 0.5
assign (resid 24  and name  HD#  )(resid   26  and name   HA   )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   26  and name   HB2  )  3.0 1.2 0.5 
assign (resid 24  and name  HD#  )(resid   26  and name   HB1  )  4.0 2.2 1.0 
assign (resid 24  and name  HD#  )(resid   26  and name   HN   )  3.0 1.2 0.5
assign (resid 24  and name  HE#  )(resid   26  and name   HG#  )  3.0 1.2 0.5
assign (resid 24  and name  HE#  )(resid   26  and name   HA   )  4.0 2.2 1.0
assign (resid 24  and name  HE#  )(resid   26  and name   HB1  )  3.0 1.2 0.5 
assign (resid 24  and name  HE#  )(resid   26  and name   HB2  )  3.0 1.2 0.5 
assign (resid 24  and name  HE#  )(resid   26  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   42  and name   HA   )  4.0 2.2 1.0
assign (resid 24  and name  HE#  )(resid   42  and name   HA   )  4.0 2.2 1.0
assign (resid 24  and name  HE#  )(resid   43  and name   HA#  )  4.0 2.2 1.0 
assign (resid 24  and name  HB1  )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HB2  )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HN   )(resid   43  and name   HN   )  3.0 1.2 0.5
assign (resid 24  and name  HN   )(resid   43  and name   O    )  2.1 0.6 0.2
assign (resid 24  and name  N    )(resid   43  and name   O    )  3.1 0.6 0.2
assign (resid 24  and name  O    )(resid   43  and name   HN   )  2.1 0.6 0.2
assign (resid 24  and name  O    )(resid   43  and name   N    )  3.1 0.6 0.2
assign (resid 24  and name  HD#  )(resid   44  and name   HA   )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   44  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HE#  )(resid   44  and name   HA   )  4.0 2.2 1.0
assign (resid 24  and name  HE#  )(resid   44  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HN   )(resid   44  and name   HA   )  3.0 1.2 0.5
assign (resid 24  and name  HD#  )(resid   45  and name   HN   )  4.0 2.2 1.0 
assign (resid 24  and name  HN   )(resid   45  and name   HN   )  4.0 2.2 1.0 
assign (resid 24  and name  HB#  )(resid   45  and name   HN   )  4.0 2.2 1.0 
assign (resid 24  and name  HD#  )(resid   45  and name   HB#  )  3.0 1.2 1.0
assign (resid 24  and name  HE#  )(resid   45  and name   HB#  )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   49  and name   HD1  )  4.0 2.2 1.0 
assign (resid 24  and name  HD#  )(resid   49  and name   HD2  )  4.0 2.2 1.0 
assign (resid 24  and name  HD#  )(resid   57  and name   HG1# )  4.0 2.2 1.0 
assign (resid 24  and name  HD#  )(resid   57  and name   HG2# )  4.0 2.2 1.0
assign (resid 24  and name  HA   )(resid   58  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HB1  )(resid   58  and name   HN   )  4.0 2.2 1.0
assign (resid 24  and name  HD#  )(resid   58  and name   HN   )  4.0 2.2 1.0 
assign (resid 24  and name  HB#  )(resid   59  and name   HA   )  3.0 1.2 0.5
assign (resid 24  and name  HA   )(resid   59  and name   HB1  )  4.0 2.2 1.0
assign (resid 24  and name  HA   )(resid   59  and name   HA   )  2.5 0.7 0.2
assign (resid 24  and name  HA   )(resid   60  and name   HN   )  3.0 1.2 0.5
assign (resid 24  and name  HN   )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid 24  and name  HN   )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid 25  and name  HB#  )(resid   25  and name   HN   )  4.0 2.2 1.0
assign (resid 25  and name  HB#  )(resid   25  and name   HA   )  3.0 1.2 0.5
assign (resid 25  and name  HG1  )(resid   25  and name   HA   )  3.0 1.2 0.5
assign (resid 25  and name  HG2  )(resid   25  and name   HA   )  3.0 1.2 0.5
assign (resid 25  and name  HG#  )(resid   25  and name   HN   )  4.0 2.2 1.0
assign (resid 25  and name  HA   )(resid   25  and name   HN   )  4.0 2.2 1.0
assign (resid 25  and name  HB#  )(resid   26  and name   HN   )  4.0 2.2 1.0
assign (resid 25  and name  HA   )(resid   26  and name   HA   )  4.0 2.2 1.0
assign (resid 25  and name  HA   )(resid   26  and name   HN   )  3.0 1.2 0.5
assign (resid 25  and name  HN   )(resid   26  and name   HN   )  4.0 2.2 1.0
assign (resid 25  and name  HA   )(resid   42  and name   HA   )  2.5 0.7 0.2
assign (resid 25  and name  HA   )(resid   42  and name   HD2# )  2.5 0.7 0.7
assign (resid 25  and name  HA   )(resid   43  and name   HN   )  3.0 1.2 0.5
assign (resid 25  and name  HN   )(resid   58  and name   HN   )  3.0 1.2 0.5
assign (resid 25  and name  HN   )(resid   58  and name   O    )  2.1 0.6 0.2
assign (resid 25  and name  N    )(resid   58  and name   O    )  3.1 0.6 0.2
assign (resid 25  and name  HN   )(resid   59  and name   HA   )  3.0 1.2 0.5 
assign (resid 26  and name  HE#  )(resid   26  and name   HN   )  4.0 2.2 1.0
assign (resid 26  and name  HG#  )(resid   26  and name   HN   )  4.0 2.2 1.0
assign (resid 26  and name  HA   )(resid   26  and name   HN   )  3.0 1.2 0.5
assign (resid 26  and name  HB1  )(resid   26  and name   HN   )  3.0 1.2 0.5
assign (resid 26  and name  HB2  )(resid   26  and name   HN   )  4.0 2.2 1.0
assign (resid 26  and name  HB1  )(resid   26  and name   HA   )  3.0 1.2 0.5
assign (resid 26  and name  HB2  )(resid   26  and name   HA   )  3.0 1.2 0.5
assign (resid 26  and name  HG#  )(resid   27  and name   HA   )  4.0 2.2 1.0 
assign (resid 26  and name  HG#  )(resid   27  and name   HN   )  3.0 1.2 0.5
assign (resid 26  and name  HA   )(resid   27  and name   HA   )  4.0 2.2 1.0
assign (resid 26  and name  HA   )(resid   27  and name   HN   )  3.0 1.2 0.5
assign (resid 26  and name  HB1  )(resid   27  and name   HN   )  4.0 2.2 1.0
assign (resid 26  and name  HB2  )(resid   27  and name   HN   )  4.0 2.2 1.0
assign (resid 26  and name  HN   )(resid   27  and name   HA   )  4.0 2.2 1.0
assign (resid 26  and name  HN   )(resid   27  and name   HN   )  4.0 2.2 1.0 
assign (resid 26  and name  HB1  )(resid   28  and name   HE3  )  4.0 2.2 1.0
assign (resid 26  and name  HB2  )(resid   28  and name   HE3  )  4.0 2.2 1.0
assign (resid 26  and name  HN   )(resid   40  and name   HA   )  4.0 2.2 1.0 
assign (resid 26  and name  HN   )(resid   41  and name   HB2  )  4.0 2.2 1.0 
assign (resid 26  and name  HN   )(resid   41  and name   HN   )  3.0 1.2 0.5 
assign (resid 26  and name  HN   )(resid   41  and name   O    )  2.1 0.6 0.2 
assign (resid 26  and name  N    )(resid   41  and name   O    )  3.1 0.6 0.2 
assign (resid 26  and name  O    )(resid   41  and name   HN   )  2.1 0.6 0.2 
assign (resid 26  and name  O    )(resid   41  and name   N    )  3.1 0.6 0.2 
assign (resid 26  and name  HN   )(resid   42  and name   HA   )  3.0 1.2 0.5
assign (resid 26  and name  HA   )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 26  and name  HA   )(resid   57  and name   HG1# )  4.0 2.2 1.0 
assign (resid 26  and name  HA   )(resid   57  and name   HG2# )  4.0 2.2 1.0
assign (resid 26  and name  HA   )(resid   57  and name   HA   )  2.5 0.7 0.2
assign (resid 26  and name  HA   )(resid   58  and name   HN   )  3.0 1.2 0.5
assign (resid 27  and name  HG#  )(resid   27  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   27  and name   HB1  )  3.0 1.2 0.5
assign (resid 27  and name  HA   )(resid   27  and name   HB2  )  3.0 1.2 0.5
assign (resid 27  and name  HA   )(resid   27  and name   HG1  )  3.0 1.2 0.5
assign (resid 27  and name  HA   )(resid   27  and name   HG2  )  3.0 1.2 0.5
assign (resid 27  and name  HA   )(resid   27  and name   HN   )  3.0 1.2 0.5
assign (resid 27  and name  HB1  )(resid   27  and name   HN   )  3.0 1.2 0.5
assign (resid 27  and name  HB2  )(resid   27  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   28  and name   HB1  )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   28  and name   HB2  )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   28  and name   HA   )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   28  and name   HD1  )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   28  and name   HN   )  3.0 1.2 0.5
assign (resid 27  and name  HB1  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HB2  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HG1  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HG2  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HN   )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   38  and name   HB1  )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   38  and name   HB2  )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   38  and name   HG#  )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   39  and name   HG#  )  4.0 2.2 1.5
assign (resid 27  and name  HA   )(resid   39  and name   HB   )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   40  and name   HG1# )  4.0 2.2 1.0 
assign (resid 27  and name  HA   )(resid   40  and name   HG2# )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   40  and name   HA   )  3.0 1.2 0.5
assign (resid 27  and name  HG1  )(resid   40  and name   HA   )  3.0 1.2 0.5
assign (resid 27  and name  HG1  )(resid   40  and name   HG2# )  4.0 2.2 1.0 
assign (resid 27  and name  HG2  )(resid   40  and name   HA   )  3.0 1.2 0.5
assign (resid 27  and name  HG2  )(resid   40  and name   HG2# )  4.0 2.2 1.0
assign (resid 27  and name  HA   )(resid   41  and name   HN   )  3.0 1.2 0.5
assign (resid 27  and name  HN   )(resid   41  and name   HB2  )  4.0 2.2 1.0 
assign (resid 27  and name  HN   )(resid   56  and name   HN   )  3.0 1.2 0.5 
assign (resid 27  and name  HN   )(resid   57  and name   HG1# )  4.0 2.2 1.0
assign (resid 27  and name  HN   )(resid   57  and name   HG2# )  4.0 2.2 1.0
assign (resid 27  and name  HN   )(resid   57  and name   HA   )  3.0 1.2 0.5
assign (resid 28  and name  HA   )(resid   28  and name   HB1  )  2.5 0.7 0.2
assign (resid 28  and name  HA   )(resid   28  and name   HB2  )  2.5 0.7 0.2
assign (resid 28  and name  HA   )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 28  and name  HB1  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 28  and name  HB2  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 28  and name  HD1  )(resid   28  and name   HA   )  4.0 2.2 1.0
assign (resid 28  and name  HE3  )(resid   28  and name   HN   )  4.0 2.2 1.0
assign (resid 28  and name  HA   )(resid   29  and name   HA   )  4.0 2.2 1.0
assign (resid 28  and name  HA   )(resid   29  and name   HN   )  3.0 1.2 0.5
assign (resid 28  and name  HB1  )(resid   29  and name   HN   )  3.0 1.2 0.5
assign (resid 28  and name  HB2  )(resid   29  and name   HN   )  3.0 1.2 0.5
assign (resid 28  and name  HD1  )(resid   29  and name   HN   )  4.0 2.2 1.0 
assign (resid 28  and name  HE3  )(resid   29  and name   HN   )  4.0 2.2 1.0
assign (resid 28  and name  HN   )(resid   29  and name   HN   )  4.0 2.2 1.0
assign (resid 28  and name  HE1  )(resid   30  and name   HA   )  4.0 2.2 1.0
assign (resid 28  and name  HE1  )(resid   30  and name   HB#  )  4.0 2.2 1.0
assign (resid 28  and name  HN   )(resid   38  and name   HB2  )  4.0 2.2 1.0
assign (resid 28  and name  HN   )(resid   38  and name   HG#  )  4.0 2.2 1.0
assign (resid 28  and name  HN   )(resid   38  and name   HA   )  4.0 2.2 1.0 
assign (resid 28  and name  HD1  )(resid   39  and name   HG1# )  4.0 2.2 1.0 
assign (resid 28  and name  HD1  )(resid   39  and name   HG2# )  4.0 2.2 1.0 
assign (resid 28  and name  HD1  )(resid   39  and name   HB   )  4.0 2.2 1.0 
assign (resid 28  and name  HE1  )(resid   39  and name   HG1# )  4.0 2.2 1.0 
assign (resid 28  and name  HE1  )(resid   39  and name   HG2# )  4.0 2.2 1.0 
assign (resid 28  and name  HE1  )(resid   39  and name   HB   )  4.0 2.2 1.0 
assign (resid 28  and name  HN   )(resid   39  and name   HG#  )  4.0 2.2 1.0
assign (resid 28  and name  HN   )(resid   39  and name   HB   )  4.0 2.2 1.0 
assign (resid 28  and name  HZ2  )(resid   39  and name   HG1# )  4.0 2.2 1.0 
assign (resid 28  and name  HZ2  )(resid   39  and name   HG2# )  4.0 2.2 1.0 
assign (resid 28  and name  HZ2  )(resid   39  and name   HB   )  4.0 2.2 1.0
assign (resid 28  and name  HN   )(resid   39  and name   HN   )  4.0 2.2 1.0 
assign (resid 28  and name  HZ3  )(resid   41  and name   HB2  )  4.0 2.2 1.0
assign (resid 28  and name  HE1  )(resid   41  and name   HB1  )  4.0 2.2 1.0
assign (resid 28  and name  HE1  )(resid   41  and name   HB2  )  4.0 2.2 1.0
assign (resid 28  and name  HB1  )(resid   55  and name   HA   )  4.0 2.2 1.0
assign (resid 28  and name  HB2  )(resid   55  and name   HA   )  4.0 2.2 1.0
assign (resid 28  and name  HA   )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 29  and name  HA   )(resid   29  and name   HN   )  4.0 2.2 1.0
assign (resid 29  and name  HB1  )(resid   29  and name   HA   )  3.0 1.2 0.5
assign (resid 29  and name  HB2  )(resid   29  and name   HA   )  3.0 1.2 0.5
assign (resid 29  and name  HB1  )(resid   29  and name   HN   )  3.0 1.2 0.5
assign (resid 29  and name  HB2  )(resid   29  and name   HN   )  3.0 1.2 0.5
assign (resid 29  and name  HB1  )(resid   30  and name   HN   )  4.0 2.2 1.0
assign (resid 29  and name  HB2  )(resid   30  and name   HN   )  4.0 2.2 1.0
assign (resid 29  and name  HA   )(resid   30  and name   HA   )  4.0 2.2 1.0
assign (resid 29  and name  HA   )(resid   30  and name   HN   )  3.0 1.2 0.5
assign (resid 29  and name  CB   )(resid   33  and name   SG   )  3.0 0.1 0.1
assign (resid 29  and name  HA   )(resid   33  and name   HB#  )  4.0 2.2 1.0 
assign (resid 29  and name  SG   )(resid   33  and name   CB   )  3.0 0.1 0.1
assign (resid 29  and name  SG   )(resid   33  and name   SG   )  2.0 0.1 0.1
assign (resid 29  and name  HA   )(resid   34  and name   HN   )  4.0 2.2 1.0
assign (resid 29  and name  HA   )(resid   38  and name   HA   )  3.0 1.2 0.5
assign (resid 29  and name  HA   )(resid   38  and name   HN   )  4.0 2.2 1.0 
assign (resid 29  and name  HB1  )(resid   38  and name   HA   )  4.0 2.2 1.0 
assign (resid 29  and name  HB2  )(resid   38  and name   HA   )  4.0 2.2 1.0 
assign (resid 29  and name  HN   )(resid   38  and name   HB2  )  4.0 2.2 1.0 
assign (resid 29  and name  HN   )(resid   38  and name   HG#  )  4.0 2.2 1.0 
assign (resid 29  and name  HA   )(resid   39  and name   HG#  )  3.0 1.2 1.0
assign (resid 29  and name  HA   )(resid   39  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HA   )(resid   30  and name   HB1  )  3.0 1.2 0.5
assign (resid 30  and name  HA   )(resid   30  and name   HB2  )  3.0 1.2 0.5
assign (resid 30  and name  HA   )(resid   30  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HB1  )(resid   30  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HB2  )(resid   30  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HA   )(resid   31  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HB1  )(resid   31  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HB2  )(resid   31  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HN   )(resid   33  and name   HB#  )  4.0 2.2 1.0
assign (resid 30  and name  HN   )(resid   34  and name   HN   )  4.0 2.2 1.0
assign (resid 30  and name  HN   )(resid   38  and name   HA   )  4.0 2.2 1.0
assign (resid 30  and name  HA   )(resid   39  and name   HG#  )  4.0 2.2 1.0
assign (resid 30  and name  HB1  )(resid   39  and name   HG#  )  4.0 2.2 1.0 
assign (resid 30  and name  HB2  )(resid   39  and name   HG#  )  4.0 2.2 1.0 
assign (resid 30  and name  HN   )(resid   39  and name   HG#  )  4.0 2.2 1.0
assign (resid 30  and name  HN   )(resid   39  and name   HN   )  4.0 2.2 1.0
assign (resid 31  and name  HB#  )(resid   31  and name   HN   )  4.0 2.2 1.0
assign (resid 31  and name  HA   )(resid   31  and name   HN   )  3.0 1.2 0.5
assign (resid 31  and name  HB#  )(resid   32  and name   HD#  )  4.0 2.2 1.0
assign (resid 31  and name  HB#  )(resid   32  and name   HE#  )  4.0 2.2 1.0
assign (resid 31  and name  HB#  )(resid   32  and name   HN   )  4.0 2.2 1.0
assign (resid 31  and name  HA   )(resid   32  and name   HN   )  4.0 2.2 1.0
assign (resid 31  and name  HN   )(resid   32  and name   HN   )  4.0 2.2 1.0
assign (resid 32  and name  HB1  )(resid   32  and name   HN   )  4.0 2.2 1.0
assign (resid 32  and name  HB2  )(resid   32  and name   HN   )  4.0 2.2 1.0
assign (resid 32  and name  HN   )(resid   34  and name   HN   )  4.0 2.2 1.0
assign (resid 33  and name  HA   )(resid   33  and name   HB1  )  4.0 2.2 1.0
assign (resid 33  and name  HA   )(resid   33  and name   HB2  )  4.0 2.2 1.0
assign (resid 34  and name  HA   )(resid   34  and name   HN   )  4.0 2.2 1.0 
assign (resid 34  and name  HB1  )(resid   34  and name   HA   )  4.0 2.2 1.0 
assign (resid 34  and name  HB1  )(resid   34  and name   HN   )  4.0 2.2 1.0 
assign (resid 34  and name  HB2  )(resid   34  and name   HA   )  4.0 2.2 1.0 
assign (resid 34  and name  HB2  )(resid   34  and name   HN   )  4.0 2.2 1.0
assign (resid 34  and name  HN   )(resid   36  and name   HN   )  4.0 2.2 1.0
assign (resid 34  and name  HN   )(resid   37  and name   HN   )  4.0 2.2 1.0 
assign (resid 35  and name  HA   )(resid   35  and name   HN   )  4.0 2.2 1.0 
assign (resid 35  and name  HB1  )(resid   35  and name   HA   )  4.0 2.2 1.0 
assign (resid 35  and name  HB1  )(resid   35  and name   HN   )  4.0 2.2 1.0 
assign (resid 35  and name  HB2  )(resid   35  and name   HA   )  4.0 2.2 1.0 
assign (resid 35  and name  HB2  )(resid   35  and name   HN   )  4.0 2.2 1.0 
assign (resid 35  and name  HB#  )(resid   36  and name   HN   )  4.0 2.2 1.0 
assign (resid 35  and name  HA   )(resid   36  and name   HN   )  4.0 2.2 1.0 
assign (resid 35  and name  HN   )(resid   36  and name   HN   )  4.0 2.2 1.0 
assign (resid 36  and name  HB1  )(resid   36  and name   HN   )  4.0 2.2 1.0 
assign (resid 36  and name  HB2  )(resid   36  and name   HN   )  3.0 1.2 0.5 
assign (resid 36  and name  HG#  )(resid   36  and name   HN   )  4.0 2.2 1.0 
assign (resid 36  and name  HA   )(resid   36  and name   HN   )  4.0 2.2 1.0 
assign (resid 36  and name  HN   )(resid   37  and name   HN   )  3.0 1.2 0.5 
assign (resid 37  and name  HN   )(resid   37  and name   HA#  )  3.0 1.2 0.5
assign (resid 37  and name  HA1  )(resid   38  and name   HN   )  3.0 1.2 0.5
assign (resid 37  and name  HA2  )(resid   38  and name   HN   )  3.0 1.2 0.5
assign (resid 37  and name  HN   )(resid   38  and name   HN   )  4.0 2.2 1.0
assign (resid 38  and name  HB2  )(resid   38  and name   HN   )  3.0 1.2 0.5
assign (resid 38  and name  HG#  )(resid   38  and name   HN   )  3.0 1.2 0.5
assign (resid 38  and name  HA   )(resid   38  and name   HN   )  4.0 2.2 1.0
assign (resid 38  and name  HA   )(resid   38  and name   HE#  )  4.0 2.2 1.0
assign (resid 38  and name  HB1  )(resid   39  and name   HN   )  4.0 2.2 1.0
assign (resid 38  and name  HG#  )(resid   39  and name   HN   )  4.0 2.2 1.0
assign (resid 38  and name  HA   )(resid   39  and name   HN   )  3.0 1.2 0.5
assign (resid 38  and name  HA   )(resid   39  and name   HG#  )  4.0 2.2 1.5
assign (resid 38  and name  HN   )(resid   39  and name   HN   )  4.0 2.2 1.0
assign (resid 38  and name  HN   )(resid   40  and name   HG2# )  4.0 2.2 1.0
assign (resid 39  and name  HG#  )(resid   39  and name   HN   )  3.0 1.2 1.0
assign (resid 39  and name  HA   )(resid   39  and name   HN   )  4.0 2.2 1.0 
assign (resid 39  and name  HB   )(resid   39  and name   HN   )  4.0 2.2 1.0
assign (resid 39  and name  HG1# )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 39  and name  HG2# )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 39  and name  HA   )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 39  and name  HB   )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 39  and name  HG#  )(resid   41  and name   HN   )  4.0 2.2 1.5 
assign (resid 40  and name  HG1# )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 40  and name  HG2# )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 40  and name  HA   )(resid   40  and name   HN   )  3.0 1.2 0.5
assign (resid 40  and name  HG1# )(resid   41  and name   HN   )  4.0 2.2 1.0
assign (resid 40  and name  HG2# )(resid   41  and name   HN   )  3.0 1.2 1.0
assign (resid 40  and name  HA   )(resid   41  and name   HN   )  2.5 0.7 0.2
assign (resid 40  and name  HB   )(resid   41  and name   HN   )  4.0 2.2 1.0
assign (resid 40  and name  HB   )(resid   41  and name   HA   )  4.0 2.2 1.0
assign (resid 40  and name  HN   )(resid   41  and name   HA   )  4.0 2.2 1.0
assign (resid 40  and name  HN   )(resid   41  and name   HB1  )  4.0 2.2 1.0 
assign (resid 40  and name  HN   )(resid   41  and name   HB2  )  4.0 2.2 1.0 
assign (resid 40  and name  HG1# )(resid   68  and name   HA   )  3.0 1.2 1.0 
assign (resid 40  and name  HG1# )(resid   68  and name   HE1  )  4.0 2.2 1.0
assign (resid 40  and name  HG2# )(resid   68  and name   HD2  )  4.0 2.2 1.0
assign (resid 40  and name  HG2# )(resid   68  and name   HE1  )  4.0 2.2 1.0
assign (resid 40  and name  HB   )(resid   68  and name   HD2  )  4.0 2.2 1.0
assign (resid 40  and name  HG1# )(resid   69  and name   HD1  )  4.0 2.2 1.0 
assign (resid 40  and name  HG1# )(resid   69  and name   HD2  )  4.0 2.2 1.0 
assign (resid 40  and name  HG2# )(resid   69  and name   HD1  )  4.0 2.2 1.0 
assign (resid 40  and name  HG2# )(resid   69  and name   HD2  )  4.0 2.2 1.0 
assign (resid 41  and name  HA   )(resid   42  and name   HN   )  3.0 1.2 0.5 
assign (resid 41  and name  HB1  )(resid   42  and name   HN   )  4.0 2.2 1.0 
assign (resid 41  and name  HB2  )(resid   42  and name   HN   )  4.0 2.2 1.0 
assign (resid 41  and name  HN   )(resid   42  and name   HD1# )  4.0 2.2 1.0 
assign (resid 42  and name  HD1# )(resid   42  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HD2# )(resid   42  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HA   )(resid   42  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HB1  )(resid   42  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HB2  )(resid   42  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HG   )(resid   42  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HB#  )(resid   42  and name   HA   )  3.0 1.2 0.5
assign (resid 42  and name  HG   )(resid   42  and name   HA   )  3.0 1.2 0.5
assign (resid 42  and name  HD1# )(resid   42  and name   HA   )  4.0 2.2 1.0
assign (resid 42  and name  HD2# )(resid   42  and name   HA   )  4.0 2.2 1.0
assign (resid 42  and name  HB#  )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HD1# )(resid   43  and name   HN   )  4.0 2.2 1.0
assign (resid 42  and name  HD2# )(resid   43  and name   HN   )  3.0 1.2 1.0
assign (resid 42  and name  HA   )(resid   43  and name   HN   )  3.0 1.2 0.5
assign (resid 42  and name  HB#  )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid 42  and name  HB#  )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid 42  and name  HD1# )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid 42  and name  HD1# )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid 42  and name  HD2# )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid 42  and name  HD2# )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid 42  and name  HD#  )(resid   68  and name   HN   )  4.0 2.2 1.5
assign (resid 43  and name  HA1  )(resid   43  and name   HN   )  3.0 1.2 0.5
assign (resid 43  and name  HA2  )(resid   43  and name   HN   )  3.0 1.2 0.5
assign (resid 43  and name  HA1  )(resid   44  and name   HA   )  4.0 2.2 1.0
assign (resid 43  and name  HA1  )(resid   44  and name   HN   )  3.0 1.2 0.5
assign (resid 43  and name  HA2  )(resid   44  and name   HA   )  4.0 2.2 1.0
assign (resid 43  and name  HA2  )(resid   44  and name   HN   )  3.0 1.2 0.5
assign (resid 43  and name  HN   )(resid   44  and name   HN   )  4.0 2.2 1.0
assign (resid 43  and name  HN   )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid 43  and name  HN   )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid 43  and name  HN   )(resid   66  and name   HB1  )  4.0 2.2 1.0
assign (resid 43  and name  HN   )(resid   66  and name   HB2  )  4.0 2.2 1.0
assign (resid 44  and name  HA   )(resid   44  and name   HN   )  3.0 1.2 0.5
assign (resid 44  and name  HB1  )(resid   44  and name   HA   )  3.0 1.2 0.5
assign (resid 44  and name  HB2  )(resid   44  and name   HA   )  3.0 1.2 0.5
assign (resid 44  and name  HB1  )(resid   44  and name   HN   )  3.0 1.2 0.5
assign (resid 44  and name  HB2  )(resid   44  and name   HN   )  3.0 1.2 0.5
assign (resid 44  and name  HA   )(resid   45  and name   HB#  )  4.0 2.2 1.0
assign (resid 44  and name  HA   )(resid   45  and name   HA   )  4.0 2.2 1.0
assign (resid 44  and name  HA   )(resid   45  and name   HN   )  2.5 0.7 0.2
assign (resid 44  and name  HB1  )(resid   45  and name   HN   )  3.0 1.2 0.5
assign (resid 44  and name  HB2  )(resid   45  and name   HN   )  3.0 1.2 0.5
assign (resid 44  and name  HN   )(resid   45  and name   HN   )  4.0 2.2 1.0
assign (resid 45  and name  HB#  )(resid   45  and name   HN   )  3.0 1.2 0.5
assign (resid 45  and name  HA   )(resid   45  and name   HN   )  2.5 0.7 0.2
assign (resid 45  and name  HB#  )(resid   46  and name   HN   )  3.0 1.2 1.0
assign (resid 45  and name  HA   )(resid   46  and name   HN   )  3.0 1.2 0.5
assign (resid 45  and name  HN   )(resid   46  and name   HN   )  4.0 2.2 1.0
assign (resid 45  and name  HB#  )(resid   47  and name   HN   )  4.0 2.2 1.0
assign (resid 45  and name  HA   )(resid   47  and name   HN   )  4.0 2.2 1.0
assign (resid 45  and name  HB#  )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 45  and name  HA   )(resid   49  and name   HG#  )  4.0 2.2 1.0
assign (resid 46  and name  HB#  )(resid   46  and name   HA   )  2.5 0.7 0.2
assign (resid 46  and name  HB#  )(resid   46  and name   HN   )  4.0 2.2 1.0
assign (resid 46  and name  HA   )(resid   46  and name   HN   )  4.0 2.2 1.0
assign (resid 46  and name  HB#  )(resid   47  and name   HN   )  3.0 1.2 1.0
assign (resid 46  and name  HA   )(resid   47  and name   HN   )  4.0 2.2 1.0
assign (resid 46  and name  HN   )(resid   47  and name   HN   )  3.0 1.2 0.5
assign (resid 47  and name  HG2# )(resid   47  and name   HN   )  3.0 1.2 1.0
assign (resid 47  and name  HA   )(resid   47  and name   HB   )  2.5 0.7 0.2
assign (resid 47  and name  HA   )(resid   47  and name   HN   )  3.0 1.2 0.5
assign (resid 47  and name  HB   )(resid   47  and name   HN   )  4.0 2.2 1.0
assign (resid 47  and name  HG2# )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 47  and name  HA   )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 47  and name  HN   )(resid   48  and name   HA   )  4.0 2.2 1.0
assign (resid 47  and name  HB   )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 47  and name  HN   )(resid   48  and name   HN   )  4.0 2.2 1.0
assign (resid 48  and name  HA   )(resid   48  and name   HN   )  3.0 1.2 0.5
assign (resid 48  and name  HA   )(resid   49  and name   HD1  )  4.0 2.2 1.0 
assign (resid 48  and name  HA   )(resid   49  and name   HD2  )  4.0 2.2 1.0 
assign (resid 48  and name  CB   )(resid   59  and name   SG   )  3.0 0.1 0.1
assign (resid 48  and name  SG   )(resid   59  and name   CB   )  3.0 0.1 0.1
assign (resid 48  and name  SG   )(resid   59  and name   SG   )  2.0 0.1 0.1
assign (resid 49  and name  HA   )(resid   49  and name   HB1  )  4.0 2.2 1.0
assign (resid 49  and name  HA   )(resid   49  and name   HB2  )  4.0 2.2 1.0
assign (resid 49  and name  HA   )(resid   49  and name   HG1  )  4.0 2.2 1.0
assign (resid 49  and name  HA   )(resid   49  and name   HG2  )  4.0 2.2 1.0
assign (resid 49  and name  HG1  )(resid   49  and name   HD1  )  4.0 2.2 1.0
assign (resid 49  and name  HG1  )(resid   49  and name   HD2  )  4.0 2.2 1.0
assign (resid 49  and name  HG2  )(resid   49  and name   HD1  )  4.0 2.2 1.0
assign (resid 49  and name  HG2  )(resid   49  and name   HD2  )  4.0 2.2 1.0
assign (resid 49  and name  HB#  )(resid   50  and name   HN   )  3.0 1.2 0.5
assign (resid 49  and name  HA   )(resid   50  and name   HN   )  3.0 1.2 0.5
assign (resid 49  and name  HB#  )(resid   57  and name   HG2# )  4.0 2.2 1.0
assign (resid 49  and name  HD#  )(resid   57  and name   HG2# )  4.0 2.2 1.0
assign (resid 50  and name  HB#  )(resid   50  and name   HN   )  3.0 1.2 0.5
assign (resid 50  and name  HA   )(resid   50  and name   HN   )  3.0 1.2 0.5
assign (resid 50  and name  HB#  )(resid   51  and name   HN   )  3.0 1.2 0.5
assign (resid 50  and name  HA   )(resid   51  and name   HN   )  3.0 1.2 0.5
assign (resid 50  and name  HN   )(resid   51  and name   HN   )  4.0 2.2 1.0
assign (resid 51  and name  HB#  )(resid   51  and name   HN   )  4.0 2.2 1.0
assign (resid 51  and name  HG#  )(resid   51  and name   HN   )  4.0 2.2 1.0
assign (resid 51  and name  HA   )(resid   51  and name   HN   )  3.0 1.2 0.5
assign (resid 51  and name  HA   )(resid   52  and name   HN   )  2.5 0.7 0.2
assign (resid 52  and name  HA   )(resid   52  and name   HN   )  4.0 2.2 1.0
assign (resid 52  and name  HN   )(resid   53  and name   HB#  )  4.0 2.2 1.0
assign (resid 52  and name  HN   )(resid   53  and name   HD1  )  4.0 2.2 1.0
assign (resid 52  and name  HN   )(resid   53  and name   HD2  )  4.0 2.2 1.0
assign (resid 52  and name  HA   )(resid   53  and name   HD1  )  4.0 2.2 1.0
assign (resid 52  and name  HA   )(resid   53  and name   HD2  )  4.0 2.2 1.0
assign (resid 52  and name  HN   )(resid   55  and name   HN   )  4.0 2.2 1.0
assign (resid 52  and name  HN   )(resid   55  and name   HB2  )  4.0 2.2 1.0
assign (resid 53  and name  HA   )(resid   53  and name   HB1  )  4.0 2.2 1.0
assign (resid 53  and name  HA   )(resid   53  and name   HB2  )  4.0 2.2 1.0
assign (resid 53  and name  HA   )(resid   53  and name   HG#  )  4.0 2.2 1.0
assign (resid 53  and name  HA   )(resid   54  and name   HE#  )  4.0 2.2 1.0
assign (resid 53  and name  HB#  )(resid   54  and name   HN   )  4.0 2.2 1.0
assign (resid 53  and name  HB#  )(resid   54  and name   HD#  )  4.0 2.2 1.0
assign (resid 53  and name  HD#  )(resid   54  and name   HD#  )  4.0 2.2 1.0
assign (resid 53  and name  HD#  )(resid   54  and name   HE#  )  4.0 2.2 1.0
assign (resid 53  and name  HD#  )(resid   54  and name   HN   )  4.0 2.2 1.0
assign (resid 53  and name  HG#  )(resid   54  and name   HN   )  4.0 2.2 1.0
assign (resid 53  and name  HA   )(resid   54  and name   HN   )  3.0 1.2 0.5
assign (resid 53  and name  HA   )(resid   55  and name   HN   )  4.0 2.2 1.0
assign (resid 54  and name  HB#  )(resid   54  and name   HN   )  4.0 2.2 1.0
assign (resid 54  and name  HD#  )(resid   54  and name   HB1  )  4.0 2.2 1.0
assign (resid 54  and name  HD#  )(resid   54  and name   HB2  )  4.0 2.2 1.0
assign (resid 54  and name  HA   )(resid   54  and name   HN   )  4.0 2.2 1.0
assign (resid 54  and name  HE#  )(resid   55  and name   HN   )  4.0 2.2 1.0
assign (resid 54  and name  HB#  )(resid   55  and name   HN   )  4.0 2.2 1.0
assign (resid 54  and name  HA   )(resid   55  and name   HN   )  4.0 2.2 1.0
assign (resid 54  and name  HN   )(resid   55  and name   HN   )  4.0 2.2 1.0
assign (resid 55  and name  HB2  )(resid   55  and name   HN   )  3.0 1.2 0.5
assign (resid 55  and name  HA   )(resid   55  and name   HN   )  3.0 1.2 0.5
assign (resid 55  and name  HA   )(resid   55  and name   HB#  )  3.0 1.2 0.5
assign (resid 55  and name  HB2  )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 55  and name  HG#  )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 55  and name  HA   )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 55  and name  HN   )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HG#  )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HA   )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HB1  )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HB2  )(resid   56  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HA   )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HB1  )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HB2  )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 56  and name  HN   )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 57  and name  HG1# )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 57  and name  HG2# )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 57  and name  HG1# )(resid   57  and name   HA   )  3.0 1.2 0.5
assign (resid 57  and name  HG2# )(resid   57  and name   HA   )  3.0 1.2 0.5
assign (resid 57  and name  HB   )(resid   57  and name   HA   )  3.0 1.2 0.5
assign (resid 57  and name  HA   )(resid   57  and name   HN   )  4.0 2.2 1.0
assign (resid 57  and name  HB   )(resid   57  and name   HN   )  3.0 1.2 0.5
assign (resid 57  and name  HG1# )(resid   58  and name   HN   )  4.0 2.2 1.0
assign (resid 57  and name  HG2# )(resid   58  and name   HN   )  3.0 1.2 1.0
assign (resid 57  and name  HA   )(resid   58  and name   HN   )  2.5 0.7 0.2
assign (resid 57  and name  HB   )(resid   58  and name   HN   )  4.0 2.2 1.0
assign (resid 57  and name  HN   )(resid   58  and name   HN   )  4.0 2.2 1.0
assign (resid 58  and name  HG2# )(resid   58  and name   HN   )  4.0 2.2 1.0
assign (resid 58  and name  HA   )(resid   58  and name   HN   )  3.0 1.2 0.5
assign (resid 58  and name  HB   )(resid   58  and name   HN   )  3.0 1.2 0.5
assign (resid 58  and name  HG2# )(resid   59  and name   HN   )  4.0 2.2 1.0
assign (resid 59  and name  HA   )(resid   59  and name   HN   )  4.0 2.2 1.0
assign (resid 59  and name  HB1  )(resid   59  and name   HN   )  4.0 2.2 1.0
assign (resid 59  and name  HB2  )(resid   59  and name   HN   )  4.0 2.2 1.0
assign (resid 59  and name  HB1  )(resid   60  and name   HA   )  3.0 1.2 0.5 
assign (resid 59  and name  HA   )(resid   60  and name   HA   )  4.0 2.2 1.0
assign (resid 59  and name  HA   )(resid   60  and name   HN   )  3.0 1.2 0.5
assign (resid 59  and name  HB2  )(resid   60  and name   HN   )  3.0 1.2 0.5
assign (resid 59  and name  HB1  )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 60  and name  HA   )(resid   60  and name   HB1  )  3.0 1.2 0.5
assign (resid 60  and name  HA   )(resid   60  and name   HB2  )  3.0 1.2 0.5
assign (resid 60  and name  HA   )(resid   60  and name   HN   )  3.0 1.2 0.5
assign (resid 60  and name  HB1  )(resid   60  and name   HN   )  4.0 2.2 1.0
assign (resid 60  and name  HB2  )(resid   60  and name   HN   )  4.0 2.2 1.0
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assign (resid 60  and name  HB2  )(resid   61  and name   HN   )  4.0 2.2 1.0
assign (resid 60  and name  HA   )(resid   61  and name   HB#  )  4.0 2.2 1.0
assign (resid 60  and name  HA   )(resid   61  and name   HN   )  3.0 1.2 0.5
assign (resid 60  and name  HB#  )(resid   62  and name   HN   )  4.0 2.2 1.0
assign (resid 60  and name  HA   )(resid   62  and name   HN   )  4.0 2.2 1.0
assign (resid 60  and name  CB   )(resid   65  and name   SG   )  3.0 0.1 0.1
assign (resid 60  and name  SG   )(resid   65  and name   CB   )  3.0 0.1 0.1
assign (resid 60  and name  SG   )(resid   65  and name   SG   )  2.0 0.1 0.1
assign (resid 60  and name  HB#  )(resid   66  and name   HD2# )  4.0 2.2 1.0
assign (resid 60  and name  HA   )(resid   66  and name   HD21 )  4.0 2.2 1.0
assign (resid 60  and name  HA   )(resid   66  and name   HD22 )  4.0 2.2 1.0
assign (resid 60  and name  HB#  )(resid   66  and name   HN   )  4.0 2.2 1.0
assign (resid 61  and name  HA   )(resid   61  and name   HB1  )  2.5 0.7 0.2
assign (resid 61  and name  HA   )(resid   61  and name   HB2  )  2.5 0.7 0.2
assign (resid 61  and name  HA   )(resid   61  and name   HN   )  3.0 1.2 0.5
assign (resid 61  and name  HB1  )(resid   61  and name   HN   )  4.0 2.2 1.0
assign (resid 61  and name  HB2  )(resid   61  and name   HN   )  4.0 2.2 1.0
assign (resid 61  and name  HA   )(resid   62  and name   HN   )  3.0 1.2 0.5
assign (resid 61  and name  HN   )(resid   62  and name   HN   )  4.0 2.2 1.0
assign (resid 62  and name  HG2# )(resid   62  and name   HA   )  3.0 1.2 1.0
assign (resid 62  and name  HG2# )(resid   62  and name   HB   )  3.0 1.2 1.0
assign (resid 62  and name  HG2# )(resid   62  and name   HN   )  3.0 1.2 1.0
assign (resid 62  and name  HA   )(resid   62  and name   HB   )  3.0 1.2 0.5
assign (resid 62  and name  HA   )(resid   62  and name   HN   )  3.0 1.2 0.5
assign (resid 62  and name  HB   )(resid   62  and name   HN   )  3.0 1.2 0.5
assign (resid 62  and name  HG2# )(resid   63  and name   HN   )  4.0 2.2 1.0
assign (resid 62  and name  HA   )(resid   63  and name   HN   )  3.0 1.2 0.5
assign (resid 62  and name  HB   )(resid   63  and name   HN   )  3.0 1.2 0.5
assign (resid 62  and name  HN   )(resid   65  and name   HB2  )  4.0 2.2 1.0
assign (resid 62  and name  HN   )(resid   65  and name   HA   )  4.0 2.2 1.0
assign (resid 63  and name  HA   )(resid   63  and name   HN   )  3.0 1.2 0.5
assign (resid 63  and name  HB1  )(resid   63  and name   HN   )  3.0 1.2 0.5
assign (resid 63  and name  HB2  )(resid   63  and name   HN   )  3.0 1.2 0.5
assign (resid 63  and name  HA   )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid 63  and name  HN   )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid 63  and name  HB1  )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid 63  and name  HB2  )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid 63  and name  HB#  )(resid   64  and name   HB#  )  4.0 2.2 1.0
assign (resid 63  and name  HA   )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid 64  and name  HB#  )(resid   64  and name   HN   )  4.0 2.2 1.0
assign (resid 64  and name  HA   )(resid   64  and name   HN   )  3.0 1.2 0.5
assign (resid 64  and name  HB#  )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid 64  and name  HA   )(resid   65  and name   HN   )  3.0 1.2 0.5
assign (resid 64  and name  HN   )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid 64  and name  HA   )(resid   66  and name   HN   )  3.0 1.2 0.5
assign (resid 65  and name  HA   )(resid   65  and name   HB1  )  3.0 1.2 0.5
assign (resid 65  and name  HA   )(resid   65  and name   HB2  )  3.0 1.2 0.5
assign (resid 65  and name  HA   )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid 65  and name  HB1  )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid 65  and name  HB2  )(resid   65  and name   HN   )  4.0 2.2 1.0
assign (resid 65  and name  HA   )(resid   66  and name   HN   )  4.0 2.2 1.0
assign (resid 65  and name  HN   )(resid   66  and name   HN   )  3.0 1.2 0.5
assign (resid 66  and name  HA   )(resid   66  and name   HN   )  3.0 1.2 0.5
assign (resid 66  and name  HB1  )(resid   66  and name   HN   )  3.0 1.2 0.5
assign (resid 66  and name  HB2  )(resid   66  and name   HN   )  3.0 1.2 0.5
assign (resid 66  and name  HD21 )(resid   66  and name   HN   )  4.0 2.2 1.0
assign (resid 66  and name  HD22 )(resid   66  and name   HN   )  4.0 2.2 1.0
assign (resid 66  and name  HD21 )(resid   66  and name   HB1  )  4.0 2.2 1.0
assign (resid 66  and name  HD22 )(resid   66  and name   HB2  )  4.0 2.2 1.0
assign (resid 66  and name  HA   )(resid   67  and name   HD1  )  3.0 1.2 0.5 
assign (resid 66  and name  HA   )(resid   67  and name   HD2  )  3.0 1.2 0.5 
assign (resid 66  and name  HN   )(resid   67  and name   HD#  )  4.0 2.2 1.0 
assign (resid 67  and name  HA   )(resid   67  and name   HB#  )  4.0 2.2 1.0
assign (resid 67  and name  HA   )(resid   67  and name   HG#  )  4.0 2.2 1.0
assign (resid 67  and name  HB#  )(resid   68  and name   HN   )  4.0 2.2 1.0
assign (resid 67  and name  HA   )(resid   68  and name   HN   )  3.0 1.2 0.5
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assign (resid 68  and name  HA   )(resid   69  and name   HD1  )  4.0 2.2 1.0
assign (resid 68  and name  HA   )(resid   69  and name   HD2  )  4.0 2.2 1.0
assign (resid 68  and name  HE1  )(resid   68  and name   HD2  )  4.0 2.2 1.0
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assign (resid 68  and name  HD1  )(resid   68  and name   HE1  )  4.0 2.2 1.0
assign (resid 68  and name  HA   )(resid   69  and name   HD1  )  4.0 2.2 1.0
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assign (resid 68  and name  HE1  )(resid   70  and name   HB2  )  4.0 2.2 1.0
assign (resid 68  and name  HE1  )(resid   70  and name   HG1  )  4.0 2.2 1.0
assign (resid 68  and name  HE1  )(resid   70  and name   HG2  )  4.0 2.2 1.0
assign (resid 68  and name  HE1  )(resid   70  and name   HN   )  4.0 2.2 1.0
assign (resid 69  and name  HA   )(resid   70  and name   HN   )  4.0 2.2 1.0
assign (resid 69  and name  HD#  )(resid   70  and name   HN   )  4.0 2.2 1.0
assign (resid 69  and name  HA   )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 69  and name  HA   )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 70  and name  HA   )(resid   70  and name   HN   )  3.0 1.2 0.5
assign (resid 70  and name  HZ#  )(resid   70  and name   HB1  )  4.0 2.2 1.0
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assign (resid 70  and name  HZ#  )(resid   70  and name   HG#  )  4.0 2.2 1.0
assign (resid 70  and name  HZ#  )(resid   70  and name   HD#  )  4.0 2.2 1.0
assign (resid 70  and name  HZ#  )(resid   70  and name   HE#  )  4.0 2.2 1.0
assign (resid 70  and name  HA   )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 70  and name  HN   )(resid   71  and name   HN   )  3.0 1.2 0.5
assign (resid 70  and name  HZ#  )(resid   71  and name   HB1  )  4.0 2.2 1.0
assign (resid 70  and name  HZ#  )(resid   71  and name   HB2  )  4.0 2.2 1.0
assign (resid 71  and name  HG#  )(resid   71  and name   HN   )  3.0 1.2 0.5
assign (resid 71  and name  HA   )(resid   71  and name   HN   )  3.0 1.2 0.5
assign (resid 71  and name  HB1  )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 71  and name  HB2  )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 71  and name  HB1  )(resid   71  and name   HE21 )  4.0 2.2 1.0
assign (resid 71  and name  HB2  )(resid   71  and name   HE21 )  4.0 2.2 1.0
assign (resid 71  and name  HB1  )(resid   71  and name   HE22 )  4.0 2.2 1.0
assign (resid 71  and name  HB2  )(resid   71  and name   HE22 )  4.0 2.2 1.0
assign (resid 71  and name  HG#  )(resid   71  and name   HE21 )  4.0 2.2 1.0
assign (resid 71  and name  HG#  )(resid   71  and name   HE22 )  4.0 2.2 1.0
assign (resid 71  and name  HB#  )(resid   72  and name   HN   )  4.0 2.2 1.0
assign (resid 71  and name  HG#  )(resid   72  and name   HN   )  4.0 2.2 1.0
assign (resid 71  and name  HA   )(resid   72  and name   HN   )  3.0 1.2 0.5
assign (resid 72  and name  HB#  )(resid   72  and name   HN   )  4.0 2.2 1.0
assign (resid 72  and name  HA   )(resid   72  and name   HN   )  4.0 2.2 1.0
assign (resid 72  and name  HA   )(resid   73  and name   HD1  )  3.0 1.2 0.5
assign (resid 72  and name  HA   )(resid   73  and name   HD2  )  3.0 1.2 0.5
assign (resid 73  and name  HA   )(resid   74  and name   HN   )  2.5 0.7 0.2
assign (resid 73  and name  HB1  )(resid   74  and name   HN   )  4.0 2.2 1.0
assign (resid 73  and name  HB2  )(resid   74  and name   HN   )  4.0 2.2 1.0
assign (resid 74  and name  HA1  )(resid   74  and name   HN   )  3.0 1.2 0.5
assign (resid 74  and name  HA2  )(resid   74  and name   HN   )  4.0 2.2 1.0

assign (resid 75  and name  HA   )(resid   76  and name   HN   )  3.0 1.2 0.5
assign (resid 75  and name  HB#  )(resid   76  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HH#  )(resid   39  and name   HG#  )  4.0 2.2 1.5
assign (resid 76  and name  HB#  )(resid   76  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HG#  )(resid   76  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HA   )(resid   76  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HH#  )(resid   76  and name   HD#  )  4.0 2.2 1.0
assign (resid 76  and name  HH#  )(resid   76  and name   HG#  )  4.0 2.2 1.0
assign (resid 76  and name  HH#  )(resid   76  and name   HB#  )  4.0 2.2 1.0
assign (resid 76  and name  HN   )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HB#  )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HA   )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HB#  )(resid   79  and name   HN   )  4.0 2.2 1.0
assign (resid 76  and name  HN   )(resid   84  and name   HA   )  4.0 2.2 1.0
assign (resid 76  and name  HN   )(resid   84  and name   HB#  )  4.0 2.2 1.0
assign (resid 76  and name  HN   )(resid   85  and name   HD#  )  4.0 2.2 1.0
assign (resid 76  and name  HN   )(resid   85  and name   HE#  )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid    6  and name   HA   )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid    6  and name   HA   )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid    6  and name   HB   )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid    6  and name   HB   )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid    6  and name   HG2# )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid    6  and name   HG2# )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid    7  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid   11  and name   HG1# )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid   11  and name   HD1# )  3.0 1.2 1.0
assign (resid 77  and name  HE#  )(resid   11  and name   HB   )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid   11  and name   HB   )  3.0 1.2 0.5
assign (resid 77  and name  HD#  )(resid   11  and name   HD1# )  3.0 1.2 1.0
assign (resid 77  and name  HD#  )(resid   11  and name   HG2# )  3.0 1.2 1.0
assign (resid 77  and name  HN   )(resid   39  and name   HG#  )  4.0 2.2 1.5
assign (resid 77  and name  HB1  )(resid   68  and name   HD1  )  4.0 2.2 1.0
assign (resid 77  and name  HB1  )(resid   68  and name   HD2  )  4.0 2.2 1.0
assign (resid 77  and name  HB2  )(resid   68  and name   HD2  )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HE#  )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HA   )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HB1  )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HB2  )(resid   77  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid   78  and name   HA   )  4.0 2.2 1.0
assign (resid 77  and name  HA   )(resid   78  and name   HN   )  3.0 1.2 0.5
assign (resid 77  and name  HB1  )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HB2  )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HN   )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 77  and name  HD#  )(resid   84  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   30  and name   HB#  )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   30  and name   HB#  )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   36  and name   HB1  )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   36  and name   HB2  )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   36  and name   HB1  )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   36  and name   HB2  )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   36  and name   HG1  )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   36  and name   HG2  )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   36  and name   HG1  )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   36  and name   HG2  )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   39  and name   HA   )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   39  and name   HA   )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   39  and name   HG1# )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   39  and name   HG2# )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   39  and name   HG1# )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   39  and name   HG2# )  4.0 2.2 1.0
assign (resid 78  and name  HA   )(resid   39  and name   HA   )  2.5 0.7 0.5
assign (resid 78  and name  HA   )(resid   39  and name   HG1# )  3.0 1.2 1.0
assign (resid 78  and name  HA   )(resid   39  and name   HG2# )  3.0 1.2 1.0
assign (resid 78  and name  HA   )(resid   40  and name   HG2# )  3.0 1.2 1.0
assign (resid 78  and name  HA   )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HA   )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HB1  )(resid   78  and name   HA   )  3.0 1.2 0.5
assign (resid 78  and name  HB2  )(resid   78  and name   HA   )  3.0 1.2 0.5
assign (resid 78  and name  HB1  )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HB2  )(resid   78  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HA   )(resid   79  and name   HN   )  3.0 1.2 0.5
assign (resid 78  and name  HB1  )(resid   79  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HB2  )(resid   79  and name   HN   )  3.0 1.2 0.5
assign (resid 78  and name  HN   )(resid   79  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HD#  )(resid   79  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HE#  )(resid   79  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HB1  )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HB2  )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HN   )(resid   81  and name   HN   )  4.0 2.2 1.0
assign (resid 78  and name  HN   )(resid   85  and name   HE#  )  4.0 2.2 1.0
assign (resid 78  and name  HN   )(resid   85  and name   HD#  )  4.0 2.2 1.0
assign (resid 79  and name  HN   )(resid   38  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HB#  )(resid   38  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HG#  )(resid   38  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HN   )(resid   39  and name   HA   )  4.0 2.2 1.0
assign (resid 79  and name  HB#  )(resid   40  and name   HG2# )  3.0 1.2 1.0
assign (resid 79  and name  HN   )(resid   40  and name   HG2# )  4.0 2.2 1.0
assign (resid 79  and name  HN   )(resid   40  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HB#  )(resid   68  and name   HD1  )  4.0 2.2 1.0
assign (resid 79  and name  HA   )(resid   79  and name   HN   )  3.0 1.2 0.5
assign (resid 79  and name  HA   )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HB#  )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HG#  )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HN   )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 79  and name  HN   )(resid   81  and name   HN   )  4.0 2.2 1.0
assign (resid 80  and name  HA   )(resid   80  and name   HN   )  3.0 1.2 0.5
assign (resid 80  and name  HB1  )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 80  and name  HB2  )(resid   80  and name   HN   )  4.0 2.2 1.0
assign (resid 80  and name  HA   )(resid   81  and name   HN   )  4.0 2.2 1.0
assign (resid 80  and name  HB1  )(resid   81  and name   HN   )  4.0 2.2 1.0
assign (resid 80  and name  HB2  )(resid   81  and name   HN   )  4.0 2.2 1.0
assign (resid 80  and name  HN   )(resid   81  and name   HN   )  4.0 2.2 1.0
assign (resid 81  and name  HN   )(resid   68  and name   HD1  )  4.0 2.2 1.0
assign (resid 81  and name  HN   )(resid   68  and name   HE1  )  4.0 2.2 1.0
assign (resid 81  and name  HN   )(resid   72  and name   HN   )  4.0 2.2 1.0
assign (resid 81  and name  HN   )(resid   81  and name   HA   )  4.0 2.2 1.0
assign (resid 81  and name  HN   )(resid   81  and name   HB1  )  4.0 2.2 1.0
assign (resid 81  and name  HN   )(resid   81  and name   HB2  )  4.0 2.2 1.0
assign (resid 81  and name  HA   )(resid   81  and name   HB1  )  4.0 2.2 1.0
assign (resid 81  and name  HA   )(resid   81  and name   HB2  )  4.0 2.2 1.0
assign (resid 81  and name  HA   )(resid   82  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HN   )(resid   83  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HA   )(resid   11  and name   HD1# )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   68  and name   HB#  )  4.0 2.2 1.0  
assign (resid 82  and name  HD2# )(resid   68  and name   HD2  )  4.0 2.2 1.0 
assign (resid 82  and name  HD2# )(resid   68  and name   HE1  )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   68  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   70  and name   HB2  )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   70  and name   HG#  )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   70  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HD1# )(resid   71  and name   HA   )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   71  and name   HA   )  4.0 2.2 1.0
assign (resid 82  and name  HD1# )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   71  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HD1# )(resid   71  and name   HE21 )  4.0 2.2 1.0
assign (resid 82  and name  HD1# )(resid   71  and name   HE22 )  4.0 2.2 1.0
assign (resid 82  and name  HA   )(resid   82  and name   HG   )  4.0 2.2 1.0
assign (resid 82  and name  HA   )(resid   82  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HA   )(resid   82  and name   HD2# )  3.0 1.2 1.0
assign (resid 82  and name  HA   )(resid   83  and name   HN   )  3.0 1.2 0.5
assign (resid 82  and name  HB#  )(resid   83  and name   HN   )  4.0 2.2 1.0
assign (resid 82  and name  HD2# )(resid   83  and name   HN   )  4.0 2.2 1.0
assign (resid 83  and name  HA   )(resid   83  and name   HN   )  3.0 1.2 0.5
assign (resid 83  and name  HA   )(resid   84  and name   HN   )  2.5 0.7 0.2
assign (resid 83  and name  HB1  )(resid   84  and name   HN   )  4.0 2.2 1.0
assign (resid 83  and name  HB2  )(resid   84  and name   HN   )  4.0 2.2 1.0
assign (resid 83  and name  HG#  )(resid   85  and name   HD#  )  4.0 2.2 1.0
assign (resid 83  and name  HD#  )(resid   85  and name   HD#  )  4.0 2.2 1.0
assign (resid 84  and name  HA   )(resid   84  and name   HN   )  3.0 1.2 0.5
assign (resid 84  and name  HA   )(resid   84  and name   HB#  )  3.0 1.2 0.5
assign (resid 84  and name  HA   )(resid   85  and name   HN   )  4.0 2.2 1.0
assign (resid 84  and name  HB#  )(resid   85  and name   HN   )  4.0 2.2 1.0
assign (resid 85  and name  HD#  )(resid   85  and name   HE#  )  3.0 1.2 0.5
assign (resid 85  and name  HE#  )(resid   85  and name   HB1  )  4.0 2.2 1.0
assign (resid 85  and name  HE#  )(resid   85  and name   HB2  )  4.0 2.2 1.0
assign (resid 85  and name  HD#  )(resid   85  and name   HA   )  4.0 2.2 1.0
assign (resid 85  and name  HD#  )(resid   85  and name   HB1  )  3.0 1.2 0.5
assign (resid 85  and name  HD#  )(resid   85  and name   HB2  )  3.0 1.2 0.5
assign (resid 85  and name  HD#  )(resid   85  and name   HN   )  4.0 2.2 1.0
assign (resid 85  and name  HA   )(resid   86  and name   HD#  )  4.0 2.2 1.0
assign (resid 86  and name  HA   )(resid   86  and name   HB1  )  4.0 2.2 1.0
assign (resid 86  and name  HA   )(resid   86  and name   HB2  )  4.0 2.2 1.0
assign (resid 86  and name  HA   )(resid   87  and name   HN   )  4.0 2.2 1.0
assign (resid 86  and name  HB1  )(resid   87  and name   HN   )  4.0 2.2 1.0
assign (resid 86  and name  HB2  )(resid   87  and name   HN   )  4.0 2.2 1.0
assign (resid 86  and name  HD#  )(resid   87  and name   HN   )  4.0 2.2 1.0
assign (resid 87  and name  HA   )(resid   87  and name   HN   )  3.0 1.2 0.5


!DIHEDRAL ANGLES CONSTRAINTS 
!PHI ANGLES

!THE TOXIN MOLECULE (RESIDUES 1-74)

!!CYS 3
assign (resid  2 and name c )  (resid  3 and name n )
       (resid  3 and name ca)  (resid  3 and name c ) 1.0 -120.0 20.0 2
!!THR 5
assign (resid  4 and name c )  (resid  5 and name n )
       (resid  5 and name ca)  (resid  5 and name c ) 1.0 -120.0 20.0 2
!!THR 6
assign (resid  5 and name c )  (resid  6 and name n )
       (resid  6 and name ca)  (resid  6 and name c ) 1.0  -65.0 25.0 2
!!ALA 7
assign (resid  6 and name c )  (resid  7 and name n )
       (resid  7 and name ca)  (resid  7 and name c ) 1.0  -65.0 25.0 2
!!THR 8
assign (resid  7 and name c )  (resid  8 and name n )
       (resid  8 and name ca)  (resid  8 and name c ) 1.0 -120.0 20.0 2
!!SER 9
assign (resid  8 and name c )  (resid  9 and name n )
       (resid  9 and name ca)  (resid  9 and name c ) 1.0 -120.0 50.0 2
!!SER 12
assign (resid 11 and name c )  (resid 12 and name n )
       (resid 12 and name ca)  (resid 12 and name c ) 1.0 -120.0 50.0 2
!!ALA 13
assign (resid 12 and name c )  (resid 13 and name n )
       (resid 13 and name ca)  (resid 13 and name c ) 1.0 -120.0 50.0 2
!!VAL 14
assign (resid 13 and name c )  (resid 14 and name n )
       (resid 14 and name ca)  (resid 14 and name c ) 1.0 -120.0 50.0 2
!!GLU 20
assign (resid 19 and name c )  (resid 20 and name n )
       (resid 20 and name ca)  (resid 20 and name c ) 1.0 -120.0 50.0 2
!!ASN 21
 assign (resid 20 and name c )  (resid 21 and name n )
        (resid 21 and name ca)  (resid 21 and name c ) 1.0 -120.0 50.0 2
!!LEU 22
assign (resid 21 and name c )  (resid 22 and name n )
       (resid 22 and name ca)  (resid 22 and name c ) 1.0 -120.0 50.0 2
!!CYS 23
assign (resid 22 and name c )  (resid 23 and name n )
       (resid 23 and name ca)  (resid 23 and name c ) 1.0 -120.0 20.0 2
!!TYR 24
assign (resid 23 and name c )  (resid 24 and name n )
       (resid 24 and name ca)  (resid 24 and name c ) 1.0 -120.0 50.0 2
!!ARG 25
assign (resid 24 and name c )  (resid 25 and name n )
       (resid 25 and name ca)  (resid 25 and name c ) 1.0 -120.0 50.0 2
!!LYS 26
 assign (resid 25 and name c )  (resid 26 and name n )
        (resid 26 and name ca)  (resid 26 and name c ) 1.0 -120.0 50.0 2
!!MET 27
assign (resid 26 and name c )  (resid 27 and name n )
       (resid 27 and name ca)  (resid 27 and name c ) 1.0 -120.0 50.0 2
!!ASP 30
 assign (resid 29 and name c )  (resid 30 and name n )
        (resid 30 and name ca)  (resid 30 and name c ) 1.0 -120.0 50.0 2
      (resid 31 and name ca)  (resid 31 and name c ) 1.0 -110.0 70.0 2
!!PHE 32
assign (resid 31 and name c )  (resid 32 and name n )
       (resid 32 and name ca)  (resid 32 and name c ) 1.0 -120.0 20.0 2
!!SER 34
 assign (resid 33 and name c )  (resid 34 and name n )
        (resid 34 and name ca)  (resid 34 and name c ) 1.0 -120.0 50.0 2
!!SER 35
assign (resid 34 and name c )  (resid 35 and name n )
       (resid 35 and name ca)  (resid 35 and name c ) 1.0 -120.0 50.0 2
!!ARG 36
assign (resid 35 and name c )  (resid 36 and name n )
       (resid 36 and name ca)  (resid 36 and name c ) 1.0 -120.0 50.0 2
!!LYS 38
 assign (resid 37 and name c )  (resid 38 and name n )
        (resid 38 and name ca)  (resid 38 and name c ) 1.0 -65.0 25.0 2
!!VAL 39
assign (resid 38 and name c )  (resid 39 and name n )
       (resid 39 and name ca)  (resid 39 and name c ) 1.0 -120.0 50.0 2
!!VAL 40
assign (resid 39 and name c )  (resid 40 and name n )
       (resid 40 and name ca)  (resid 40 and name c ) 1.0 -120.0 50.0 2
!!GLU 41
 assign (resid 40 and name c )  (resid 41 and name n )
        (resid 41 and name ca)  (resid 41 and name c ) 1.0 -120.0 20.0 2
!!LEU 42
assign (resid 41 and name c )  (resid 42 and name n )
       (resid 42 and name ca)  (resid 42 and name c ) 1.0 -120.0 50.0 2
!!CYS 44
assign (resid 43 and name c )  (resid 44 and name n )
       (resid 44 and name ca)  (resid 44 and name c ) 1.0 -120.0 50.0 2
!!ALA 45
 assign (resid 44 and name c )  (resid 45 and name n )
        (resid 45 and name ca)  (resid 45 and name c ) 1.0 -120.0 50.0 2
!!ALA 46
 assign (resid 45 and name c )  (resid 46 and name n )
        (resid 46 and name ca)  (resid 46 and name c ) 1.0 -65.0 25.0 2
!!THR 47
assign (resid 46 and name c )  (resid 47 and name n )
       (resid 47 and name ca)  (resid 47 and name c ) 1.0 -120.0 50.0 2
!!CYS 48
assign (resid 47 and name c )  (resid 48 and name n )
       (resid 48 and name ca)  (resid 48 and name c ) 1.0 -65.0 25.0 2
!!LYS 51
assign (resid 50 and name c )  (resid 51 and name n )
       (resid 51 and name ca)  (resid 51 and name c ) 1.0 -120.0 50.0 2
!!LYS 52
assign (resid 51 and name c )  (resid 52 and name n )
       (resid 52 and name ca)  (resid 52 and name c ) 1.0 -120.0 50.0 2
!!TYR 54
assign (resid 53 and name c )  (resid 54 and name n )
       (resid 54 and name ca)  (resid 54 and name c ) 1.0 -120.0 20.0 2
!!GLU 55
assign (resid 54 and name c )  (resid 55 and name n )
       (resid 55 and name ca)  (resid 55 and name c ) 1.0 -120.0 50.0 2
!!GLU 56
assign (resid 55 and name c )  (resid 56 and name n )
       (resid 56 and name ca)  (resid 56 and name c ) 1.0 -120.0 50.0 2
!!VAL 57
assign (resid 56 and name c )  (resid 57 and name n )
       (resid 57 and name ca)  (resid 57 and name c ) 1.0 -120.0 50.0 2
!!THR 58
assign (resid 57 and name c )  (resid 58 and name n )
       (resid 58 and name ca)  (resid 58 and name c ) 1.0 -120.0 20.0 2
!!CYS 59
assign (resid 58 and name c )  (resid 59 and name n )
       (resid 59 and name ca)  (resid 59 and name c ) 1.0 -120.0 20.0 2
!!CYS 60
assign (resid 59 and name c )  (resid 60 and name n )
       (resid 60 and name ca)  (resid 60 and name c ) 1.0 -120.0 50.0 2
!!SER 61
assign (resid 60 and name c )  (resid 61 and name n )
       (resid 61 and name ca)  (resid 61 and name c ) 1.0 -120.0 20.0 2
!!THR 62
assign (resid 61 and name c )  (resid 62 and name n )
       (resid 62 and name ca)  (resid 62 and name c ) 1.0 -120.0 50.0 2
!!CYS 65
 assign (resid 64 and name c )  (resid 65 and name n )
        (resid 65 and name ca)  (resid 65 and name c ) 1.0  -65.0 25.0 2
!!ASN 66
assign (resid 65 and name c )  (resid 66 and name n )
       (resid 66 and name ca)  (resid 66 and name c ) 1.0 -120.0 20.0 2
!!GLN 71
 assign (resid 70 and name c )  (resid 71 and name n )
        (resid 71 and name ca)  (resid 71 and name c ) 1.0 -120.0 50.0 2

!THE LIBRARY PEPTIDE (RESIDUES 75-87)

!!TYR 77
assign (resid 76 and name c )  (resid 77 and name n )
       (resid 77 and name ca)  (resid 77 and name c ) 1.0 -120.0 20.0 2
!!TYR 78
assign (resid 77 and name c )  (resid 78 and name n )
       (resid 78 and name ca)  (resid 78 and name c ) 1.0 -120.0 50.0 2
!!GLU 79
 assign (resid 78 and name c )  (resid 79 and name n )
        (resid 79 and name ca)  (resid 79 and name c ) 1.0 -120.0 50.0 2
!!LEU 82
assign (resid 81 and name c )  (resid 82 and name n )
       (resid 82 and name ca)  (resid 82 and name c ) 1.0 -120.0 20.0 2
!!LYS 83
 assign (resid 82 and name c )  (resid 83 and name n )
        (resid 83 and name ca)  (resid 83 and name c ) 1.0 -120.0 50.0 2
!!TYR 85
assign (resid 84 and name c )  (resid 85 and name n )
       (resid 85 and name ca)  (resid 85 and name c ) 1.0 -120.0 50.0 2


!! Chi1 angle constraint
!THE TOXIN MOLECULE (RESIDUES 1-74)

! ILE 1 
assign (resid   1 and name n   )      ( resid   1 and name ca  )  
       (resid   1 and name cb  )      ( resid   1 and name cg1  ) 1.0  60.0 60.0 2 

! VAL 2 
assign (resid   2 and name n   )      ( resid   2 and name ca  )  
       (resid   2 and name cb  )      ( resid   2 and name cg1  ) 1.0 180.0 60.0 2 

! HIS 4     
assign (resid   4 and name n   )      ( resid   4 and name ca  )  
       (resid   4 and name cb  )      ( resid   4 and name cg  ) 1.0 -60.0 60.0 2 

! THR 8     
assign (resid   8 and name n   )      ( resid   8 and name ca  )  
       (resid   8 and name cb  )      ( resid   8 and name og1 ) 1.0 60.0 60.0 2 

! ILE 11
assign (resid   11 and name n   )       ( resid  11 and name ca  )  
       (resid   11 and name cb  )      ( resid  11 and name cg1 ) 1.0  -60.0 60.0 2

! VAL 14
assign (resid   14 and name n   )      ( resid  14 and name ca  )  
       (resid   14 and name cb  )      ( resid  14 and name cg1 ) 1.0  -60.0 60.0 2     

! THR 15
assign (resid   15 and name n   )      ( resid  15 and name ca  )  
       (resid   15 and name cb  )      ( resid  15 and name og1 )  1.0 -60.0 60.0 2

! CYS 16
assign (resid   16 and name n   )       ( resid  16 and name ca  )  
       (resid   16 and name cb  )      ( resid  16 and name sg  )  1.0 -60.0 60.0 2

! CYS 23  
assign (resid   23 and name n   )      ( resid  23 and name ca  )  
       (resid   23 and name cb  )      ( resid  23 and name sg  ) 1.0 -60.0 60.0 2
 
! ARG 25  
assign (resid   25 and name n   )      ( resid  25 and name ca  )  
       (resid   25 and name cb  )      ( resid  25 and name cg  ) 1.0 -60.0 60.0 2 

! LYS 26  
assign (resid   26 and name n   )     ( resid  26 and name ca  )  
       (resid   26 and name cb  )     ( resid  26 and name cg  )  1.0 -60.0 60.0 2

! MET 27
assign (resid   27 and name n   )       ( resid  27 and name ca  )  
       (resid   27 and name cb  )       ( resid  27 and name cg  ) 1.0 -60.0 60.0 2
 
! PHE 32  
assign (resid   32 and name n   )      ( resid  32 and name ca  )  
       (resid   32 and name cb  )      ( resid  32 and name cg  )  1.0 -60.0 60.0 2  

! ARG 36 
assign (resid   36 and name n   )      ( resid  36 and name ca  )  
       (resid   36 and name cb  )      ( resid  36 and name cg  ) 1.0 -60.0 60.0 2 

! VAL 39
assign (resid   39 and name n   )       ( resid  39 and name ca  )  
       (resid   39 and name cb  )       ( resid  39 and name cg1 ) 1.0 180.0 60.0 2 

! VAL 40
assign (resid   40 and name n   )       ( resid  40 and name ca  )  
       (resid   40 and name cb  )       ( resid  40 and name cg1 ) 1.0 180.0 60.0 2 

! GLU 41
assign (resid   41 and name n   )       ( resid  41 and name ca  ) 
       (resid   41 and name cb  )       ( resid  41 and name cg  ) 1.0 -60.0 60.0 2 

! CYS 44 
assign (resid   44 and name n   )       ( resid  44 and name ca  )  
       (resid   44 and name cb  )       ( resid  44 and name sg  )  1.0 -60.0 60.0 2  

! CYS 48
assign (resid   48 and name n   )       ( resid  48 and name ca  )  
       (resid   48 and name cb  )       ( resid  48 and name sg  ) 1.0 -120.0 120.0 2  
  
! SER 50
assign (resid   50 and name n   )       ( resid  50 and name ca  )  
       (resid   50 and name cb  )       ( resid  50 and name og  ) 1.0 -120.0 120.0 2  

! LYS 52
assign (resid   52 and name n   )       ( resid  52 and name ca  )  
       (resid   52 and name cb  )       ( resid  52 and name cg  ) 1.0 -60.0 60.0 2  

! GLU 55 
assign (resid   55 and name n   )       ( resid  55 and name ca  )  
       (resid   55 and name cb  )       ( resid  55 and name cg  ) 1.0 -60.0 60.0 2  

! CYS 59
 assign (resid   59 and name n   )       ( resid  59 and name ca  )  
        (resid   59 and name cb  )       ( resid  59 and name sg  ) 1.0 -60.0 60.0 2  

! THR 62 
assign (resid   62 and name n   )       ( resid  62 and name ca  )  
       (resid   62 and name cb  )       ( resid  62 and name og1  ) 1.0 -60.0 60.0 2 

! ASP 63
assign (resid   63 and name n   )       ( resid  63 and name ca  )  
       (resid   63 and name cb  )       ( resid  63 and name cg  ) 1.0 -60.0 60.0 2  
 
! LYS 70 
assign (resid   70 and name n   )       ( resid  70 and name ca  )  
       (resid   70 and name cb  )       ( resid  70 and name cg  ) 1.0 -60.0 60.0 2  


!THE LIBRARY PEPTIDE (RESIDUES 75-87)

! MET 75
assign (resid 75 and name n )  (resid 75 and name ca )
       (resid 75 and name cb)  (resid 75 and name cg) 1.0 -120.0 120.0 2 

! TYR 77
assign (resid 77 and name n )  (resid 77 and name ca)
       (resid 77 and name cb)  (resid 77 and name cg) 1.0 -60.0 60.0 2 

! TYR 78
assign (resid 78 and name n )  (resid 78 and name ca)
       (resid 78 and name cb)  (resid 78 and name cg) 1.0 -60.0 60.0 2

! LYS 83
assign (resid 83 and name n )  (resid 83 and name ca)
       (resid 83 and name cb)  (resid 83 and name cg) 1.0 -60.0 60.0 2 


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ILE   1          3H        ILE   1   6.739  16.123  16.123
    2   2H    ILE   1          2H        ILE   1   8.173  15.564  15.564
    3   3H    ILE   1          1H        ILE   1   7.008  16.370  16.370
    4    HA   ILE   1           HA       ILE   1   5.748  14.535  14.535
    5    HB   ILE   1           HB       ILE   1   7.186  12.616  12.616
    6   1HG1  ILE   1          2HG1      ILE   1   8.851  13.988  13.988
    7   2HG1  ILE   1          1HG1      ILE   1   7.944  12.485  12.485
    8   1HG2  ILE   1          1HG2      ILE   1   7.799  14.827  14.827
    9   2HG2  ILE   1          3HG2      ILE   1   9.148  14.900  14.900
   10   3HG2  ILE   1          2HG2      ILE   1   8.994  13.530  13.530
   11   1HD1  ILE   1          2HD1      ILE   1   9.410  11.708  11.708
   12   2HD1  ILE   1          1HD1      ILE   1  10.487  12.996  12.996
   13   3HD1  ILE   1          3HD1      ILE   1  10.084  11.668  11.668
   14    H    VAL   2           H        VAL   2   4.236  13.252  13.252
   15    HA   VAL   2           HA       VAL   2   4.644  12.792  12.792
   16    HB   VAL   2           HB       VAL   2   1.997  13.200  13.200
   17   1HG1  VAL   2          2HG1      VAL   2   2.422  12.316  12.316
   18   2HG1  VAL   2          1HG1      VAL   2   2.659  14.031  14.031
   19   3HG1  VAL   2          3HG1      VAL   2   1.129  13.467  13.467
   20   1HG2  VAL   2          2HG2      VAL   2   4.094  15.182  15.182
   21   2HG2  VAL   2          1HG2      VAL   2   2.802  15.281  15.281
   22   3HG2  VAL   2          3HG2      VAL   2   2.456  15.595  15.595
   23    H    CYS   3           H        CYS   3   3.526  10.849  10.849
   24    HA   CYS   3           HA       CYS   3   2.995   8.812   8.812
   25   1HB   CYS   3          2HB       CYS   3   4.173   8.164   8.164
   26   2HB   CYS   3          1HB       CYS   3   4.328   7.304   7.304
   27    H    HIS   4           H        HIS   4   1.401   7.216   7.216
   28    HA   HIS   4           HA       HIS   4  -0.543   8.110   8.110
   29   1HB   HIS   4          2HB       HIS   4  -0.776   5.942   5.942
   30   2HB   HIS   4          1HB       HIS   4  -2.078   6.726   6.726
   31    HD1  HIS   4           HD1      HIS   4  -2.037   9.506   9.506
   32    HD2  HIS   4           HD2      HIS   4  -0.479   7.035   7.035
   33    HE1  HIS   4           HE1      HIS   4  -2.018  10.873  10.873
   34    H    THR   5           H        THR   5  -1.366   6.563   6.563
   35    HA   THR   5           HA       THR   5   0.450   4.205   4.205
   36    HB   THR   5           HB       THR   5   0.788   4.699   4.699
   37    HG1  THR   5           HG1      THR   5  -1.330   4.366   4.366
   38   1HG2  THR   5          3HG2      THR   5   1.024   6.919   6.919
   39   2HG2  THR   5          2HG2      THR   5  -0.260   7.467   7.467
   40   3HG2  THR   5          1HG2      THR   5   1.284   6.938   6.938
   41    H    THR   6           H        THR   6  -0.702   2.572   2.572
   42    HA   THR   6           HA       THR   6  -3.587   2.340   2.340
   43    HB   THR   6           HB       THR   6  -2.711  -0.006  -0.006
   44    HG1  THR   6           HG1      THR   6  -0.637   1.065   1.065
   45   1HG2  THR   6          2HG2      THR   6  -4.628   1.567   1.567
   46   2HG2  THR   6          1HG2      THR   6  -3.458   2.486   2.486
   47   3HG2  THR   6          3HG2      THR   6  -3.811   0.808   0.808
   48    H    ALA   7           H        ALA   7  -0.459   1.459   1.459
   49    HA   ALA   7           HA       ALA   7  -1.409  -0.858  -0.858
   50   1HB   ALA   7          2HB       ALA   7   1.132   0.355   0.355
   51   2HB   ALA   7          1HB       ALA   7   1.204  -0.537  -0.537
   52   3HB   ALA   7          3HB       ALA   7   0.652  -1.348  -1.348
   53    H    THR   8           H        THR   8  -1.855   2.276   2.276
   54    HA   THR   8           HA       THR   8  -0.860   2.117   2.117
   55    HB   THR   8           HB       THR   8  -1.353   4.518   4.518
   56    HG1  THR   8           HG1      THR   8  -2.878   5.173   5.173
   57   1HG2  THR   8          2HG2      THR   8   0.045   3.598   3.598
   58   2HG2  THR   8          1HG2      THR   8   0.130   5.239   5.239
   59   3HG2  THR   8          3HG2      THR   8   0.788   3.893   3.893
   60    H    SER   9           H        SER   9  -3.848   3.100   3.100
   61    HA   SER   9           HA       SER   9  -5.528   1.386   1.386
   62   1HB   SER   9          2HB       SER   9  -5.688   2.677   2.677
   63   2HB   SER   9          1HB       SER   9  -4.737   3.951   3.951
   64    HG   SER   9           HG       SER   9  -7.528   3.478   3.478
   65    HA   PRO  10           HA       PRO  10  -8.124   3.871   3.871
   66   1HB   PRO  10          2HB       PRO  10  -7.717   6.553   6.553
   67   2HB   PRO  10          1HB       PRO  10  -8.510   5.879   5.879
   68   1HG   PRO  10          2HG       PRO  10  -5.908   7.140   7.140
   69   2HG   PRO  10          1HG       PRO  10  -6.818   6.687   6.687
   70   1HD   PRO  10          2HD       PRO  10  -4.640   5.252   5.252
   71   2HD   PRO  10          1HD       PRO  10  -5.281   5.050   5.050
   72    H    ILE  11           H        ILE  11  -6.090   6.446   6.446
   73    HA   ILE  11           HA       ILE  11  -4.236   5.418   5.418
   74    HB   ILE  11           HB       ILE  11  -6.908   4.731   4.731
   75   1HG1  ILE  11          2HG1      ILE  11  -4.136   4.392   4.392
   76   2HG1  ILE  11          1HG1      ILE  11  -5.254   3.164   3.164
   77   1HG2  ILE  11          1HG2      ILE  11  -5.628   6.630   6.630
   78   2HG2  ILE  11          3HG2      ILE  11  -7.024   5.607   5.607
   79   3HG2  ILE  11          2HG2      ILE  11  -7.146   6.892   6.892
   80   1HD1  ILE  11          1HD1      ILE  11  -6.613   4.099   4.099
   81   2HD1  ILE  11          3HD1      ILE  11  -4.939   4.259   4.259
   82   3HD1  ILE  11          2HD1      ILE  11  -5.559   2.688   2.688
   83    H    SER  12           H        SER  12  -3.134   7.291   7.291
   84    HA   SER  12           HA       SER  12  -4.470   9.679   9.679
   85   1HB   SER  12          2HB       SER  12  -4.166  11.037  11.037
   86   2HB   SER  12          1HB       SER  12  -5.007   9.572   9.572
   87    HG   SER  12           HG       SER  12  -3.210   8.848   8.848
   88    H    ALA  13           H        ALA  13  -2.936  11.136  11.136
   89    HA   ALA  13           HA       ALA  13  -0.203  10.073  10.073
   90   1HB   ALA  13          3HB       ALA  13  -1.984  11.453  11.453
   91   2HB   ALA  13          2HB       ALA  13  -0.696  12.609  12.609
   92   3HB   ALA  13          1HB       ALA  13  -0.306  11.049  11.049
   93    H    VAL  14           H        VAL  14   0.996  10.623  10.623
   94    HA   VAL  14           HA       VAL  14   0.908  13.505  13.505
   95    HB   VAL  14           HB       VAL  14   1.275  12.860  12.860
   96   1HG1  VAL  14          2HG1      VAL  14  -0.719  11.604  11.604
   97   2HG1  VAL  14          1HG1      VAL  14   0.292  10.169  10.169
   98   3HG1  VAL  14          3HG1      VAL  14  -0.159  11.096  11.096
   99   1HG2  VAL  14          2HG2      VAL  14   3.470  11.821  11.821
  100   2HG2  VAL  14          1HG2      VAL  14   2.537  10.860  10.860
  101   3HG2  VAL  14          3HG2      VAL  14   2.652  10.348  10.348
  102    H    THR  15           H        THR  15   2.784  14.623  14.623
  103    HA   THR  15           HA       THR  15   4.904  13.932  13.932
  104    HB   THR  15           HB       THR  15   5.176  15.778  15.778
  105    HG1  THR  15           HG1      THR  15   4.037  17.250  17.250
  106   1HG2  THR  15          1HG2      THR  15   6.412  15.376  15.376
  107   2HG2  THR  15          3HG2      THR  15   5.860  17.039  17.039
  108   3HG2  THR  15          2HG2      THR  15   6.982  16.330  16.330
  109    H    CYS  16           H        CYS  16   6.738  12.674  12.674
  110    HA   CYS  16           HA       CYS  16   7.387  11.943  11.943
  111   1HB   CYS  16          2HB       CYS  16   7.307  10.324  10.324
  112   2HB   CYS  16          1HB       CYS  16   7.994   9.731   9.731
  113    HA   PRO  17           HA       PRO  17  11.057  13.469  13.469
  114   1HB   PRO  17          2HB       PRO  17  11.390  15.944  15.944
  115   2HB   PRO  17          1HB       PRO  17  10.411  15.639  15.639
  116   1HG   PRO  17          2HG       PRO  17   9.554  16.114  16.114
  117   2HG   PRO  17          1HG       PRO  17   8.771  16.565  16.565
  118   1HD   PRO  17          2HD       PRO  17   8.015  14.431  14.431
  119   2HD   PRO  17          1HD       PRO  17   7.635  14.605  14.605
  120    HA   PRO  18           HA       PRO  18  13.053  13.937  13.937
  121   1HB   PRO  18          2HB       PRO  18  11.639  12.945  12.945
  122   2HB   PRO  18          1HB       PRO  18  11.562  14.644  14.644
  123   1HG   PRO  18          2HG       PRO  18   9.638  12.437  12.437
  124   2HG   PRO  18          1HG       PRO  18   9.338  14.154  14.154
  125   1HD   PRO  18          2HD       PRO  18   9.221  12.975  12.975
  126   2HD   PRO  18          1HD       PRO  18   9.521  14.701  14.701
  127    H    GLY  19           H        GLY  19  14.070  12.150  12.150
  128   1HA   GLY  19          2HA       GLY  19  15.197  10.055  10.055
  129   2HA   GLY  19          1HA       GLY  19  13.650   9.513   9.513
  130    H    GLU  20           H        GLU  20  11.858   9.313   9.313
  131    HA   GLU  20           HA       GLU  20  12.718   7.617   7.617
  132   1HB   GLU  20          2HB       GLU  20  10.164   8.985   8.985
  133   2HB   GLU  20          1HB       GLU  20  10.220   7.910   7.910
  134   1HG   GLU  20          2HG       GLU  20   9.669   6.411   6.411
  135   2HG   GLU  20          1HG       GLU  20  11.429   6.275   6.275
  136    H    ASN  21           H        ASN  21  13.711   8.423   8.423
  137    HA   ASN  21           HA       ASN  21  13.437  11.208  11.208
  138   1HB   ASN  21          2HB       ASN  21  14.662   8.905   8.905
  139   2HB   ASN  21          1HB       ASN  21  15.125  10.605  10.605
  140   1HD2  ASN  21          2HD2      ASN  21  16.173   9.892   9.892
  141   2HD2  ASN  21          1HD2      ASN  21  14.713  10.558  10.558
  142    H    LEU  22           H        LEU  22  11.514   8.476   8.476
  143    HA   LEU  22           HA       LEU  22   9.952   9.838   9.838
  144   1HB   LEU  22          2HB       LEU  22  10.252   8.054   8.054
  145   2HB   LEU  22          1HB       LEU  22  11.802   8.784   8.784
  146    HG   LEU  22           HG       LEU  22  11.368   6.673   6.673
  147   1HD1  LEU  22          3HD1      LEU  22   9.784   6.068   6.068
  148   2HD1  LEU  22          2HD1      LEU  22  11.308   5.509   5.509
  149   3HD1  LEU  22          1HD1      LEU  22  10.720   4.826   4.826
  150   1HD2  LEU  22          2HD2      LEU  22  13.256   7.476   7.476
  151   2HD2  LEU  22          1HD2      LEU  22  13.585   6.935   6.935
  152   3HD2  LEU  22          3HD2      LEU  22  13.253   5.753   5.753
  153    H    CYS  23           H        CYS  23   8.657   7.440   7.440
  154    HA   CYS  23           HA       CYS  23   7.187   6.648   6.648
  155   1HB   CYS  23          2HB       CYS  23   6.262   6.716   6.716
  156   2HB   CYS  23          1HB       CYS  23   5.259   6.606   6.606
  157    H    TYR  24           H        TYR  24   5.846   4.502   4.502
  158    HA   TYR  24           HA       TYR  24   7.420   2.690   2.690
  159   1HB   TYR  24          2HB       TYR  24   8.210   1.305   1.305
  160   2HB   TYR  24          1HB       TYR  24   8.477   2.925   2.925
  161    HD1  TYR  24           HD1      TYR  24   6.164   0.026   0.026
  162    HD2  TYR  24           HD2      TYR  24   7.331   3.690   3.690
  163    HE1  TYR  24           HE1      TYR  24   4.699  -0.509  -0.509
  164    HE2  TYR  24           HE2      TYR  24   5.872   3.168   3.168
  165    HH   TYR  24           HH       TYR  24   4.567   1.634   1.634
  166    H    ARG  25           H        ARG  25   6.123   1.146   1.146
  167    HA   ARG  25           HA       ARG  25   3.392   0.898   0.898
  168   1HB   ARG  25          2HB       ARG  25   4.175  -0.116  -0.116
  169   2HB   ARG  25          1HB       ARG  25   2.623   0.520   0.520
  170   1HG   ARG  25          2HG       ARG  25   3.852   2.774   2.774
  171   2HG   ARG  25          1HG       ARG  25   5.134   2.049   2.049
  172   1HD   ARG  25          2HD       ARG  25   2.272   1.983   1.983
  173   2HD   ARG  25          1HD       ARG  25   3.311   3.389   3.389
  174    HE   ARG  25           HE       ARG  25   4.962   1.711   1.711
  175   1HH1  ARG  25          1HH2      ARG  25   3.364  -0.736  -0.736
  176   2HH1  ARG  25          2HH2      ARG  25   2.562  -1.086  -1.086
  177   1HH2  ARG  25          2HH1      ARG  25   3.163   2.046   2.046
  178   2HH2  ARG  25          1HH1      ARG  25   2.449   0.489   0.489
  179    H    LYS  26           H        LYS  26   3.167  -1.009  -1.009
  180    HA   LYS  26           HA       LYS  26   4.932  -3.304  -3.304
  181   1HB   LYS  26          2HB       LYS  26   4.179  -2.047  -2.047
  182   2HB   LYS  26          1HB       LYS  26   3.737  -3.745  -3.745
  183   1HG   LYS  26          2HG       LYS  26   5.934  -4.461  -4.461
  184   2HG   LYS  26          1HG       LYS  26   6.446  -2.914  -2.914
  185   1HD   LYS  26          2HD       LYS  26   5.472  -2.390  -2.390
  186   2HD   LYS  26          1HD       LYS  26   6.544  -3.786  -3.786
  187   1HE   LYS  26          2HE       LYS  26   8.377  -2.587  -2.587
  188   2HE   LYS  26          1HE       LYS  26   7.322  -1.257  -1.257
  189   1HZ   LYS  26          1HZ       LYS  26   6.702  -1.265  -1.265
  190   2HZ   LYS  26          3HZ       LYS  26   8.242  -1.955  -1.955
  191   3HZ   LYS  26          2HZ       LYS  26   8.071  -0.425  -0.425
  192    H    MET  27           H        MET  27   3.979  -5.416  -5.416
  193    HA   MET  27           HA       MET  27   1.058  -5.643  -5.643
  194   1HB   MET  27          2HB       MET  27   2.535  -5.352  -5.352
  195   2HB   MET  27          1HB       MET  27   1.803  -6.956  -6.956
  196   1HG   MET  27          2HG       MET  27  -0.358  -6.120  -6.120
  197   2HG   MET  27          1HG       MET  27   0.137  -4.604  -4.604
  198   1HE   MET  27          3HE       MET  27   2.062  -3.163  -3.163
  199   2HE   MET  27          2HE       MET  27   1.397  -2.376  -2.376
  200   3HE   MET  27          1HE       MET  27   0.440  -2.457  -2.457
  201    H    TRP  28           H        TRP  28   0.425  -7.847  -7.847
  202    HA   TRP  28           HA       TRP  28   2.435  -9.952  -9.952
  203   1HB   TRP  28          2HB       TRP  28   2.055 -10.022 -10.022
  204   2HB   TRP  28          1HB       TRP  28   3.339  -9.080  -9.080
  205    HD1  TRP  28           HD1      TRP  28  -0.461  -8.295  -8.295
  206    HE1  TRP  28           HE1      TRP  28  -0.598  -6.049  -6.049
  207    HE3  TRP  28           HE3      TRP  28   4.499  -7.156  -7.156
  208    HZ2  TRP  28           HZ2      TRP  28   1.154  -4.048  -4.048
  209    HZ3  TRP  28           HZ3      TRP  28   5.240  -5.074  -5.074
  210    HH2  TRP  28           HH2      TRP  28   3.571  -3.509  -3.509
  211    H    CYS  29           H        CYS  29   0.186  -9.924  -9.924
  212    HA   CYS  29           HA       CYS  29  -2.126 -10.985 -10.985
  213   1HB   CYS  29          2HB       CYS  29  -0.718 -12.889 -12.889
  214   2HB   CYS  29          1HB       CYS  29  -0.082 -12.842 -12.842
  215    H    ASP  30           H        ASP  30  -3.850 -11.078 -11.078
  216    HA   ASP  30           HA       ASP  30  -3.204 -10.006 -10.006
  217   1HB   ASP  30          2HB       ASP  30  -5.661  -9.699  -9.699
  218   2HB   ASP  30          1HB       ASP  30  -4.982  -9.037  -9.037
  219    H    ALA  31           H        ALA  31  -5.440 -11.129 -11.129
  220    HA   ALA  31           HA       ALA  31  -4.485 -13.316 -13.316
  221   1HB   ALA  31          1HB       ALA  31  -6.865 -11.940 -11.940
  222   2HB   ALA  31          3HB       ALA  31  -7.335 -13.568 -13.568
  223   3HB   ALA  31          2HB       ALA  31  -6.586 -13.304 -13.304
  224    H    PHE  32           H        PHE  32  -6.447 -13.528 -13.528
  225    HA   PHE  32           HA       PHE  32  -5.195 -16.192 -16.192
  226   1HB   PHE  32          2HB       PHE  32  -7.992 -15.471 -15.471
  227   2HB   PHE  32          1HB       PHE  32  -7.799 -16.418 -16.418
  228    HD1  PHE  32           HD2      PHE  32  -5.889 -18.367 -18.367
  229    HD2  PHE  32           HD1      PHE  32  -8.384 -16.713 -16.713
  230    HE1  PHE  32           HE2      PHE  32  -5.575 -20.419 -20.419
  231    HE2  PHE  32           HE1      PHE  32  -8.070 -18.765 -18.765
  232    HZ   PHE  32           HZ       PHE  32  -6.665 -20.618 -20.618
  233    H    CYS  33           H        CYS  33  -4.076 -15.744 -15.744
  234    HA   CYS  33           HA       CYS  33  -4.398 -13.714 -13.714
  235   1HB   CYS  33          2HB       CYS  33  -3.825 -16.624 -16.624
  236   2HB   CYS  33          1HB       CYS  33  -3.303 -15.224 -15.224
  237    H    SER  34           H        SER  34  -6.601 -13.160 -13.160
  238    HA   SER  34           HA       SER  34  -8.598 -15.087 -15.087
  239   1HB   SER  34          2HB       SER  34  -8.283 -12.129 -12.129
  240   2HB   SER  34          1HB       SER  34  -9.598 -12.717 -12.717
  241    HG   SER  34           HG       SER  34  -9.544 -12.541 -12.541
  242    H    SER  35           H        SER  35  -9.721 -14.830 -14.830
  243    HA   SER  35           HA       SER  35  -7.829 -15.246 -15.246
  244   1HB   SER  35          2HB       SER  35 -10.707 -14.561 -14.561
  245   2HB   SER  35          1HB       SER  35  -9.741 -15.854 -15.854
  246    HG   SER  35           HG       SER  35 -11.386 -16.382 -16.382
  247    H    ARG  36           H        ARG  36  -8.964 -12.423 -12.423
  248    HA   ARG  36           HA       ARG  36  -9.113 -10.715 -10.715
  249   1HB   ARG  36          2HB       ARG  36  -9.628 -10.639 -10.639
  250   2HB   ARG  36          1HB       ARG  36  -8.671  -9.231  -9.231
  251   1HG   ARG  36          2HG       ARG  36 -11.194  -8.941  -8.941
  252   2HG   ARG  36          1HG       ARG  36 -10.282  -8.562  -8.562
  253   1HD   ARG  36          2HD       ARG  36 -11.297 -10.226 -10.226
  254   2HD   ARG  36          1HD       ARG  36 -11.039 -11.394 -11.394
  255    HE   ARG  36           HE       ARG  36 -13.032  -9.444  -9.444
  256   1HH1  ARG  36          2HH1      ARG  36 -13.093 -11.225 -11.225
  257   2HH1  ARG  36          1HH1      ARG  36 -14.450 -12.214 -12.214
  258   1HH2  ARG  36          1HH2      ARG  36 -14.521 -11.165 -11.165
  259   2HH2  ARG  36          2HH2      ARG  36 -15.257 -12.181 -12.181
  260    H    GLY  37           H        GLY  37  -6.561 -12.135 -12.135
  261   1HA   GLY  37          2HA       GLY  37  -4.267 -11.809 -11.809
  262   2HA   GLY  37          1HA       GLY  37  -4.662 -10.114 -10.114
  263    H    LYS  38           H        LYS  38  -2.890  -9.414  -9.414
  264    HA   LYS  38           HA       LYS  38  -2.917 -10.166 -10.166
  265   1HB   LYS  38          2HB       LYS  38  -1.178  -8.094  -8.094
  266   2HB   LYS  38          1HB       LYS  38  -0.793  -9.142  -9.142
  267   1HG   LYS  38          2HG       LYS  38   0.269 -10.438 -10.438
  268   2HG   LYS  38          1HG       LYS  38  -1.347 -10.945 -10.945
  269   1HD   LYS  38          2HD       LYS  38  -1.358  -9.568  -9.568
  270   2HD   LYS  38          1HD       LYS  38  -0.269  -8.392  -8.392
  271   1HE   LYS  38          2HE       LYS  38   0.780 -11.148 -11.148
  272   2HE   LYS  38          1HE       LYS  38   0.627  -9.998  -9.998
  273   1HZ   LYS  38          3HZ       LYS  38   1.758  -9.060  -9.060
  274   2HZ   LYS  38          2HZ       LYS  38   2.747  -9.984  -9.984
  275   3HZ   LYS  38          1HZ       LYS  38   2.071  -8.526  -8.526
  276    H    VAL  39           H        VAL  39  -1.869  -7.477  -7.477
  277    HA   VAL  39           HA       VAL  39  -4.444  -5.947  -5.947
  278    HB   VAL  39           HB       VAL  39  -2.231  -5.474  -5.474
  279   1HG1  VAL  39          3HG1      VAL  39  -4.849  -4.537  -4.537
  280   2HG1  VAL  39          2HG1      VAL  39  -4.950  -5.601  -5.601
  281   3HG1  VAL  39          1HG1      VAL  39  -3.826  -4.241  -4.241
  282   1HG2  VAL  39          1HG2      VAL  39  -3.719  -7.985  -7.985
  283   2HG2  VAL  39          3HG2      VAL  39  -2.311  -7.628  -7.628
  284   3HG2  VAL  39          2HG2      VAL  39  -3.930  -7.252  -7.252
  285    H    VAL  40           H        VAL  40  -2.944  -3.628  -3.628
  286    HA   VAL  40           HA       VAL  40  -0.889  -2.996  -2.996
  287    HB   VAL  40           HB       VAL  40  -3.569  -1.566  -1.566
  288   1HG1  VAL  40          1HG1      VAL  40  -0.963  -0.670  -0.670
  289   2HG1  VAL  40          3HG1      VAL  40  -1.843  -0.909  -0.909
  290   3HG1  VAL  40          2HG1      VAL  40  -2.493   0.166   0.166
  291   1HG2  VAL  40          2HG2      VAL  40  -2.213  -3.427  -3.427
  292   2HG2  VAL  40          1HG2      VAL  40  -3.793  -3.627  -3.627
  293   3HG2  VAL  40          3HG2      VAL  40  -3.553  -2.373  -2.373
  294    H    GLU  41           H        GLU  41   0.200  -2.853  -2.853
  295    HA   GLU  41           HA       GLU  41  -0.645  -0.669  -0.669
  296   1HB   GLU  41          2HB       GLU  41   1.439  -2.801  -2.801
  297   2HB   GLU  41          1HB       GLU  41   0.535  -1.896  -1.896
  298   1HG   GLU  41          2HG       GLU  41  -1.407  -3.129  -3.129
  299   2HG   GLU  41          1HG       GLU  41  -0.190  -4.363  -4.363
  300    H    LEU  42           H        LEU  42   0.278   1.002   1.002
  301    HA   LEU  42           HA       LEU  42   3.196   0.981   0.981
  302   1HB   LEU  42          2HB       LEU  42   1.538   3.407   3.407
  303   2HB   LEU  42          1HB       LEU  42   2.777   2.664   2.664
  304    HG   LEU  42           HG       LEU  42   0.852   0.721   0.721
  305   1HD1  LEU  42          2HD1      LEU  42  -0.555   2.535   2.535
  306   2HD1  LEU  42          1HD1      LEU  42  -0.715   3.266   3.266
  307   3HD1  LEU  42          3HD1      LEU  42  -1.305   1.628   1.628
  308   1HD2  LEU  42          3HD2      LEU  42   2.096   2.394   2.394
  309   2HD2  LEU  42          2HD2      LEU  42   0.904   1.171   1.171
  310   3HD2  LEU  42          1HD2      LEU  42   0.404   2.845   2.845
  311    H    GLY  43           H        GLY  43   3.800   3.693   3.693
  312   1HA   GLY  43          2HA       GLY  43   2.959   5.061   5.061
  313   2HA   GLY  43          1HA       GLY  43   3.937   3.776   3.776
  314    H    CYS  44           H        CYS  44   5.620   5.135   5.135
  315    HA   CYS  44           HA       CYS  44   7.135   6.594   6.594
  316   1HB   CYS  44          2HB       CYS  44   7.269   7.029   7.029
  317   2HB   CYS  44          1HB       CYS  44   7.708   8.139   8.139
  318    H    ALA  45           H        ALA  45   9.531   6.505   6.505
  319    HA   ALA  45           HA       ALA  45  10.713   4.702   4.702
  320   1HB   ALA  45          2HB       ALA  45   9.539   3.109   3.109
  321   2HB   ALA  45          1HB       ALA  45  10.373   3.788   3.788
  322   3HB   ALA  45          3HB       ALA  45  11.286   2.926   2.926
  323    H    ALA  46           H        ALA  46  13.063   4.394   4.394
  324    HA   ALA  46           HA       ALA  46  14.240   6.810   6.810
  325   1HB   ALA  46          2HB       ALA  46  14.916   5.676   5.676
  326   2HB   ALA  46          1HB       ALA  46  15.562   4.356   4.356
  327   3HB   ALA  46          3HB       ALA  46  16.252   5.973   5.973
  328    H    THR  47           H        THR  47  13.865   3.410   3.410
  329    HA   THR  47           HA       THR  47  14.539   3.784   3.784
  330    HB   THR  47           HB       THR  47  16.788   3.858   3.858
  331    HG1  THR  47           HG1      THR  47  16.162   2.396   2.396
  332   1HG2  THR  47          2HG2      THR  47  15.732   2.245   2.245
  333   2HG2  THR  47          1HG2      THR  47  16.766   1.128   1.128
  334   3HG2  THR  47          3HG2      THR  47  17.447   2.604   2.604
  335    H    CYS  48           H        CYS  48  13.613   2.074   2.074
  336    HA   CYS  48           HA       CYS  48  11.708   0.350   0.350
  337   1HB   CYS  48          2HB       CYS  48  13.638   0.358   0.358
  338   2HB   CYS  48          1HB       CYS  48  12.848  -1.187  -1.187
  339    HA   PRO  49           HA       PRO  49  14.514  -2.153  -2.153
  340   1HB   PRO  49          2HB       PRO  49  12.817  -2.381  -2.381
  341   2HB   PRO  49          1HB       PRO  49  13.857  -0.968  -0.968
  342   1HG   PRO  49          2HG       PRO  49  10.957  -1.231  -1.231
  343   2HG   PRO  49          1HG       PRO  49  11.941   0.218   0.218
  344   1HD   PRO  49          2HD       PRO  49  10.817  -0.768  -0.768
  345   2HD   PRO  49          1HD       PRO  49  11.828   0.673   0.673
  346    H    SER  50           H        SER  50  14.060  -4.319  -4.319
  347    HA   SER  50           HA       SER  50  13.353  -6.551  -6.551
  348   1HB   SER  50          2HB       SER  50  11.272  -6.496  -6.496
  349   2HB   SER  50          1HB       SER  50  11.158  -4.797  -4.797
  350    HG   SER  50           HG       SER  50   9.609  -6.450  -6.450
  351    H    LYS  51           H        LYS  51  13.931  -7.815  -7.815
  352    HA   LYS  51           HA       LYS  51  12.439  -8.002  -8.002
  353   1HB   LYS  51          2HB       LYS  51  14.076  -5.865  -5.865
  354   2HB   LYS  51          1HB       LYS  51  15.235  -7.089  -7.089
  355   1HG   LYS  51          2HG       LYS  51  13.715  -7.753  -7.753
  356   2HG   LYS  51          1HG       LYS  51  12.561  -6.522  -6.522
  357   1HD   LYS  51          2HD       LYS  51  13.651  -5.192  -5.192
  358   2HD   LYS  51          1HD       LYS  51  14.859  -5.048  -5.048
  359   1HE   LYS  51          2HE       LYS  51  16.278  -6.659  -6.659
  360   2HE   LYS  51          1HE       LYS  51  14.969  -7.324  -7.324
  361   1HZ   LYS  51          1HZ       LYS  51  15.497  -4.479  -4.479
  362   2HZ   LYS  51          3HZ       LYS  51  16.692  -5.513  -5.513
  363   3HZ   LYS  51          2HZ       LYS  51  15.094  -5.634  -5.634
  364    H    LYS  52           H        LYS  52  13.168  -9.911  -9.911
  365    HA   LYS  52           HA       LYS  52  15.270 -11.473 -11.473
  366   1HB   LYS  52          2HB       LYS  52  14.691 -11.868 -11.868
  367   2HB   LYS  52          1HB       LYS  52  16.187 -12.136 -12.136
  368   1HG   LYS  52          2HG       LYS  52  14.973  -9.414  -9.414
  369   2HG   LYS  52          1HG       LYS  52  16.323 -10.125 -10.125
  370   1HD   LYS  52          2HD       LYS  52  17.006 -10.359 -10.359
  371   2HD   LYS  52          1HD       LYS  52  16.346  -8.733  -8.733
  372   1HE   LYS  52          2HE       LYS  52  18.168  -9.537  -9.537
  373   2HE   LYS  52          1HE       LYS  52  18.941  -9.392  -9.392
  374   1HZ   LYS  52          3HZ       LYS  52  17.545  -7.268  -7.268
  375   2HZ   LYS  52          2HZ       LYS  52  17.398  -7.364  -7.364
  376   3HZ   LYS  52          1HZ       LYS  52  18.932  -7.217  -7.217
  377    HA   PRO  53           HA       PRO  53  12.132 -14.706 -14.706
  378   1HB   PRO  53          2HB       PRO  53   9.953 -14.052 -14.052
  379   2HB   PRO  53          1HB       PRO  53  11.536 -14.442 -14.442
  380   1HG   PRO  53          2HG       PRO  53  10.177 -11.859 -11.859
  381   2HG   PRO  53          1HG       PRO  53  11.475 -12.367 -12.367
  382   1HD   PRO  53          2HD       PRO  53  11.679 -10.797 -10.797
  383   2HD   PRO  53          1HD       PRO  53  12.988 -11.329 -11.329
  384    H    TYR  54           H        TYR  54   9.318 -12.671 -12.671
  385    HA   TYR  54           HA       TYR  54   8.720 -12.858 -12.858
  386   1HB   TYR  54          2HB       TYR  54   6.312 -13.498 -13.498
  387   2HB   TYR  54          1HB       TYR  54   7.507 -14.714 -14.714
  388    HD1  TYR  54           HD2      TYR  54   7.122 -12.342 -12.342
  389    HD2  TYR  54           HD1      TYR  54   7.660 -16.403 -16.403
  390    HE1  TYR  54           HE2      TYR  54   7.278 -13.073 -13.073
  391    HE2  TYR  54           HE1      TYR  54   7.816 -17.134 -17.134
  392    HH   TYR  54           HH       TYR  54   8.092 -14.872 -14.872
  393    H    GLU  55           H        GLU  55   9.070 -10.835 -10.835
  394    HA   GLU  55           HA       GLU  55   6.628  -9.287  -9.287
  395   1HB   GLU  55          2HB       GLU  55   9.503  -8.844  -8.844
  396   2HB   GLU  55          1HB       GLU  55   8.307  -7.557  -7.557
  397   1HG   GLU  55          2HG       GLU  55   7.048  -8.731  -8.731
  398   2HG   GLU  55          1HG       GLU  55   7.721 -10.291 -10.291
  399    H    GLU  56           H        GLU  56   5.915  -8.209  -8.209
  400    HA   GLU  56           HA       GLU  56   7.856  -7.356  -7.356
  401   1HB   GLU  56          2HB       GLU  56   4.885  -7.721  -7.721
  402   2HB   GLU  56          1HB       GLU  56   5.517  -6.729  -6.729
  403   1HG   GLU  56          2HG       GLU  56   7.018  -9.206  -9.206
  404   2HG   GLU  56          1HG       GLU  56   5.302  -9.519  -9.519
  405    H    VAL  57           H        VAL  57   8.587  -5.720  -5.720
  406    HA   VAL  57           HA       VAL  57   6.892  -3.433  -3.433
  407    HB   VAL  57           HB       VAL  57   9.915  -3.712  -3.712
  408   1HG1  VAL  57          2HG1      VAL  57   7.913  -1.831  -1.831
  409   2HG1  VAL  57          1HG1      VAL  57   9.478  -2.112  -2.112
  410   3HG1  VAL  57          3HG1      VAL  57   9.400  -1.446  -1.446
  411   1HG2  VAL  57          2HG2      VAL  57   7.737  -4.629  -4.629
  412   2HG2  VAL  57          1HG2      VAL  57   9.133  -5.530  -5.530
  413   3HG2  VAL  57          3HG2      VAL  57   9.349  -4.250  -4.250
  414    H    THR  58           H        THR  58   7.236  -1.250  -1.250
  415    HA   THR  58           HA       THR  58   8.728  -1.144  -1.144
  416    HB   THR  58           HB       THR  58   6.003   0.080   0.080
  417    HG1  THR  58           HG1      THR  58   6.221  -2.573  -2.573
  418   1HG2  THR  58          3HG2      THR  58   7.897  -0.153  -0.153
  419   2HG2  THR  58          2HG2      THR  58   6.819  -1.499  -1.499
  420   3HG2  THR  58          1HG2      THR  58   6.182   0.143   0.143
  421    H    CYS  59           H        CYS  59   8.383   1.357   1.357
  422    HA   CYS  59           HA       CYS  59   8.624   3.129   3.129
  423   1HB   CYS  59          2HB       CYS  59  10.539   2.672   2.672
  424   2HB   CYS  59          1HB       CYS  59  10.489   4.228   4.228
  425    H    CYS  60           H        CYS  60   8.598   5.403   5.403
  426    HA   CYS  60           HA       CYS  60   7.821   6.236   6.236
  427   1HB   CYS  60          2HB       CYS  60   5.580   5.928   5.928
  428   2HB   CYS  60          1HB       CYS  60   5.806   4.964   4.964
  429    H    SER  61           H        SER  61   8.654   8.271   8.271
  430    HA   SER  61           HA       SER  61   8.479   9.927   9.927
  431   1HB   SER  61          2HB       SER  61  10.640  10.831  10.831
  432   2HB   SER  61          1HB       SER  61  10.734   9.072   9.072
  433    HG   SER  61           HG       SER  61  10.638   9.090   9.090
  434    H    THR  62           H        THR  62   6.384  10.825  10.825
  435    HA   THR  62           HA       THR  62   6.822  13.203  13.203
  436    HB   THR  62           HB       THR  62   4.787  11.541  11.541
  437    HG1  THR  62           HG1      THR  62   7.412  10.688  10.688
  438   1HG2  THR  62          1HG2      THR  62   7.065  13.317  13.317
  439   2HG2  THR  62          3HG2      THR  62   6.611  12.109  12.109
  440   3HG2  THR  62          2HG2      THR  62   5.423  13.286  13.286
  441    H    ASP  63           H        ASP  63   4.639  14.349  14.349
  442    HA   ASP  63           HA       ASP  63   3.241  14.775  14.775
  443   1HB   ASP  63          2HB       ASP  63   2.864  15.198  15.198
  444   2HB   ASP  63          1HB       ASP  63   1.333  15.077  15.077
  445    H    LYS  64           H        LYS  64   2.737  12.834  12.834
  446    HA   LYS  64           HA       LYS  64   1.494  10.885  10.885
  447   1HB   LYS  64          2HB       LYS  64  -0.443  12.369  12.369
  448   2HB   LYS  64          1HB       LYS  64  -0.881  11.158  11.158
  449   1HG   LYS  64          2HG       LYS  64  -1.095  12.884  12.884
  450   2HG   LYS  64          1HG       LYS  64   0.666  12.950  12.950
  451   1HD   LYS  64          2HD       LYS  64   0.428  15.061  15.061
  452   2HD   LYS  64          1HD       LYS  64   0.002  14.309  14.309
  453   1HE   LYS  64          2HE       LYS  64  -2.339  14.482  14.482
  454   2HE   LYS  64          1HE       LYS  64  -2.058  14.853  14.853
  455   1HZ   LYS  64          2HZ       LYS  64  -1.111  16.516  16.516
  456   2HZ   LYS  64          1HZ       LYS  64  -2.478  16.866  16.866
  457   3HZ   LYS  64          3HZ       LYS  64  -0.936  16.874  16.874
  458    H    CYS  65           H        CYS  65   3.230   9.968   9.968
  459    HA   CYS  65           HA       CYS  65   1.861   8.998   8.998
  460   1HB   CYS  65          2HB       CYS  65   4.166   8.029   8.029
  461   2HB   CYS  65          1HB       CYS  65   4.051   9.784   9.784
  462    H    ASN  66           H        ASN  66   1.182   8.000   8.000
  463    HA   ASN  66           HA       ASN  66   1.919   5.120   5.120
  464   1HB   ASN  66          2HB       ASN  66   1.663   7.009   7.009
  465   2HB   ASN  66          1HB       ASN  66   0.748   5.535   5.535
  466   1HD2  ASN  66          2HD2      ASN  66   4.573   4.511   4.511
  467   2HD2  ASN  66          1HD2      ASN  66   3.569   5.226   5.226
  468    HA   PRO  67           HA       PRO  67  -2.825   5.640   5.640
  469   1HB   PRO  67          2HB       PRO  67  -3.357   6.054   6.054
  470   2HB   PRO  67          1HB       PRO  67  -3.123   7.386   7.386
  471   1HG   PRO  67          2HG       PRO  67  -1.265   6.293   6.293
  472   2HG   PRO  67          1HG       PRO  67  -1.472   7.956   7.956
  473   1HD   PRO  67          2HD       PRO  67   0.565   6.258   6.258
  474   2HD   PRO  67          1HD       PRO  67   0.026   7.693   7.693
  475    H    HIS  68           H        HIS  68  -3.391   3.483   3.483
  476    HA   HIS  68           HA       HIS  68  -2.322   1.581   1.581
  477   1HB   HIS  68          2HB       HIS  68  -3.001  -0.069  -0.069
  478   2HB   HIS  68          1HB       HIS  68  -2.075   1.209   1.209
  479    HD1  HIS  68           HD1      HIS  68  -5.438  -0.354  -0.354
  480    HD2  HIS  68           HD2      HIS  68  -3.656   3.062   3.062
  481    HE1  HIS  68           HE1      HIS  68  -7.060   0.567   0.567
  482    HA   PRO  69           HA       PRO  69  -6.396   1.088   1.088
  483   1HB   PRO  69          2HB       PRO  69  -7.058  -1.569  -1.569
  484   2HB   PRO  69          1HB       PRO  69  -5.834  -0.934  -0.934
  485   1HG   PRO  69          2HG       PRO  69  -5.494  -2.450  -2.450
  486   2HG   PRO  69          1HG       PRO  69  -4.459  -2.380  -2.380
  487   1HD   PRO  69          2HD       PRO  69  -4.032  -1.059  -1.059
  488   2HD   PRO  69          1HD       PRO  69  -3.193  -0.726  -0.726
  489    H    LYS  70           H        LYS  70  -7.192   2.309   2.309
  490    HA   LYS  70           HA       LYS  70  -8.537   0.732   0.732
  491   1HB   LYS  70          2HB       LYS  70  -8.786   3.591   3.591
  492   2HB   LYS  70          1HB       LYS  70  -7.912   2.450   2.450
  493   1HG   LYS  70          2HG       LYS  70  -6.175   3.809   3.809
  494   2HG   LYS  70          1HG       LYS  70  -6.112   2.632   2.632
  495   1HD   LYS  70          2HD       LYS  70  -7.009   4.110   4.110
  496   2HD   LYS  70          1HD       LYS  70  -7.910   5.001   5.001
  497   1HE   LYS  70          2HE       LYS  70  -5.551   5.710   5.710
  498   2HE   LYS  70          1HE       LYS  70  -4.998   5.235   5.235
  499   1HZ   LYS  70          3HZ       LYS  70  -7.140   6.556   6.556
  500   2HZ   LYS  70          2HZ       LYS  70  -6.862   7.360   7.360
  501   3HZ   LYS  70          1HZ       LYS  70  -5.669   7.358   7.358
  502    H    GLN  71           H        GLN  71  -9.566   3.869   3.869
  503    HA   GLN  71           HA       GLN  71 -12.330   2.930   2.930
  504   1HB   GLN  71          2HB       GLN  71 -10.805   5.465   5.465
  505   2HB   GLN  71          1HB       GLN  71 -12.402   5.429   5.429
  506   1HG   GLN  71          2HG       GLN  71 -13.437   5.538   5.538
  507   2HG   GLN  71          1HG       GLN  71 -12.439   4.241   4.241
  508   1HE2  GLN  71          2HE2      GLN  71 -10.307   6.440   6.440
  509   2HE2  GLN  71          1HE2      GLN  71 -10.745   4.834   4.834
  510    H    ARG  72           H        ARG  72 -11.713   1.241   1.241
  511    HA   ARG  72           HA       ARG  72 -10.945   1.676   1.676
  512   1HB   ARG  72          2HB       ARG  72 -11.842  -0.420  -0.420
  513   2HB   ARG  72          1HB       ARG  72 -13.450   0.140   0.140
  514   1HG   ARG  72          2HG       ARG  72 -13.061  -0.173  -0.173
  515   2HG   ARG  72          1HG       ARG  72 -11.313  -0.010  -0.010
  516   1HD   ARG  72          2HD       ARG  72 -12.051  -2.253  -2.253
  517   2HD   ARG  72          1HD       ARG  72 -12.884  -2.427  -2.427
  518    HE   ARG  72           HE       ARG  72 -10.377  -1.613  -1.613
  519   1HH1  ARG  72          2HH1      ARG  72 -11.831  -4.494  -4.494
  520   2HH1  ARG  72          1HH1      ARG  72 -10.397  -5.378  -5.378
  521   1HH2  ARG  72          1HH2      ARG  72  -8.389  -2.556  -2.556
  522   2HH2  ARG  72          2HH2      ARG  72  -8.448  -4.281  -4.281
  523    HA   PRO  73           HA       PRO  73 -14.018   4.873   4.873
  524   1HB   PRO  73          2HB       PRO  73 -12.557   5.992   5.992
  525   2HB   PRO  73          1HB       PRO  73 -12.286   6.374   6.374
  526   1HG   PRO  73          2HG       PRO  73 -10.761   4.566   4.566
  527   2HG   PRO  73          1HG       PRO  73 -10.179   5.639   5.639
  528   1HD   PRO  73          2HD       PRO  73 -10.461   2.929   2.929
  529   2HD   PRO  73          1HD       PRO  73 -10.519   4.082   4.082
  530    H    GLY  74           HN       GLY  74 -14.579   5.579   5.579
  531   1HA   GLY  74          2HA       GLY  74 -14.841   4.621   4.621
  532   2HA   GLY  74          1HA       GLY  74 -14.846   3.021   3.021
  533   1H    MET   1          3H        MET  75 -12.811  -4.320  -4.320
  534   2H    MET   1          2H        MET  75 -12.620  -5.738  -5.738
  535   3H    MET   1          1H        MET  75 -13.947  -4.715  -4.715
  536    HA   MET   1           HA       MET  75 -12.532  -2.994  -2.994
  537   1HB   MET   1          2HB       MET  75 -12.743  -5.740  -5.740
  538   2HB   MET   1          1HB       MET  75 -11.339  -4.912  -4.912
  539   1HG   MET   1          2HG       MET  75 -12.723  -3.089  -3.089
  540   2HG   MET   1          1HG       MET  75 -14.140  -3.756  -3.756
  541   1HE   MET   1          1HE       MET  75 -12.304  -3.114  -3.114
  542   2HE   MET   1          3HE       MET  75 -13.522  -3.577  -3.577
  543   3HE   MET   1          2HE       MET  75 -12.033  -4.506  -4.506
  544    H    ARG   2           H        ARG  76 -11.118  -3.440  -3.440
  545    HA   ARG   2           HA       ARG  76  -8.323  -3.316  -3.316
  546   1HB   ARG   2          2HB       ARG  76  -9.501  -5.426  -5.426
  547   2HB   ARG   2          1HB       ARG  76  -7.802  -4.979  -4.979
  548   1HG   ARG   2          2HG       ARG  76  -9.100  -5.884  -5.884
  549   2HG   ARG   2          1HG       ARG  76  -8.110  -6.903  -6.903
  550   1HD   ARG   2          2HD       ARG  76  -6.360  -4.918  -4.918
  551   2HD   ARG   2          1HD       ARG  76  -7.272  -4.635  -4.635
  552    HE   ARG   2           HE       ARG  76  -6.426  -7.421  -7.421
  553   1HH1  ARG   2          2HH1      ARG  76  -7.191  -5.297  -5.297
  554   2HH1  ARG   2          1HH1      ARG  76  -5.842  -5.667  -5.667
  555   1HH2  ARG   2          1HH2      ARG  76  -4.213  -7.571  -7.571
  556   2HH2  ARG   2          2HH2      ARG  76  -4.155  -6.954  -6.954
  557    H    TYR   3           H        TYR  77  -6.925  -2.274  -2.274
  558    HA   TYR   3           HA       TYR  77  -8.244  -0.844  -0.844
  559   1HB   TYR   3          2HB       TYR  77  -5.403  -0.289  -0.289
  560   2HB   TYR   3          1HB       TYR  77  -6.742   0.846   0.846
  561    HD1  TYR   3           HD2      TYR  77  -4.846  -1.389  -1.389
  562    HD2  TYR   3           HD1      TYR  77  -7.959   1.560   1.560
  563    HE1  TYR   3           HE2      TYR  77  -4.821  -1.147  -1.147
  564    HE2  TYR   3           HE1      TYR  77  -7.931   1.805   1.805
  565    HH   TYR   3           HH       TYR  77  -5.611   1.025   1.025
  566    H    TYR   4           H        TYR  78  -8.169  -3.360  -3.360
  567    HA   TYR   4           HA       TYR  78  -5.744  -4.638  -4.638
  568   1HB   TYR   4          2HB       TYR  78  -8.563  -5.066  -5.066
  569   2HB   TYR   4          1HB       TYR  78  -7.930  -5.521  -5.521
  570    HD1  TYR   4           HD1      TYR  78  -6.434  -5.737  -5.737
  571    HD2  TYR   4           HD2      TYR  78  -7.760  -7.840  -7.840
  572    HE1  TYR   4           HE1      TYR  78  -5.591  -7.865  -7.865
  573    HE2  TYR   4           HE2      TYR  78  -6.914  -9.965  -9.965
  574    HH   TYR   4           HH       TYR  78  -6.464 -10.693 -10.693
  575    H    GLU   5           H        GLU  79  -5.802  -5.556  -5.556
  576    HA   GLU   5           HA       GLU  79  -5.055  -3.312  -3.312
  577   1HB   GLU   5          2HB       GLU  79  -3.660  -5.311  -5.311
  578   2HB   GLU   5          1HB       GLU  79  -4.998  -6.329  -6.329
  579   1HG   GLU   5          2HG       GLU  79  -4.523  -5.928  -5.928
  580   2HG   GLU   5          1HG       GLU  79  -4.539  -4.185  -4.185
  581    H    SER   6           H        SER  80  -7.935  -3.559  -3.559
  582    HA   SER   6           HA       SER  80  -8.995  -3.225  -3.225
  583   1HB   SER   6          2HB       SER  80  -9.583  -5.333  -5.333
  584   2HB   SER   6          1HB       SER  80  -8.381  -5.850  -5.850
  585    HG   SER   6           HG       SER  80 -10.193  -6.871  -6.871
  586    H    SER   7           H        SER  81  -9.271  -2.102  -2.102
  587    HA   SER   7           HA       SER  81 -12.055  -1.535  -1.535
  588   1HB   SER   7          2HB       SER  81 -12.390  -3.031  -3.031
  589   2HB   SER   7          1HB       SER  81 -12.640  -3.700  -3.700
  590    HG   SER   7           HG       SER  81 -11.263  -5.076  -5.076
  591    H    LEU   8           H        LEU  82 -12.512   0.041   0.041
  592    HA   LEU   8           HA       LEU  82 -10.474   0.505   0.505
  593   1HB   LEU   8          2HB       LEU  82 -10.345   1.832   1.832
  594   2HB   LEU   8          1HB       LEU  82 -11.562   2.831   2.831
  595    HG   LEU   8           HG       LEU  82  -9.226   3.637   3.637
  596   1HD1  LEU   8          2HD1      LEU  82 -11.165   3.929   3.929
  597   2HD1  LEU   8          1HD1      LEU  82 -10.478   2.586   2.586
  598   3HD1  LEU   8          3HD1      LEU  82  -9.551   4.071   4.071
  599   1HD2  LEU   8          1HD2      LEU  82  -8.694   0.938   0.938
  600   2HD2  LEU   8          3HD2      LEU  82  -7.590   2.248   2.248
  601   3HD2  LEU   8          2HD2      LEU  82  -8.640   1.537   1.537
  602    H    LYS   9           H        LYS  83 -13.183  -0.568  -0.568
  603    HA   LYS   9           HA       LYS  83 -14.438   1.642   1.642
  604   1HB   LYS   9          2HB       LYS  83 -15.877  -0.476  -0.476
  605   2HB   LYS   9          1HB       LYS  83 -16.594   0.940   0.940
  606   1HG   LYS   9          2HG       LYS  83 -15.594   2.428   2.428
  607   2HG   LYS   9          1HG       LYS  83 -14.427   1.221   1.221
  608   1HD   LYS   9          2HD       LYS  83 -16.476  -0.134  -0.134
  609   2HD   LYS   9          1HD       LYS  83 -17.381   1.367   1.367
  610   1HE   LYS   9          2HE       LYS  83 -15.782   2.511   2.511
  611   2HE   LYS   9          1HE       LYS  83 -14.940   0.967   0.967
  612   1HZ   LYS   9          2HZ       LYS  83 -17.865   1.217   1.217
  613   2HZ   LYS   9          1HZ       LYS  83 -16.785   1.536   1.536
  614   3HZ   LYS   9          3HZ       LYS  83 -16.830  -0.005  -0.005
  615    H    SER  10           H        SER  84 -12.697  -0.271  -0.271
  616    HA   SER  10           HA       SER  84 -12.585  -2.101  -2.101
  617   1HB   SER  10          2HB       SER  84 -14.193   0.141   0.141
  618   2HB   SER  10          1HB       SER  84 -14.866  -1.316  -1.316
  619    HG   SER  10           HG       SER  84 -12.473  -0.031  -0.031
  620    H    TYR  11           H        TYR  85 -13.846  -3.132  -3.132
  621    HA   TYR  11           HA       TYR  85 -16.506  -4.139  -4.139
  622   1HB   TYR  11          2HB       TYR  85 -16.003  -5.522  -5.522
  623   2HB   TYR  11          1HB       TYR  85 -15.436  -3.871  -3.871
  624    HD1  TYR  11           HD2      TYR  85 -14.417  -7.353  -7.353
  625    HD2  TYR  11           HD1      TYR  85 -13.063  -3.342  -3.342
  626    HE1  TYR  11           HE2      TYR  85 -12.117  -8.199  -8.199
  627    HE2  TYR  11           HE1      TYR  85 -10.763  -4.188  -4.188
  628    HH   TYR  11           HH       TYR  85 -10.052  -7.676  -7.676
  629    HA   PRO  12           HA       PRO  86 -15.214  -7.290  -7.290
  630   1HB   PRO  12          2HB       PRO  86 -17.684  -8.420  -8.420
  631   2HB   PRO  12          1HB       PRO  86 -17.203  -6.900  -6.900
  632   1HG   PRO  12          2HG       PRO  86 -18.878  -7.336  -7.336
  633   2HG   PRO  12          1HG       PRO  86 -19.051  -6.140  -6.140
  634   1HD   PRO  12          2HD       PRO  86 -17.994  -5.577  -5.577
  635   2HD   PRO  12          1HD       PRO  86 -17.585  -4.683  -4.683
  636    H    ASP  13           HN       ASP  87 -17.707  -8.308  -8.308
  637    HA   ASP  13           HA       ASP  87 -16.500 -10.966 -10.966
  638   1HB   ASP  13          2HB       ASP  87 -18.754  -9.486  -9.486
  639   2HB   ASP  13          1HB       ASP  87 -18.373 -11.185 -11.185

  Start of MODEL    2
    1   1H    ILE   1          2H        ILE   1   8.558  13.673  13.673
    2   2H    ILE   1          1H        ILE   1   9.084  14.536  14.536
    3   3H    ILE   1          3H        ILE   1   8.624  15.370  15.370
    4    HA   ILE   1           HA       ILE   1   6.719  15.631  15.631
    5    HB   ILE   1           HB       ILE   1   6.043  13.665  13.665
    6   1HG1  ILE   1          2HG1      ILE   1   8.905  12.832  12.832
    7   2HG1  ILE   1          1HG1      ILE   1   7.519  12.042  12.042
    8   1HG2  ILE   1          2HG2      ILE   1   8.264  15.580  15.580
    9   2HG2  ILE   1          1HG2      ILE   1   8.386  14.216  14.216
   10   3HG2  ILE   1          3HG2      ILE   1   6.951  15.241  15.241
   11   1HD1  ILE   1          1HD1      ILE   1   6.720  12.017  12.017
   12   2HD1  ILE   1          3HD1      ILE   1   8.468  11.928  11.928
   13   3HD1  ILE   1          2HD1      ILE   1   7.636  10.703  10.703
   14    H    VAL   2           H        VAL   2   4.537  14.097  14.097
   15    HA   VAL   2           HA       VAL   2   4.257  13.002  13.002
   16    HB   VAL   2           HB       VAL   2   2.090  13.737  13.737
   17   1HG1  VAL   2          1HG1      VAL   2   1.899  12.515  12.515
   18   2HG1  VAL   2          3HG1      VAL   2   1.878  14.198  14.198
   19   3HG1  VAL   2          2HG1      VAL   2   0.667  13.619  13.619
   20   1HG2  VAL   2          2HG2      VAL   2   3.838  15.488  15.488
   21   2HG2  VAL   2          1HG2      VAL   2   3.249  15.766  15.766
   22   3HG2  VAL   2          3HG2      VAL   2   2.156  15.945  15.945
   23    H    CYS   3           H        CYS   3   3.020  11.021  11.021
   24    HA   CYS   3           HA       CYS   3   2.693   9.370   9.370
   25   1HB   CYS   3          2HB       CYS   3   3.919   8.326   8.326
   26   2HB   CYS   3          1HB       CYS   3   3.990   7.651   7.651
   27    H    HIS   4           H        HIS   4   1.178   7.585   7.585
   28    HA   HIS   4           HA       HIS   4  -0.858   8.140   8.140
   29   1HB   HIS   4          2HB       HIS   4  -0.855   6.083   6.083
   30   2HB   HIS   4          1HB       HIS   4  -2.238   6.703   6.703
   31    HD1  HIS   4           HD1      HIS   4  -2.204   9.590   9.590
   32    HD2  HIS   4           HD2      HIS   4  -0.833   7.250   7.250
   33    HE1  HIS   4           HE1      HIS   4  -2.332  11.038  11.038
   34    H    THR   5           H        THR   5  -1.447   6.565   6.565
   35    HA   THR   5           HA       THR   5   0.467   4.264   4.264
   36    HB   THR   5           HB       THR   5   0.889   4.710   4.710
   37    HG1  THR   5           HG1      THR   5  -1.179   4.262   4.262
   38   1HG2  THR   5          2HG2      THR   5   0.945   6.983   6.983
   39   2HG2  THR   5          1HG2      THR   5  -0.294   7.439   7.439
   40   3HG2  THR   5          3HG2      THR   5   1.309   6.956   6.956
   41    H    THR   6           H        THR   6  -0.656   2.605   2.605
   42    HA   THR   6           HA       THR   6  -3.491   2.225   2.225
   43    HB   THR   6           HB       THR   6  -2.577  -0.039  -0.039
   44    HG1  THR   6           HG1      THR   6  -0.581   1.166   1.166
   45   1HG2  THR   6          3HG2      THR   6  -4.604   1.473   1.473
   46   2HG2  THR   6          2HG2      THR   6  -3.540   2.448   2.448
   47   3HG2  THR   6          1HG2      THR   6  -3.855   0.762   0.762
   48    H    ALA   7           H        ALA   7  -0.287   1.451   1.451
   49    HA   ALA   7           HA       ALA   7  -1.043  -0.977  -0.977
   50   1HB   ALA   7          2HB       ALA   7   1.385   0.412   0.412
   51   2HB   ALA   7          1HB       ALA   7   1.573  -0.513  -0.513
   52   3HB   ALA   7          3HB       ALA   7   1.014  -1.319  -1.319
   53    H    THR   8           H        THR   8  -0.292   2.396   2.396
   54    HA   THR   8           HA       THR   8  -0.239   1.764   1.764
   55    HB   THR   8           HB       THR   8   0.185   4.425   4.425
   56    HG1  THR   8           HG1      THR   8   1.611   4.259   4.259
   57   1HG2  THR   8          1HG2      THR   8   2.047   2.105   2.105
   58   2HG2  THR   8          3HG2      THR   8   2.659   3.758   3.758
   59   3HG2  THR   8          2HG2      THR   8   1.848   3.080   3.080
   60    H    SER   9           H        SER   9  -1.433   4.808   4.808
   61    HA   SER   9           HA       SER   9  -3.842   4.676   4.676
   62   1HB   SER   9          2HB       SER   9  -3.510   6.497   6.497
   63   2HB   SER   9          1HB       SER   9  -4.062   6.877   6.877
   64    HG   SER   9           HG       SER   9  -1.505   6.756   6.756
   65    HA   PRO  10           HA       PRO  10  -6.673   3.088   3.088
   66   1HB   PRO  10          2HB       PRO  10  -8.322   5.047   5.047
   67   2HB   PRO  10          1HB       PRO  10  -8.458   4.388   4.388
   68   1HG   PRO  10          2HG       PRO  10  -7.299   6.951   6.951
   69   2HG   PRO  10          1HG       PRO  10  -8.153   6.559   6.559
   70   1HD   PRO  10          2HD       PRO  10  -5.425   6.832   6.832
   71   2HD   PRO  10          1HD       PRO  10  -6.242   5.950   5.950
   72    H    ILE  11           H        ILE  11  -6.159   6.244   6.244
   73    HA   ILE  11           HA       ILE  11  -4.347   5.465   5.465
   74    HB   ILE  11           HB       ILE  11  -7.041   4.572   4.572
   75   1HG1  ILE  11          2HG1      ILE  11  -4.357   4.330   4.330
   76   2HG1  ILE  11          1HG1      ILE  11  -5.412   3.066   3.066
   77   1HG2  ILE  11          2HG2      ILE  11  -6.083   6.495   6.495
   78   2HG2  ILE  11          1HG2      ILE  11  -7.413   5.358   5.358
   79   3HG2  ILE  11          3HG2      ILE  11  -7.545   6.658   6.658
   80   1HD1  ILE  11          3HD1      ILE  11  -6.915   3.842   3.842
   81   2HD1  ILE  11          2HD1      ILE  11  -5.319   4.270   4.270
   82   3HD1  ILE  11          1HD1      ILE  11  -5.663   2.607   2.607
   83    H    SER  12           H        SER  12  -3.449   7.359   7.359
   84    HA   SER  12           HA       SER  12  -4.839   9.669   9.669
   85   1HB   SER  12          2HB       SER  12  -4.842  11.027  11.027
   86   2HB   SER  12          1HB       SER  12  -5.504   9.476   9.476
   87    HG   SER  12           HG       SER  12  -3.839   9.221   9.221
   88    H    ALA  13           H        ALA  13  -3.272  11.269  11.269
   89    HA   ALA  13           HA       ALA  13  -0.509  10.228  10.228
   90   1HB   ALA  13          2HB       ALA  13  -2.188  11.655  11.655
   91   2HB   ALA  13          1HB       ALA  13  -0.812  12.696  12.696
   92   3HB   ALA  13          3HB       ALA  13  -0.540  11.086  11.086
   93    H    VAL  14           H        VAL  14   0.654  10.857  10.857
   94    HA   VAL  14           HA       VAL  14   0.546  13.765  13.765
   95    HB   VAL  14           HB       VAL  14   0.479  13.285  13.285
   96   1HG1  VAL  14          3HG1      VAL  14  -1.474  12.246  12.246
   97   2HG1  VAL  14          2HG1      VAL  14  -0.807  10.717  10.717
   98   3HG1  VAL  14          1HG1      VAL  14  -1.365  11.925  11.925
   99   1HG2  VAL  14          1HG2      VAL  14   2.490  11.845  11.845
  100   2HG2  VAL  14          3HG2      VAL  14   1.211  11.152  11.152
  101   3HG2  VAL  14          2HG2      VAL  14   1.519  10.499  10.499
  102    H    THR  15           H        THR  15   2.502  14.693  14.693
  103    HA   THR  15           HA       THR  15   4.831  13.681  13.681
  104    HB   THR  15           HB       THR  15   4.871  15.500  15.500
  105    HG1  THR  15           HG1      THR  15   3.306  16.530  16.530
  106   1HG2  THR  15          2HG2      THR  15   6.446  15.055  15.055
  107   2HG2  THR  15          1HG2      THR  15   6.296  16.724  16.724
  108   3HG2  THR  15          3HG2      THR  15   6.998  15.502  15.502
  109    H    CYS  16           H        CYS  16   6.610  12.470  12.470
  110    HA   CYS  16           HA       CYS  16   6.058  11.121  11.121
  111   1HB   CYS  16          2HB       CYS  16   7.232  10.437  10.437
  112   2HB   CYS  16          1HB       CYS  16   8.163   9.826   9.826
  113    HA   PRO  17           HA       PRO  17   9.530  12.771  12.771
  114   1HB   PRO  17          2HB       PRO  17  10.888  10.570  10.570
  115   2HB   PRO  17          1HB       PRO  17   9.339  11.110  11.110
  116   1HG   PRO  17          2HG       PRO  17   9.893   8.942   8.942
  117   2HG   PRO  17          1HG       PRO  17   8.773   8.958   8.958
  118   1HD   PRO  17          2HD       PRO  17   7.949   9.320   9.320
  119   2HD   PRO  17          1HD       PRO  17   7.150  10.100  10.100
  120    HA   PRO  18           HA       PRO  18  13.186  12.902  12.902
  121   1HB   PRO  18          2HB       PRO  18  15.244  12.759  12.759
  122   2HB   PRO  18          1HB       PRO  18  14.223  14.198  14.198
  123   1HG   PRO  18          2HG       PRO  18  14.058  12.039  12.039
  124   2HG   PRO  18          1HG       PRO  18  13.878  13.792  13.792
  125   1HD   PRO  18          2HD       PRO  18  11.755  12.132  12.132
  126   2HD   PRO  18          1HD       PRO  18  11.694  13.785  13.785
  127    H    GLY  19           H        GLY  19  14.233  11.398  11.398
  128   1HA   GLY  19          2HA       GLY  19  15.887   9.398   9.398
  129   2HA   GLY  19          1HA       GLY  19  14.527   8.648   8.648
  130    H    GLU  20           H        GLU  20  12.380   8.842   8.842
  131    HA   GLU  20           HA       GLU  20  12.770   7.425   7.425
  132   1HB   GLU  20          2HB       GLU  20  10.456   8.778   8.778
  133   2HB   GLU  20          1HB       GLU  20  10.248   7.872   7.872
  134   1HG   GLU  20          2HG       GLU  20   9.853   6.210   6.210
  135   2HG   GLU  20          1HG       GLU  20  11.582   6.004   6.004
  136    H    ASN  21           H        ASN  21  13.688   8.524   8.524
  137    HA   ASN  21           HA       ASN  21  13.273  11.376  11.376
  138   1HB   ASN  21          2HB       ASN  21  14.355   9.319   9.319
  139   2HB   ASN  21          1HB       ASN  21  14.789  11.021  11.021
  140   1HD2  ASN  21          2HD2      ASN  21  16.260   9.883   9.883
  141   2HD2  ASN  21          1HD2      ASN  21  14.745  10.585  10.585
  142    H    LEU  22           H        LEU  22  11.513   8.539   8.539
  143    HA   LEU  22           HA       LEU  22   9.652  10.097  10.097
  144   1HB   LEU  22          2HB       LEU  22   9.827   8.507   8.507
  145   2HB   LEU  22          1HB       LEU  22  11.437   9.123   9.123
  146    HG   LEU  22           HG       LEU  22  11.010   6.864   6.864
  147   1HD1  LEU  22          2HD1      LEU  22   9.351   6.585   6.585
  148   2HD1  LEU  22          1HD1      LEU  22  10.827   5.813   5.813
  149   3HD1  LEU  22          3HD1      LEU  22  10.043   5.236   5.236
  150   1HD2  LEU  22          2HD2      LEU  22  12.785   7.730   7.730
  151   2HD2  LEU  22          1HD2      LEU  22  13.205   7.151   7.151
  152   3HD2  LEU  22          3HD2      LEU  22  12.758   6.001   6.001
  153    H    CYS  23           H        CYS  23   7.858   8.394   8.394
  154    HA   CYS  23           HA       CYS  23   7.010   6.958   6.958
  155   1HB   CYS  23          2HB       CYS  23   5.486   7.589   7.589
  156   2HB   CYS  23          1HB       CYS  23   4.813   7.216   7.216
  157    H    TYR  24           H        TYR  24   5.540   4.914   4.914
  158    HA   TYR  24           HA       TYR  24   6.716   3.562   3.562
  159   1HB   TYR  24          2HB       TYR  24   7.762   1.808   1.808
  160   2HB   TYR  24          1HB       TYR  24   8.303   3.315   3.315
  161    HD1  TYR  24           HD2      TYR  24   6.115   0.394   0.394
  162    HD2  TYR  24           HD1      TYR  24   7.514   4.008   4.008
  163    HE1  TYR  24           HE2      TYR  24   5.153  -0.330  -0.330
  164    HE2  TYR  24           HE1      TYR  24   6.550   3.291   3.291
  165    HH   TYR  24           HH       TYR  24   4.333   1.307   1.307
  166    H    ARG  25           H        ARG  25   5.924   1.159   1.159
  167    HA   ARG  25           HA       ARG  25   3.121   1.067   1.067
  168   1HB   ARG  25          2HB       ARG  25   3.778  -0.070  -0.070
  169   2HB   ARG  25          1HB       ARG  25   2.257   0.601   0.601
  170   1HG   ARG  25          2HG       ARG  25   3.229   2.876   2.876
  171   2HG   ARG  25          1HG       ARG  25   4.753   2.200   2.200
  172   1HD   ARG  25          2HD       ARG  25   3.698   2.844   2.844
  173   2HD   ARG  25          1HD       ARG  25   3.253   1.129   1.129
  174    HE   ARG  25           HE       ARG  25   1.405   2.945   2.945
  175   1HH1  ARG  25          2HH1      ARG  25  -0.130   0.849   0.849
  176   2HH1  ARG  25          1HH1      ARG  25  -0.689   1.067   1.067
  177   1HH2  ARG  25          1HH2      ARG  25   1.717   3.436   3.436
  178   2HH2  ARG  25          2HH2      ARG  25   0.357   2.532   2.532
  179    H    LYS  26           H        LYS  26   3.248  -0.759  -0.759
  180    HA   LYS  26           HA       LYS  26   5.017  -2.990  -2.990
  181   1HB   LYS  26          2HB       LYS  26   4.150  -1.829  -1.829
  182   2HB   LYS  26          1HB       LYS  26   3.965  -3.573  -3.573
  183   1HG   LYS  26          2HG       LYS  26   6.219  -3.961  -3.961
  184   2HG   LYS  26          1HG       LYS  26   6.501  -2.411  -2.411
  185   1HD   LYS  26          2HD       LYS  26   5.572  -1.750  -1.750
  186   2HD   LYS  26          1HD       LYS  26   6.700  -3.082  -3.082
  187   1HE   LYS  26          2HE       LYS  26   7.569  -0.962  -0.962
  188   2HE   LYS  26          1HE       LYS  26   7.548  -0.534  -0.534
  189   1HZ   LYS  26          1HZ       LYS  26   8.631  -3.136  -3.136
  190   2HZ   LYS  26          3HZ       LYS  26   9.604  -1.753  -1.753
  191   3HZ   LYS  26          2HZ       LYS  26   8.993  -2.223  -2.223
  192    H    MET  27           H        MET  27   4.211  -5.154  -5.154
  193    HA   MET  27           HA       MET  27   1.331  -5.563  -5.563
  194   1HB   MET  27          2HB       MET  27   2.632  -5.105  -5.105
  195   2HB   MET  27          1HB       MET  27   2.153  -6.802  -6.802
  196   1HG   MET  27          2HG       MET  27  -0.111  -5.782  -5.782
  197   2HG   MET  27          1HG       MET  27   0.444  -4.347  -4.347
  198   1HE   MET  27          3HE       MET  27  -0.410  -3.797  -3.797
  199   2HE   MET  27          2HE       MET  27  -0.777  -4.663  -4.663
  200   3HE   MET  27          1HE       MET  27  -1.913  -4.720  -4.720
  201    H    TRP  28           H        TRP  28   0.841  -7.860  -7.860
  202    HA   TRP  28           HA       TRP  28   2.919  -9.847  -9.847
  203   1HB   TRP  28          2HB       TRP  28   2.882  -9.880  -9.880
  204   2HB   TRP  28          1HB       TRP  28   4.002  -8.864  -8.864
  205    HD1  TRP  28           HD1      TRP  28   0.256  -8.329  -8.329
  206    HE1  TRP  28           HE1      TRP  28   0.095  -6.063  -6.063
  207    HE3  TRP  28           HE3      TRP  28   5.133  -6.877  -6.877
  208    HZ2  TRP  28           HZ2      TRP  28   1.823  -3.924  -3.924
  209    HZ3  TRP  28           HZ3      TRP  28   5.856  -4.726  -4.726
  210    HH2  TRP  28           HH2      TRP  28   4.202  -3.239  -3.239
  211    H    CYS  29           H        CYS  29   1.047  -9.918  -9.918
  212    HA   CYS  29           HA       CYS  29  -1.383 -11.106 -11.106
  213   1HB   CYS  29          2HB       CYS  29   0.993 -12.692 -12.692
  214   2HB   CYS  29          1HB       CYS  29  -0.156 -13.202 -13.202
  215    H    ASP  30           H        ASP  30  -2.875 -11.455 -11.455
  216    HA   ASP  30           HA       ASP  30  -1.991 -10.090 -10.090
  217   1HB   ASP  30          2HB       ASP  30  -4.398  -9.910  -9.910
  218   2HB   ASP  30          1HB       ASP  30  -4.029  -9.411  -9.411
  219    H    ALA  31           H        ALA  31  -3.758 -11.229 -11.229
  220    HA   ALA  31           HA       ALA  31  -2.462 -13.299 -13.299
  221   1HB   ALA  31          2HB       ALA  31  -5.400 -12.690 -12.690
  222   2HB   ALA  31          1HB       ALA  31  -4.858 -13.986 -13.986
  223   3HB   ALA  31          3HB       ALA  31  -4.362 -12.322 -12.322
  224    H    PHE  32           H        PHE  32  -4.871 -13.697 -13.697
  225    HA   PHE  32           HA       PHE  32  -3.681 -16.372 -16.372
  226   1HB   PHE  32          2HB       PHE  32  -6.594 -15.664 -15.664
  227   2HB   PHE  32          1HB       PHE  32  -6.065 -17.193 -17.193
  228    HD1  PHE  32           HD2      PHE  32  -3.678 -17.881 -17.881
  229    HD2  PHE  32           HD1      PHE  32  -7.330 -16.098 -16.098
  230    HE1  PHE  32           HE2      PHE  32  -3.254 -18.782 -18.782
  231    HE2  PHE  32           HE1      PHE  32  -6.905 -16.997 -16.997
  232    HZ   PHE  32           HZ       PHE  32  -4.867 -18.340 -18.340
  233    H    CYS  33           H        CYS  33  -2.928 -15.997 -15.997
  234    HA   CYS  33           HA       CYS  33  -3.634 -14.090 -14.090
  235   1HB   CYS  33          2HB       CYS  33  -2.972 -17.025 -17.025
  236   2HB   CYS  33          1HB       CYS  33  -2.967 -15.850 -15.850
  237    H    SER  34           H        SER  34  -5.822 -13.542 -13.542
  238    HA   SER  34           HA       SER  34  -7.887 -15.603 -15.603
  239   1HB   SER  34          2HB       SER  34  -9.361 -13.662 -13.662
  240   2HB   SER  34          1HB       SER  34  -8.138 -13.459 -13.459
  241    HG   SER  34           HG       SER  34  -8.686 -11.760 -11.760
  242    H    SER  35           H        SER  35  -9.415 -15.388 -15.388
  243    HA   SER  35           HA       SER  35  -7.959 -15.562 -15.562
  244   1HB   SER  35          2HB       SER  35 -10.925 -15.292 -15.292
  245   2HB   SER  35          1HB       SER  35 -10.227 -15.884 -15.884
  246    HG   SER  35           HG       SER  35  -9.701 -17.031 -17.031
  247    H    ARG  36           H        ARG  36  -8.972 -12.901 -12.901
  248    HA   ARG  36           HA       ARG  36  -9.685 -11.140 -11.140
  249   1HB   ARG  36          2HB       ARG  36  -9.893 -11.236 -11.236
  250   2HB   ARG  36          1HB       ARG  36  -9.005  -9.771  -9.771
  251   1HG   ARG  36          2HG       ARG  36 -11.460  -9.388  -9.388
  252   2HG   ARG  36          1HG       ARG  36 -10.777  -9.102  -9.102
  253   1HD   ARG  36          2HD       ARG  36 -12.029 -10.761 -10.761
  254   2HD   ARG  36          1HD       ARG  36 -11.579 -11.897 -11.897
  255    HE   ARG  36           HE       ARG  36 -13.367  -9.883  -9.883
  256   1HH1  ARG  36          2HH1      ARG  36 -13.061 -12.950 -12.950
  257   2HH1  ARG  36          1HH1      ARG  36 -14.745 -13.338 -13.338
  258   1HH2  ARG  36          1HH2      ARG  36 -15.620 -10.272 -10.272
  259   2HH2  ARG  36          2HH2      ARG  36 -16.193 -11.822 -11.822
  260    H    GLY  37           H        GLY  37  -6.862 -12.518 -12.518
  261   1HA   GLY  37          2HA       GLY  37  -4.729 -11.880 -11.880
  262   2HA   GLY  37          1HA       GLY  37  -5.315 -10.221 -10.221
  263    H    LYS  38           H        LYS  38  -3.252  -9.616  -9.616
  264    HA   LYS  38           HA       LYS  38  -3.014 -10.344 -10.344
  265   1HB   LYS  38          2HB       LYS  38  -1.340  -8.350  -8.350
  266   2HB   LYS  38          1HB       LYS  38  -0.861  -9.424  -9.424
  267   1HG   LYS  38          2HG       LYS  38  -1.405 -10.130 -10.130
  268   2HG   LYS  38          1HG       LYS  38   0.079 -10.383 -10.383
  269   1HD   LYS  38          2HD       LYS  38  -1.692 -11.772 -11.772
  270   2HD   LYS  38          1HD       LYS  38  -2.396 -12.005 -12.005
  271   1HE   LYS  38          2HE       LYS  38   0.138 -12.512 -12.512
  272   2HE   LYS  38          1HE       LYS  38   0.246 -12.940 -12.940
  273   1HZ   LYS  38          2HZ       LYS  38  -1.997 -13.859 -13.859
  274   2HZ   LYS  38          1HZ       LYS  38  -0.554 -14.748 -14.748
  275   3HZ   LYS  38          3HZ       LYS  38  -1.490 -14.472 -14.472
  276    H    VAL  39           H        VAL  39  -1.796  -7.629  -7.629
  277    HA   VAL  39           HA       VAL  39  -4.342  -6.066  -6.066
  278    HB   VAL  39           HB       VAL  39  -1.894  -5.558  -5.558
  279   1HG1  VAL  39          1HG1      VAL  39  -4.428  -4.511  -4.511
  280   2HG1  VAL  39          3HG1      VAL  39  -4.582  -5.721  -5.721
  281   3HG1  VAL  39          2HG1      VAL  39  -3.364  -4.452  -4.452
  282   1HG2  VAL  39          1HG2      VAL  39  -3.432  -8.071  -8.071
  283   2HG2  VAL  39          3HG2      VAL  39  -1.857  -7.726  -7.726
  284   3HG2  VAL  39          2HG2      VAL  39  -3.332  -7.314  -7.314
  285    H    VAL  40           H        VAL  40  -2.789  -3.730  -3.730
  286    HA   VAL  40           HA       VAL  40  -0.938  -3.087  -3.087
  287    HB   VAL  40           HB       VAL  40  -3.687  -1.809  -1.809
  288   1HG1  VAL  40          2HG1      VAL  40  -1.133  -0.849  -0.849
  289   2HG1  VAL  40          1HG1      VAL  40  -2.331  -0.925  -0.925
  290   3HG1  VAL  40          3HG1      VAL  40  -2.657   0.020   0.020
  291   1HG2  VAL  40          1HG2      VAL  40  -2.320  -3.609  -3.609
  292   2HG2  VAL  40          3HG2      VAL  40  -3.892  -3.832  -3.832
  293   3HG2  VAL  40          2HG2      VAL  40  -3.682  -2.585  -2.585
  294    H    GLU  41           H        GLU  41   0.385  -2.686  -2.686
  295    HA   GLU  41           HA       GLU  41  -0.517  -0.574  -0.574
  296   1HB   GLU  41          2HB       GLU  41   1.727  -2.579  -2.579
  297   2HB   GLU  41          1HB       GLU  41   0.954  -1.652  -1.652
  298   1HG   GLU  41          2HG       GLU  41  -0.343  -3.803  -3.803
  299   2HG   GLU  41          1HG       GLU  41   0.020  -3.892  -3.892
  300    H    LEU  42           H        LEU  42   0.107   1.057   1.057
  301    HA   LEU  42           HA       LEU  42   2.910   1.415   1.415
  302   1HB   LEU  42          2HB       LEU  42   0.795   3.562   3.562
  303   2HB   LEU  42          1HB       LEU  42   2.073   3.259   3.259
  304    HG   LEU  42           HG       LEU  42   0.382   0.945   0.945
  305   1HD1  LEU  42          2HD1      LEU  42  -0.974   3.634   3.634
  306   2HD1  LEU  42          1HD1      LEU  42  -1.649   2.221   2.221
  307   3HD1  LEU  42          3HD1      LEU  42  -1.456   2.221   2.221
  308   1HD2  LEU  42          3HD2      LEU  42   1.853   2.261   2.261
  309   2HD2  LEU  42          2HD2      LEU  42   0.551   1.163   1.163
  310   3HD2  LEU  42          1HD2      LEU  42   0.264   2.903   2.903
  311    H    GLY  43           H        GLY  43   3.730   3.853   3.853
  312   1HA   GLY  43          2HA       GLY  43   3.031   5.265   5.265
  313   2HA   GLY  43          1HA       GLY  43   3.988   3.933   3.933
  314    H    CYS  44           H        CYS  44   5.903   4.986   4.986
  315    HA   CYS  44           HA       CYS  44   7.238   6.628   6.628
  316   1HB   CYS  44          2HB       CYS  44   7.688   6.697   6.697
  317   2HB   CYS  44          1HB       CYS  44   8.125   7.911   7.911
  318    H    ALA  45           H        ALA  45   9.638   6.488   6.488
  319    HA   ALA  45           HA       ALA  45  10.995   4.425   4.425
  320   1HB   ALA  45          2HB       ALA  45   9.464   3.517   3.517
  321   2HB   ALA  45          1HB       ALA  45  11.018   3.758   3.758
  322   3HB   ALA  45          3HB       ALA  45  10.901   2.685   2.685
  323    H    ALA  46           H        ALA  46  13.269   4.515   4.515
  324    HA   ALA  46           HA       ALA  46  14.334   7.013   7.013
  325   1HB   ALA  46          1HB       ALA  46  15.354   4.354   4.354
  326   2HB   ALA  46          3HB       ALA  46  16.498   5.478   5.478
  327   3HB   ALA  46          2HB       ALA  46  15.599   5.949   5.949
  328    H    THR  47           H        THR  47  14.168   3.780   3.780
  329    HA   THR  47           HA       THR  47  14.455   4.927   4.927
  330    HB   THR  47           HB       THR  47  16.511   3.238   3.238
  331    HG1  THR  47           HG1      THR  47  17.692   3.191   3.191
  332   1HG2  THR  47          2HG2      THR  47  16.334   5.844   5.844
  333   2HG2  THR  47          1HG2      THR  47  17.075   5.822   5.822
  334   3HG2  THR  47          3HG2      THR  47  17.918   5.103   5.103
  335    H    CYS  48           H        CYS  48  13.793   3.405   3.405
  336    HA   CYS  48           HA       CYS  48  11.860   1.520   1.520
  337   1HB   CYS  48          2HB       CYS  48  14.102   1.303   1.303
  338   2HB   CYS  48          1HB       CYS  48  12.513   0.551   0.551
  339    HA   PRO  49           HA       PRO  49  14.492  -1.333  -1.333
  340   1HB   PRO  49          2HB       PRO  49  12.433  -2.411  -2.411
  341   2HB   PRO  49          1HB       PRO  49  13.224  -0.885  -0.885
  342   1HG   PRO  49          2HG       PRO  49  10.623  -1.345  -1.345
  343   2HG   PRO  49          1HG       PRO  49  11.088  -0.092  -0.092
  344   1HD   PRO  49          2HD       PRO  49  10.887   0.297   0.297
  345   2HD   PRO  49          1HD       PRO  49  11.873   1.293   1.293
  346    H    SER  50           H        SER  50  15.006  -3.341  -3.341
  347    HA   SER  50           HA       SER  50  12.854  -5.135  -5.135
  348   1HB   SER  50          2HB       SER  50  15.128  -4.327  -4.327
  349   2HB   SER  50          1HB       SER  50  13.647  -5.180  -5.180
  350    HG   SER  50           HG       SER  50  13.931  -2.485  -2.485
  351    H    LYS  51           H        LYS  51  13.415  -7.015  -7.015
  352    HA   LYS  51           HA       LYS  51  15.965  -8.299  -8.299
  353   1HB   LYS  51          2HB       LYS  51  16.138  -6.391  -6.391
  354   2HB   LYS  51          1HB       LYS  51  15.575  -7.717  -7.717
  355   1HG   LYS  51          2HG       LYS  51  17.660  -8.561  -8.561
  356   2HG   LYS  51          1HG       LYS  51  17.585  -8.767  -8.767
  357   1HD   LYS  51          2HD       LYS  51  18.931  -6.990  -6.990
  358   2HD   LYS  51          1HD       LYS  51  18.035  -5.984  -5.984
  359   1HE   LYS  51          2HE       LYS  51  19.254  -6.933  -6.933
  360   2HE   LYS  51          1HE       LYS  51  20.071  -8.089  -8.089
  361   1HZ   LYS  51          3HZ       LYS  51  20.166  -5.168  -5.168
  362   2HZ   LYS  51          2HZ       LYS  51  21.316  -5.955  -5.955
  363   3HZ   LYS  51          1HZ       LYS  51  21.158  -6.369  -6.369
  364    H    LYS  52           H        LYS  52  13.433  -9.239  -9.239
  365    HA   LYS  52           HA       LYS  52  13.348 -11.678 -11.678
  366   1HB   LYS  52          2HB       LYS  52  11.931  -9.320  -9.320
  367   2HB   LYS  52          1HB       LYS  52  10.773 -10.577 -10.577
  368   1HG   LYS  52          2HG       LYS  52  11.853 -12.168 -12.168
  369   2HG   LYS  52          1HG       LYS  52  13.159 -11.030 -11.030
  370   1HD   LYS  52          2HD       LYS  52  10.733  -9.666  -9.666
  371   2HD   LYS  52          1HD       LYS  52  10.601 -11.256 -11.256
  372   1HE   LYS  52          2HE       LYS  52  12.945  -9.351  -9.351
  373   2HE   LYS  52          1HE       LYS  52  11.664  -9.644  -9.644
  374   1HZ   LYS  52          2HZ       LYS  52  12.235 -12.098 -12.098
  375   2HZ   LYS  52          1HZ       LYS  52  13.692 -11.531 -11.531
  376   3HZ   LYS  52          3HZ       LYS  52  13.300 -11.171 -11.171
  377    HA   PRO  53           HA       PRO  53  11.522 -12.203 -12.203
  378   1HB   PRO  53          2HB       PRO  53  11.873 -14.905 -14.905
  379   2HB   PRO  53          1HB       PRO  53  13.158 -13.726 -13.726
  380   1HG   PRO  53          2HG       PRO  53  12.700 -15.386 -15.386
  381   2HG   PRO  53          1HG       PRO  53  14.212 -14.828 -14.828
  382   1HD   PRO  53          2HD       PRO  53  13.000 -13.718 -13.718
  383   2HD   PRO  53          1HD       PRO  53  14.224 -12.926 -12.926
  384    H    TYR  54           H        TYR  54   9.781 -11.980 -11.980
  385    HA   TYR  54           HA       TYR  54   7.606 -13.815 -13.815
  386   1HB   TYR  54          2HB       TYR  54   7.779 -13.193 -13.193
  387   2HB   TYR  54          1HB       TYR  54   7.274 -14.681 -14.681
  388    HD1  TYR  54           HD2      TYR  54   9.137 -16.058 -16.058
  389    HD2  TYR  54           HD1      TYR  54   9.882 -13.046 -13.046
  390    HE1  TYR  54           HE2      TYR  54  11.378 -17.022 -17.022
  391    HE2  TYR  54           HE1      TYR  54  12.118 -14.007 -14.007
  392    HH   TYR  54           HH       TYR  54  13.798 -15.527 -15.527
  393    H    GLU  55           H        GLU  55   8.641 -10.909 -10.909
  394    HA   GLU  55           HA       GLU  55   5.935  -9.789  -9.789
  395   1HB   GLU  55          2HB       GLU  55   8.660  -8.505  -8.505
  396   2HB   GLU  55          1HB       GLU  55   7.122  -7.902  -7.902
  397   1HG   GLU  55          2HG       GLU  55   7.049 -10.373 -10.373
  398   2HG   GLU  55          1HG       GLU  55   8.798 -10.165 -10.165
  399    H    GLU  56           H        GLU  56   6.175  -7.203  -7.203
  400    HA   GLU  56           HA       GLU  56   7.343  -6.986  -6.986
  401   1HB   GLU  56          2HB       GLU  56   4.435  -7.516  -7.516
  402   2HB   GLU  56          1HB       GLU  56   4.882  -6.526  -6.526
  403   1HG   GLU  56          2HG       GLU  56   6.625  -8.570  -8.570
  404   2HG   GLU  56          1HG       GLU  56   5.301  -9.428  -9.428
  405    H    VAL  57           H        VAL  57   7.926  -5.363  -5.363
  406    HA   VAL  57           HA       VAL  57   6.170  -3.107  -3.107
  407    HB   VAL  57           HB       VAL  57   8.215  -2.150  -2.150
  408   1HG1  VAL  57          1HG1      VAL  57   6.760  -4.254  -4.254
  409   2HG1  VAL  57          3HG1      VAL  57   8.352  -5.010  -5.010
  410   3HG1  VAL  57          2HG1      VAL  57   8.104  -3.574  -3.574
  411   1HG2  VAL  57          1HG2      VAL  57   9.439  -4.335  -4.335
  412   2HG2  VAL  57          3HG2      VAL  57  10.058  -2.725  -2.725
  413   3HG2  VAL  57          2HG2      VAL  57  10.154  -3.999  -3.999
  414    H    THR  58           H        THR  58   6.696  -0.867  -0.867
  415    HA   THR  58           HA       THR  58   8.242  -0.718  -0.718
  416    HB   THR  58           HB       THR  58   5.590   0.631   0.631
  417    HG1  THR  58           HG1      THR  58   4.789  -1.543  -1.543
  418   1HG2  THR  58          2HG2      THR  58   7.295   0.526   0.526
  419   2HG2  THR  58          1HG2      THR  58   6.743  -1.135  -1.135
  420   3HG2  THR  58          3HG2      THR  58   5.605   0.201   0.201
  421    H    CYS  59           H        CYS  59   7.510   1.931   1.931
  422    HA   CYS  59           HA       CYS  59   8.155   3.462   3.462
  423   1HB   CYS  59          2HB       CYS  59   9.650   3.186   3.186
  424   2HB   CYS  59          1HB       CYS  59   9.533   4.814   4.814
  425    H    CYS  60           H        CYS  60   8.119   5.892   5.892
  426    HA   CYS  60           HA       CYS  60   6.438   6.705   6.705
  427   1HB   CYS  60          2HB       CYS  60   4.443   6.143   6.143
  428   2HB   CYS  60          1HB       CYS  60   5.212   5.720   5.720
  429    H    SER  61           H        SER  61   7.099   8.792   8.792
  430    HA   SER  61           HA       SER  61   8.167  10.365  10.365
  431   1HB   SER  61          2HB       SER  61   9.502  11.388  11.388
  432   2HB   SER  61          1HB       SER  61  10.027   9.895   9.895
  433    HG   SER  61           HG       SER  61   9.509   8.837   8.837
  434    H    THR  62           H        THR  62   5.911  10.370  10.370
  435    HA   THR  62           HA       THR  62   5.749  13.249  13.249
  436    HB   THR  62           HB       THR  62   3.416  11.487  11.487
  437    HG1  THR  62           HG1      THR  62   4.706   9.982   9.982
  438   1HG2  THR  62          3HG2      THR  62   4.382  13.940  13.940
  439   2HG2  THR  62          2HG2      THR  62   4.764  12.844  12.844
  440   3HG2  THR  62          1HG2      THR  62   3.100  13.001  13.001
  441    H    ASP  63           H        ASP  63   3.528  14.357  14.357
  442    HA   ASP  63           HA       ASP  63   3.097  14.492  14.492
  443   1HB   ASP  63          2HB       ASP  63   1.583  15.330  15.330
  444   2HB   ASP  63          1HB       ASP  63   0.915  15.637  15.637
  445    H    LYS  64           H        LYS  64   2.129  12.971  12.971
  446    HA   LYS  64           HA       LYS  64   0.823  11.083  11.083
  447   1HB   LYS  64          2HB       LYS  64  -1.018  12.686  12.686
  448   2HB   LYS  64          1HB       LYS  64  -1.555  11.458  11.458
  449   1HG   LYS  64          2HG       LYS  64  -0.551  12.753  12.753
  450   2HG   LYS  64          1HG       LYS  64  -0.040  13.990  13.990
  451   1HD   LYS  64          2HD       LYS  64  -2.503  14.171  14.171
  452   2HD   LYS  64          1HD       LYS  64  -2.861  13.215  13.215
  453   1HE   LYS  64          2HE       LYS  64  -2.298  14.929  14.929
  454   2HE   LYS  64          1HE       LYS  64  -1.068  15.585  15.585
  455   1HZ   LYS  64          2HZ       LYS  64  -3.067  16.014  16.014
  456   2HZ   LYS  64          1HZ       LYS  64  -4.002  15.878  15.878
  457   3HZ   LYS  64          3HZ       LYS  64  -2.808  17.077  17.077
  458    H    CYS  65           H        CYS  65   2.540  10.238  10.238
  459    HA   CYS  65           HA       CYS  65   1.004   9.040   9.040
  460   1HB   CYS  65          2HB       CYS  65   3.373   8.156   8.156
  461   2HB   CYS  65          1HB       CYS  65   3.060   9.877   9.877
  462    H    ASN  66           H        ASN  66   0.726   8.233   8.233
  463    HA   ASN  66           HA       ASN  66   1.579   5.382   5.382
  464   1HB   ASN  66          2HB       ASN  66   1.471   7.433   7.433
  465   2HB   ASN  66          1HB       ASN  66   0.493   6.059   6.059
  466   1HD2  ASN  66          2HD2      ASN  66   4.283   4.931   4.931
  467   2HD2  ASN  66          1HD2      ASN  66   3.342   5.786   5.786
  468    HA   PRO  67           HA       PRO  67  -3.202   5.643   5.643
  469   1HB   PRO  67          2HB       PRO  67  -4.158   6.222   6.222
  470   2HB   PRO  67          1HB       PRO  67  -3.825   7.469   7.469
  471   1HG   PRO  67          2HG       PRO  67  -2.275   6.707   6.707
  472   2HG   PRO  67          1HG       PRO  67  -2.439   8.280   8.280
  473   1HD   PRO  67          2HD       PRO  67  -0.259   6.562   6.562
  474   2HD   PRO  67          1HD       PRO  67  -0.636   7.925   7.925
  475    H    HIS  68           H        HIS  68  -3.671   3.485   3.485
  476    HA   HIS  68           HA       HIS  68  -2.885   1.778   1.778
  477   1HB   HIS  68          2HB       HIS  68  -3.341  -0.036  -0.036
  478   2HB   HIS  68          1HB       HIS  68  -2.236   1.150   1.150
  479    HD1  HIS  68           HD1      HIS  68  -5.624  -0.318  -0.318
  480    HD2  HIS  68           HD2      HIS  68  -3.427   2.851   2.851
  481    HE1  HIS  68           HE1      HIS  68  -6.823   0.396   0.396
  482    HA   PRO  69           HA       PRO  69  -7.054   1.369   1.369
  483   1HB   PRO  69          2HB       PRO  69  -7.538  -1.347  -1.347
  484   2HB   PRO  69          1HB       PRO  69  -6.546  -0.521  -0.521
  485   1HG   PRO  69          2HG       PRO  69  -5.674  -2.013  -2.013
  486   2HG   PRO  69          1HG       PRO  69  -5.027  -2.085  -2.085
  487   1HD   PRO  69          2HD       PRO  69  -3.788  -0.662  -0.662
  488   2HD   PRO  69          1HD       PRO  69  -3.894  -0.058  -0.058
  489    H    LYS  70           H        LYS  70  -7.835   2.378   2.378
  490    HA   LYS  70           HA       LYS  70  -8.582   0.735   0.735
  491   1HB   LYS  70          2HB       LYS  70  -8.870   3.678   3.678
  492   2HB   LYS  70          1HB       LYS  70  -9.139   2.979   2.979
  493   1HG   LYS  70          2HG       LYS  70  -6.935   2.975   2.975
  494   2HG   LYS  70          1HG       LYS  70  -6.570   2.172   2.172
  495   1HD   LYS  70          2HD       LYS  70  -5.491   4.373   4.373
  496   2HD   LYS  70          1HD       LYS  70  -6.752   4.355   4.355
  497   1HE   LYS  70          2HE       LYS  70  -7.870   5.135   5.135
  498   2HE   LYS  70          1HE       LYS  70  -6.522   6.199   6.199
  499   1HZ   LYS  70          3HZ       LYS  70  -7.565   6.117   6.117
  500   2HZ   LYS  70          2HZ       LYS  70  -8.967   5.571   5.571
  501   3HZ   LYS  70          1HZ       LYS  70  -8.316   7.093   7.093
  502    H    GLN  71           H        GLN  71 -10.548   3.367   3.367
  503    HA   GLN  71           HA       GLN  71 -12.943   1.706   1.706
  504   1HB   GLN  71          2HB       GLN  71 -14.028   3.956   3.956
  505   2HB   GLN  71          1HB       GLN  71 -12.976   3.925   3.925
  506   1HG   GLN  71          2HG       GLN  71 -11.336   4.550   4.550
  507   2HG   GLN  71          1HG       GLN  71 -12.770   5.563   5.563
  508   1HE2  GLN  71          2HE2      GLN  71 -10.495   5.954   5.954
  509   2HE2  GLN  71          1HE2      GLN  71 -10.593   4.425   4.425
  510    H    ARG  72           H        ARG  72 -11.701   0.529   0.529
  511    HA   ARG  72           HA       ARG  72 -11.783   0.048   0.048
  512   1HB   ARG  72          2HB       ARG  72 -14.443   1.030   1.030
  513   2HB   ARG  72          1HB       ARG  72 -14.232   0.806   0.806
  514   1HG   ARG  72          2HG       ARG  72 -13.080  -1.460  -1.460
  515   2HG   ARG  72          1HG       ARG  72 -14.645  -1.193  -1.193
  516   1HD   ARG  72          2HD       ARG  72 -14.146  -1.424  -1.424
  517   2HD   ARG  72          1HD       ARG  72 -14.973  -2.615  -2.615
  518    HE   ARG  72           HE       ARG  72 -16.440  -0.424  -0.424
  519   1HH1  ARG  72          1HH2      ARG  72 -15.494   1.027   1.027
  520   2HH1  ARG  72          2HH2      ARG  72 -16.625   0.543   0.543
  521   1HH2  ARG  72          2HH1      ARG  72 -17.783  -2.194  -2.194
  522   2HH2  ARG  72          1HH1      ARG  72 -17.921  -1.280  -1.280
  523    HA   PRO  73           HA       PRO  73 -11.172   4.608   4.608
  524   1HB   PRO  73          2HB       PRO  73  -8.438   4.620   4.620
  525   2HB   PRO  73          1HB       PRO  73  -9.363   4.964   4.964
  526   1HG   PRO  73          2HG       PRO  73  -7.965   2.472   2.472
  527   2HG   PRO  73          1HG       PRO  73  -8.126   3.203   3.203
  528   1HD   PRO  73          2HD       PRO  73  -9.605   1.065   1.065
  529   2HD   PRO  73          1HD       PRO  73 -10.133   2.192   2.192
  530    H    GLY  74           HN       GLY  74 -10.144   5.401   5.401
  531   1HA   GLY  74          2HA       GLY  74  -9.098   4.958   4.958
  532   2HA   GLY  74          1HA       GLY  74  -9.354   3.232   3.232
  533   1H    MET   1          3H        MET  75 -12.257  -5.528  -5.528
  534   2H    MET   1          2H        MET  75 -12.567  -6.286  -6.286
  535   3H    MET   1          1H        MET  75 -13.736  -5.273  -5.273
  536    HA   MET   1           HA       MET  75 -12.681  -3.356  -3.356
  537   1HB   MET   1          2HB       MET  75 -13.342  -4.600  -4.600
  538   2HB   MET   1          1HB       MET  75 -11.856  -5.549  -5.549
  539   1HG   MET   1          2HG       MET  75 -10.674  -3.934  -3.934
  540   2HG   MET   1          1HG       MET  75 -11.334  -2.673  -2.673
  541   1HE   MET   1          1HE       MET  75 -10.660  -3.561  -3.561
  542   2HE   MET   1          3HE       MET  75 -10.890  -1.808  -1.808
  543   3HE   MET   1          2HE       MET  75 -11.828  -2.781  -2.781
  544    H    ARG   2           H        ARG  76 -11.089  -3.164  -3.164
  545    HA   ARG   2           HA       ARG  76  -8.365  -2.917  -2.917
  546   1HB   ARG   2          2HB       ARG  76  -9.295  -5.429  -5.429
  547   2HB   ARG   2          1HB       ARG  76  -7.939  -4.760  -4.760
  548   1HG   ARG   2          2HG       ARG  76  -6.474  -4.950  -4.950
  549   2HG   ARG   2          1HG       ARG  76  -7.739  -4.742  -4.742
  550   1HD   ARG   2          2HD       ARG  76  -8.602  -7.064  -7.064
  551   2HD   ARG   2          1HD       ARG  76  -6.914  -7.233  -7.233
  552    HE   ARG   2           HE       ARG  76  -7.635  -6.566  -6.566
  553   1HH1  ARG   2          1HH2      ARG  76  -4.764  -6.498  -6.498
  554   2HH1  ARG   2          2HH2      ARG  76  -4.187  -8.047  -8.047
  555   1HH2  ARG   2          2HH1      ARG  76  -7.356  -9.325  -9.325
  556   2HH2  ARG   2          1HH1      ARG  76  -5.654  -9.647  -9.647
  557    H    TYR   3           H        TYR  77  -6.930  -2.092  -2.092
  558    HA   TYR   3           HA       TYR  77  -8.334  -0.834  -0.834
  559   1HB   TYR   3          2HB       TYR  77  -5.470  -0.257  -0.257
  560   2HB   TYR   3          1HB       TYR  77  -6.801   0.873   0.873
  561    HD1  TYR   3           HD2      TYR  77  -4.894  -1.120  -1.120
  562    HD2  TYR   3           HD1      TYR  77  -8.069   1.720   1.720
  563    HE1  TYR   3           HE2      TYR  77  -4.889  -0.648  -0.648
  564    HE2  TYR   3           HE1      TYR  77  -8.059   2.199   2.199
  565    HH   TYR   3           HH       TYR  77  -5.870   0.444   0.444
  566    H    TYR   4           H        TYR  78  -8.193  -3.440  -3.440
  567    HA   TYR   4           HA       TYR  78  -5.774  -4.670  -4.670
  568   1HB   TYR   4          2HB       TYR  78  -8.554  -5.223  -5.223
  569   2HB   TYR   4          1HB       TYR  78  -8.088  -5.781  -5.781
  570    HD1  TYR   4           HD1      TYR  78  -6.192  -5.670  -5.670
  571    HD2  TYR   4           HD2      TYR  78  -7.833  -8.083  -8.083
  572    HE1  TYR   4           HE1      TYR  78  -5.157  -7.689  -7.689
  573    HE2  TYR   4           HE2      TYR  78  -6.800 -10.099 -10.099
  574    HH   TYR   4           HH       TYR  78  -5.635 -10.912 -10.912
  575    H    GLU   5           H        GLU  79  -6.167  -5.833  -5.833
  576    HA   GLU   5           HA       GLU  79  -5.864  -3.644  -3.644
  577   1HB   GLU   5          2HB       GLU  79  -4.920  -5.567  -5.567
  578   2HB   GLU   5          1HB       GLU  79  -4.073  -5.265  -5.265
  579   1HG   GLU   5          2HG       GLU  79  -4.956  -7.159  -7.159
  580   2HG   GLU   5          1HG       GLU  79  -6.361  -7.207  -7.207
  581    H    SER   6           H        SER  80  -8.330  -3.363  -3.363
  582    HA   SER   6           HA       SER  80  -9.592  -4.369  -4.369
  583   1HB   SER   6          2HB       SER  80  -9.616  -6.576  -6.576
  584   2HB   SER   6          1HB       SER  80  -9.654  -6.150  -6.150
  585    HG   SER   6           HG       SER  80 -11.823  -5.606  -5.606
  586    H    SER   7           H        SER  81  -9.857  -3.048  -3.048
  587    HA   SER   7           HA       SER  81 -12.100  -1.368  -1.368
  588   1HB   SER   7          2HB       SER  81 -13.395  -2.531  -2.531
  589   2HB   SER   7          1HB       SER  81 -13.567  -3.091  -3.091
  590    HG   SER   7           HG       SER  81 -12.867  -4.902  -4.902
  591    H    LEU   8           H        LEU  82 -12.766   0.069   0.069
  592    HA   LEU   8           HA       LEU  82 -10.815   0.158   0.158
  593   1HB   LEU   8          2HB       LEU  82 -10.316   1.582   1.582
  594   2HB   LEU   8          1HB       LEU  82 -11.593   2.630   2.630
  595    HG   LEU   8           HG       LEU  82  -9.601   3.530   3.530
  596   1HD1  LEU   8          1HD1      LEU  82 -10.816   1.644   1.644
  597   2HD1  LEU   8          3HD1      LEU  82  -9.739   2.981   2.981
  598   3HD1  LEU   8          2HD1      LEU  82 -11.311   3.304   3.304
  599   1HD2  LEU   8          2HD2      LEU  82  -8.577   0.998   0.998
  600   2HD2  LEU   8          1HD2      LEU  82  -7.712   2.321   2.321
  601   3HD2  LEU   8          3HD2      LEU  82  -8.560   1.121   1.121
  602    H    LYS   9           H        LYS  83 -13.262  -0.758  -0.758
  603    HA   LYS   9           HA       LYS  83 -14.612   1.573   1.573
  604   1HB   LYS   9          2HB       LYS  83 -16.459  -0.526  -0.526
  605   2HB   LYS   9          1HB       LYS  83 -16.565   1.214   1.214
  606   1HG   LYS   9          2HG       LYS  83 -14.725  -0.539  -0.539
  607   2HG   LYS   9          1HG       LYS  83 -16.384  -0.185  -0.185
  608   1HD   LYS   9          2HD       LYS  83 -14.844   2.195   2.195
  609   2HD   LYS   9          1HD       LYS  83 -14.211   1.373   1.373
  610   1HE   LYS   9          2HE       LYS  83 -16.952   1.355   1.355
  611   2HE   LYS   9          1HE       LYS  83 -16.670   2.945   2.945
  612   1HZ   LYS   9          2HZ       LYS  83 -14.728   1.987   1.987
  613   2HZ   LYS   9          1HZ       LYS  83 -16.230   2.522   2.522
  614   3HZ   LYS   9          3HZ       LYS  83 -15.253   3.571   3.571
  615    H    SER  10           H        SER  84 -12.818  -0.192  -0.192
  616    HA   SER  10           HA       SER  84 -12.656  -1.839  -1.839
  617   1HB   SER  10          2HB       SER  84 -13.689  -0.914  -0.914
  618   2HB   SER  10          1HB       SER  84 -13.933   0.415   0.415
  619    HG   SER  10           HG       SER  84 -15.994  -0.292  -0.292
  620    H    TYR  11           H        TYR  85 -14.243  -2.669  -2.669
  621    HA   TYR  11           HA       TYR  85 -16.627  -4.071  -4.071
  622   1HB   TYR  11          2HB       TYR  85 -16.570  -4.870  -4.870
  623   2HB   TYR  11          1HB       TYR  85 -15.786  -3.293  -3.293
  624    HD1  TYR  11           HD1      TYR  85 -13.265  -3.155  -3.155
  625    HD2  TYR  11           HD2      TYR  85 -15.375  -6.880  -6.880
  626    HE1  TYR  11           HE1      TYR  85 -11.216  -4.228  -4.228
  627    HE2  TYR  11           HE2      TYR  85 -13.324  -7.952  -7.952
  628    HH   TYR  11           HH       TYR  85 -11.150  -6.966  -6.966
  629    HA   PRO  12           HA       PRO  86 -14.612  -7.514  -7.514
  630   1HB   PRO  12          2HB       PRO  86 -16.831  -9.087  -9.087
  631   2HB   PRO  12          1HB       PRO  86 -16.501  -7.685  -7.685
  632   1HG   PRO  12          2HG       PRO  86 -18.362  -7.940  -7.940
  633   2HG   PRO  12          1HG       PRO  86 -18.547  -7.032  -7.032
  634   1HD   PRO  12          2HD       PRO  86 -17.867  -5.904  -5.904
  635   2HD   PRO  12          1HD       PRO  86 -17.470  -5.200  -5.200
  636    H    ASP  13           HN       ASP  87 -17.123  -8.348  -8.348
  637    HA   ASP  13           HA       ASP  87 -15.228  -9.703  -9.703
  638   1HB   ASP  13          2HB       ASP  87 -15.680 -11.122 -11.122
  639   2HB   ASP  13          1HB       ASP  87 -17.157 -11.570 -11.570

  Start of MODEL    3
    1   1H    ILE   1          1H        ILE   1   7.656  15.521  15.521
    2   2H    ILE   1          3H        ILE   1   7.811  16.230  16.230
    3   3H    ILE   1          2H        ILE   1   6.820  16.956  16.956
    4    HA   ILE   1           HA       ILE   1   5.263  15.894  15.894
    5    HB   ILE   1           HB       ILE   1   5.860  13.521  13.521
    6   1HG1  ILE   1          2HG1      ILE   1   8.693  14.338  14.338
    7   2HG1  ILE   1          1HG1      ILE   1   7.750  13.484  13.484
    8   1HG2  ILE   1          3HG2      ILE   1   7.019  16.118  16.118
    9   2HG2  ILE   1          2HG2      ILE   1   7.815  14.691  14.691
   10   3HG2  ILE   1          1HG2      ILE   1   6.092  14.947  14.947
   11   1HD1  ILE   1          3HD1      ILE   1   7.423  12.222  12.222
   12   2HD1  ILE   1          2HD1      ILE   1   9.133  12.342  12.342
   13   3HD1  ILE   1          1HD1      ILE   1   8.017  11.525  11.525
   14    H    VAL   2           H        VAL   2   3.683  14.183  14.183
   15    HA   VAL   2           HA       VAL   2   4.103  13.251  13.251
   16    HB   VAL   2           HB       VAL   2   1.487  13.736  13.736
   17   1HG1  VAL   2          2HG1      VAL   2   2.320  13.627  13.627
   18   2HG1  VAL   2          1HG1      VAL   2   0.708  14.074  14.074
   19   3HG1  VAL   2          3HG1      VAL   2   1.325  12.450  12.450
   20   1HG2  VAL   2          2HG2      VAL   2   3.481  15.659  15.659
   21   2HG2  VAL   2          1HG2      VAL   2   2.061  15.930  15.930
   22   3HG2  VAL   2          3HG2      VAL   2   1.899  15.887  15.887
   23    H    CYS   3           H        CYS   3   3.035  11.168  11.168
   24    HA   CYS   3           HA       CYS   3   2.677   9.405   9.405
   25   1HB   CYS   3          2HB       CYS   3   3.856   8.521   8.521
   26   2HB   CYS   3          1HB       CYS   3   4.034   7.803   7.803
   27    H    HIS   4           H        HIS   4   1.127   7.715   7.715
   28    HA   HIS   4           HA       HIS   4  -0.895   8.229   8.229
   29   1HB   HIS   4          2HB       HIS   4  -0.960   6.134   6.134
   30   2HB   HIS   4          1HB       HIS   4  -2.312   6.923   6.923
   31    HD1  HIS   4           HD1      HIS   4  -1.634   9.830   9.830
   32    HD2  HIS   4           HD2      HIS   4  -1.126   7.086   7.086
   33    HE1  HIS   4           HE1      HIS   4  -1.617  11.171  11.171
   34    H    THR   5           H        THR   5  -1.566   6.577   6.577
   35    HA   THR   5           HA       THR   5   0.397   4.318   4.318
   36    HB   THR   5           HB       THR   5   0.642   4.699   4.699
   37    HG1  THR   5           HG1      THR   5  -1.464   4.195   4.195
   38   1HG2  THR   5          1HG2      THR   5   1.091   6.911   6.911
   39   2HG2  THR   5          3HG2      THR   5  -0.548   7.402   7.402
   40   3HG2  THR   5          2HG2      THR   5   0.627   7.050   7.050
   41    H    THR   6           H        THR   6  -0.623   2.620   2.620
   42    HA   THR   6           HA       THR   6  -3.503   2.158   2.158
   43    HB   THR   6           HB       THR   6  -2.440  -0.065  -0.065
   44    HG1  THR   6           HG1      THR   6  -0.431   1.126   1.126
   45   1HG2  THR   6          2HG2      THR   6  -4.442   1.277   1.277
   46   2HG2  THR   6          1HG2      THR   6  -3.368   2.498   2.498
   47   3HG2  THR   6          3HG2      THR   6  -3.419   0.878   0.878
   48    H    ALA   7           H        ALA   7  -0.369   1.442   1.442
   49    HA   ALA   7           HA       ALA   7  -1.200  -1.013  -1.013
   50   1HB   ALA   7          2HB       ALA   7   1.263   0.430   0.430
   51   2HB   ALA   7          1HB       ALA   7   1.352  -0.465  -0.465
   52   3HB   ALA   7          3HB       ALA   7   0.942  -1.312  -1.312
   53    H    THR   8           H        THR   8  -0.651   2.376   2.376
   54    HA   THR   8           HA       THR   8  -0.844   1.753   1.753
   55    HB   THR   8           HB       THR   8  -0.500   4.419   4.419
   56    HG1  THR   8           HG1      THR   8   0.504   5.004   5.004
   57   1HG2  THR   8          2HG2      THR   8   1.560   2.251   2.251
   58   2HG2  THR   8          1HG2      THR   8   1.991   3.930   3.930
   59   3HG2  THR   8          3HG2      THR   8   1.096   3.001   3.001
   60    H    SER   9           H        SER   9  -2.018   4.752   4.752
   61    HA   SER   9           HA       SER   9  -4.582   4.526   4.526
   62   1HB   SER   9          2HB       SER   9  -2.951   6.470   6.470
   63   2HB   SER   9          1HB       SER   9  -4.337   6.414   6.414
   64    HG   SER   9           HG       SER   9  -4.135   7.416   7.416
   65    HA   PRO  10           HA       PRO  10  -7.069   2.838   2.838
   66   1HB   PRO  10          2HB       PRO  10  -8.679   4.775   4.775
   67   2HB   PRO  10          1HB       PRO  10  -8.960   4.056   4.056
   68   1HG   PRO  10          2HG       PRO  10  -7.728   6.666   6.666
   69   2HG   PRO  10          1HG       PRO  10  -8.812   6.245   6.245
   70   1HD   PRO  10          2HD       PRO  10  -6.138   6.549   6.549
   71   2HD   PRO  10          1HD       PRO  10  -7.110   5.470   5.470
   72    H    ILE  11           H        ILE  11  -6.476   6.037   6.037
   73    HA   ILE  11           HA       ILE  11  -4.453   5.357   5.357
   74    HB   ILE  11           HB       ILE  11  -7.064   4.431   4.431
   75   1HG1  ILE  11          2HG1      ILE  11  -4.272   4.358   4.358
   76   2HG1  ILE  11          1HG1      ILE  11  -5.358   3.020   3.020
   77   1HG2  ILE  11          1HG2      ILE  11  -6.014   6.563   6.563
   78   2HG2  ILE  11          3HG2      ILE  11  -7.255   5.388   5.388
   79   3HG2  ILE  11          2HG2      ILE  11  -7.568   6.571   6.571
   80   1HD1  ILE  11          1HD1      ILE  11  -6.625   3.987   3.987
   81   2HD1  ILE  11          3HD1      ILE  11  -4.978   4.491   4.491
   82   3HD1  ILE  11          2HD1      ILE  11  -5.339   2.786   2.786
   83    H    SER  12           H        SER  12  -3.569   7.273   7.273
   84    HA   SER  12           HA       SER  12  -4.876   9.649   9.649
   85   1HB   SER  12          2HB       SER  12  -4.770  10.890  10.890
   86   2HB   SER  12          1HB       SER  12  -5.867   9.515   9.515
   87    HG   SER  12           HG       SER  12  -3.314   9.874   9.874
   88    H    ALA  13           H        ALA  13  -3.286  11.284  11.284
   89    HA   ALA  13           HA       ALA  13  -0.548  10.263  10.263
   90   1HB   ALA  13          2HB       ALA  13  -2.172  12.235  12.235
   91   2HB   ALA  13          1HB       ALA  13  -0.590  12.890  12.890
   92   3HB   ALA  13          3HB       ALA  13  -0.701  11.431  11.431
   93    H    VAL  14           H        VAL  14   0.409  10.401  10.401
   94    HA   VAL  14           HA       VAL  14   0.266  13.054  13.054
   95    HB   VAL  14           HB       VAL  14   0.599  11.932  11.932
   96   1HG1  VAL  14          3HG1      VAL  14  -1.292  10.867  10.867
   97   2HG1  VAL  14          2HG1      VAL  14  -0.269   9.438   9.438
   98   3HG1  VAL  14          1HG1      VAL  14  -0.912  10.207  10.207
   99   1HG2  VAL  14          2HG2      VAL  14   2.825  11.056  11.056
  100   2HG2  VAL  14          1HG2      VAL  14   1.887   9.853   9.853
  101   3HG2  VAL  14          3HG2      VAL  14   2.038   9.728   9.728
  102    H    THR  15           H        THR  15   2.151  14.155  14.155
  103    HA   THR  15           HA       THR  15   4.311  13.883  13.883
  104    HB   THR  15           HB       THR  15   4.428  15.223  15.223
  105    HG1  THR  15           HG1      THR  15   2.756  16.334  16.334
  106   1HG2  THR  15          1HG2      THR  15   5.926  15.292  15.292
  107   2HG2  THR  15          3HG2      THR  15   5.313  16.895  16.895
  108   3HG2  THR  15          2HG2      THR  15   6.324  16.021  16.021
  109    H    CYS  16           H        CYS  16   6.327  12.860  12.860
  110    HA   CYS  16           HA       CYS  16   6.913  11.479  11.479
  111   1HB   CYS  16          2HB       CYS  16   6.490  10.440  10.440
  112   2HB   CYS  16          1HB       CYS  16   7.809   9.715   9.715
  113    HA   PRO  17           HA       PRO  17  10.495  13.758  13.758
  114   1HB   PRO  17          2HB       PRO  17  10.886  15.625  15.625
  115   2HB   PRO  17          1HB       PRO  17   9.828  15.873  15.873
  116   1HG   PRO  17          2HG       PRO  17   9.130  15.222  15.222
  117   2HG   PRO  17          1HG       PRO  17   8.258  16.197  16.197
  118   1HD   PRO  17          2HD       PRO  17   7.606  13.599  13.599
  119   2HD   PRO  17          1HD       PRO  17   7.124  14.407  14.407
  120    HA   PRO  18           HA       PRO  18  12.758  12.578  12.578
  121   1HB   PRO  18          2HB       PRO  18  11.479  10.837  10.837
  122   2HB   PRO  18          1HB       PRO  18  11.378  12.600  12.600
  123   1HG   PRO  18          2HG       PRO  18   9.413  10.696  10.696
  124   2HG   PRO  18          1HG       PRO  18   9.145  12.174  12.174
  125   1HD   PRO  18          2HD       PRO  18   8.871  11.981  11.981
  126   2HD   PRO  18          1HD       PRO  18   9.179  13.490  13.490
  127    H    GLY  19           H        GLY  19  14.060  11.321  11.321
  128   1HA   GLY  19          2HA       GLY  19  15.101   9.210   9.210
  129   2HA   GLY  19          1HA       GLY  19  13.634   8.406   8.406
  130    H    GLU  20           H        GLU  20  11.656   9.105   9.105
  131    HA   GLU  20           HA       GLU  20  12.275   7.909   7.909
  132   1HB   GLU  20          2HB       GLU  20  10.085   7.681   7.681
  133   2HB   GLU  20          1HB       GLU  20   9.955   9.402   9.402
  134   1HG   GLU  20          2HG       GLU  20  10.434   8.638   8.638
  135   2HG   GLU  20          1HG       GLU  20   8.827   8.326   8.326
  136    H    ASN  21           H        ASN  21  12.709   8.823   8.823
  137    HA   ASN  21           HA       ASN  21  12.998  11.790  11.790
  138   1HB   ASN  21          2HB       ASN  21  14.354   9.437   9.437
  139   2HB   ASN  21          1HB       ASN  21  14.623  11.109  11.109
  140   1HD2  ASN  21          2HD2      ASN  21  15.915   9.975   9.975
  141   2HD2  ASN  21          1HD2      ASN  21  14.561   9.215   9.215
  142    H    LEU  22           H        LEU  22  11.353   8.997   8.997
  143    HA   LEU  22           HA       LEU  22   9.665  10.584  10.584
  144   1HB   LEU  22          2HB       LEU  22  10.052   9.051   9.051
  145   2HB   LEU  22          1HB       LEU  22  11.599   9.707   9.707
  146    HG   LEU  22           HG       LEU  22  11.159   7.402   7.402
  147   1HD1  LEU  22          3HD1      LEU  22   9.559   7.092   7.092
  148   2HD1  LEU  22          2HD1      LEU  22  11.078   6.454   6.454
  149   3HD1  LEU  22          1HD1      LEU  22  10.348   5.743   5.743
  150   1HD2  LEU  22          1HD2      LEU  22  13.076   8.544   8.544
  151   2HD2  LEU  22          3HD2      LEU  22  13.353   7.383   7.383
  152   3HD2  LEU  22          2HD2      LEU  22  12.928   6.815   6.815
  153    H    CYS  23           H        CYS  23   7.963   8.805   8.805
  154    HA   CYS  23           HA       CYS  23   7.011   7.344   7.344
  155   1HB   CYS  23          2HB       CYS  23   5.665   7.886   7.886
  156   2HB   CYS  23          1HB       CYS  23   4.882   7.460   7.460
  157    H    TYR  24           H        TYR  24   5.594   5.290   5.290
  158    HA   TYR  24           HA       TYR  24   7.030   3.926   3.926
  159   1HB   TYR  24          2HB       TYR  24   8.083   2.275   2.275
  160   2HB   TYR  24          1HB       TYR  24   8.449   3.821   3.821
  161    HD1  TYR  24           HD1      TYR  24   6.223   0.863   0.863
  162    HD2  TYR  24           HD2      TYR  24   7.624   4.352   4.352
  163    HE1  TYR  24           HE1      TYR  24   5.112   0.087   0.087
  164    HE2  TYR  24           HE2      TYR  24   6.514   3.579   3.579
  165    HH   TYR  24           HH       TYR  24   5.751   1.444   1.444
  166    H    ARG  25           H        ARG  25   6.295   1.573   1.573
  167    HA   ARG  25           HA       ARG  25   3.473   1.306   1.306
  168   1HB   ARG  25          2HB       ARG  25   4.544   0.677   0.677
  169   2HB   ARG  25          1HB       ARG  25   2.871   0.498   0.498
  170   1HG   ARG  25          2HG       ARG  25   2.558   2.617   2.617
  171   2HG   ARG  25          1HG       ARG  25   3.493   3.121   3.121
  172   1HD   ARG  25          2HD       ARG  25   4.543   4.130   4.130
  173   2HD   ARG  25          1HD       ARG  25   5.588   2.783   2.783
  174    HE   ARG  25           HE       ARG  25   5.127   1.941   1.941
  175   1HH1  ARG  25          1HH2      ARG  25   2.707   0.580   0.580
  176   2HH1  ARG  25          2HH2      ARG  25   1.494   1.381   1.381
  177   1HH2  ARG  25          2HH1      ARG  25   3.413   4.219   4.219
  178   2HH2  ARG  25          1HH1      ARG  25   1.894   3.442   3.442
  179    H    LYS  26           H        LYS  26   3.553  -0.561  -0.561
  180    HA   LYS  26           HA       LYS  26   5.485  -2.690  -2.690
  181   1HB   LYS  26          2HB       LYS  26   4.493  -1.559  -1.559
  182   2HB   LYS  26          1HB       LYS  26   4.225  -3.293  -3.293
  183   1HG   LYS  26          2HG       LYS  26   6.459  -3.787  -3.787
  184   2HG   LYS  26          1HG       LYS  26   6.872  -2.351  -2.351
  185   1HD   LYS  26          2HD       LYS  26   5.853  -1.419  -1.419
  186   2HD   LYS  26          1HD       LYS  26   6.972  -2.726  -2.726
  187   1HE   LYS  26          2HE       LYS  26   8.157  -1.144  -1.144
  188   2HE   LYS  26          1HE       LYS  26   7.627  -0.058  -0.058
  189   1HZ   LYS  26          1HZ       LYS  26   8.572  -1.914  -1.914
  190   2HZ   LYS  26          3HZ       LYS  26   9.465  -2.355  -2.355
  191   3HZ   LYS  26          2HZ       LYS  26   9.641  -0.801  -0.801
  192    H    MET  27           H        MET  27   4.736  -4.892  -4.892
  193    HA   MET  27           HA       MET  27   1.867  -5.423  -5.423
  194   1HB   MET  27          2HB       MET  27   3.567  -5.083  -5.083
  195   2HB   MET  27          1HB       MET  27   2.654  -6.588  -6.588
  196   1HG   MET  27          2HG       MET  27   0.626  -5.517  -5.517
  197   2HG   MET  27          1HG       MET  27   1.171  -4.127  -4.127
  198   1HE   MET  27          3HE       MET  27   3.051  -2.863  -2.863
  199   2HE   MET  27          2HE       MET  27   4.004  -3.157  -3.157
  200   3HE   MET  27          1HE       MET  27   2.864  -1.814  -1.814
  201    H    TRP  28           H        TRP  28   1.482  -7.575  -7.575
  202    HA   TRP  28           HA       TRP  28   3.650  -9.530  -9.530
  203   1HB   TRP  28          2HB       TRP  28   3.450  -9.614  -9.614
  204   2HB   TRP  28          1HB       TRP  28   4.556  -8.508  -8.508
  205    HD1  TRP  28           HD1      TRP  28   0.721  -8.211  -8.211
  206    HE1  TRP  28           HE1      TRP  28   0.337  -6.009  -6.009
  207    HE3  TRP  28           HE3      TRP  28   5.523  -6.507  -6.507
  208    HZ2  TRP  28           HZ2      TRP  28   1.852  -3.831  -3.831
  209    HZ3  TRP  28           HZ3      TRP  28   6.025  -4.360  -4.360
  210    HH2  TRP  28           HH2      TRP  28   4.192  -3.014  -3.014
  211    H    CYS  29           H        CYS  29   1.603  -9.758  -9.758
  212    HA   CYS  29           HA       CYS  29  -0.516 -11.284 -11.284
  213   1HB   CYS  29          2HB       CYS  29   1.793 -12.372 -12.372
  214   2HB   CYS  29          1HB       CYS  29   0.277 -12.926 -12.926
  215    H    ASP  30           H        ASP  30  -1.629 -12.413 -12.413
  216    HA   ASP  30           HA       ASP  30  -1.853 -10.220 -10.220
  217   1HB   ASP  30          2HB       ASP  30  -4.287 -10.077 -10.077
  218   2HB   ASP  30          1HB       ASP  30  -3.408  -9.706  -9.706
  219    H    ALA  31           H        ALA  31  -4.534 -11.565 -11.565
  220    HA   ALA  31           HA       ALA  31  -3.408 -13.515 -13.515
  221   1HB   ALA  31          1HB       ALA  31  -5.509 -11.779 -11.779
  222   2HB   ALA  31          3HB       ALA  31  -6.338 -13.288 -13.288
  223   3HB   ALA  31          2HB       ALA  31  -5.393 -13.153 -13.153
  224    H    PHE  32           H        PHE  32  -4.548 -13.674 -13.674
  225    HA   PHE  32           HA       PHE  32  -5.103 -16.610 -16.610
  226   1HB   PHE  32          2HB       PHE  32  -6.370 -14.360 -14.360
  227   2HB   PHE  32          1HB       PHE  32  -6.194 -15.836 -15.836
  228    HD1  PHE  32           HD2      PHE  32  -6.556 -18.014 -18.014
  229    HD2  PHE  32           HD1      PHE  32  -8.532 -14.200 -14.200
  230    HE1  PHE  32           HE2      PHE  32  -8.487 -19.016 -19.016
  231    HE2  PHE  32           HE1      PHE  32 -10.462 -15.202 -15.202
  232    HZ   PHE  32           HZ       PHE  32 -10.440 -17.610 -17.610
  233    H    CYS  33           H        CYS  33  -3.455 -14.086 -14.086
  234    HA   CYS  33           HA       CYS  33  -1.860 -14.251 -14.251
  235   1HB   CYS  33          2HB       CYS  33  -0.777 -14.920 -14.920
  236   2HB   CYS  33          1HB       CYS  33  -1.006 -16.598 -16.598
  237    H    SER  34           H        SER  34  -3.685 -15.092 -15.092
  238    HA   SER  34           HA       SER  34  -2.795 -17.603 -17.603
  239   1HB   SER  34          2HB       SER  34  -5.451 -17.352 -17.352
  240   2HB   SER  34          1HB       SER  34  -5.046 -18.678 -18.678
  241    HG   SER  34           HG       SER  34  -3.272 -19.139 -19.139
  242    H    SER  35           H        SER  35  -5.944 -17.546 -17.546
  243    HA   SER  35           HA       SER  35  -5.501 -16.309 -16.309
  244   1HB   SER  35          2HB       SER  35  -7.695 -17.080 -17.080
  245   2HB   SER  35          1HB       SER  35  -7.086 -18.209 -18.209
  246    HG   SER  35           HG       SER  35  -8.787 -15.971 -15.971
  247    H    ARG  36           H        ARG  36  -6.026 -14.868 -14.868
  248    HA   ARG  36           HA       ARG  36  -7.784 -12.699 -12.699
  249   1HB   ARG  36          2HB       ARG  36  -6.643 -13.721 -13.721
  250   2HB   ARG  36          1HB       ARG  36  -6.771 -11.963 -11.963
  251   1HG   ARG  36          2HG       ARG  36  -9.134 -13.431 -13.431
  252   2HG   ARG  36          1HG       ARG  36  -8.828 -13.599 -13.599
  253   1HD   ARG  36          2HD       ARG  36  -8.972 -11.247 -11.247
  254   2HD   ARG  36          1HD       ARG  36  -8.839 -10.895 -10.895
  255    HE   ARG  36           HE       ARG  36 -11.069 -12.019 -12.019
  256   1HH1  ARG  36          1HH2      ARG  36 -11.586 -13.411 -13.411
  257   2HH1  ARG  36          2HH2      ARG  36 -12.486 -12.289 -12.289
  258   1HH2  ARG  36          2HH1      ARG  36 -11.560  -9.523  -9.523
  259   2HH2  ARG  36          1HH1      ARG  36 -12.472 -10.089 -10.089
  260    H    GLY  37           H        GLY  37  -4.927 -13.246 -13.246
  261   1HA   GLY  37          2HA       GLY  37  -3.021 -11.987 -11.987
  262   2HA   GLY  37          1HA       GLY  37  -4.151 -10.631 -10.631
  263    H    LYS  38           H        LYS  38  -1.892  -9.683  -9.683
  264    HA   LYS  38           HA       LYS  38  -1.555 -10.073 -10.073
  265   1HB   LYS  38          2HB       LYS  38   0.474  -8.898  -8.898
  266   2HB   LYS  38          1HB       LYS  38   0.295  -9.880  -9.880
  267   1HG   LYS  38          2HG       LYS  38  -1.070  -7.481  -7.481
  268   2HG   LYS  38          1HG       LYS  38   0.427  -7.011  -7.011
  269   1HD   LYS  38          2HD       LYS  38   1.065  -7.126  -7.126
  270   2HD   LYS  38          1HD       LYS  38   1.564  -8.695  -8.695
  271   1HE   LYS  38          2HE       LYS  38  -0.410  -9.770  -9.770
  272   2HE   LYS  38          1HE       LYS  38  -1.101  -8.203  -8.203
  273   1HZ   LYS  38          1HZ       LYS  38   1.163  -7.919  -7.919
  274   2HZ   LYS  38          3HZ       LYS  38   1.225  -9.612  -9.612
  275   3HZ   LYS  38          2HZ       LYS  38  -0.057  -8.843  -8.843
  276    H    VAL  39           H        VAL  39  -1.562  -8.075  -8.075
  277    HA   VAL  39           HA       VAL  39  -3.893  -6.423  -6.423
  278    HB   VAL  39           HB       VAL  39  -1.669  -5.688  -5.688
  279   1HG1  VAL  39          3HG1      VAL  39  -4.423  -5.011  -5.011
  280   2HG1  VAL  39          2HG1      VAL  39  -4.261  -5.812  -5.812
  281   3HG1  VAL  39          1HG1      VAL  39  -3.297  -4.380  -4.380
  282   1HG2  VAL  39          3HG2      VAL  39  -2.976  -8.285  -8.285
  283   2HG2  VAL  39          2HG2      VAL  39  -1.663  -7.743  -7.743
  284   3HG2  VAL  39          1HG2      VAL  39  -3.339  -7.458  -7.458
  285    H    VAL  40           H        VAL  40  -2.498  -3.947  -3.947
  286    HA   VAL  40           HA       VAL  40  -0.572  -3.243  -3.243
  287    HB   VAL  40           HB       VAL  40  -3.393  -2.104  -2.104
  288   1HG1  VAL  40          2HG1      VAL  40  -1.008  -0.719  -0.719
  289   2HG1  VAL  40          1HG1      VAL  40  -1.575  -1.094  -1.094
  290   3HG1  VAL  40          3HG1      VAL  40  -2.612  -0.202  -0.202
  291   1HG2  VAL  40          1HG2      VAL  40  -1.767  -3.804  -3.804
  292   2HG2  VAL  40          3HG2      VAL  40  -3.485  -3.909  -3.909
  293   3HG2  VAL  40          2HG2      VAL  40  -2.904  -2.650  -2.650
  294    H    GLU  41           H        GLU  41   0.772  -2.561  -2.561
  295    HA   GLU  41           HA       GLU  41  -0.349  -0.594  -0.594
  296   1HB   GLU  41          2HB       GLU  41   1.958  -2.509  -2.509
  297   2HB   GLU  41          1HB       GLU  41   1.080  -1.637  -1.637
  298   1HG   GLU  41          2HG       GLU  41  -0.883  -3.033  -3.033
  299   2HG   GLU  41          1HG       GLU  41   0.435  -4.177  -4.177
  300    H    LEU  42           H        LEU  42   0.298   1.118   1.118
  301    HA   LEU  42           HA       LEU  42   3.130   1.564   1.564
  302   1HB   LEU  42          2HB       LEU  42   0.936   3.632   3.632
  303   2HB   LEU  42          1HB       LEU  42   2.297   3.416   3.416
  304    HG   LEU  42           HG       LEU  42   0.890   1.008   1.008
  305   1HD1  LEU  42          3HD1      LEU  42  -0.888   3.337   3.337
  306   2HD1  LEU  42          2HD1      LEU  42  -1.363   2.260   2.260
  307   3HD1  LEU  42          1HD1      LEU  42  -1.157   1.622   1.622
  308   1HD2  LEU  42          2HD2      LEU  42   1.646   3.277   3.277
  309   2HD2  LEU  42          1HD2      LEU  42   1.453   1.588   1.588
  310   3HD2  LEU  42          3HD2      LEU  42   0.062   2.672   2.672
  311    H    GLY  43           H        GLY  43   3.765   4.084   4.084
  312   1HA   GLY  43          2HA       GLY  43   2.925   5.365   5.365
  313   2HA   GLY  43          1HA       GLY  43   3.897   4.044   4.044
  314    H    CYS  44           H        CYS  44   5.661   5.246   5.246
  315    HA   CYS  44           HA       CYS  44   7.108   6.887   6.887
  316   1HB   CYS  44          2HB       CYS  44   7.964   7.481   7.481
  317   2HB   CYS  44          1HB       CYS  44   7.111   8.521   8.521
  318    H    ALA  45           H        ALA  45   9.466   6.780   6.780
  319    HA   ALA  45           HA       ALA  45  10.838   4.886   4.886
  320   1HB   ALA  45          2HB       ALA  45   9.431   3.795   3.795
  321   2HB   ALA  45          1HB       ALA  45  11.004   4.060   4.060
  322   3HB   ALA  45          3HB       ALA  45  10.876   3.063   3.063
  323    H    ALA  46           H        ALA  46  13.164   5.038   5.038
  324    HA   ALA  46           HA       ALA  46  13.968   7.579   7.579
  325   1HB   ALA  46          1HB       ALA  46  14.836   5.955   5.955
  326   2HB   ALA  46          3HB       ALA  46  16.015   5.588   5.588
  327   3HB   ALA  46          2HB       ALA  46  15.804   7.249   7.249
  328    H    THR  47           H        THR  47  13.945   4.223   4.223
  329    HA   THR  47           HA       THR  47  14.751   4.967   4.967
  330    HB   THR  47           HB       THR  47  16.644   3.105   3.105
  331    HG1  THR  47           HG1      THR  47  17.460   3.914   3.914
  332   1HG2  THR  47          1HG2      THR  47  16.743   5.673   5.673
  333   2HG2  THR  47          3HG2      THR  47  17.254   5.809   5.809
  334   3HG2  THR  47          2HG2      THR  47  18.198   4.843   4.843
  335    H    CYS  48           H        CYS  48  13.688   3.590   3.590
  336    HA   CYS  48           HA       CYS  48  11.783   1.716   1.716
  337   1HB   CYS  48          2HB       CYS  48  13.559   2.340   2.340
  338   2HB   CYS  48          1HB       CYS  48  13.095   0.638   0.638
  339    HA   PRO  49           HA       PRO  49  14.589  -1.237  -1.237
  340   1HB   PRO  49          2HB       PRO  49  12.694  -2.288  -2.288
  341   2HB   PRO  49          1HB       PRO  49  13.581  -0.796  -0.796
  342   1HG   PRO  49          2HG       PRO  49  10.811  -1.152  -1.152
  343   2HG   PRO  49          1HG       PRO  49  11.480   0.089   0.089
  344   1HD   PRO  49          2HD       PRO  49  10.917   0.436   0.436
  345   2HD   PRO  49          1HD       PRO  49  12.017   1.450   1.450
  346    H    SER  50           H        SER  50  14.956  -2.970  -2.970
  347    HA   SER  50           HA       SER  50  12.691  -4.385  -4.385
  348   1HB   SER  50          2HB       SER  50  14.721  -3.699  -3.699
  349   2HB   SER  50          1HB       SER  50  15.704  -4.707  -4.707
  350    HG   SER  50           HG       SER  50  14.186  -5.389  -5.389
  351    H    LYS  51           H        LYS  51  12.422  -6.697  -6.697
  352    HA   LYS  51           HA       LYS  51  13.614  -7.785  -7.785
  353   1HB   LYS  51          2HB       LYS  51  10.888  -7.622  -7.622
  354   2HB   LYS  51          1HB       LYS  51  11.302  -9.193  -9.193
  355   1HG   LYS  51          2HG       LYS  51  12.214  -6.986  -6.986
  356   2HG   LYS  51          1HG       LYS  51  10.468  -6.958  -6.958
  357   1HD   LYS  51          2HD       LYS  51  10.568  -9.497  -9.497
  358   2HD   LYS  51          1HD       LYS  51  12.161  -9.142  -9.142
  359   1HE   LYS  51          2HE       LYS  51   9.773  -7.484  -7.484
  360   2HE   LYS  51          1HE       LYS  51  10.124  -9.026  -9.026
  361   1HZ   LYS  51          1HZ       LYS  51  12.287  -7.083  -7.083
  362   2HZ   LYS  51          3HZ       LYS  51  11.254  -6.876  -6.876
  363   3HZ   LYS  51          2HZ       LYS  51  12.175  -8.297  -8.297
  364    H    LYS  52           H        LYS  52  13.913 -10.156 -10.156
  365    HA   LYS  52           HA       LYS  52  14.845 -11.097 -11.097
  366   1HB   LYS  52          2HB       LYS  52  15.534 -11.395 -11.395
  367   2HB   LYS  52          1HB       LYS  52  15.471 -12.958 -12.958
  368   1HG   LYS  52          2HG       LYS  52  17.383 -12.532 -12.532
  369   2HG   LYS  52          1HG       LYS  52  16.766 -10.981 -10.981
  370   1HD   LYS  52          2HD       LYS  52  17.283 -10.078 -10.078
  371   2HD   LYS  52          1HD       LYS  52  18.187 -11.569 -11.569
  372   1HE   LYS  52          2HE       LYS  52  19.328 -10.940 -10.940
  373   2HE   LYS  52          1HE       LYS  52  18.794  -9.302  -9.302
  374   1HZ   LYS  52          2HZ       LYS  52  19.744  -9.732  -9.732
  375   2HZ   LYS  52          1HZ       LYS  52  20.455 -11.143 -11.143
  376   3HZ   LYS  52          3HZ       LYS  52  20.902  -9.627  -9.627
  377    HA   PRO  53           HA       PRO  53  11.897 -14.613 -14.613
  378   1HB   PRO  53          2HB       PRO  53   9.792 -13.940 -13.940
  379   2HB   PRO  53          1HB       PRO  53  11.352 -14.510 -14.510
  380   1HG   PRO  53          2HG       PRO  53  10.254 -11.761 -11.761
  381   2HG   PRO  53          1HG       PRO  53  11.298 -12.509 -12.509
  382   1HD   PRO  53          2HD       PRO  53  12.151 -10.781 -10.781
  383   2HD   PRO  53          1HD       PRO  53  13.196 -11.934 -11.934
  384    H    TYR  54           H        TYR  54   9.260 -12.386 -12.386
  385    HA   TYR  54           HA       TYR  54   8.579 -12.354 -12.354
  386   1HB   TYR  54          2HB       TYR  54   6.153 -12.864 -12.864
  387   2HB   TYR  54          1HB       TYR  54   7.227 -14.132 -14.132
  388    HD1  TYR  54           HD2      TYR  54   7.160 -11.970 -11.970
  389    HD2  TYR  54           HD1      TYR  54   7.273 -15.948 -15.948
  390    HE1  TYR  54           HE2      TYR  54   7.337 -12.895 -12.895
  391    HE2  TYR  54           HE1      TYR  54   7.448 -16.874 -16.874
  392    HH   TYR  54           HH       TYR  54   6.676 -15.266 -15.266
  393    H    GLU  55           H        GLU  55   9.335 -10.330 -10.330
  394    HA   GLU  55           HA       GLU  55   6.896  -8.685  -8.685
  395   1HB   GLU  55          2HB       GLU  55   9.440  -8.984  -8.984
  396   2HB   GLU  55          1HB       GLU  55   9.225  -7.297  -7.297
  397   1HG   GLU  55          2HG       GLU  55   7.812  -7.015  -7.015
  398   2HG   GLU  55          1HG       GLU  55   6.728  -8.208  -8.208
  399    H    GLU  56           H        GLU  56   6.333  -7.400  -7.400
  400    HA   GLU  56           HA       GLU  56   8.481  -6.424  -6.424
  401   1HB   GLU  56          2HB       GLU  56   6.619  -7.756  -7.756
  402   2HB   GLU  56          1HB       GLU  56   5.461  -6.599  -6.599
  403   1HG   GLU  56          2HG       GLU  56   6.985  -4.873  -4.873
  404   2HG   GLU  56          1HG       GLU  56   7.317  -6.311  -6.311
  405    H    VAL  57           H        VAL  57   9.121  -4.644  -4.644
  406    HA   VAL  57           HA       VAL  57   7.115  -2.623  -2.623
  407    HB   VAL  57           HB       VAL  57  10.140  -2.784  -2.784
  408   1HG1  VAL  57          2HG1      VAL  57   8.139  -0.709  -0.709
  409   2HG1  VAL  57          1HG1      VAL  57   9.521  -1.009  -1.009
  410   3HG1  VAL  57          3HG1      VAL  57   9.778  -0.500  -0.500
  411   1HG2  VAL  57          1HG2      VAL  57   7.868  -3.773  -3.773
  412   2HG2  VAL  57          3HG2      VAL  57   9.547  -4.311  -4.311
  413   3HG2  VAL  57          2HG2      VAL  57   9.086  -2.899  -2.899
  414    H    THR  58           H        THR  58   7.326  -0.360  -0.360
  415    HA   THR  58           HA       THR  58   8.792   0.017   0.017
  416    HB   THR  58           HB       THR  58   6.062   1.146   1.146
  417    HG1  THR  58           HG1      THR  58   5.287  -1.036  -1.036
  418   1HG2  THR  58          3HG2      THR  58   7.684   1.100   1.100
  419   2HG2  THR  58          2HG2      THR  58   7.305  -0.617  -0.617
  420   3HG2  THR  58          1HG2      THR  58   6.030   0.584   0.584
  421    H    CYS  59           H        CYS  59   7.945   2.594   2.594
  422    HA   CYS  59           HA       CYS  59   8.502   4.115   4.115
  423   1HB   CYS  59          2HB       CYS  59   9.838   4.114   4.114
  424   2HB   CYS  59          1HB       CYS  59   9.705   5.645   5.645
  425    H    CYS  60           H        CYS  60   8.179   6.528   6.528
  426    HA   CYS  60           HA       CYS  60   6.411   7.328   7.328
  427   1HB   CYS  60          2HB       CYS  60   4.532   6.385   6.385
  428   2HB   CYS  60          1HB       CYS  60   5.296   6.137   6.137
  429    H    SER  61           H        SER  61   7.722   9.144   9.144
  430    HA   SER  61           HA       SER  61   8.175  10.822  10.822
  431   1HB   SER  61          2HB       SER  61   9.622  10.050  10.050
  432   2HB   SER  61          1HB       SER  61   9.411  11.792  11.792
  433    HG   SER  61           HG       SER  61  10.888  10.246  10.246
  434    H    THR  62           H        THR  62   5.998  10.701  10.701
  435    HA   THR  62           HA       THR  62   5.794  13.597  13.597
  436    HB   THR  62           HB       THR  62   3.549  11.850  11.850
  437    HG1  THR  62           HG1      THR  62   5.900  11.383  11.383
  438   1HG2  THR  62          1HG2      THR  62   5.429  13.810  13.810
  439   2HG2  THR  62          3HG2      THR  62   4.349  12.811  12.811
  440   3HG2  THR  62          2HG2      THR  62   3.682  13.932  13.932
  441    H    ASP  63           H        ASP  63   3.314  14.405  14.405
  442    HA   ASP  63           HA       ASP  63   2.693  14.403  14.403
  443   1HB   ASP  63          2HB       ASP  63   1.466  15.562  15.562
  444   2HB   ASP  63          1HB       ASP  63   0.747  15.814  15.814
  445    H    LYS  64           H        LYS  64   1.434  12.857  12.857
  446    HA   LYS  64           HA       LYS  64  -0.109  11.077  11.077
  447   1HB   LYS  64          2HB       LYS  64  -1.503  12.480  12.480
  448   2HB   LYS  64          1HB       LYS  64  -2.243  11.594  11.594
  449   1HG   LYS  64          2HG       LYS  64  -0.761  13.482  13.482
  450   2HG   LYS  64          1HG       LYS  64  -1.277  14.374  14.374
  451   1HD   LYS  64          2HD       LYS  64  -3.630  13.519  13.519
  452   2HD   LYS  64          1HD       LYS  64  -3.026  12.963  12.963
  453   1HE   LYS  64          2HE       LYS  64  -2.369  15.245  15.245
  454   2HE   LYS  64          1HE       LYS  64  -2.874  15.833  15.833
  455   1HZ   LYS  64          3HZ       LYS  64  -5.093  14.844  14.844
  456   2HZ   LYS  64          2HZ       LYS  64  -4.582  14.559  14.559
  457   3HZ   LYS  64          1HZ       LYS  64  -4.697  16.149  16.149
  458    H    CYS  65           H        CYS  65   2.099  10.427  10.427
  459    HA   CYS  65           HA       CYS  65   1.047   9.104   9.104
  460   1HB   CYS  65          2HB       CYS  65   3.536   8.448   8.448
  461   2HB   CYS  65          1HB       CYS  65   3.110  10.142  10.142
  462    H    ASN  66           H        ASN  66   0.604   8.308   8.308
  463    HA   ASN  66           HA       ASN  66   1.634   5.525   5.525
  464   1HB   ASN  66          2HB       ASN  66   1.258   7.541   7.541
  465   2HB   ASN  66          1HB       ASN  66   0.319   6.117   6.117
  466   1HD2  ASN  66          2HD2      ASN  66   4.214   5.143   5.143
  467   2HD2  ASN  66          1HD2      ASN  66   3.302   5.913   5.913
  468    HA   PRO  67           HA       PRO  67  -3.143   5.312   5.312
  469   1HB   PRO  67          2HB       PRO  67  -4.043   5.945   5.945
  470   2HB   PRO  67          1HB       PRO  67  -3.914   7.142   7.142
  471   1HG   PRO  67          2HG       PRO  67  -2.182   6.720   6.720
  472   2HG   PRO  67          1HG       PRO  67  -2.548   8.206   8.206
  473   1HD   PRO  67          2HD       PRO  67  -0.212   6.696   6.696
  474   2HD   PRO  67          1HD       PRO  67  -0.758   7.951   7.951
  475    H    HIS  68           H        HIS  68  -2.371   3.088   3.088
  476    HA   HIS  68           HA       HIS  68  -1.289   1.582   1.582
  477   1HB   HIS  68          2HB       HIS  68  -2.380  -0.326  -0.326
  478   2HB   HIS  68          1HB       HIS  68  -1.726   0.822   0.822
  479    HD1  HIS  68           HD1      HIS  68  -4.693  -1.043  -1.043
  480    HD2  HIS  68           HD2      HIS  68  -3.912   2.734   2.734
  481    HE1  HIS  68           HE1      HIS  68  -6.835  -0.287  -0.287
  482    HA   PRO  69           HA       PRO  69  -4.303   1.494   1.494
  483   1HB   PRO  69          2HB       PRO  69  -3.663  -0.867  -0.867
  484   2HB   PRO  69          1HB       PRO  69  -2.655   0.588   0.588
  485   1HG   PRO  69          2HG       PRO  69  -2.272  -1.848  -1.848
  486   2HG   PRO  69          1HG       PRO  69  -1.072  -0.790  -0.790
  487   1HD   PRO  69          2HD       PRO  69  -1.761  -0.773  -0.773
  488   2HD   PRO  69          1HD       PRO  69  -0.950   0.552   0.552
  489    H    LYS  70           H        LYS  70  -5.999   1.126   1.126
  490    HA   LYS  70           HA       LYS  70  -7.577  -1.219  -1.219
  491   1HB   LYS  70          2HB       LYS  70  -5.705  -1.248  -1.248
  492   2HB   LYS  70          1HB       LYS  70  -7.348  -1.513  -1.513
  493   1HG   LYS  70          2HG       LYS  70  -6.067  -3.018  -3.018
  494   2HG   LYS  70          1HG       LYS  70  -6.201  -3.631  -3.631
  495   1HD   LYS  70          2HD       LYS  70  -8.148  -4.527  -4.527
  496   2HD   LYS  70          1HD       LYS  70  -8.780  -2.915  -2.915
  497   1HE   LYS  70          2HE       LYS  70  -7.510  -2.985  -2.985
  498   2HE   LYS  70          1HE       LYS  70  -8.765  -4.234  -4.234
  499   1HZ   LYS  70          2HZ       LYS  70  -9.378  -1.659  -1.659
  500   2HZ   LYS  70          1HZ       LYS  70  -9.325  -1.682  -1.682
  501   3HZ   LYS  70          3HZ       LYS  70 -10.386  -2.715  -2.715
  502    H    GLN  71           H        GLN  71  -8.912   0.781   0.781
  503    HA   GLN  71           HA       GLN  71 -10.250   1.725   1.725
  504   1HB   GLN  71          2HB       GLN  71 -10.172   3.186   3.186
  505   2HB   GLN  71          1HB       GLN  71 -10.483   3.846   3.846
  506   1HG   GLN  71          2HG       GLN  71  -7.949   2.632   2.632
  507   2HG   GLN  71          1HG       GLN  71  -7.958   3.511   3.511
  508   1HE2  GLN  71          2HE2      GLN  71  -7.398   5.615   5.615
  509   2HE2  GLN  71          1HE2      GLN  71  -7.060   3.964   3.964
  510    H    ARG  72           H        ARG  72 -11.394  -0.476  -0.476
  511    HA   ARG  72           HA       ARG  72 -13.000  -1.144  -1.144
  512   1HB   ARG  72          2HB       ARG  72 -13.001  -1.455  -1.455
  513   2HB   ARG  72          1HB       ARG  72 -14.669  -1.228  -1.228
  514   1HG   ARG  72          2HG       ARG  72 -13.851  -2.937  -2.937
  515   2HG   ARG  72          1HG       ARG  72 -12.777  -3.443  -3.443
  516   1HD   ARG  72          2HD       ARG  72 -15.287  -3.127  -3.127
  517   2HD   ARG  72          1HD       ARG  72 -15.617  -3.956  -3.956
  518    HE   ARG  72           HE       ARG  72 -13.452  -4.908  -4.908
  519   1HH1  ARG  72          1HH2      ARG  72 -14.290  -5.998  -5.998
  520   2HH1  ARG  72          2HH2      ARG  72 -15.112  -7.444  -7.444
  521   1HH2  ARG  72          2HH1      ARG  72 -15.346  -6.515  -6.515
  522   2HH2  ARG  72          1HH1      ARG  72 -15.709  -7.737  -7.737
  523    HA   PRO  73           HA       PRO  73 -15.503   2.433   2.433
  524   1HB   PRO  73          2HB       PRO  73 -17.097   1.293   1.293
  525   2HB   PRO  73          1HB       PRO  73 -15.431   1.815   1.815
  526   1HG   PRO  73          2HG       PRO  73 -16.490  -0.916  -0.916
  527   2HG   PRO  73          1HG       PRO  73 -15.229  -0.391  -0.391
  528   1HD   PRO  73          2HD       PRO  73 -14.706  -1.560  -1.560
  529   2HD   PRO  73          1HD       PRO  73 -13.598  -0.425  -0.425
  530    H    GLY  74           HN       GLY  74 -17.778   3.044   3.044
  531   1HA   GLY  74          2HA       GLY  74 -20.096   1.997   1.997
  532   2HA   GLY  74          1HA       GLY  74 -19.251   1.082   1.082
  533   1H    MET   1          1H        MET  75 -12.148  -6.754  -6.754
  534   2H    MET   1          3H        MET  75 -13.771  -6.269  -6.269
  535   3H    MET   1          2H        MET  75 -12.714  -5.910  -5.910
  536    HA   MET   1           HA       MET  75 -13.011  -3.909  -3.909
  537   1HB   MET   1          2HB       MET  75 -13.528  -5.711  -5.711
  538   2HB   MET   1          1HB       MET  75 -11.934  -5.128  -5.128
  539   1HG   MET   1          2HG       MET  75 -13.154  -2.783  -2.783
  540   2HG   MET   1          1HG       MET  75 -14.523  -3.703  -3.703
  541   1HE   MET   1          2HE       MET  75 -14.117  -1.288  -1.288
  542   2HE   MET   1          1HE       MET  75 -15.081  -2.512  -2.512
  543   3HE   MET   1          3HE       MET  75 -13.846  -1.611  -1.611
  544    H    ARG   2           H        ARG  76 -11.197  -3.306  -3.306
  545    HA   ARG   2           HA       ARG  76  -8.716  -2.823  -2.823
  546   1HB   ARG   2          2HB       ARG  76  -9.147  -5.545  -5.545
  547   2HB   ARG   2          1HB       ARG  76  -7.903  -4.893  -4.893
  548   1HG   ARG   2          2HG       ARG  76  -6.381  -4.863  -4.863
  549   2HG   ARG   2          1HG       ARG  76  -7.488  -4.019  -4.019
  550   1HD   ARG   2          2HD       ARG  76  -8.481  -6.669  -6.669
  551   2HD   ARG   2          1HD       ARG  76  -6.733  -6.798  -6.798
  552    HE   ARG   2           HE       ARG  76  -8.538  -5.139  -5.139
  553   1HH1  ARG   2          2HH1      ARG  76  -5.321  -5.714  -5.714
  554   2HH1  ARG   2          1HH1      ARG  76  -5.024  -6.363  -6.363
  555   1HH2  ARG   2          1HH2      ARG  76  -8.384  -6.613  -6.613
  556   2HH2  ARG   2          2HH2      ARG  76  -6.759  -6.872  -6.872
  557    H    TYR   3           H        TYR  77  -6.962  -2.301  -2.301
  558    HA   TYR   3           HA       TYR  77  -8.078  -1.261  -1.261
  559   1HB   TYR   3          2HB       TYR  77  -5.261  -0.698  -0.698
  560   2HB   TYR   3          1HB       TYR  77  -6.540   0.439   0.439
  561    HD1  TYR   3           HD1      TYR  77  -7.999   1.382   1.382
  562    HD2  TYR   3           HD2      TYR  77  -4.800  -1.333  -1.333
  563    HE1  TYR   3           HE1      TYR  77  -8.174   1.986   1.986
  564    HE2  TYR   3           HE2      TYR  77  -4.978  -0.730  -0.730
  565    HH   TYR   3           HH       TYR  77  -7.314   0.391   0.391
  566    H    TYR   4           H        TYR  78  -8.010  -3.890  -3.890
  567    HA   TYR   4           HA       TYR  78  -5.533  -5.206  -5.206
  568   1HB   TYR   4          2HB       TYR  78  -8.424  -5.702  -5.702
  569   2HB   TYR   4          1HB       TYR  78  -7.475  -6.667  -6.667
  570    HD1  TYR   4           HD1      TYR  78  -6.253  -5.454  -5.454
  571    HD2  TYR   4           HD2      TYR  78  -7.763  -8.795  -8.795
  572    HE1  TYR   4           HE1      TYR  78  -5.633  -6.976  -6.976
  573    HE2  TYR   4           HE2      TYR  78  -7.141 -10.314 -10.314
  574    HH   TYR   4           HH       TYR  78  -6.718  -9.553  -9.553
  575    H    GLU   5           H        GLU  79  -5.528  -6.550  -6.550
  576    HA   GLU   5           HA       GLU  79  -5.009  -4.639  -4.639
  577   1HB   GLU   5          2HB       GLU  79  -4.055  -6.613  -6.613
  578   2HB   GLU   5          1HB       GLU  79  -3.524  -6.551  -6.551
  579   1HG   GLU   5          2HG       GLU  79  -4.316  -8.653  -8.653
  580   2HG   GLU   5          1HG       GLU  79  -5.935  -7.962  -7.962
  581    H    SER   6           H        SER  80  -7.821  -5.776  -5.776
  582    HA   SER   6           HA       SER  80  -8.930  -6.415  -6.415
  583   1HB   SER   6          2HB       SER  80  -9.603  -8.201  -8.201
  584   2HB   SER   6          1HB       SER  80  -9.382  -7.327  -7.327
  585    HG   SER   6           HG       SER  80 -11.614  -7.845  -7.845
  586    H    SER   7           H        SER  81  -8.687  -3.969  -3.969
  587    HA   SER   7           HA       SER  81 -10.197  -2.005  -2.005
  588   1HB   SER   7          2HB       SER  81 -12.257  -3.040  -3.040
  589   2HB   SER   7          1HB       SER  81 -11.793  -3.987  -3.987
  590    HG   SER   7           HG       SER  81 -12.980  -1.525  -1.525
  591    H    LEU   8           H        LEU  82 -11.145  -0.368  -0.368
  592    HA   LEU   8           HA       LEU  82  -9.308  -0.498  -0.498
  593   1HB   LEU   8          2HB       LEU  82  -9.212   2.107   2.107
  594   2HB   LEU   8          1HB       LEU  82  -8.151   1.021   1.021
  595    HG   LEU   8           HG       LEU  82 -10.061   0.965   0.965
  596   1HD1  LEU   8          2HD1      LEU  82 -10.736   3.481   3.481
  597   2HD1  LEU   8          1HD1      LEU  82 -11.405   3.049   3.049
  598   3HD1  LEU   8          3HD1      LEU  82 -11.762   2.056   2.056
  599   1HD2  LEU   8          3HD2      LEU  82  -8.436   3.477   3.477
  600   2HD2  LEU   8          2HD2      LEU  82  -7.863   2.035   2.035
  601   3HD2  LEU   8          1HD2      LEU  82  -9.146   3.017   3.017
  602    H    LYS   9           H        LYS  83 -12.337  -0.796  -0.796
  603    HA   LYS   9           HA       LYS  83 -13.457   1.332   1.332
  604   1HB   LYS   9          2HB       LYS  83 -14.318  -0.257  -0.257
  605   2HB   LYS   9          1HB       LYS  83 -15.341  -0.673  -0.673
  606   1HG   LYS   9          2HG       LYS  83 -16.181   1.479   1.479
  607   2HG   LYS   9          1HG       LYS  83 -14.765   2.217   2.217
  608   1HD   LYS   9          2HD       LYS  83 -15.512   1.796   1.796
  609   2HD   LYS   9          1HD       LYS  83 -16.441   0.378   0.378
  610   1HE   LYS   9          2HE       LYS  83 -17.295   3.039   3.039
  611   2HE   LYS   9          1HE       LYS  83 -17.686   2.655   2.655
  612   1HZ   LYS   9          3HZ       LYS  83 -18.341   0.373   0.373
  613   2HZ   LYS   9          2HZ       LYS  83 -18.474   1.231   1.231
  614   3HZ   LYS   9          1HZ       LYS  83 -19.428   1.669   1.669
  615    H    SER  10           H        SER  84 -13.038   0.829   0.829
  616    HA   SER  10           HA       SER  84 -12.540  -1.548  -1.548
  617   1HB   SER  10          2HB       SER  84 -13.280  -0.436  -0.436
  618   2HB   SER  10          1HB       SER  84 -12.852   0.874   0.874
  619    HG   SER  10           HG       SER  84 -14.846   1.412   1.412
  620    H    TYR  11           H        TYR  85 -13.659  -3.338  -3.338
  621    HA   TYR  11           HA       TYR  85 -16.569  -3.418  -3.418
  622   1HB   TYR  11          2HB       TYR  85 -14.362  -5.484  -5.484
  623   2HB   TYR  11          1HB       TYR  85 -16.053  -5.799  -5.799
  624    HD1  TYR  11           HD1      TYR  85 -17.149  -3.887  -3.887
  625    HD2  TYR  11           HD2      TYR  85 -12.971  -4.882  -4.882
  626    HE1  TYR  11           HE1      TYR  85 -16.825  -2.946  -2.946
  627    HE2  TYR  11           HE2      TYR  85 -12.647  -3.935  -3.935
  628    HH   TYR  11           HH       TYR  85 -14.409  -3.589  -3.589
  629    HA   PRO  12           HA       PRO  86 -17.284  -4.795  -4.795
  630   1HB   PRO  12          2HB       PRO  86 -19.766  -5.887  -5.887
  631   2HB   PRO  12          1HB       PRO  86 -19.478  -4.136  -4.136
  632   1HG   PRO  12          2HG       PRO  86 -19.903  -5.936  -5.936
  633   2HG   PRO  12          1HG       PRO  86 -20.448  -4.271  -4.271
  634   1HD   PRO  12          2HD       PRO  86 -18.305  -4.966  -4.966
  635   2HD   PRO  12          1HD       PRO  86 -18.500  -3.381  -3.381
  636    H    ASP  13           HN       ASP  87 -18.775  -7.099  -7.099
  637    HA   ASP  13           HA       ASP  87 -16.810  -9.195  -9.195
  638   1HB   ASP  13          2HB       ASP  87 -18.742  -8.567  -8.567
  639   2HB   ASP  13          1HB       ASP  87 -19.551  -9.852  -9.852

  Start of MODEL    4
    1   1H    ILE   1          2H        ILE   1   8.454  14.134  14.134
    2   2H    ILE   1          1H        ILE   1   8.805  15.327  15.327
    3   3H    ILE   1          3H        ILE   1   8.245  15.776  15.776
    4    HA   ILE   1           HA       ILE   1   6.379  15.991  15.991
    5    HB   ILE   1           HB       ILE   1   5.852  14.091  14.091
    6   1HG1  ILE   1          2HG1      ILE   1   8.512  13.044  13.044
    7   2HG1  ILE   1          1HG1      ILE   1   6.936  12.304  12.304
    8   1HG2  ILE   1          2HG2      ILE   1   7.921  16.014  16.014
    9   2HG2  ILE   1          1HG2      ILE   1   8.570  14.523  14.523
   10   3HG2  ILE   1          3HG2      ILE   1   7.083  15.215  15.215
   11   1HD1  ILE   1          2HD1      ILE   1   7.332  12.800  12.800
   12   2HD1  ILE   1          1HD1      ILE   1   8.656  11.832  11.832
   13   3HD1  ILE   1          3HD1      ILE   1   6.991  11.277  11.277
   14    H    VAL   2           H        VAL   2   4.343  14.247  14.247
   15    HA   VAL   2           HA       VAL   2   4.215  13.126  13.126
   16    HB   VAL   2           HB       VAL   2   1.929  13.938  13.938
   17   1HG1  VAL   2          2HG1      VAL   2   1.932  12.598  12.598
   18   2HG1  VAL   2          1HG1      VAL   2   1.818  14.263  14.263
   19   3HG1  VAL   2          3HG1      VAL   2   0.609  13.624  13.624
   20   1HG2  VAL   2          2HG2      VAL   2   3.553  15.629  15.629
   21   2HG2  VAL   2          1HG2      VAL   2   3.344  15.895  15.895
   22   3HG2  VAL   2          3HG2      VAL   2   1.979  16.109  16.109
   23    H    CYS   3           H        CYS   3   2.989  11.124  11.124
   24    HA   CYS   3           HA       CYS   3   2.602   9.568   9.568
   25   1HB   CYS   3          2HB       CYS   3   3.975   8.601   8.601
   26   2HB   CYS   3          1HB       CYS   3   3.879   7.785   7.785
   27    H    HIS   4           H        HIS   4   1.259   7.574   7.574
   28    HA   HIS   4           HA       HIS   4  -0.854   8.166   8.166
   29   1HB   HIS   4          2HB       HIS   4  -0.816   6.079   6.079
   30   2HB   HIS   4          1HB       HIS   4  -2.209   6.774   6.774
   31    HD1  HIS   4           HD1      HIS   4  -1.892   9.686   9.686
   32    HD2  HIS   4           HD2      HIS   4  -0.795   7.160   7.160
   33    HE1  HIS   4           HE1      HIS   4  -1.903  11.097  11.097
   34    H    THR   5           H        THR   5  -1.491   6.585   6.585
   35    HA   THR   5           HA       THR   5   0.434   4.300   4.300
   36    HB   THR   5           HB       THR   5   0.844   4.780   4.780
   37    HG1  THR   5           HG1      THR   5  -1.227   4.287   4.287
   38   1HG2  THR   5          2HG2      THR   5   1.121   6.981   6.981
   39   2HG2  THR   5          1HG2      THR   5  -0.422   7.467   7.467
   40   3HG2  THR   5          3HG2      THR   5   0.955   7.119   7.119
   41    H    THR   6           H        THR   6  -0.660   2.622   2.622
   42    HA   THR   6           HA       THR   6  -3.499   2.218   2.218
   43    HB   THR   6           HB       THR   6  -2.582  -0.041  -0.041
   44    HG1  THR   6           HG1      THR   6  -0.570   1.167   1.167
   45   1HG2  THR   6          2HG2      THR   6  -4.608   1.363   1.363
   46   2HG2  THR   6          1HG2      THR   6  -3.561   2.497   2.497
   47   3HG2  THR   6          3HG2      THR   6  -3.744   0.848   0.848
   48    H    ALA   7           H        ALA   7  -0.292   1.495   1.495
   49    HA   ALA   7           HA       ALA   7  -1.008  -0.949  -0.949
   50   1HB   ALA   7          3HB       ALA   7   1.378   0.460   0.460
   51   2HB   ALA   7          2HB       ALA   7   1.601  -0.357  -0.357
   52   3HB   ALA   7          1HB       ALA   7   1.076  -1.276  -1.276
   53    H    THR   8           H        THR   8  -0.291   2.429   2.429
   54    HA   THR   8           HA       THR   8  -0.285   1.769   1.769
   55    HB   THR   8           HB       THR   8   0.127   4.424   4.424
   56    HG1  THR   8           HG1      THR   8   1.025   5.001   5.001
   57   1HG2  THR   8          3HG2      THR   8   1.958   2.098   2.098
   58   2HG2  THR   8          2HG2      THR   8   2.614   3.731   3.731
   59   3HG2  THR   8          1HG2      THR   8   1.854   3.187   3.187
   60    H    SER   9           H        SER   9  -1.493   4.795   4.795
   61    HA   SER   9           HA       SER   9  -3.932   4.631   4.631
   62   1HB   SER   9          2HB       SER   9  -3.671   6.463   6.463
   63   2HB   SER   9          1HB       SER   9  -4.133   6.833   6.833
   64    HG   SER   9           HG       SER   9  -1.940   6.575   6.575
   65    HA   PRO  10           HA       PRO  10  -6.664   2.913   2.913
   66   1HB   PRO  10          2HB       PRO  10  -8.381   4.824   4.824
   67   2HB   PRO  10          1HB       PRO  10  -8.508   4.131   4.131
   68   1HG   PRO  10          2HG       PRO  10  -7.388   6.741   6.741
   69   2HG   PRO  10          1HG       PRO  10  -8.315   6.323   6.323
   70   1HD   PRO  10          2HD       PRO  10  -5.613   6.665   6.665
   71   2HD   PRO  10          1HD       PRO  10  -6.463   5.640   5.640
   72    H    ILE  11           H        ILE  11  -6.169   6.119   6.119
   73    HA   ILE  11           HA       ILE  11  -4.349   5.431   5.431
   74    HB   ILE  11           HB       ILE  11  -7.011   4.475   4.475
   75   1HG1  ILE  11          2HG1      ILE  11  -4.341   4.369   4.369
   76   2HG1  ILE  11          1HG1      ILE  11  -5.323   3.052   3.052
   77   1HG2  ILE  11          2HG2      ILE  11  -6.139   6.499   6.499
   78   2HG2  ILE  11          1HG2      ILE  11  -7.441   5.333   5.333
   79   3HG2  ILE  11          3HG2      ILE  11  -7.589   6.588   6.588
   80   1HD1  ILE  11          2HD1      ILE  11  -6.906   3.873   3.873
   81   2HD1  ILE  11          1HD1      ILE  11  -5.308   4.256   4.256
   82   3HD1  ILE  11          3HD1      ILE  11  -5.690   2.604   2.604
   83    H    SER  12           H        SER  12  -3.496   7.355   7.355
   84    HA   SER  12           HA       SER  12  -4.969   9.657   9.657
   85   1HB   SER  12          2HB       SER  12  -4.827  10.993  10.993
   86   2HB   SER  12          1HB       SER  12  -5.601   9.471   9.471
   87    HG   SER  12           HG       SER  12  -3.525  10.483  10.483
   88    H    ALA  13           H        ALA  13  -3.442  11.377  11.377
   89    HA   ALA  13           HA       ALA  13  -0.692  10.343  10.343
   90   1HB   ALA  13          1HB       ALA  13  -2.457  11.920  11.920
   91   2HB   ALA  13          3HB       ALA  13  -1.082  12.946  12.946
   92   3HB   ALA  13          2HB       ALA  13  -0.818  11.415  11.415
   93    H    VAL  14           H        VAL  14   0.417  10.718  10.718
   94    HA   VAL  14           HA       VAL  14   0.392  13.547  13.547
   95    HB   VAL  14           HB       VAL  14   0.600  12.740  12.740
   96   1HG1  VAL  14          1HG1      VAL  14  -1.526  11.990  11.990
   97   2HG1  VAL  14          3HG1      VAL  14  -0.852  10.371  10.371
   98   3HG1  VAL  14          2HG1      VAL  14  -1.232  11.340  11.340
   99   1HG2  VAL  14          1HG2      VAL  14   2.557  11.289  11.289
  100   2HG2  VAL  14          3HG2      VAL  14   1.389  10.487  10.487
  101   3HG2  VAL  14          2HG2      VAL  14   1.468  10.063  10.063
  102    H    THR  15           H        THR  15   2.340  14.520  14.520
  103    HA   THR  15           HA       THR  15   4.558  13.827  13.827
  104    HB   THR  15           HB       THR  15   4.664  15.168  15.168
  105    HG1  THR  15           HG1      THR  15   3.773  16.148  16.148
  106   1HG2  THR  15          3HG2      THR  15   6.440  14.912  14.912
  107   2HG2  THR  15          2HG2      THR  15   6.152  16.597  16.597
  108   3HG2  THR  15          1HG2      THR  15   6.800  15.473  15.473
  109    H    CYS  16           H        CYS  16   6.716  12.976  12.976
  110    HA   CYS  16           HA       CYS  16   6.365  10.702  10.702
  111   1HB   CYS  16          2HB       CYS  16   8.609  11.341  11.341
  112   2HB   CYS  16          1HB       CYS  16   8.242   9.783   9.783
  113    HA   PRO  17           HA       PRO  17   9.031  12.429  12.429
  114   1HB   PRO  17          2HB       PRO  17  10.508  10.251  10.251
  115   2HB   PRO  17          1HB       PRO  17   8.799  10.461  10.461
  116   1HG   PRO  17          2HG       PRO  17  10.024   8.798   8.798
  117   2HG   PRO  17          1HG       PRO  17   8.655   8.439   8.439
  118   1HD   PRO  17          2HD       PRO  17   8.368   9.228   9.228
  119   2HD   PRO  17          1HD       PRO  17   7.160   9.558   9.558
  120    HA   PRO  18           HA       PRO  18  13.006  13.407  13.407
  121   1HB   PRO  18          2HB       PRO  18  14.716  13.153  13.153
  122   2HB   PRO  18          1HB       PRO  18  13.551  14.484  14.484
  123   1HG   PRO  18          2HG       PRO  18  13.350  11.973  11.973
  124   2HG   PRO  18          1HG       PRO  18  12.884  13.626  13.626
  125   1HD   PRO  18          2HD       PRO  18  11.081  11.773  11.773
  126   2HD   PRO  18          1HD       PRO  18  10.881  13.504  13.504
  127    H    GLY  19           H        GLY  19  13.361  11.678  11.678
  128   1HA   GLY  19          2HA       GLY  19  15.602  10.123  10.123
  129   2HA   GLY  19          1HA       GLY  19  14.437   9.119   9.119
  130    H    GLU  20           H        GLU  20  12.172   9.132   9.132
  131    HA   GLU  20           HA       GLU  20  12.605   7.829   7.829
  132   1HB   GLU  20          2HB       GLU  20  10.171   8.945   8.945
  133   2HB   GLU  20          1HB       GLU  20  10.103   7.839   7.839
  134   1HG   GLU  20          2HG       GLU  20  11.401   6.172   6.172
  135   2HG   GLU  20          1HG       GLU  20  11.465   7.277   7.277
  136    H    ASN  21           H        ASN  21  13.325   9.063   9.063
  137    HA   ASN  21           HA       ASN  21  12.490  11.858  11.858
  138   1HB   ASN  21          2HB       ASN  21  14.055  10.030  10.030
  139   2HB   ASN  21          1HB       ASN  21  14.103  11.790  11.790
  140   1HD2  ASN  21          2HD2      ASN  21  15.564  11.099  11.099
  141   2HD2  ASN  21          1HD2      ASN  21  13.942  11.385  11.385
  142    H    LEU  22           H        LEU  22  11.270   8.790   8.790
  143    HA   LEU  22           HA       LEU  22   9.386  10.137  10.137
  144   1HB   LEU  22          2HB       LEU  22   9.926   8.632   8.632
  145   2HB   LEU  22          1HB       LEU  22  11.464   9.233   9.233
  146    HG   LEU  22           HG       LEU  22  10.826   6.963   6.963
  147   1HD1  LEU  22          3HD1      LEU  22   9.333   6.670   6.670
  148   2HD1  LEU  22          2HD1      LEU  22  10.862   6.063   6.063
  149   3HD1  LEU  22          1HD1      LEU  22  10.122   5.297   5.297
  150   1HD2  LEU  22          3HD2      LEU  22  12.911   7.989   7.989
  151   2HD2  LEU  22          2HD2      LEU  22  13.053   6.880   6.880
  152   3HD2  LEU  22          1HD2      LEU  22  12.719   6.254   6.254
  153    H    CYS  23           H        CYS  23   7.806   8.265   8.265
  154    HA   CYS  23           HA       CYS  23   6.817   6.890   6.890
  155   1HB   CYS  23          2HB       CYS  23   5.444   7.067   7.067
  156   2HB   CYS  23          1HB       CYS  23   4.724   7.004   7.004
  157    H    TYR  24           H        TYR  24   5.664   4.729   4.729
  158    HA   TYR  24           HA       TYR  24   7.008   3.275   3.275
  159   1HB   TYR  24          2HB       TYR  24   8.003   1.648   1.648
  160   2HB   TYR  24          1HB       TYR  24   8.461   3.222   3.222
  161    HD1  TYR  24           HD1      TYR  24   6.303   0.281   0.281
  162    HD2  TYR  24           HD2      TYR  24   7.512   4.053   4.053
  163    HE1  TYR  24           HE1      TYR  24   5.210  -0.297  -0.297
  164    HE2  TYR  24           HE2      TYR  24   6.425   3.493   3.493
  165    HH   TYR  24           HH       TYR  24   4.878   2.064   2.064
  166    H    ARG  25           H        ARG  25   5.955   1.288   1.288
  167    HA   ARG  25           HA       ARG  25   3.268   1.038   1.038
  168   1HB   ARG  25          2HB       ARG  25   3.858  -0.067  -0.067
  169   2HB   ARG  25          1HB       ARG  25   2.364   0.632   0.632
  170   1HG   ARG  25          2HG       ARG  25   3.453   2.885   2.885
  171   2HG   ARG  25          1HG       ARG  25   4.883   2.148   2.148
  172   1HD   ARG  25          2HD       ARG  25   3.336   3.176   3.176
  173   2HD   ARG  25          1HD       ARG  25   3.580   1.436   1.436
  174    HE   ARG  25           HE       ARG  25   1.189   2.589   2.589
  175   1HH1  ARG  25          1HH2      ARG  25   2.791  -0.263  -0.263
  176   2HH1  ARG  25          2HH2      ARG  25   1.403  -1.049  -1.049
  177   1HH2  ARG  25          2HH1      ARG  25  -0.609   1.769   1.769
  178   2HH2  ARG  25          1HH1      ARG  25  -0.521   0.101   0.101
  179    H    LYS  26           H        LYS  26   3.416  -0.771  -0.771
  180    HA   LYS  26           HA       LYS  26   5.102  -3.053  -3.053
  181   1HB   LYS  26          2HB       LYS  26   4.454  -1.773  -1.773
  182   2HB   LYS  26          1HB       LYS  26   4.127  -3.497  -3.497
  183   1HG   LYS  26          2HG       LYS  26   6.355  -4.056  -4.056
  184   2HG   LYS  26          1HG       LYS  26   6.715  -2.402  -2.402
  185   1HD   LYS  26          2HD       LYS  26   5.813  -2.315  -2.315
  186   2HD   LYS  26          1HD       LYS  26   7.037  -3.580  -3.580
  187   1HE   LYS  26          2HE       LYS  26   8.708  -2.087  -2.087
  188   2HE   LYS  26          1HE       LYS  26   7.538  -0.910  -0.910
  189   1HZ   LYS  26          2HZ       LYS  26   6.737  -0.580  -0.580
  190   2HZ   LYS  26          1HZ       LYS  26   7.939  -1.632  -1.632
  191   3HZ   LYS  26          3HZ       LYS  26   8.378  -0.165  -0.165
  192    H    MET  27           H        MET  27   4.210  -5.217  -5.217
  193    HA   MET  27           HA       MET  27   1.348  -5.537  -5.537
  194   1HB   MET  27          2HB       MET  27   2.455  -5.041  -5.041
  195   2HB   MET  27          1HB       MET  27   1.943  -6.727  -6.727
  196   1HG   MET  27          2HG       MET  27  -0.277  -5.984  -5.984
  197   2HG   MET  27          1HG       MET  27   0.242  -4.310  -4.310
  198   1HE   MET  27          1HE       MET  27   0.979  -3.262  -3.262
  199   2HE   MET  27          3HE       MET  27   0.423  -3.528  -3.528
  200   3HE   MET  27          2HE       MET  27  -0.725  -3.064  -3.064
  201    H    TRP  28           H        TRP  28   0.906  -7.614  -7.614
  202    HA   TRP  28           HA       TRP  28   3.034  -9.645  -9.645
  203   1HB   TRP  28          2HB       TRP  28   2.365 -10.037 -10.037
  204   2HB   TRP  28          1HB       TRP  28   3.739  -9.092  -9.092
  205    HD1  TRP  28           HD1      TRP  28   0.035  -8.614  -8.614
  206    HE1  TRP  28           HE1      TRP  28  -0.155  -6.302  -6.302
  207    HE3  TRP  28           HE3      TRP  28   4.714  -6.831  -6.831
  208    HZ2  TRP  28           HZ2      TRP  28   1.463  -4.006  -4.006
  209    HZ3  TRP  28           HZ3      TRP  28   5.381  -4.575  -4.575
  210    HH2  TRP  28           HH2      TRP  28   3.755  -3.156  -3.156
  211    H    CYS  29           H        CYS  29   0.575 -10.040 -10.040
  212    HA   CYS  29           HA       CYS  29  -1.545 -11.197 -11.197
  213   1HB   CYS  29          2HB       CYS  29   0.432 -12.721 -12.721
  214   2HB   CYS  29          1HB       CYS  29   0.420 -13.170 -13.170
  215    H    ASP  30           H        ASP  30  -2.946 -10.378 -10.378
  216    HA   ASP  30           HA       ASP  30  -2.445 -10.664 -10.664
  217   1HB   ASP  30          2HB       ASP  30  -4.331  -9.425  -9.425
  218   2HB   ASP  30          1HB       ASP  30  -5.153 -10.104 -10.104
  219    H    ALA  31           H        ALA  31  -4.453 -11.647 -11.647
  220    HA   ALA  31           HA       ALA  31  -4.431 -14.470 -14.470
  221   1HB   ALA  31          2HB       ALA  31  -6.382 -12.563 -12.563
  222   2HB   ALA  31          1HB       ALA  31  -6.371 -14.306 -14.306
  223   3HB   ALA  31          3HB       ALA  31  -4.982 -13.331 -13.331
  224    H    PHE  32           H        PHE  32  -6.183 -12.073 -12.073
  225    HA   PHE  32           HA       PHE  32  -8.035 -14.171 -14.171
  226   1HB   PHE  32          2HB       PHE  32  -8.317 -11.195 -11.195
  227   2HB   PHE  32          1HB       PHE  32  -9.455 -12.102 -12.102
  228    HD1  PHE  32           HD1      PHE  32 -10.255 -14.413 -14.413
  229    HD2  PHE  32           HD2      PHE  32  -8.853 -10.937 -10.937
  230    HE1  PHE  32           HE1      PHE  32 -11.444 -15.166 -15.166
  231    HE2  PHE  32           HE2      PHE  32 -10.041 -11.690 -11.690
  232    HZ   PHE  32           HZ       PHE  32 -11.337 -13.804 -13.804
  233    H    CYS  33           H        CYS  33  -5.344 -12.283 -12.283
  234    HA   CYS  33           HA       CYS  33  -5.642 -11.191 -11.191
  235   1HB   CYS  33          2HB       CYS  33  -3.451 -10.992 -10.992
  236   2HB   CYS  33          1HB       CYS  33  -3.548 -12.346 -12.346
  237    H    SER  34           H        SER  34  -5.330 -14.622 -14.622
  238    HA   SER  34           HA       SER  34  -5.275 -15.611 -15.611
  239   1HB   SER  34          2HB       SER  34  -5.940 -17.754 -17.754
  240   2HB   SER  34          1HB       SER  34  -4.457 -16.967 -16.967
  241    HG   SER  34           HG       SER  34  -5.642 -17.353 -17.353
  242    H    SER  35           H        SER  35  -7.138 -14.125 -14.125
  243    HA   SER  35           HA       SER  35  -9.546 -15.636 -15.636
  244   1HB   SER  35          2HB       SER  35 -10.992 -14.012 -14.012
  245   2HB   SER  35          1HB       SER  35  -9.961 -15.027 -15.027
  246    HG   SER  35           HG       SER  35 -10.066 -12.431 -12.431
  247    H    ARG  36           H        ARG  36  -8.006 -12.463 -12.463
  248    HA   ARG  36           HA       ARG  36  -9.042 -11.801 -11.801
  249   1HB   ARG  36          2HB       ARG  36  -8.754  -9.688  -9.688
  250   2HB   ARG  36          1HB       ARG  36  -9.864  -9.746  -9.746
  251   1HG   ARG  36          2HG       ARG  36 -11.120 -11.572 -11.572
  252   2HG   ARG  36          1HG       ARG  36 -10.042 -11.422 -11.422
  253   1HD   ARG  36          2HD       ARG  36 -11.387  -9.789  -9.789
  254   2HD   ARG  36          1HD       ARG  36 -10.967  -8.797  -8.797
  255    HE   ARG  36           HE       ARG  36 -13.090  -9.329  -9.329
  256   1HH1  ARG  36          2HH1      ARG  36 -12.340 -11.364 -11.364
  257   2HH1  ARG  36          1HH1      ARG  36 -13.608 -12.499 -12.499
  258   1HH2  ARG  36          1HH2      ARG  36 -14.591 -10.964 -10.964
  259   2HH2  ARG  36          2HH2      ARG  36 -14.882 -12.273 -12.273
  260    H    GLY  37           H        GLY  37  -6.370 -12.264 -12.264
  261   1HA   GLY  37          2HA       GLY  37  -4.192 -11.908 -11.908
  262   2HA   GLY  37          1HA       GLY  37  -4.745 -10.243 -10.243
  263    H    LYS  38           H        LYS  38  -2.779  -9.539  -9.539
  264    HA   LYS  38           HA       LYS  38  -2.700 -10.327 -10.327
  265   1HB   LYS  38          2HB       LYS  38  -0.981  -8.222  -8.222
  266   2HB   LYS  38          1HB       LYS  38  -0.568  -9.364  -9.364
  267   1HG   LYS  38          2HG       LYS  38  -0.957  -9.973  -9.973
  268   2HG   LYS  38          1HG       LYS  38   0.545 -10.076 -10.076
  269   1HD   LYS  38          2HD       LYS  38  -0.943 -11.712 -11.712
  270   2HD   LYS  38          1HD       LYS  38  -1.792 -11.928 -11.928
  271   1HE   LYS  38          2HE       LYS  38   0.917 -12.034 -12.034
  272   2HE   LYS  38          1HE       LYS  38   0.809 -12.965 -12.965
  273   1HZ   LYS  38          2HZ       LYS  38  -1.205 -14.043 -14.043
  274   2HZ   LYS  38          1HZ       LYS  38  -0.854 -13.297 -13.297
  275   3HZ   LYS  38          3HZ       LYS  38   0.231 -14.421 -14.421
  276    H    VAL  39           H        VAL  39  -1.768  -7.773  -7.773
  277    HA   VAL  39           HA       VAL  39  -4.347  -6.264  -6.264
  278    HB   VAL  39           HB       VAL  39  -2.027  -5.686  -5.686
  279   1HG1  VAL  39          1HG1      VAL  39  -4.395  -4.532  -4.532
  280   2HG1  VAL  39          3HG1      VAL  39  -4.898  -5.923  -5.923
  281   3HG1  VAL  39          2HG1      VAL  39  -3.650  -4.836  -4.836
  282   1HG2  VAL  39          1HG2      VAL  39  -2.298  -8.181  -8.181
  283   2HG2  VAL  39          3HG2      VAL  39  -2.659  -7.458  -7.458
  284   3HG2  VAL  39          2HG2      VAL  39  -3.974  -7.958  -7.958
  285    H    VAL  40           H        VAL  40  -2.735  -3.938  -3.938
  286    HA   VAL  40           HA       VAL  40  -0.898  -3.171  -3.171
  287    HB   VAL  40           HB       VAL  40  -3.679  -1.966  -1.966
  288   1HG1  VAL  40          1HG1      VAL  40  -1.201  -0.706  -0.706
  289   2HG1  VAL  40          3HG1      VAL  40  -2.020  -0.882  -0.882
  290   3HG1  VAL  40          2HG1      VAL  40  -2.815  -0.030  -0.030
  291   1HG2  VAL  40          2HG2      VAL  40  -2.139  -3.520  -3.520
  292   2HG2  VAL  40          1HG2      VAL  40  -3.770  -3.816  -3.816
  293   3HG2  VAL  40          3HG2      VAL  40  -3.461  -2.448  -2.448
  294    H    GLU  41           H        GLU  41   0.524  -2.496  -2.496
  295    HA   GLU  41           HA       GLU  41  -0.462  -0.576  -0.576
  296   1HB   GLU  41          2HB       GLU  41   1.823  -2.460  -2.460
  297   2HB   GLU  41          1HB       GLU  41   0.687  -1.812  -1.812
  298   1HG   GLU  41          2HG       GLU  41  -0.095  -4.007  -4.007
  299   2HG   GLU  41          1HG       GLU  41  -1.076  -3.176  -3.176
  300    H    LEU  42           H        LEU  42   0.277   1.068   1.068
  301    HA   LEU  42           HA       LEU  42   3.149   1.288   1.288
  302   1HB   LEU  42          2HB       LEU  42   1.261   3.580   3.580
  303   2HB   LEU  42          1HB       LEU  42   2.490   2.972   2.972
  304    HG   LEU  42           HG       LEU  42   0.666   0.879   0.879
  305   1HD1  LEU  42          1HD1      LEU  42  -0.695   3.557   3.557
  306   2HD1  LEU  42          3HD1      LEU  42  -1.461   2.238   2.238
  307   3HD1  LEU  42          2HD1      LEU  42  -1.083   2.048   2.048
  308   1HD2  LEU  42          1HD2      LEU  42   1.883   2.433   2.433
  309   2HD2  LEU  42          3HD2      LEU  42   0.661   1.216   1.216
  310   3HD2  LEU  42          2HD2      LEU  42   0.199   2.910   2.910
  311    H    GLY  43           H        GLY  43   3.752   3.913   3.913
  312   1HA   GLY  43          2HA       GLY  43   2.969   5.329   5.329
  313   2HA   GLY  43          1HA       GLY  43   3.946   4.047   4.047
  314    H    CYS  44           H        CYS  44   5.779   5.209   5.209
  315    HA   CYS  44           HA       CYS  44   7.159   6.809   6.809
  316   1HB   CYS  44          2HB       CYS  44   7.202   6.958   6.958
  317   2HB   CYS  44          1HB       CYS  44   8.157   7.973   7.973
  318    H    ALA  45           H        ALA  45   9.560   6.774   6.774
  319    HA   ALA  45           HA       ALA  45  10.893   4.737   4.737
  320   1HB   ALA  45          1HB       ALA  45   9.504   3.761   3.761
  321   2HB   ALA  45          3HB       ALA  45  11.045   4.117   4.117
  322   3HB   ALA  45          2HB       ALA  45  10.987   3.016   3.016
  323    H    ALA  46           H        ALA  46  13.188   4.892   4.892
  324    HA   ALA  46           HA       ALA  46  14.209   7.435   7.435
  325   1HB   ALA  46          1HB       ALA  46  15.160   4.886   4.886
  326   2HB   ALA  46          3HB       ALA  46  16.376   5.760   5.760
  327   3HB   ALA  46          2HB       ALA  46  15.585   6.541   6.541
  328    H    THR  47           H        THR  47  13.995   4.267   4.267
  329    HA   THR  47           HA       THR  47  14.426   5.389   5.389
  330    HB   THR  47           HB       THR  47  16.721   5.393   5.393
  331    HG1  THR  47           HG1      THR  47  16.357   4.965   4.965
  332   1HG2  THR  47          2HG2      THR  47  16.198   2.418   2.418
  333   2HG2  THR  47          1HG2      THR  47  17.786   3.163   3.163
  334   3HG2  THR  47          3HG2      THR  47  16.497   3.539   3.539
  335    H    CYS  48           H        CYS  48  13.879   3.834   3.834
  336    HA   CYS  48           HA       CYS  48  12.031   1.852   1.852
  337   1HB   CYS  48          2HB       CYS  48  14.344   1.748   1.748
  338   2HB   CYS  48          1HB       CYS  48  12.803   0.910   0.910
  339    HA   PRO  49           HA       PRO  49  14.766  -0.894  -0.894
  340   1HB   PRO  49          2HB       PRO  49  12.816  -1.835  -1.835
  341   2HB   PRO  49          1HB       PRO  49  13.657  -0.299  -0.299
  342   1HG   PRO  49          2HG       PRO  49  10.928  -0.799  -0.799
  343   2HG   PRO  49          1HG       PRO  49  11.574   0.589   0.589
  344   1HD   PRO  49          2HD       PRO  49  11.063   0.446   0.446
  345   2HD   PRO  49          1HD       PRO  49  11.961   1.721   1.721
  346    H    SER  50           H        SER  50  14.899  -3.226  -3.226
  347    HA   SER  50           HA       SER  50  12.732  -4.877  -4.877
  348   1HB   SER  50          2HB       SER  50  13.124  -4.670  -4.670
  349   2HB   SER  50          1HB       SER  50  14.343  -3.449  -3.449
  350    HG   SER  50           HG       SER  50  14.613  -6.077  -6.077
  351    H    LYS  51           H        LYS  51  13.077  -6.764  -6.764
  352    HA   LYS  51           HA       LYS  51  15.591  -8.207  -8.207
  353   1HB   LYS  51          2HB       LYS  51  15.092  -6.296  -6.296
  354   2HB   LYS  51          1HB       LYS  51  15.350  -7.919  -7.919
  355   1HG   LYS  51          2HG       LYS  51  17.190  -6.952  -6.952
  356   2HG   LYS  51          1HG       LYS  51  17.405  -6.305  -6.305
  357   1HD   LYS  51          2HD       LYS  51  18.512  -8.186  -8.186
  358   2HD   LYS  51          1HD       LYS  51  17.014  -9.088  -9.088
  359   1HE   LYS  51          2HE       LYS  51  18.678 -10.092 -10.092
  360   2HE   LYS  51          1HE       LYS  51  17.598  -9.151  -9.151
  361   1HZ   LYS  51          3HZ       LYS  51  20.000  -7.945  -7.945
  362   2HZ   LYS  51          2HZ       LYS  51  20.087  -8.752  -8.752
  363   3HZ   LYS  51          1HZ       LYS  51  19.099  -7.381  -7.381
  364    H    LYS  52           H        LYS  52  13.220  -9.188  -9.188
  365    HA   LYS  52           HA       LYS  52  12.733 -11.406 -11.406
  366   1HB   LYS  52          2HB       LYS  52  11.152  -8.931  -8.931
  367   2HB   LYS  52          1HB       LYS  52  10.163 -10.376 -10.376
  368   1HG   LYS  52          2HG       LYS  52  10.443 -10.873 -10.873
  369   2HG   LYS  52          1HG       LYS  52  12.180 -11.015 -11.015
  370   1HD   LYS  52          2HD       LYS  52  12.169  -8.408  -8.408
  371   2HD   LYS  52          1HD       LYS  52  10.608  -8.626  -8.626
  372   1HE   LYS  52          2HE       LYS  52  13.114 -10.086 -10.086
  373   2HE   LYS  52          1HE       LYS  52  12.582  -8.547  -8.547
  374   1HZ   LYS  52          1HZ       LYS  52  10.310  -9.729  -9.729
  375   2HZ   LYS  52          3HZ       LYS  52  11.214 -11.159 -11.159
  376   3HZ   LYS  52          2HZ       LYS  52  11.490 -10.090 -10.090
  377    HA   PRO  53           HA       PRO  53  11.844 -12.383 -12.383
  378   1HB   PRO  53          2HB       PRO  53  12.176 -15.082 -15.082
  379   2HB   PRO  53          1HB       PRO  53  13.515 -13.945 -13.945
  380   1HG   PRO  53          2HG       PRO  53  12.501 -15.107 -15.107
  381   2HG   PRO  53          1HG       PRO  53  14.171 -14.888 -14.888
  382   1HD   PRO  53          2HD       PRO  53  13.035 -13.187 -13.187
  383   2HD   PRO  53          1HD       PRO  53  14.193 -12.635 -12.635
  384    H    TYR  54           H        TYR  54  10.051 -12.831 -12.831
  385    HA   TYR  54           HA       TYR  54   7.862 -14.203 -14.203
  386   1HB   TYR  54          2HB       TYR  54   7.186 -14.541 -14.541
  387   2HB   TYR  54          1HB       TYR  54   8.125 -15.710 -15.710
  388    HD1  TYR  54           HD1      TYR  54  10.697 -15.371 -15.371
  389    HD2  TYR  54           HD2      TYR  54   8.091 -13.588 -13.588
  390    HE1  TYR  54           HE1      TYR  54  12.623 -15.035 -15.035
  391    HE2  TYR  54           HE2      TYR  54  10.018 -13.259 -13.259
  392    HH   TYR  54           HH       TYR  54  12.604 -14.732 -14.732
  393    H    GLU  55           H        GLU  55   8.850 -11.256 -11.256
  394    HA   GLU  55           HA       GLU  55   6.059 -10.354 -10.354
  395   1HB   GLU  55          2HB       GLU  55   8.797  -9.243  -9.243
  396   2HB   GLU  55          1HB       GLU  55   7.278  -8.449  -8.449
  397   1HG   GLU  55          2HG       GLU  55   6.693 -10.816 -10.816
  398   2HG   GLU  55          1HG       GLU  55   8.449 -10.974 -10.974
  399    H    GLU  56           H        GLU  56   6.535  -7.599  -7.599
  400    HA   GLU  56           HA       GLU  56   7.705  -7.149  -7.149
  401   1HB   GLU  56          2HB       GLU  56   5.210  -8.402  -8.402
  402   2HB   GLU  56          1HB       GLU  56   4.829  -6.713  -6.713
  403   1HG   GLU  56          2HG       GLU  56   7.091  -7.929  -7.929
  404   2HG   GLU  56          1HG       GLU  56   5.460  -8.442  -8.442
  405    H    VAL  57           H        VAL  57   8.286  -5.014  -5.014
  406    HA   VAL  57           HA       VAL  57   6.423  -3.085  -3.085
  407    HB   VAL  57           HB       VAL  57   8.040  -3.501  -3.501
  408   1HG1  VAL  57          1HG1      VAL  57   9.539  -4.864  -4.864
  409   2HG1  VAL  57          3HG1      VAL  57  10.133  -3.404  -3.404
  410   3HG1  VAL  57          2HG1      VAL  57  10.453  -3.670  -3.670
  411   1HG2  VAL  57          1HG2      VAL  57   7.781  -1.081  -1.081
  412   2HG2  VAL  57          3HG2      VAL  57   9.377  -1.455  -1.455
  413   3HG2  VAL  57          2HG2      VAL  57   9.167  -1.200  -1.200
  414    H    THR  58           H        THR  58   6.870  -0.808  -0.808
  415    HA   THR  58           HA       THR  58   8.404  -0.590  -0.590
  416    HB   THR  58           HB       THR  58   5.728   0.703   0.703
  417    HG1  THR  58           HG1      THR  58   4.724  -1.274  -1.274
  418   1HG2  THR  58          1HG2      THR  58   7.608  -0.452  -0.452
  419   2HG2  THR  58          3HG2      THR  58   5.895  -0.640  -0.640
  420   3HG2  THR  58          2HG2      THR  58   6.573   0.970   0.970
  421    H    CYS  59           H        CYS  59   7.648   2.030   2.030
  422    HA   CYS  59           HA       CYS  59   8.251   3.582   3.582
  423   1HB   CYS  59          2HB       CYS  59   9.816   3.234   3.234
  424   2HB   CYS  59          1HB       CYS  59   9.634   4.903   4.903
  425    H    CYS  60           H        CYS  60   8.271   5.993   5.993
  426    HA   CYS  60           HA       CYS  60   6.522   6.778   6.778
  427   1HB   CYS  60          2HB       CYS  60   4.601   6.295   6.295
  428   2HB   CYS  60          1HB       CYS  60   5.466   6.095   6.095
  429    H    SER  61           H        SER  61   7.205   8.828   8.828
  430    HA   SER  61           HA       SER  61   8.566  10.441  10.441
  431   1HB   SER  61          2HB       SER  61  10.201  10.987  10.987
  432   2HB   SER  61          1HB       SER  61   9.828   9.311   9.311
  433    HG   SER  61           HG       SER  61   9.772  10.562  10.562
  434    H    THR  62           H        THR  62   6.198  10.486  10.486
  435    HA   THR  62           HA       THR  62   6.047  13.372  13.372
  436    HB   THR  62           HB       THR  62   3.737  11.548  11.548
  437    HG1  THR  62           HG1      THR  62   4.825  10.349  10.349
  438   1HG2  THR  62          3HG2      THR  62   4.800  14.077  14.077
  439   2HG2  THR  62          2HG2      THR  62   4.584  12.968  12.968
  440   3HG2  THR  62          1HG2      THR  62   3.219  13.359  13.359
  441    H    ASP  63           H        ASP  63   3.636  14.299  14.299
  442    HA   ASP  63           HA       ASP  63   3.316  14.440  14.440
  443   1HB   ASP  63          2HB       ASP  63   1.732  15.289  15.289
  444   2HB   ASP  63          1HB       ASP  63   1.121  15.584  15.584
  445    H    LYS  64           H        LYS  64   2.337  12.902  12.902
  446    HA   LYS  64           HA       LYS  64   1.070  10.968  10.968
  447   1HB   LYS  64          2HB       LYS  64  -0.862  12.397  12.397
  448   2HB   LYS  64          1HB       LYS  64  -1.278  11.345  11.345
  449   1HG   LYS  64          2HG       LYS  64   0.075  13.016  13.016
  450   2HG   LYS  64          1HG       LYS  64  -0.079  14.110  14.110
  451   1HD   LYS  64          2HD       LYS  64  -2.648  12.999  12.999
  452   2HD   LYS  64          1HD       LYS  64  -2.040  13.464  13.464
  453   1HE   LYS  64          2HE       LYS  64  -2.622  15.597  15.597
  454   2HE   LYS  64          1HE       LYS  64  -1.320  15.583  15.583
  455   1HZ   LYS  64          1HZ       LYS  64  -4.059  14.522  14.522
  456   2HZ   LYS  64          3HZ       LYS  64  -3.514  16.034  16.034
  457   3HZ   LYS  64          2HZ       LYS  64  -2.809  14.612  14.612
  458    H    CYS  65           H        CYS  65   2.811  10.112  10.112
  459    HA   CYS  65           HA       CYS  65   1.336   8.993   8.993
  460   1HB   CYS  65          2HB       CYS  65   3.776   8.027   8.027
  461   2HB   CYS  65          1HB       CYS  65   3.367   9.686   9.686
  462    H    ASN  66           H        ASN  66   0.767   8.098   8.098
  463    HA   ASN  66           HA       ASN  66   1.648   5.239   5.239
  464   1HB   ASN  66          2HB       ASN  66   1.391   7.247   7.247
  465   2HB   ASN  66          1HB       ASN  66   0.452   5.811   5.811
  466   1HD2  ASN  66          2HD2      ASN  66   4.326   4.858   4.858
  467   2HD2  ASN  66          1HD2      ASN  66   3.391   5.688   5.688
  468    HA   PRO  67           HA       PRO  67  -3.131   5.716   5.716
  469   1HB   PRO  67          2HB       PRO  67  -3.714   5.982   5.982
  470   2HB   PRO  67          1HB       PRO  67  -3.449   7.373   7.373
  471   1HG   PRO  67          2HG       PRO  67  -1.634   6.153   6.153
  472   2HG   PRO  67          1HG       PRO  67  -1.830   7.848   7.848
  473   1HD   PRO  67          2HD       PRO  67   0.223   6.209   6.209
  474   2HD   PRO  67          1HD       PRO  67  -0.315   7.687   7.687
  475    H    HIS  68           H        HIS  68  -3.160   3.461   3.461
  476    HA   HIS  68           HA       HIS  68  -2.528   1.492   1.492
  477   1HB   HIS  68          2HB       HIS  68  -2.971  -0.080  -0.080
  478   2HB   HIS  68          1HB       HIS  68  -2.062   1.260   1.260
  479    HD1  HIS  68           HD1      HIS  68  -5.467  -0.313  -0.313
  480    HD2  HIS  68           HD2      HIS  68  -3.528   2.929   2.929
  481    HE1  HIS  68           HE1      HIS  68  -7.013   0.549   0.549
  482    HA   PRO  69           HA       PRO  69  -6.654   1.020   1.020
  483   1HB   PRO  69          2HB       PRO  69  -7.356  -1.610  -1.610
  484   2HB   PRO  69          1HB       PRO  69  -6.246  -1.092  -1.092
  485   1HG   PRO  69          2HG       PRO  69  -5.613  -2.181  -2.181
  486   2HG   PRO  69          1HG       PRO  69  -4.892  -2.584  -2.584
  487   1HD   PRO  69          2HD       PRO  69  -3.654  -0.940  -0.940
  488   2HD   PRO  69          1HD       PRO  69  -3.602  -0.647  -0.647
  489    H    LYS  70           H        LYS  70  -7.486   2.420   2.420
  490    HA   LYS  70           HA       LYS  70  -8.443   1.350   1.350
  491   1HB   LYS  70          2HB       LYS  70  -8.755   4.011   4.011
  492   2HB   LYS  70          1HB       LYS  70  -9.173   3.721   3.721
  493   1HG   LYS  70          2HG       LYS  70  -7.023   3.963   3.963
  494   2HG   LYS  70          1HG       LYS  70  -6.488   2.783   2.783
  495   1HD   LYS  70          2HD       LYS  70  -5.493   5.046   5.046
  496   2HD   LYS  70          1HD       LYS  70  -6.452   4.494   4.494
  497   1HE   LYS  70          2HE       LYS  70  -8.143   5.891   5.891
  498   2HE   LYS  70          1HE       LYS  70  -6.786   6.917   6.917
  499   1HZ   LYS  70          1HZ       LYS  70  -7.358   5.836   5.836
  500   2HZ   LYS  70          3HZ       LYS  70  -8.900   5.696   5.696
  501   3HZ   LYS  70          2HZ       LYS  70  -8.171   7.224   7.224
  502    H    GLN  71           H        GLN  71 -10.412   3.493   3.493
  503    HA   GLN  71           HA       GLN  71 -12.732   1.705   1.705
  504   1HB   GLN  71          2HB       GLN  71 -12.266   4.550   4.550
  505   2HB   GLN  71          1HB       GLN  71 -13.859   3.807   3.807
  506   1HG   GLN  71          2HG       GLN  71 -14.168   4.358   4.358
  507   2HG   GLN  71          1HG       GLN  71 -12.920   3.181   3.181
  508   1HE2  GLN  71          2HE2      GLN  71 -10.548   5.638   5.638
  509   2HE2  GLN  71          1HE2      GLN  71 -10.939   3.990   3.990
  510    H    ARG  72           H        ARG  72 -11.425   0.237   0.237
  511    HA   ARG  72           HA       ARG  72 -12.385   0.964   0.964
  512   1HB   ARG  72          2HB       ARG  72  -9.831  -0.133  -0.133
  513   2HB   ARG  72          1HB       ARG  72 -10.348  -0.712  -0.712
  514   1HG   ARG  72          2HG       ARG  72 -10.463   1.559   1.559
  515   2HG   ARG  72          1HG       ARG  72 -10.123   2.217   2.217
  516   1HD   ARG  72          2HD       ARG  72  -7.971   0.612   0.612
  517   2HD   ARG  72          1HD       ARG  72  -8.258   0.965   0.965
  518    HE   ARG  72           HE       ARG  72  -7.250   2.856   2.856
  519   1HH1  ARG  72          2HH1      ARG  72  -8.861   2.433   2.433
  520   2HH1  ARG  72          1HH1      ARG  72  -9.155   4.121   4.121
  521   1HH2  ARG  72          1HH2      ARG  72  -7.932   5.079   5.079
  522   2HH2  ARG  72          2HH2      ARG  72  -8.629   5.618   5.618
  523    HA   PRO  73           HA       PRO  73 -14.713  -2.774  -2.774
  524   1HB   PRO  73          2HB       PRO  73 -15.531  -2.980  -2.980
  525   2HB   PRO  73          1HB       PRO  73 -16.232  -1.818  -1.818
  526   1HG   PRO  73          2HG       PRO  73 -14.220  -1.382  -1.382
  527   2HG   PRO  73          1HG       PRO  73 -15.541  -0.335  -0.335
  528   1HD   PRO  73          2HD       PRO  73 -12.915   0.031   0.031
  529   2HD   PRO  73          1HD       PRO  73 -14.289   0.597   0.597
  530    H    GLY  74           HN       GLY  74 -14.596  -5.023  -5.023
  531   1HA   GLY  74          2HA       GLY  74 -12.613  -5.802  -5.802
  532   2HA   GLY  74          1HA       GLY  74 -12.061  -6.105  -6.105
  533   1H    MET   1          3H        MET  75 -12.443  -5.403  -5.403
  534   2H    MET   1          2H        MET  75 -12.298  -6.482  -6.482
  535   3H    MET   1          1H        MET  75 -13.733  -5.601  -5.601
  536    HA   MET   1           HA       MET  75 -12.700  -3.560  -3.560
  537   1HB   MET   1          2HB       MET  75 -13.335  -5.426  -5.426
  538   2HB   MET   1          1HB       MET  75 -11.595  -5.649  -5.649
  539   1HG   MET   1          2HG       MET  75 -11.373  -3.746  -3.746
  540   2HG   MET   1          1HG       MET  75 -12.408  -2.833  -2.833
  541   1HE   MET   1          3HE       MET  75 -11.660  -3.593  -3.593
  542   2HE   MET   1          2HE       MET  75 -13.092  -3.336  -3.336
  543   3HE   MET   1          1HE       MET  75 -12.612  -4.975  -4.975
  544    H    ARG   2           H        ARG  76 -11.014  -3.720  -3.720
  545    HA   ARG   2           HA       ARG  76  -8.354  -3.248  -3.248
  546   1HB   ARG   2          2HB       ARG  76  -9.151  -5.728  -5.728
  547   2HB   ARG   2          1HB       ARG  76  -7.686  -4.992  -4.992
  548   1HG   ARG   2          2HG       ARG  76  -7.982  -5.266  -5.266
  549   2HG   ARG   2          1HG       ARG  76  -7.507  -6.670  -6.670
  550   1HD   ARG   2          2HD       ARG  76  -5.405  -5.860  -5.860
  551   2HD   ARG   2          1HD       ARG  76  -6.019  -4.269  -4.269
  552    HE   ARG   2           HE       ARG  76  -6.361  -3.797  -3.797
  553   1HH1  ARG   2          2HH1      ARG  76  -6.039  -6.033  -6.033
  554   2HH1  ARG   2          1HH1      ARG  76  -4.343  -6.188  -6.188
  555   1HH2  ARG   2          1HH2      ARG  76  -3.399  -4.120  -4.120
  556   2HH2  ARG   2          2HH2      ARG  76  -2.849  -5.105  -5.105
  557    H    TYR   3           H        TYR  77  -6.890  -2.299  -2.299
  558    HA   TYR   3           HA       TYR  77  -8.287  -1.083  -1.083
  559   1HB   TYR   3          2HB       TYR  77  -5.456  -0.403  -0.403
  560   2HB   TYR   3          1HB       TYR  77  -6.829   0.678   0.678
  561    HD1  TYR   3           HD1      TYR  77  -4.879  -1.336  -1.336
  562    HD2  TYR   3           HD2      TYR  77  -8.010   1.559   1.559
  563    HE1  TYR   3           HE1      TYR  77  -4.822  -0.852  -0.852
  564    HE2  TYR   3           HE2      TYR  77  -7.963   2.039   2.039
  565    HH   TYR   3           HH       TYR  77  -5.894   0.172   0.172
  566    H    TYR   4           H        TYR  78  -8.209  -3.520  -3.520
  567    HA   TYR   4           HA       TYR  78  -5.773  -4.851  -4.851
  568   1HB   TYR   4          2HB       TYR  78  -8.644  -5.151  -5.151
  569   2HB   TYR   4          1HB       TYR  78  -7.739  -5.829  -5.829
  570    HD1  TYR   4           HD1      TYR  78  -6.343  -5.611  -5.611
  571    HD2  TYR   4           HD2      TYR  78  -8.276  -8.133  -8.133
  572    HE1  TYR   4           HE1      TYR  78  -5.793  -7.604  -7.604
  573    HE2  TYR   4           HE2      TYR  78  -7.730 -10.126 -10.126
  574    HH   TYR   4           HH       TYR  78  -6.456  -9.843  -9.843
  575    H    GLU   5           H        GLU  79  -5.781  -5.763  -5.763
  576    HA   GLU   5           HA       GLU  79  -4.822  -3.516  -3.516
  577   1HB   GLU   5          2HB       GLU  79  -3.980  -5.296  -5.296
  578   2HB   GLU   5          1HB       GLU  79  -3.697  -5.746  -5.746
  579   1HG   GLU   5          2HG       GLU  79  -5.039  -7.554  -7.554
  580   2HG   GLU   5          1HG       GLU  79  -6.323  -6.615  -6.615
  581    H    SER   6           H        SER  80  -7.859  -4.085  -4.085
  582    HA   SER   6           HA       SER  80  -8.700  -3.440  -3.440
  583   1HB   SER   6          2HB       SER  80  -8.777  -6.122  -6.122
  584   2HB   SER   6          1HB       SER  80 -10.382  -5.580  -5.580
  585    HG   SER   6           HG       SER  80  -8.749  -6.589  -6.589
  586    H    SER   7           H        SER  81  -8.951  -2.653  -2.653
  587    HA   SER   7           HA       SER  81 -11.298  -1.132  -1.132
  588   1HB   SER   7          2HB       SER  81 -11.739  -4.010  -4.010
  589   2HB   SER   7          1HB       SER  81 -12.511  -3.078  -3.078
  590    HG   SER   7           HG       SER  81 -13.138  -1.693  -1.693
  591    H    LEU   8           H        LEU  82 -11.450   0.090   0.090
  592    HA   LEU   8           HA       LEU  82 -10.137  -0.993  -0.993
  593   1HB   LEU   8          2HB       LEU  82  -9.095   1.268   1.268
  594   2HB   LEU   8          1HB       LEU  82  -8.504   0.391   0.391
  595    HG   LEU   8           HG       LEU  82 -10.259   1.636   1.636
  596   1HD1  LEU   8          2HD1      LEU  82 -10.543   2.946   2.946
  597   2HD1  LEU   8          1HD1      LEU  82 -10.749   3.925   3.925
  598   3HD1  LEU   8          3HD1      LEU  82 -11.792   2.530   2.530
  599   1HD2  LEU   8          2HD2      LEU  82  -7.889   2.875   2.875
  600   2HD2  LEU   8          1HD2      LEU  82  -8.072   2.382   2.382
  601   3HD2  LEU   8          3HD2      LEU  82  -8.860   3.850   3.850
  602    H    LYS   9           H        LYS  83 -12.987  -0.243  -0.243
  603    HA   LYS   9           HA       LYS  83 -13.820   1.823   1.823
  604   1HB   LYS   9          2HB       LYS  83 -15.439   0.051   0.051
  605   2HB   LYS   9          1HB       LYS  83 -15.966   1.565   1.565
  606   1HG   LYS   9          2HG       LYS  83 -14.743   2.857   2.857
  607   2HG   LYS   9          1HG       LYS  83 -13.459   1.657   1.657
  608   1HD   LYS   9          2HD       LYS  83 -14.364   1.118   1.118
  609   2HD   LYS   9          1HD       LYS  83 -15.690   0.389   0.389
  610   1HE   LYS   9          2HE       LYS  83 -15.988   3.290   3.290
  611   2HE   LYS   9          1HE       LYS  83 -15.939   2.513   2.513
  612   1HZ   LYS   9          2HZ       LYS  83 -17.501   1.335   1.335
  613   2HZ   LYS   9          1HZ       LYS  83 -18.170   2.563   2.563
  614   3HZ   LYS   9          3HZ       LYS  83 -17.681   1.101   1.101
  615    H    SER  10           H        SER  84 -12.721  -0.272  -0.272
  616    HA   SER  10           HA       SER  84 -13.184  -1.986  -1.986
  617   1HB   SER  10          2HB       SER  84 -15.563  -0.119  -0.119
  618   2HB   SER  10          1HB       SER  84 -15.004  -1.229  -1.229
  619    HG   SER  10           HG       SER  84 -12.997  -0.093  -0.093
  620    H    TYR  11           H        TYR  85 -13.608  -3.786  -3.786
  621    HA   TYR  11           HA       TYR  85 -16.491  -4.547  -4.547
  622   1HB   TYR  11          2HB       TYR  85 -16.357  -5.016  -5.016
  623   2HB   TYR  11          1HB       TYR  85 -15.702  -3.395  -3.395
  624    HD1  TYR  11           HD2      TYR  85 -13.186  -3.091  -3.091
  625    HD2  TYR  11           HD1      TYR  85 -15.017  -6.769  -6.769
  626    HE1  TYR  11           HE2      TYR  85 -11.042  -3.813  -3.813
  627    HE2  TYR  11           HE1      TYR  85 -12.872  -7.491  -7.491
  628    HH   TYR  11           HH       TYR  85 -10.826  -6.601  -6.601
  629    HA   PRO  12           HA       PRO  86 -14.297  -8.189  -8.189
  630   1HB   PRO  12          2HB       PRO  86 -16.535  -9.576  -9.576
  631   2HB   PRO  12          1HB       PRO  86 -15.821  -8.293  -8.293
  632   1HG   PRO  12          2HG       PRO  86 -18.193  -8.202  -8.202
  633   2HG   PRO  12          1HG       PRO  86 -17.919  -7.404  -7.404
  634   1HD   PRO  12          2HD       PRO  86 -17.717  -6.148  -6.148
  635   2HD   PRO  12          1HD       PRO  86 -16.876  -5.616  -5.616
  636    H    ASP  13           HN       ASP  87 -15.361 -10.731 -10.731
  637    HA   ASP  13           HA       ASP  87 -16.122 -10.946 -10.946
  638   1HB   ASP  13          2HB       ASP  87 -13.728 -11.038 -11.038
  639   2HB   ASP  13          1HB       ASP  87 -13.686 -12.087 -12.087

  Start of MODEL    5
    1   1H    ILE   1          2H        ILE   1   9.445  12.643  12.643
    2   2H    ILE   1          1H        ILE   1  10.161  13.705  13.705
    3   3H    ILE   1          3H        ILE   1   9.630  14.286  14.286
    4    HA   ILE   1           HA       ILE   1   7.935  14.964  14.964
    5    HB   ILE   1           HB       ILE   1   7.124  13.249  13.249
    6   1HG1  ILE   1          2HG1      ILE   1   9.744  11.874  11.874
    7   2HG1  ILE   1          1HG1      ILE   1   8.243  11.356  11.356
    8   1HG2  ILE   1          1HG2      ILE   1   9.057  15.119  15.119
    9   2HG2  ILE   1          3HG2      ILE   1  10.029  13.686  13.686
   10   3HG2  ILE   1          2HG2      ILE   1   8.644  14.072  14.072
   11   1HD1  ILE   1          1HD1      ILE   1   7.341  11.418  11.418
   12   2HD1  ILE   1          3HD1      ILE   1   9.049  11.205  11.205
   13   3HD1  ILE   1          2HD1      ILE   1   8.212  10.011  10.011
   14    H    VAL   2           H        VAL   2   5.594  13.694  13.694
   15    HA   VAL   2           HA       VAL   2   4.966  12.507  12.507
   16    HB   VAL   2           HB       VAL   2   3.063  13.628  13.628
   17   1HG1  VAL   2          2HG1      VAL   2   2.237  12.298  12.298
   18   2HG1  VAL   2          1HG1      VAL   2   2.897  13.565  13.565
   19   3HG1  VAL   2          3HG1      VAL   2   1.606  13.941  13.941
   20   1HG2  VAL   2          2HG2      VAL   2   4.953  15.021  15.021
   21   2HG2  VAL   2          1HG2      VAL   2   4.339  15.535  15.535
   22   3HG2  VAL   2          3HG2      VAL   2   3.324  15.683  15.683
   23    H    CYS   3           H        CYS   3   3.513  10.682  10.682
   24    HA   CYS   3           HA       CYS   3   3.141   9.225   9.225
   25   1HB   CYS   3          2HB       CYS   3   4.140   7.972   7.972
   26   2HB   CYS   3          1HB       CYS   3   4.151   7.301   7.301
   27    H    HIS   4           H        HIS   4   1.443   7.601   7.601
   28    HA   HIS   4           HA       HIS   4  -0.681   8.299   8.299
   29   1HB   HIS   4          2HB       HIS   4  -0.761   6.158   6.158
   30   2HB   HIS   4          1HB       HIS   4  -2.086   7.113   7.113
   31    HD1  HIS   4           HD1      HIS   4  -1.115   9.919   9.919
   32    HD2  HIS   4           HD2      HIS   4  -0.508   7.043   7.043
   33    HE1  HIS   4           HE1      HIS   4  -0.747  11.181  11.181
   34    H    THR   5           H        THR   5  -1.532   6.783   6.783
   35    HA   THR   5           HA       THR   5   0.230   4.376   4.376
   36    HB   THR   5           HB       THR   5   0.431   4.830   4.830
   37    HG1  THR   5           HG1      THR   5  -1.728   4.462   4.462
   38   1HG2  THR   5          3HG2      THR   5   0.738   7.086   7.086
   39   2HG2  THR   5          2HG2      THR   5  -0.629   7.595   7.595
   40   3HG2  THR   5          1HG2      THR   5   0.869   7.068   7.068
   41    H    THR   6           H        THR   6  -0.907   2.745   2.745
   42    HA   THR   6           HA       THR   6  -3.834   2.544   2.544
   43    HB   THR   6           HB       THR   6  -2.943   0.222   0.222
   44    HG1  THR   6           HG1      THR   6  -0.823   1.255   1.255
   45   1HG2  THR   6          2HG2      THR   6  -4.753   1.892   1.892
   46   2HG2  THR   6          1HG2      THR   6  -3.486   2.806   2.806
   47   3HG2  THR   6          3HG2      THR   6  -3.867   1.163   1.163
   48    H    ALA   7           H        ALA   7  -0.887   1.680   1.680
   49    HA   ALA   7           HA       ALA   7  -1.917  -0.741  -0.741
   50   1HB   ALA   7          3HB       ALA   7   0.647   0.626   0.626
   51   2HB   ALA   7          2HB       ALA   7   0.547  -0.226  -0.226
   52   3HB   ALA   7          1HB       ALA   7   0.283  -1.105  -1.105
   53    H    THR   8           H        THR   8  -2.525   2.395   2.395
   54    HA   THR   8           HA       THR   8  -2.118   2.213   2.213
   55    HB   THR   8           HB       THR   8  -2.682   4.624   4.624
   56    HG1  THR   8           HG1      THR   8  -3.894   3.949   3.949
   57   1HG2  THR   8          3HG2      THR   8  -0.664   3.677   3.677
   58   2HG2  THR   8          2HG2      THR   8  -0.777   5.340   5.340
   59   3HG2  THR   8          1HG2      THR   8  -0.361   4.044   4.044
   60    H    SER   9           H        SER   9  -4.677   4.274   4.274
   61    HA   SER   9           HA       SER   9  -6.627   2.081   2.081
   62   1HB   SER   9          2HB       SER   9  -7.475   4.806   4.806
   63   2HB   SER   9          1HB       SER   9  -7.394   3.399   3.399
   64    HG   SER   9           HG       SER   9  -5.140   3.792   3.792
   65    HA   PRO  10           HA       PRO  10  -8.735   4.637   4.637
   66   1HB   PRO  10          2HB       PRO  10  -8.077   7.262   7.262
   67   2HB   PRO  10          1HB       PRO  10  -9.077   6.708   6.708
   68   1HG   PRO  10          2HG       PRO  10  -6.369   7.752   7.752
   69   2HG   PRO  10          1HG       PRO  10  -7.480   7.451   7.451
   70   1HD   PRO  10          2HD       PRO  10  -5.284   5.783   5.783
   71   2HD   PRO  10          1HD       PRO  10  -6.155   5.699   5.699
   72    H    ILE  11           H        ILE  11  -6.421   6.999   6.999
   73    HA   ILE  11           HA       ILE  11  -4.516   5.762   5.762
   74    HB   ILE  11           HB       ILE  11  -7.178   5.259   5.259
   75   1HG1  ILE  11          2HG1      ILE  11  -4.383   4.695   4.695
   76   2HG1  ILE  11          1HG1      ILE  11  -5.621   3.565   3.565
   77   1HG2  ILE  11          1HG2      ILE  11  -5.649   7.027   7.027
   78   2HG2  ILE  11          3HG2      ILE  11  -7.092   6.100   6.100
   79   3HG2  ILE  11          2HG2      ILE  11  -7.192   7.409   7.409
   80   1HD1  ILE  11          2HD1      ILE  11  -6.829   4.468   4.468
   81   2HD1  ILE  11          1HD1      ILE  11  -5.143   4.673   4.673
   82   3HD1  ILE  11          3HD1      ILE  11  -5.739   3.083   3.083
   83    H    SER  12           H        SER  12  -3.250   7.556   7.556
   84    HA   SER  12           HA       SER  12  -4.328   9.968   9.968
   85   1HB   SER  12          2HB       SER  12  -4.573  11.317  11.317
   86   2HB   SER  12          1HB       SER  12  -5.021   9.760   9.760
   87    HG   SER  12           HG       SER  12  -3.050   9.598   9.598
   88    H    ALA  13           H        ALA  13  -2.663  11.458  11.458
   89    HA   ALA  13           HA       ALA  13   0.014  10.290  10.290
   90   1HB   ALA  13          3HB       ALA  13  -1.531  12.294  12.294
   91   2HB   ALA  13          2HB       ALA  13   0.059  12.926  12.926
   92   3HB   ALA  13          1HB       ALA  13  -0.070  11.460  11.460
   93    H    VAL  14           H        VAL  14   0.781  10.390  10.390
   94    HA   VAL  14           HA       VAL  14   0.994  13.159  13.159
   95    HB   VAL  14           HB       VAL  14   0.736  12.285  12.285
   96   1HG1  VAL  14          1HG1      VAL  14  -1.096  11.399  11.399
   97   2HG1  VAL  14          3HG1      VAL  14  -0.336   9.830   9.830
   98   3HG1  VAL  14          2HG1      VAL  14  -0.994  10.725  10.725
   99   1HG2  VAL  14          2HG2      VAL  14   2.840  10.984  10.984
  100   2HG2  VAL  14          1HG2      VAL  14   1.561  10.084  10.084
  101   3HG2  VAL  14          3HG2      VAL  14   1.985   9.685   9.685
  102    H    THR  15           H        THR  15   2.962  13.915  13.915
  103    HA   THR  15           HA       THR  15   5.288  12.894  12.894
  104    HB   THR  15           HB       THR  15   5.123  14.803  14.803
  105    HG1  THR  15           HG1      THR  15   4.454  15.103  15.103
  106   1HG2  THR  15          1HG2      THR  15   7.090  14.188  14.188
  107   2HG2  THR  15          3HG2      THR  15   6.933  15.872  15.872
  108   3HG2  THR  15          2HG2      THR  15   7.375  14.636  14.636
  109    H    CYS  16           H        CYS  16   6.872  11.483  11.483
  110    HA   CYS  16           HA       CYS  16   6.490  10.421  10.421
  111   1HB   CYS  16          2HB       CYS  16   7.546   9.403   9.403
  112   2HB   CYS  16          1HB       CYS  16   8.136   8.664   8.664
  113    HA   PRO  17           HA       PRO  17  10.193  12.666  12.666
  114   1HB   PRO  17          2HB       PRO  17  10.405  11.835  11.835
  115   2HB   PRO  17          1HB       PRO  17   9.310  13.118  13.118
  116   1HG   PRO  17          2HG       PRO  17   8.718  10.310  10.310
  117   2HG   PRO  17          1HG       PRO  17   7.725  11.758  11.758
  118   1HD   PRO  17          2HD       PRO  17   7.404   9.865   9.865
  119   2HD   PRO  17          1HD       PRO  17   6.802  11.534  11.534
  120    HA   PRO  18           HA       PRO  18  12.727   8.720   8.720
  121   1HB   PRO  18          2HB       PRO  18  11.612   6.318   6.318
  122   2HB   PRO  18          1HB       PRO  18  11.433   7.028   7.028
  123   1HG   PRO  18          2HG       PRO  18   9.502   6.917   6.917
  124   2HG   PRO  18          1HG       PRO  18   9.217   6.853   6.853
  125   1HD   PRO  18          2HD       PRO  18   8.830   9.075   9.075
  126   2HD   PRO  18          1HD       PRO  18   9.040   9.100   9.100
  127    H    GLY  19           H        GLY  19  12.998   6.490   6.490
  128   1HA   GLY  19          2HA       GLY  19  14.069   7.711   7.711
  129   2HA   GLY  19          1HA       GLY  19  13.424   6.065   6.065
  130    H    GLU  20           H        GLU  20  13.100   8.873   8.873
  131    HA   GLU  20           HA       GLU  20  10.400   8.187   8.187
  132   1HB   GLU  20          2HB       GLU  20   9.545  10.452  10.452
  133   2HB   GLU  20          1HB       GLU  20   9.906   9.336   9.336
  134   1HG   GLU  20          2HG       GLU  20  11.274  10.926  10.926
  135   2HG   GLU  20          1HG       GLU  20  12.346  10.593  10.593
  136    H    ASN  21           H        ASN  21  13.218   8.825   8.825
  137    HA   ASN  21           HA       ASN  21  13.023  11.356  11.356
  138   1HB   ASN  21          2HB       ASN  21  14.579   8.816   8.816
  139   2HB   ASN  21          1HB       ASN  21  14.924  10.406  10.406
  140   1HD2  ASN  21          2HD2      ASN  21  16.087   9.535   9.535
  141   2HD2  ASN  21          1HD2      ASN  21  15.175   8.431   8.431
  142    H    LEU  22           H        LEU  22  11.347   8.448   8.448
  143    HA   LEU  22           HA       LEU  22  10.007   9.306   9.306
  144   1HB   LEU  22          2HB       LEU  22  10.836   7.578   7.578
  145   2HB   LEU  22          1HB       LEU  22  12.264   8.207   8.207
  146    HG   LEU  22           HG       LEU  22  11.554   6.296   6.296
  147   1HD1  LEU  22          3HD1      LEU  22   9.879   5.816   5.816
  148   2HD1  LEU  22          2HD1      LEU  22  11.161   4.614   4.614
  149   3HD1  LEU  22          1HD1      LEU  22  10.185   4.712   4.712
  150   1HD2  LEU  22          1HD2      LEU  22  13.237   6.194   6.194
  151   2HD2  LEU  22          3HD2      LEU  22  13.765   6.345   6.345
  152   3HD2  LEU  22          2HD2      LEU  22  13.149   4.803   4.803
  153    H    CYS  23           H        CYS  23   8.092   7.844   7.844
  154    HA   CYS  23           HA       CYS  23   7.338   6.480   6.480
  155   1HB   CYS  23          2HB       CYS  23   5.652   7.117   7.117
  156   2HB   CYS  23          1HB       CYS  23   5.088   6.752   6.752
  157    H    TYR  24           H        TYR  24   5.633   4.545   4.545
  158    HA   TYR  24           HA       TYR  24   6.792   3.001   3.001
  159   1HB   TYR  24          2HB       TYR  24   7.724   1.282   1.282
  160   2HB   TYR  24          1HB       TYR  24   8.325   2.818   2.818
  161    HD1  TYR  24           HD2      TYR  24   7.348   3.811   3.811
  162    HD2  TYR  24           HD1      TYR  24   6.167  -0.050  -0.050
  163    HE1  TYR  24           HE2      TYR  24   6.301   3.317   3.317
  164    HE2  TYR  24           HE1      TYR  24   5.115  -0.552  -0.552
  165    HH   TYR  24           HH       TYR  24   5.758   0.875   0.875
  166    H    ARG  25           H        ARG  25   5.881   0.682   0.682
  167    HA   ARG  25           HA       ARG  25   3.059   0.756   0.756
  168   1HB   ARG  25          2HB       ARG  25   3.885  -0.504  -0.504
  169   2HB   ARG  25          1HB       ARG  25   2.275  -0.006  -0.006
  170   1HG   ARG  25          2HG       ARG  25   2.891   2.340   2.340
  171   2HG   ARG  25          1HG       ARG  25   4.570   1.914   1.914
  172   1HD   ARG  25          2HD       ARG  25   3.107   2.510   2.510
  173   2HD   ARG  25          1HD       ARG  25   4.017   0.990   0.990
  174    HE   ARG  25           HE       ARG  25   1.288   0.838   0.838
  175   1HH1  ARG  25          1HH2      ARG  25   2.955   0.964   0.964
  176   2HH1  ARG  25          2HH2      ARG  25   2.151  -0.407  -0.407
  177   1HH2  ARG  25          2HH1      ARG  25   0.452  -1.205  -1.205
  178   2HH2  ARG  25          1HH1      ARG  25   0.732  -1.634  -1.634
  179    H    LYS  26           H        LYS  26   3.039  -0.962  -0.962
  180    HA   LYS  26           HA       LYS  26   4.770  -3.305  -3.305
  181   1HB   LYS  26          2HB       LYS  26   3.871  -1.918  -1.918
  182   2HB   LYS  26          1HB       LYS  26   3.410  -3.609  -3.609
  183   1HG   LYS  26          2HG       LYS  26   5.587  -4.354  -4.354
  184   2HG   LYS  26          1HG       LYS  26   6.167  -2.980  -2.980
  185   1HD   LYS  26          2HD       LYS  26   5.167  -1.933  -1.933
  186   2HD   LYS  26          1HD       LYS  26   6.177  -3.319  -3.319
  187   1HE   LYS  26          2HE       LYS  26   7.325  -1.570  -1.570
  188   2HE   LYS  26          1HE       LYS  26   7.177  -0.818  -0.818
  189   1HZ   LYS  26          1HZ       LYS  26   8.338  -3.505  -3.505
  190   2HZ   LYS  26          3HZ       LYS  26   9.246  -2.102  -2.102
  191   3HZ   LYS  26          2HZ       LYS  26   8.238  -2.726  -2.726
  192    H    MET  27           H        MET  27   3.879  -5.387  -5.387
  193    HA   MET  27           HA       MET  27   0.946  -5.653  -5.653
  194   1HB   MET  27          2HB       MET  27   2.582  -5.453  -5.453
  195   2HB   MET  27          1HB       MET  27   1.816  -7.040  -7.040
  196   1HG   MET  27          2HG       MET  27  -0.377  -6.055  -6.055
  197   2HG   MET  27          1HG       MET  27   0.309  -4.443  -4.443
  198   1HE   MET  27          1HE       MET  27  -1.876  -5.435  -5.435
  199   2HE   MET  27          3HE       MET  27  -1.575  -3.875  -3.875
  200   3HE   MET  27          2HE       MET  27  -1.678  -5.342  -5.342
  201    H    TRP  28           H        TRP  28   0.318  -7.786  -7.786
  202    HA   TRP  28           HA       TRP  28   2.295  -9.922  -9.922
  203   1HB   TRP  28          2HB       TRP  28   1.905  -9.849  -9.849
  204   2HB   TRP  28          1HB       TRP  28   3.205  -8.962  -8.962
  205    HD1  TRP  28           HD1      TRP  28  -0.586  -8.098  -8.098
  206    HE1  TRP  28           HE1      TRP  28  -0.706  -5.783  -5.783
  207    HE3  TRP  28           HE3      TRP  28   4.385  -7.005  -7.005
  208    HZ2  TRP  28           HZ2      TRP  28   1.071  -3.744  -3.744
  209    HZ3  TRP  28           HZ3      TRP  28   5.147  -4.872  -4.872
  210    HH2  TRP  28           HH2      TRP  28   3.492  -3.231  -3.231
  211    H    CYS  29           H        CYS  29   0.041  -9.731  -9.731
  212    HA   CYS  29           HA       CYS  29  -2.220 -10.951 -10.951
  213   1HB   CYS  29          2HB       CYS  29  -0.022 -12.499 -12.499
  214   2HB   CYS  29          1HB       CYS  29  -1.518 -12.870 -12.870
  215    H    ASP  30           H        ASP  30  -4.037 -11.185 -11.185
  216    HA   ASP  30           HA       ASP  30  -3.560  -9.590  -9.590
  217   1HB   ASP  30          2HB       ASP  30  -5.032  -8.652  -8.652
  218   2HB   ASP  30          1HB       ASP  30  -6.105 -10.040 -10.040
  219    H    ALA  31           H        ALA  31  -6.630 -10.969 -10.969
  220    HA   ALA  31           HA       ALA  31  -6.394 -12.476 -12.476
  221   1HB   ALA  31          3HB       ALA  31  -8.123 -12.461 -12.461
  222   2HB   ALA  31          2HB       ALA  31  -8.217 -13.920 -13.920
  223   3HB   ALA  31          1HB       ALA  31  -8.572 -12.347 -12.347
  224    H    PHE  32           H        PHE  32  -6.815 -14.330 -14.330
  225    HA   PHE  32           HA       PHE  32  -4.374 -15.930 -15.930
  226   1HB   PHE  32          2HB       PHE  32  -7.213 -16.930 -16.930
  227   2HB   PHE  32          1HB       PHE  32  -5.797 -17.979 -17.979
  228    HD1  PHE  32           HD1      PHE  32  -4.150 -16.986 -16.986
  229    HD2  PHE  32           HD2      PHE  32  -8.441 -17.026 -17.026
  230    HE1  PHE  32           HE1      PHE  32  -4.263 -16.934 -16.934
  231    HE2  PHE  32           HE2      PHE  32  -8.554 -16.974 -16.974
  232    HZ   PHE  32           HZ       PHE  32  -6.464 -16.928 -16.928
  233    H    CYS  33           H        CYS  33  -4.614 -14.037 -14.037
  234    HA   CYS  33           HA       CYS  33  -4.341 -13.849 -13.849
  235   1HB   CYS  33          2HB       CYS  33  -3.802 -16.803 -16.803
  236   2HB   CYS  33          1HB       CYS  33  -3.379 -15.913 -15.913
  237    H    SER  34           H        SER  34  -6.554 -13.389 -13.389
  238    HA   SER  34           HA       SER  34  -8.316 -15.730 -15.730
  239   1HB   SER  34          2HB       SER  34 -10.092 -14.066 -14.066
  240   2HB   SER  34          1HB       SER  34  -9.038 -13.844 -13.844
  241    HG   SER  34           HG       SER  34  -7.919 -12.357 -12.357
  242    H    SER  35           H        SER  35  -9.896 -15.020 -15.020
  243    HA   SER  35           HA       SER  35  -8.272 -15.038 -15.038
  244   1HB   SER  35          2HB       SER  35 -11.182 -14.315 -14.315
  245   2HB   SER  35          1HB       SER  35 -10.322 -15.423 -15.423
  246    HG   SER  35           HG       SER  35 -11.134 -16.867 -16.867
  247    H    ARG  36           H        ARG  36  -9.153 -12.524 -12.524
  248    HA   ARG  36           HA       ARG  36  -9.542 -10.435 -10.435
  249   1HB   ARG  36          2HB       ARG  36  -9.875 -10.857 -10.857
  250   2HB   ARG  36          1HB       ARG  36  -8.860  -9.432  -9.432
  251   1HG   ARG  36          2HG       ARG  36 -10.945  -8.447  -8.447
  252   2HG   ARG  36          1HG       ARG  36 -10.682  -8.864  -8.864
  253   1HD   ARG  36          2HD       ARG  36 -12.016 -10.829 -10.829
  254   2HD   ARG  36          1HD       ARG  36 -12.954  -9.560  -9.560
  255    HE   ARG  36           HE       ARG  36 -11.447 -10.609 -10.609
  256   1HH1  ARG  36          2HH1      ARG  36 -11.923 -12.897 -12.897
  257   2HH1  ARG  36          1HH1      ARG  36 -13.097 -13.832 -13.832
  258   1HH2  ARG  36          1HH2      ARG  36 -13.644 -11.406 -11.406
  259   2HH2  ARG  36          2HH2      ARG  36 -14.071 -12.989 -12.989
  260    H    GLY  37           H        GLY  37  -6.897 -12.183 -12.183
  261   1HA   GLY  37          2HA       GLY  37  -4.633 -11.767 -11.767
  262   2HA   GLY  37          1HA       GLY  37  -5.065 -10.091 -10.091
  263    H    LYS  38           H        LYS  38  -3.165  -9.415  -9.415
  264    HA   LYS  38           HA       LYS  38  -3.188  -9.960  -9.960
  265   1HB   LYS  38          2HB       LYS  38  -1.329  -8.088  -8.088
  266   2HB   LYS  38          1HB       LYS  38  -1.000  -9.123  -9.123
  267   1HG   LYS  38          2HG       LYS  38  -0.040 -10.517 -10.517
  268   2HG   LYS  38          1HG       LYS  38  -1.696 -10.952 -10.952
  269   1HD   LYS  38          2HD       LYS  38  -1.662  -9.725  -9.725
  270   2HD   LYS  38          1HD       LYS  38  -0.602  -8.489  -8.489
  271   1HE   LYS  38          2HE       LYS  38   1.100 -10.610 -10.610
  272   2HE   LYS  38          1HE       LYS  38   0.103 -11.003 -11.003
  273   1HZ   LYS  38          3HZ       LYS  38   0.368  -8.591  -8.591
  274   2HZ   LYS  38          2HZ       LYS  38   1.594  -8.498  -8.498
  275   3HZ   LYS  38          1HZ       LYS  38   1.761  -9.547  -9.547
  276    H    VAL  39           H        VAL  39  -2.098  -7.407  -7.407
  277    HA   VAL  39           HA       VAL  39  -4.552  -5.720  -5.720
  278    HB   VAL  39           HB       VAL  39  -2.308  -5.189  -5.189
  279   1HG1  VAL  39          2HG1      VAL  39  -4.891  -4.196  -4.196
  280   2HG1  VAL  39          1HG1      VAL  39  -5.035  -5.190  -5.190
  281   3HG1  VAL  39          3HG1      VAL  39  -3.867  -3.870  -3.870
  282   1HG2  VAL  39          3HG2      VAL  39  -3.892  -7.664  -7.664
  283   2HG2  VAL  39          2HG2      VAL  39  -2.435  -7.307  -7.307
  284   3HG2  VAL  39          1HG2      VAL  39  -4.013  -6.828  -6.828
  285    H    VAL  40           H        VAL  40  -3.155  -3.346  -3.346
  286    HA   VAL  40           HA       VAL  40  -1.024  -2.865  -2.865
  287    HB   VAL  40           HB       VAL  40  -3.563  -1.209  -1.209
  288   1HG1  VAL  40          2HG1      VAL  40  -0.962  -1.143  -1.143
  289   2HG1  VAL  40          1HG1      VAL  40  -2.267  -1.219  -1.219
  290   3HG1  VAL  40          3HG1      VAL  40  -2.232   0.081   0.081
  291   1HG2  VAL  40          1HG2      VAL  40  -2.799  -3.597  -3.597
  292   2HG2  VAL  40          3HG2      VAL  40  -4.186  -3.474  -3.474
  293   3HG2  VAL  40          2HG2      VAL  40  -4.121  -2.487  -2.487
  294    H    GLU  41           H        GLU  41  -0.059  -2.701  -2.701
  295    HA   GLU  41           HA       GLU  41  -0.937  -0.501  -0.501
  296   1HB   GLU  41          2HB       GLU  41   1.271  -2.523  -2.523
  297   2HB   GLU  41          1HB       GLU  41   0.375  -1.650  -1.650
  298   1HG   GLU  41          2HG       GLU  41  -1.566  -2.966  -2.966
  299   2HG   GLU  41          1HG       GLU  41  -0.292  -4.148  -4.148
  300    H    LEU  42           H        LEU  42  -0.105   1.025   1.025
  301    HA   LEU  42           HA       LEU  42   2.754   1.306   1.306
  302   1HB   LEU  42          2HB       LEU  42   0.843   3.597   3.597
  303   2HB   LEU  42          1HB       LEU  42   2.150   3.109   3.109
  304    HG   LEU  42           HG       LEU  42   0.367   0.964   0.964
  305   1HD1  LEU  42          2HD1      LEU  42  -1.004   3.655   3.655
  306   2HD1  LEU  42          1HD1      LEU  42  -1.719   2.268   2.268
  307   3HD1  LEU  42          3HD1      LEU  42  -1.414   2.201   2.201
  308   1HD2  LEU  42          3HD2      LEU  42   1.411   3.110   3.110
  309   2HD2  LEU  42          2HD2      LEU  42   1.167   1.405   1.405
  310   3HD2  LEU  42          1HD2      LEU  42  -0.176   2.535   2.535
  311    H    GLY  43           H        GLY  43   3.700   3.581   3.581
  312   1HA   GLY  43          2HA       GLY  43   2.824   5.096   5.096
  313   2HA   GLY  43          1HA       GLY  43   3.780   3.784   3.784
  314    H    CYS  44           H        CYS  44   5.477   5.245   5.245
  315    HA   CYS  44           HA       CYS  44   6.931   6.622   6.622
  316   1HB   CYS  44          2HB       CYS  44   7.700   7.182   7.182
  317   2HB   CYS  44          1HB       CYS  44   7.328   8.296   8.296
  318    H    ALA  45           H        ALA  45   9.347   6.553   6.553
  319    HA   ALA  45           HA       ALA  45  10.564   4.532   4.532
  320   1HB   ALA  45          3HB       ALA  45   9.367   3.731   3.731
  321   2HB   ALA  45          2HB       ALA  45  11.073   3.876   3.876
  322   3HB   ALA  45          1HB       ALA  45  10.578   2.814   2.814
  323    H    ALA  46           H        ALA  46  12.703   5.064   5.064
  324    HA   ALA  46           HA       ALA  46  13.838   7.472   7.472
  325   1HB   ALA  46          2HB       ALA  46  14.579   5.109   5.109
  326   2HB   ALA  46          1HB       ALA  46  15.911   5.566   5.566
  327   3HB   ALA  46          3HB       ALA  46  15.271   6.729   6.729
  328    H    THR  47           H        THR  47  14.079   4.161   4.161
  329    HA   THR  47           HA       THR  47  14.960   5.289   5.289
  330    HB   THR  47           HB       THR  47  16.562   3.160   3.160
  331    HG1  THR  47           HG1      THR  47  16.915   2.451   2.451
  332   1HG2  THR  47          3HG2      THR  47  16.832   5.955   5.955
  333   2HG2  THR  47          2HG2      THR  47  17.882   5.093   5.093
  334   3HG2  THR  47          1HG2      THR  47  18.051   4.837   4.837
  335    H    CYS  48           H        CYS  48  15.272   2.973   2.973
  336    HA   CYS  48           HA       CYS  48  12.514   1.917   1.917
  337   1HB   CYS  48          2HB       CYS  48  14.896   2.088   2.088
  338   2HB   CYS  48          1HB       CYS  48  13.782   0.753   0.753
  339    HA   PRO  49           HA       PRO  49  14.152  -1.683  -1.683
  340   1HB   PRO  49          2HB       PRO  49  11.738  -2.517  -2.517
  341   2HB   PRO  49          1HB       PRO  49  12.680  -1.219  -1.219
  342   1HG   PRO  49          2HG       PRO  49  10.238  -1.060  -1.060
  343   2HG   PRO  49          1HG       PRO  49  10.844   0.045   0.045
  344   1HD   PRO  49          2HD       PRO  49  11.006   0.381   0.381
  345   2HD   PRO  49          1HD       PRO  49  11.803   1.364   1.364
  346    H    SER  50           H        SER  50  14.408  -3.696  -3.696
  347    HA   SER  50           HA       SER  50  12.189  -4.877  -4.877
  348   1HB   SER  50          2HB       SER  50  13.731  -3.230  -3.230
  349   2HB   SER  50          1HB       SER  50  14.895  -4.550  -4.550
  350    HG   SER  50           HG       SER  50  12.258  -5.115  -5.115
  351    H    LYS  51           H        LYS  51  14.263  -5.375  -5.375
  352    HA   LYS  51           HA       LYS  51  15.544  -7.873  -7.873
  353   1HB   LYS  51          2HB       LYS  51  15.542  -6.109  -6.109
  354   2HB   LYS  51          1HB       LYS  51  16.150  -7.758  -7.758
  355   1HG   LYS  51          2HG       LYS  51  17.319  -6.847  -6.847
  356   2HG   LYS  51          1HG       LYS  51  17.377  -5.439  -5.439
  357   1HD   LYS  51          2HD       LYS  51  18.278  -7.050  -7.050
  358   2HD   LYS  51          1HD       LYS  51  18.545  -8.183  -8.183
  359   1HE   LYS  51          2HE       LYS  51  20.504  -7.124  -7.124
  360   2HE   LYS  51          1HE       LYS  51  19.575  -5.679  -5.679
  361   1HZ   LYS  51          1HZ       LYS  51  20.024  -6.378  -6.378
  362   2HZ   LYS  51          3HZ       LYS  51  21.196  -5.508  -5.508
  363   3HZ   LYS  51          2HZ       LYS  51  19.633  -4.869  -4.869
  364    H    LYS  52           H        LYS  52  13.172  -8.712  -8.712
  365    HA   LYS  52           HA       LYS  52  12.494 -10.506 -10.506
  366   1HB   LYS  52          2HB       LYS  52  11.077  -7.970  -7.970
  367   2HB   LYS  52          1HB       LYS  52  10.023  -9.375  -9.375
  368   1HG   LYS  52          2HG       LYS  52  10.276  -9.296  -9.296
  369   2HG   LYS  52          1HG       LYS  52  12.012  -9.541  -9.541
  370   1HD   LYS  52          2HD       LYS  52  12.239  -7.466  -7.466
  371   2HD   LYS  52          1HD       LYS  52  11.689  -6.883  -6.883
  372   1HE   LYS  52          2HE       LYS  52   9.917  -5.958  -5.958
  373   2HE   LYS  52          1HE       LYS  52   9.341  -7.606  -7.606
  374   1HZ   LYS  52          3HZ       LYS  52  10.900  -7.660  -7.660
  375   2HZ   LYS  52          2HZ       LYS  52  11.210  -6.008  -6.008
  376   3HZ   LYS  52          1HZ       LYS  52   9.650  -6.528  -6.528
  377    HA   PRO  53           HA       PRO  53  11.716 -12.253 -12.253
  378   1HB   PRO  53          2HB       PRO  53  12.180 -14.836 -14.836
  379   2HB   PRO  53          1HB       PRO  53  13.460 -13.710 -13.710
  380   1HG   PRO  53          2HG       PRO  53  12.558 -14.449 -14.449
  381   2HG   PRO  53          1HG       PRO  53  14.201 -14.236 -14.236
  382   1HD   PRO  53          2HD       PRO  53  12.985 -12.327 -12.327
  383   2HD   PRO  53          1HD       PRO  53  14.107 -11.935 -11.935
  384    H    TYR  54           H        TYR  54   9.933 -12.234 -12.234
  385    HA   TYR  54           HA       TYR  54   7.816 -13.955 -13.955
  386   1HB   TYR  54          2HB       TYR  54   7.204 -14.060 -14.060
  387   2HB   TYR  54          1HB       TYR  54   8.260 -15.232 -15.232
  388    HD1  TYR  54           HD1      TYR  54  10.773 -14.717 -14.717
  389    HD2  TYR  54           HD2      TYR  54   8.007 -12.725 -12.725
  390    HE1  TYR  54           HE1      TYR  54  12.652 -14.012 -14.012
  391    HE2  TYR  54           HE2      TYR  54   9.886 -12.024 -12.024
  392    HH   TYR  54           HH       TYR  54  12.975 -13.360 -13.360
  393    H    GLU  55           H        GLU  55   8.638 -10.849 -10.849
  394    HA   GLU  55           HA       GLU  55   5.801 -10.049 -10.049
  395   1HB   GLU  55          2HB       GLU  55   8.383  -8.568  -8.568
  396   2HB   GLU  55          1HB       GLU  55   6.765  -8.129  -8.129
  397   1HG   GLU  55          2HG       GLU  55   7.409 -10.882 -10.882
  398   2HG   GLU  55          1HG       GLU  55   8.588  -9.755  -9.755
  399    H    GLU  56           H        GLU  56   5.037  -8.173  -8.173
  400    HA   GLU  56           HA       GLU  56   6.607  -7.600  -7.600
  401   1HB   GLU  56          2HB       GLU  56   4.199  -8.794  -8.794
  402   2HB   GLU  56          1HB       GLU  56   3.670  -7.111  -7.111
  403   1HG   GLU  56          2HG       GLU  56   5.582  -7.190  -7.190
  404   2HG   GLU  56          1HG       GLU  56   4.745  -8.733  -8.733
  405    H    VAL  57           H        VAL  57   7.691  -5.834  -5.834
  406    HA   VAL  57           HA       VAL  57   5.966  -3.584  -3.584
  407    HB   VAL  57           HB       VAL  57   8.206  -2.708  -2.708
  408   1HG1  VAL  57          1HG1      VAL  57   6.612  -4.730  -4.730
  409   2HG1  VAL  57          3HG1      VAL  57   8.242  -5.398  -5.398
  410   3HG1  VAL  57          2HG1      VAL  57   7.877  -3.858  -3.858
  411   1HG2  VAL  57          3HG2      VAL  57   9.372  -4.114  -4.114
  412   2HG2  VAL  57          2HG2      VAL  57  10.169  -3.971  -3.971
  413   3HG2  VAL  57          1HG2      VAL  57   9.274  -5.436  -5.436
  414    H    THR  58           H        THR  58   6.593  -1.366  -1.366
  415    HA   THR  58           HA       THR  58   7.858  -1.263  -1.263
  416    HB   THR  58           HB       THR  58   5.317   0.244   0.244
  417    HG1  THR  58           HG1      THR  58   5.349  -2.422  -2.422
  418   1HG2  THR  58          2HG2      THR  58   6.955  -0.660  -0.660
  419   2HG2  THR  58          1HG2      THR  58   5.210  -0.765  -0.765
  420   3HG2  THR  58          3HG2      THR  58   5.953   0.782   0.782
  421    H    CYS  59           H        CYS  59   7.485   1.456   1.456
  422    HA   CYS  59           HA       CYS  59   8.384   2.801   2.801
  423   1HB   CYS  59          2HB       CYS  59   9.857   2.282   2.282
  424   2HB   CYS  59          1HB       CYS  59   9.986   3.927   3.927
  425    H    CYS  60           H        CYS  60   8.969   5.196   5.196
  426    HA   CYS  60           HA       CYS  60   7.062   6.267   6.267
  427   1HB   CYS  60          2HB       CYS  60   5.486   6.382   6.382
  428   2HB   CYS  60          1HB       CYS  60   6.711   6.269   6.269
  429    H    SER  61           H        SER  61   8.430   7.662   7.662
  430    HA   SER  61           HA       SER  61  10.582   9.010   9.010
  431   1HB   SER  61          2HB       SER  61  11.616   9.281   9.281
  432   2HB   SER  61          1HB       SER  61  10.935   7.656   7.656
  433    HG   SER  61           HG       SER  61  10.021   9.981   9.981
  434    H    THR  62           H        THR  62   7.518   9.689   9.689
  435    HA   THR  62           HA       THR  62   8.111  12.609  12.609
  436    HB   THR  62           HB       THR  62   5.443  11.528  11.528
  437    HG1  THR  62           HG1      THR  62   7.627  10.990  10.990
  438   1HG2  THR  62          3HG2      THR  62   7.198  13.709  13.709
  439   2HG2  THR  62          2HG2      THR  62   6.755  12.838  12.838
  440   3HG2  THR  62          1HG2      THR  62   5.498  13.492  13.492
  441    H    ASP  63           H        ASP  63   5.317  13.332  13.332
  442    HA   ASP  63           HA       ASP  63   5.290  13.242  13.242
  443   1HB   ASP  63          2HB       ASP  63   4.476  15.026  15.026
  444   2HB   ASP  63          1HB       ASP  63   3.205  14.841  14.841
  445    H    LYS  64           H        LYS  64   3.668  12.155  12.155
  446    HA   LYS  64           HA       LYS  64   2.001  10.483  10.483
  447   1HB   LYS  64          2HB       LYS  64   0.749  12.357  12.357
  448   2HB   LYS  64          1HB       LYS  64  -0.136  11.268  11.268
  449   1HG   LYS  64          2HG       LYS  64  -0.173  12.940  12.940
  450   2HG   LYS  64          1HG       LYS  64   1.564  12.696  12.696
  451   1HD   LYS  64          2HD       LYS  64   1.357  14.991  14.991
  452   2HD   LYS  64          1HD       LYS  64   1.822  14.218  14.218
  453   1HE   LYS  64          2HE       LYS  64  -0.002  15.284  15.284
  454   2HE   LYS  64          1HE       LYS  64  -0.943  14.021  14.021
  455   1HZ   LYS  64          2HZ       LYS  64  -0.043  16.545  16.545
  456   2HZ   LYS  64          1HZ       LYS  64  -1.605  16.294  16.294
  457   3HZ   LYS  64          3HZ       LYS  64  -1.052  15.361  15.361
  458    H    CYS  65           H        CYS  65   3.818   9.313   9.313
  459    HA   CYS  65           HA       CYS  65   2.534   8.458   8.458
  460   1HB   CYS  65          2HB       CYS  65   5.009   7.081   7.081
  461   2HB   CYS  65          1HB       CYS  65   4.628   8.121   8.121
  462    H    ASN  66           H        ASN  66   1.483   7.763   7.763
  463    HA   ASN  66           HA       ASN  66   1.913   4.804   4.804
  464   1HB   ASN  66          2HB       ASN  66   1.476   6.957   6.957
  465   2HB   ASN  66          1HB       ASN  66   0.600   5.464   5.464
  466   1HD2  ASN  66          2HD2      ASN  66   4.517   4.583   4.583
  467   2HD2  ASN  66          1HD2      ASN  66   3.613   5.249   5.249
  468    HA   PRO  67           HA       PRO  67  -2.682   5.861   5.861
  469   1HB   PRO  67          2HB       PRO  67  -2.849   5.999   5.999
  470   2HB   PRO  67          1HB       PRO  67  -2.560   7.424   7.424
  471   1HG   PRO  67          2HG       PRO  67  -0.653   5.851   5.851
  472   2HG   PRO  67          1HG       PRO  67  -0.694   7.588   7.588
  473   1HD   PRO  67          2HD       PRO  67   0.994   5.787   5.787
  474   2HD   PRO  67          1HD       PRO  67   0.536   7.373   7.373
  475    H    HIS  68           H        HIS  68  -3.693   3.906   3.906
  476    HA   HIS  68           HA       HIS  68  -2.907   1.705   1.705
  477   1HB   HIS  68          2HB       HIS  68  -3.073   0.213   0.213
  478   2HB   HIS  68          1HB       HIS  68  -2.254   1.621   1.621
  479    HD1  HIS  68           HD1      HIS  68  -5.649  -0.058  -0.058
  480    HD2  HIS  68           HD2      HIS  68  -3.644   3.019   3.019
  481    HE1  HIS  68           HE1      HIS  68  -7.151   0.668   0.668
  482    HA   PRO  69           HA       PRO  69  -7.215   1.362   1.362
  483   1HB   PRO  69          2HB       PRO  69  -8.139  -1.095  -1.095
  484   2HB   PRO  69          1HB       PRO  69  -7.088  -0.867  -0.867
  485   1HG   PRO  69          2HG       PRO  69  -6.393  -1.766  -1.766
  486   2HG   PRO  69          1HG       PRO  69  -5.784  -2.339  -2.339
  487   1HD   PRO  69          2HD       PRO  69  -4.398  -0.655  -0.655
  488   2HD   PRO  69          1HD       PRO  69  -4.235  -0.649  -0.649
  489    H    LYS  70           H        LYS  70  -7.665   3.037   3.037
  490    HA   LYS  70           HA       LYS  70  -8.682   2.149   2.149
  491   1HB   LYS  70          2HB       LYS  70  -8.645   4.975   4.975
  492   2HB   LYS  70          1HB       LYS  70  -8.370   4.391   4.391
  493   1HG   LYS  70          2HG       LYS  70  -6.267   3.229   3.229
  494   2HG   LYS  70          1HG       LYS  70  -6.484   4.431   4.431
  495   1HD   LYS  70          2HD       LYS  70  -6.652   5.477   5.477
  496   2HD   LYS  70          1HD       LYS  70  -5.060   4.900   4.900
  497   1HE   LYS  70          2HE       LYS  70  -5.189   7.240   7.240
  498   2HE   LYS  70          1HE       LYS  70  -5.347   6.309   6.309
  499   1HZ   LYS  70          3HZ       LYS  70  -7.679   7.110   7.110
  500   2HZ   LYS  70          2HZ       LYS  70  -7.095   8.066   8.066
  501   3HZ   LYS  70          1HZ       LYS  70  -7.686   6.502   6.502
  502    H    GLN  71           H        GLN  71  -9.845   4.375   4.375
  503    HA   GLN  71           HA       GLN  71 -12.631   3.763   3.763
  504   1HB   GLN  71          2HB       GLN  71 -11.164   6.012   6.012
  505   2HB   GLN  71          1HB       GLN  71 -12.887   5.842   5.842
  506   1HG   GLN  71          2HG       GLN  71 -13.309   6.863   6.863
  507   2HG   GLN  71          1HG       GLN  71 -12.593   5.476   5.476
  508   1HE2  GLN  71          2HE2      GLN  71  -9.544   7.142   7.142
  509   2HE2  GLN  71          1HE2      GLN  71 -10.347   5.648   5.648
  510    H    ARG  72           H        ARG  72 -11.700   1.627   1.627
  511    HA   ARG  72           HA       ARG  72 -12.547   2.022   2.022
  512   1HB   ARG  72          2HB       ARG  72 -10.289   1.192   1.192
  513   2HB   ARG  72          1HB       ARG  72 -10.841  -0.045  -0.045
  514   1HG   ARG  72          2HG       ARG  72 -10.754  -1.323  -1.323
  515   2HG   ARG  72          1HG       ARG  72 -12.397  -0.701  -0.701
  516   1HD   ARG  72          2HD       ARG  72 -11.765   0.144   0.144
  517   2HD   ARG  72          1HD       ARG  72 -10.755   1.297   1.297
  518    HE   ARG  72           HE       ARG  72  -9.706  -1.432  -1.432
  519   1HH1  ARG  72          2HH1      ARG  72  -8.882   1.649   1.649
  520   2HH1  ARG  72          1HH1      ARG  72  -7.581   1.854   1.854
  521   1HH2  ARG  72          1HH2      ARG  72  -8.318  -1.029  -1.029
  522   2HH2  ARG  72          2HH2      ARG  72  -7.262   0.338   0.338
  523    HA   PRO  73           HA       PRO  73 -16.175  -0.254  -0.254
  524   1HB   PRO  73          2HB       PRO  73 -17.254  -0.466  -0.466
  525   2HB   PRO  73          1HB       PRO  73 -17.322   1.027   1.027
  526   1HG   PRO  73          2HG       PRO  73 -15.502   0.297   0.297
  527   2HG   PRO  73          1HG       PRO  73 -16.259   1.852   1.852
  528   1HD   PRO  73          2HD       PRO  73 -13.654   1.266   1.266
  529   2HD   PRO  73          1HD       PRO  73 -14.622   2.435   2.435
  530    H    GLY  74           HN       GLY  74 -16.958  -2.450  -2.450
  531   1HA   GLY  74          2HA       GLY  74 -15.627  -4.224  -4.224
  532   2HA   GLY  74          1HA       GLY  74 -15.167  -4.509  -4.509
  533   1H    MET   1          3H        MET  75 -11.739  -5.830  -5.830
  534   2H    MET   1          2H        MET  75 -13.432  -5.956  -5.956
  535   3H    MET   1          1H        MET  75 -12.601  -4.978  -4.978
  536    HA   MET   1           HA       MET  75 -13.292  -3.355  -3.355
  537   1HB   MET   1          2HB       MET  75 -13.087  -5.608  -5.608
  538   2HB   MET   1          1HB       MET  75 -13.528  -3.959  -3.959
  539   1HG   MET   1          2HG       MET  75 -15.642  -4.278  -4.278
  540   2HG   MET   1          1HG       MET  75 -15.077  -4.815  -4.815
  541   1HE   MET   1          3HE       MET  75 -17.539  -5.545  -5.545
  542   2HE   MET   1          2HE       MET  75 -17.738  -7.235  -7.235
  543   3HE   MET   1          1HE       MET  75 -17.215  -6.061  -6.061
  544    H    ARG   2           H        ARG  76 -12.102  -2.649  -2.649
  545    HA   ARG   2           HA       ARG  76 -10.039  -1.868  -1.868
  546   1HB   ARG   2          2HB       ARG  76  -9.768  -4.530  -4.530
  547   2HB   ARG   2          1HB       ARG  76  -8.476  -3.821  -3.821
  548   1HG   ARG   2          2HG       ARG  76  -7.399  -2.903  -2.903
  549   2HG   ARG   2          1HG       ARG  76  -8.829  -3.093  -3.093
  550   1HD   ARG   2          2HD       ARG  76  -8.457  -5.362  -5.362
  551   2HD   ARG   2          1HD       ARG  76  -7.604  -5.554  -5.554
  552    HE   ARG   2           HE       ARG  76  -5.625  -5.035  -5.035
  553   1HH1  ARG   2          2HH1      ARG  76  -8.042  -4.774  -4.774
  554   2HH1  ARG   2          1HH1      ARG  76  -7.286  -3.542  -3.542
  555   1HH2  ARG   2          1HH2      ARG  76  -4.769  -2.929  -2.929
  556   2HH2  ARG   2          2HH2      ARG  76  -5.434  -2.496  -2.496
  557    H    TYR   3           H        TYR  77  -7.571  -1.584  -1.584
  558    HA   TYR   3           HA       TYR  77  -8.056  -0.018  -0.018
  559   1HB   TYR   3          2HB       TYR  77  -5.353   0.047   0.047
  560   2HB   TYR   3          1HB       TYR  77  -6.433   1.389   1.389
  561    HD1  TYR   3           HD2      TYR  77  -8.149   2.088   2.088
  562    HD2  TYR   3           HD1      TYR  77  -5.133  -0.848  -0.848
  563    HE1  TYR   3           HE2      TYR  77  -8.559   2.371   2.371
  564    HE2  TYR   3           HE1      TYR  77  -5.534  -0.560  -0.560
  565    HH   TYR   3           HH       TYR  77  -6.554   0.701   0.701
  566    H    TYR   4           H        TYR  78  -8.169  -2.834  -2.834
  567    HA   TYR   4           HA       TYR  78  -5.743  -4.190  -4.190
  568   1HB   TYR   4          2HB       TYR  78  -8.567  -4.610  -4.610
  569   2HB   TYR   4          1HB       TYR  78  -8.036  -5.261  -5.261
  570    HD1  TYR   4           HD1      TYR  78  -6.666  -5.141  -5.141
  571    HD2  TYR   4           HD2      TYR  78  -7.564  -7.506  -7.506
  572    HE1  TYR   4           HE1      TYR  78  -5.794  -7.158  -7.158
  573    HE2  TYR   4           HE2      TYR  78  -6.689  -9.522  -9.522
  574    HH   TYR   4           HH       TYR  78  -6.326 -10.307 -10.307
  575    H    GLU   5           H        GLU  79  -6.220  -5.428  -5.428
  576    HA   GLU   5           HA       GLU  79  -5.530  -3.353  -3.353
  577   1HB   GLU   5          2HB       GLU  79  -5.024  -5.334  -5.334
  578   2HB   GLU   5          1HB       GLU  79  -4.275  -5.468  -5.468
  579   1HG   GLU   5          2HG       GLU  79  -5.863  -7.045  -7.045
  580   2HG   GLU   5          1HG       GLU  79  -7.005  -6.633  -6.633
  581    H    SER   6           H        SER  80  -8.147  -2.939  -2.939
  582    HA   SER   6           HA       SER  80  -9.617  -3.572  -3.572
  583   1HB   SER   6          2HB       SER  80 -10.405  -5.428  -5.428
  584   2HB   SER   6          1HB       SER  80 -10.089  -4.737  -4.737
  585    HG   SER   6           HG       SER  80 -12.337  -4.622  -4.622
  586    H    SER   7           H        SER  81  -9.757  -2.055  -2.055
  587    HA   SER   7           HA       SER  81 -10.500   0.523   0.523
  588   1HB   SER   7          2HB       SER  81 -12.946   0.093   0.093
  589   2HB   SER   7          1HB       SER  81 -12.621  -0.099  -0.099
  590    HG   SER   7           HG       SER  81 -12.456  -2.126  -2.126
  591    H    LEU   8           H        LEU  82 -12.118   1.424   1.424
  592    HA   LEU   8           HA       LEU  82 -10.338   0.894   0.894
  593   1HB   LEU   8          2HB       LEU  82 -11.873   3.367   3.367
  594   2HB   LEU   8          1HB       LEU  82 -10.949   3.240   3.240
  595    HG   LEU   8           HG       LEU  82  -9.977   3.431   3.431
  596   1HD1  LEU   8          2HD1      LEU  82  -9.640   4.784   4.784
  597   2HD1  LEU   8          1HD1      LEU  82  -8.173   4.648   4.648
  598   3HD1  LEU   8          3HD1      LEU  82  -9.595   5.454   5.454
  599   1HD2  LEU   8          1HD2      LEU  82  -8.620   1.931   1.931
  600   2HD2  LEU   8          3HD2      LEU  82  -8.852   1.420   1.420
  601   3HD2  LEU   8          2HD2      LEU  82  -7.691   2.691   2.691
  602    H    LYS   9           H        LYS  83 -11.488  -0.354  -0.354
  603    HA   LYS   9           HA       LYS  83 -14.195   0.563   0.563
  604   1HB   LYS   9          2HB       LYS  83 -13.749  -2.344  -2.344
  605   2HB   LYS   9          1HB       LYS  83 -15.269  -1.460  -1.460
  606   1HG   LYS   9          2HG       LYS  83 -14.535  -0.134  -0.134
  607   2HG   LYS   9          1HG       LYS  83 -13.168  -1.239  -1.239
  608   1HD   LYS   9          2HD       LYS  83 -14.458  -2.892  -2.892
  609   2HD   LYS   9          1HD       LYS  83 -15.739  -2.615  -2.615
  610   1HE   LYS   9          2HE       LYS  83 -16.003  -0.368  -0.368
  611   2HE   LYS   9          1HE       LYS  83 -15.447  -1.525  -1.525
  612   1HZ   LYS   9          1HZ       LYS  83 -17.643  -2.015  -2.015
  613   2HZ   LYS   9          3HZ       LYS  83 -17.864  -1.627  -1.627
  614   3HZ   LYS   9          2HZ       LYS  83 -17.115  -3.091  -3.091
  615    H    SER  10           H        SER  84 -12.053   0.890   0.890
  616    HA   SER  10           HA       SER  84 -10.748  -0.681  -0.681
  617   1HB   SER  10          2HB       SER  84 -12.064   1.738   1.738
  618   2HB   SER  10          1HB       SER  84 -12.707   0.791   0.791
  619    HG   SER  10           HG       SER  84 -10.435   2.017   2.017
  620    H    TYR  11           H        TYR  85 -11.545  -2.899  -2.899
  621    HA   TYR  11           HA       TYR  85 -13.956  -3.500  -3.500
  622   1HB   TYR  11          2HB       TYR  85 -14.416  -5.201  -5.201
  623   2HB   TYR  11          1HB       TYR  85 -13.594  -4.060  -4.060
  624    HD1  TYR  11           HD2      TYR  85 -12.994  -7.028  -7.028
  625    HD2  TYR  11           HD1      TYR  85 -11.623  -4.705  -4.705
  626    HE1  TYR  11           HE2      TYR  85 -11.282  -8.751  -8.751
  627    HE2  TYR  11           HE1      TYR  85  -9.915  -6.433  -6.433
  628    HH   TYR  11           HH       TYR  85  -9.801  -9.476  -9.476
  629    HA   PRO  12           HA       PRO  86 -11.066  -5.288  -5.288
  630   1HB   PRO  12          2HB       PRO  86 -12.903  -6.494  -6.494
  631   2HB   PRO  12          1HB       PRO  86 -12.585  -4.748  -4.748
  632   1HG   PRO  12          2HG       PRO  86 -14.816  -6.244  -6.244
  633   2HG   PRO  12          1HG       PRO  86 -14.833  -4.681  -4.681
  634   1HD   PRO  12          2HD       PRO  86 -14.857  -4.953  -4.953
  635   2HD   PRO  12          1HD       PRO  86 -14.207  -3.532  -3.532
  636    H    ASP  13           HN       ASP  87 -13.873  -7.383  -7.383
  637    HA   ASP  13           HA       ASP  87 -12.105  -9.442  -9.442
  638   1HB   ASP  13          2HB       ASP  87 -11.992  -9.582  -9.582
  639   2HB   ASP  13          1HB       ASP  87 -13.694 -10.043 -10.043

  Start of MODEL    6
    1   1H    ILE   1          1H        ILE   1   8.139  14.984  14.984
    2   2H    ILE   1          3H        ILE   1   8.686  15.622  15.622
    3   3H    ILE   1          2H        ILE   1   7.687  16.555  16.555
    4    HA   ILE   1           HA       ILE   1   6.139  15.833  15.833
    5    HB   ILE   1           HB       ILE   1   6.405  13.551  13.551
    6   1HG1  ILE   1          2HG1      ILE   1   8.931  13.545  13.545
    7   2HG1  ILE   1          1HG1      ILE   1   7.545  12.475  12.475
    8   1HG2  ILE   1          3HG2      ILE   1   7.675  15.828  15.828
    9   2HG2  ILE   1          2HG2      ILE   1   9.082  14.832  14.832
   10   3HG2  ILE   1          1HG2      ILE   1   7.946  14.322  14.322
   11   1HD1  ILE   1          2HD1      ILE   1   8.470  12.430  12.430
   12   2HD1  ILE   1          1HD1      ILE   1   9.778  12.018  12.018
   13   3HD1  ILE   1          3HD1      ILE   1   8.278  11.090  11.090
   14    H    VAL   2           H        VAL   2   4.685  13.506  13.506
   15    HA   VAL   2           HA       VAL   2   4.347  12.817  12.817
   16    HB   VAL   2           HB       VAL   2   2.034  13.462  13.462
   17   1HG1  VAL   2          2HG1      VAL   2   1.755  12.247  12.247
   18   2HG1  VAL   2          1HG1      VAL   2   2.320  13.721  13.721
   19   3HG1  VAL   2          3HG1      VAL   2   0.832  13.741  13.741
   20   1HG2  VAL   2          2HG2      VAL   2   3.665  15.359  15.359
   21   2HG2  VAL   2          1HG2      VAL   2   3.402  15.462  15.462
   22   3HG2  VAL   2          3HG2      VAL   2   2.062  15.743  15.743
   23    H    CYS   3           H        CYS   3   3.167  10.807  10.807
   24    HA   CYS   3           HA       CYS   3   2.903   9.107   9.107
   25   1HB   CYS   3          2HB       CYS   3   4.011   8.170   8.170
   26   2HB   CYS   3          1HB       CYS   3   4.162   7.424   7.424
   27    H    HIS   4           H        HIS   4   1.427   7.256   7.256
   28    HA   HIS   4           HA       HIS   4  -0.695   7.846   7.846
   29   1HB   HIS   4          2HB       HIS   4  -0.667   5.967   5.967
   30   2HB   HIS   4          1HB       HIS   4  -2.066   6.462   6.462
   31    HD1  HIS   4           HD1      HIS   4  -1.960   9.393   9.393
   32    HD2  HIS   4           HD2      HIS   4  -0.782   7.355   7.355
   33    HE1  HIS   4           HE1      HIS   4  -2.156  11.040  11.040
   34    H    THR   5           H        THR   5  -1.493   6.102   6.102
   35    HA   THR   5           HA       THR   5   0.460   3.844   3.844
   36    HB   THR   5           HB       THR   5   0.482   4.071   4.071
   37    HG1  THR   5           HG1      THR   5  -1.615   3.635   3.635
   38   1HG2  THR   5          3HG2      THR   5   0.824   6.416   6.416
   39   2HG2  THR   5          2HG2      THR   5  -0.613   6.830   6.830
   40   3HG2  THR   5          1HG2      THR   5   0.846   6.278   6.278
   41    H    THR   6           H        THR   6  -0.785   2.642   2.642
   42    HA   THR   6           HA       THR   6  -3.586   2.079   2.079
   43    HB   THR   6           HB       THR   6  -2.495  -0.102  -0.102
   44    HG1  THR   6           HG1      THR   6  -0.413   0.911   0.911
   45   1HG2  THR   6          3HG2      THR   6  -3.236   2.637   2.637
   46   2HG2  THR   6          2HG2      THR   6  -2.243   1.745   1.745
   47   3HG2  THR   6          1HG2      THR   6  -3.787   1.080   1.080
   48    H    ALA   7           H        ALA   7  -0.926   1.164   1.164
   49    HA   ALA   7           HA       ALA   7  -2.137  -1.382  -1.382
   50   1HB   ALA   7          3HB       ALA   7   0.451  -0.018  -0.018
   51   2HB   ALA   7          2HB       ALA   7   0.068  -0.873  -0.873
   52   3HB   ALA   7          1HB       ALA   7   0.094  -1.748  -1.748
   53    H    THR   8           H        THR   8  -3.082   1.603   1.603
   54    HA   THR   8           HA       THR   8  -3.117   1.258   1.258
   55    HB   THR   8           HB       THR   8  -4.221   3.622   3.622
   56    HG1  THR   8           HG1      THR   8  -3.866   4.536   4.536
   57   1HG2  THR   8          2HG2      THR   8  -1.338   2.904   2.904
   58   2HG2  THR   8          1HG2      THR   8  -1.870   4.580   4.580
   59   3HG2  THR   8          3HG2      THR   8  -2.062   3.476   3.476
   60    H    SER   9           H        SER   9  -5.582   2.832   2.832
   61    HA   SER   9           HA       SER   9  -7.559   0.717   0.717
   62   1HB   SER   9          2HB       SER   9  -8.729   2.647   2.647
   63   2HB   SER   9          1HB       SER   9  -8.121   1.067   1.067
   64    HG   SER   9           HG       SER   9  -7.187   2.915   2.915
   65    HA   PRO  10           HA       PRO  10  -9.698   4.758   4.758
   66   1HB   PRO  10          2HB       PRO  10  -8.360   7.106   7.106
   67   2HB   PRO  10          1HB       PRO  10  -9.382   6.395   6.395
   68   1HG   PRO  10          2HG       PRO  10  -6.431   6.340   6.340
   69   2HG   PRO  10          1HG       PRO  10  -7.439   6.576   6.576
   70   1HD   PRO  10          2HD       PRO  10  -6.255   4.216   4.216
   71   2HD   PRO  10          1HD       PRO  10  -7.783   4.335   4.335
   72    H    ILE  11           H        ILE  11  -6.203   5.050   5.050
   73    HA   ILE  11           HA       ILE  11  -4.778   5.076   5.076
   74    HB   ILE  11           HB       ILE  11  -7.173   3.958   3.958
   75   1HG1  ILE  11          2HG1      ILE  11  -4.325   4.085   4.085
   76   2HG1  ILE  11          1HG1      ILE  11  -5.345   2.678   2.678
   77   1HG2  ILE  11          2HG2      ILE  11  -6.228   6.128   6.128
   78   2HG2  ILE  11          1HG2      ILE  11  -7.317   4.820   4.820
   79   3HG2  ILE  11          3HG2      ILE  11  -7.823   6.003   6.003
   80   1HD1  ILE  11          2HD1      ILE  11  -6.479   3.576   3.576
   81   2HD1  ILE  11          1HD1      ILE  11  -4.817   4.120   4.120
   82   3HD1  ILE  11          3HD1      ILE  11  -5.161   2.412   2.412
   83    H    SER  12           H        SER  12  -3.861   6.966   6.966
   84    HA   SER  12           HA       SER  12  -4.952   9.201   9.201
   85   1HB   SER  12          2HB       SER  12  -4.778  10.613  10.613
   86   2HB   SER  12          1HB       SER  12  -6.257   9.734   9.734
   87    HG   SER  12           HG       SER  12  -5.763   9.072   9.072
   88    H    ALA  13           H        ALA  13  -3.300  11.100  11.100
   89    HA   ALA  13           HA       ALA  13  -0.631   9.833   9.833
   90   1HB   ALA  13          1HB       ALA  13  -1.908  11.948  11.948
   91   2HB   ALA  13          3HB       ALA  13  -0.296  12.382  12.382
   92   3HB   ALA  13          2HB       ALA  13  -0.524  10.930  10.930
   93    H    VAL  14           H        VAL  14   1.110  10.994  10.994
   94    HA   VAL  14           HA       VAL  14   0.554  13.248  13.248
   95    HB   VAL  14           HB       VAL  14   0.082  12.064  12.064
   96   1HG1  VAL  14          2HG1      VAL  14   0.513   9.685   9.685
   97   2HG1  VAL  14          1HG1      VAL  14  -0.030   9.531   9.531
   98   3HG1  VAL  14          3HG1      VAL  14  -1.016  10.406  10.406
   99   1HG2  VAL  14          3HG2      VAL  14   2.652  11.983  11.983
  100   2HG2  VAL  14          2HG2      VAL  14   1.754  10.820  10.820
  101   3HG2  VAL  14          1HG2      VAL  14   2.512  10.307  10.307
  102    H    THR  15           H        THR  15   2.482  14.149  14.149
  103    HA   THR  15           HA       THR  15   4.823  13.604  13.604
  104    HB   THR  15           HB       THR  15   5.112  15.361  15.361
  105    HG1  THR  15           HG1      THR  15   3.298  16.360  16.360
  106   1HG2  THR  15          3HG2      THR  15   5.722  15.272  15.272
  107   2HG2  THR  15          2HG2      THR  15   5.346  16.879  16.879
  108   3HG2  THR  15          1HG2      THR  15   6.665  15.945  15.945
  109    H    CYS  16           H        CYS  16   5.761  11.635  11.635
  110    HA   CYS  16           HA       CYS  16   6.032  10.550  10.550
  111   1HB   CYS  16          2HB       CYS  16   6.985  10.084  10.084
  112   2HB   CYS  16          1HB       CYS  16   8.013   9.406   9.406
  113    HA   PRO  17           HA       PRO  17   9.642  12.386  12.386
  114   1HB   PRO  17          2HB       PRO  17  11.310  10.272  10.272
  115   2HB   PRO  17          1HB       PRO  17   9.852  10.641  10.641
  116   1HG   PRO  17          2HG       PRO  17  10.241   8.641   8.641
  117   2HG   PRO  17          1HG       PRO  17   9.384   8.472   8.472
  118   1HD   PRO  17          2HD       PRO  17   8.072   8.886   8.886
  119   2HD   PRO  17          1HD       PRO  17   7.503   9.571   9.571
  120    HA   PRO  18           HA       PRO  18  12.848  13.011  13.011
  121   1HB   PRO  18          2HB       PRO  18  15.179  12.934  12.934
  122   2HB   PRO  18          1HB       PRO  18  14.026  14.283  14.283
  123   1HG   PRO  18          2HG       PRO  18  14.366  11.975  11.975
  124   2HG   PRO  18          1HG       PRO  18  14.091  13.687  13.687
  125   1HD   PRO  18          2HD       PRO  18  12.109  11.868  11.868
  126   2HD   PRO  18          1HD       PRO  18  11.822  13.547  13.547
  127    H    GLY  19           H        GLY  19  13.306  10.176  10.176
  128   1HA   GLY  19          2HA       GLY  19  15.381   8.823   8.823
  129   2HA   GLY  19          1HA       GLY  19  13.953   7.995   7.995
  130    H    GLU  20           H        GLU  20  11.981   8.135   8.135
  131    HA   GLU  20           HA       GLU  20  12.654   7.111   7.111
  132   1HB   GLU  20          2HB       GLU  20  10.165   8.012   8.012
  133   2HB   GLU  20          1HB       GLU  20  10.090   7.384   7.384
  134   1HG   GLU  20          2HG       GLU  20   9.807   5.418   5.418
  135   2HG   GLU  20          1HG       GLU  20  11.562   5.433   5.433
  136    H    ASN  21           H        ASN  21  13.507   8.502   8.502
  137    HA   ASN  21           HA       ASN  21  12.765  11.346  11.346
  138   1HB   ASN  21          2HB       ASN  21  14.435   9.727   9.727
  139   2HB   ASN  21          1HB       ASN  21  14.527  11.459  11.459
  140   1HD2  ASN  21          2HD2      ASN  21  15.673  10.233  10.233
  141   2HD2  ASN  21          1HD2      ASN  21  14.103  10.656  10.656
  142    H    LEU  22           H        LEU  22  11.476   8.488   8.488
  143    HA   LEU  22           HA       LEU  22   9.818  10.072  10.072
  144   1HB   LEU  22          2HB       LEU  22  10.338   8.461   8.461
  145   2HB   LEU  22          1HB       LEU  22  11.807   9.247   9.247
  146    HG   LEU  22           HG       LEU  22  11.819   7.160   7.160
  147   1HD1  LEU  22          2HD1      LEU  22  10.158   6.328   6.328
  148   2HD1  LEU  22          1HD1      LEU  22  11.124   5.152   5.152
  149   3HD1  LEU  22          3HD1      LEU  22   9.842   6.045   6.045
  150   1HD2  LEU  22          1HD2      LEU  22  12.713   7.138   7.138
  151   2HD2  LEU  22          3HD2      LEU  22  13.645   7.711   7.711
  152   3HD2  LEU  22          2HD2      LEU  22  13.274   5.995   5.995
  153    H    CYS  23           H        CYS  23   8.135   8.419   8.419
  154    HA   CYS  23           HA       CYS  23   7.061   6.800   6.800
  155   1HB   CYS  23          2HB       CYS  23   5.739   7.589   7.589
  156   2HB   CYS  23          1HB       CYS  23   4.962   7.133   7.133
  157    H    TYR  24           H        TYR  24   5.882   4.713   4.713
  158    HA   TYR  24           HA       TYR  24   7.195   3.597   3.597
  159   1HB   TYR  24          2HB       TYR  24   8.224   1.795   1.795
  160   2HB   TYR  24          1HB       TYR  24   8.667   3.262   3.262
  161    HD1  TYR  24           HD1      TYR  24   7.499   3.868   3.868
  162    HD2  TYR  24           HD2      TYR  24   6.810   0.152   0.152
  163    HE1  TYR  24           HE1      TYR  24   6.471   2.943   2.943
  164    HE2  TYR  24           HE2      TYR  24   5.783  -0.778  -0.778
  165    HH   TYR  24           HH       TYR  24   4.533   0.586   0.586
  166    H    ARG  25           H        ARG  25   6.491   1.167   1.167
  167    HA   ARG  25           HA       ARG  25   3.645   0.921   0.921
  168   1HB   ARG  25          2HB       ARG  25   4.522   0.095   0.095
  169   2HB   ARG  25          1HB       ARG  25   2.903   0.489   0.489
  170   1HG   ARG  25          2HG       ARG  25   3.760   2.869   2.869
  171   2HG   ARG  25          1HG       ARG  25   5.189   2.394   2.394
  172   1HD   ARG  25          2HD       ARG  25   3.457   1.561   1.561
  173   2HD   ARG  25          1HD       ARG  25   2.347   2.668   2.668
  174    HE   ARG  25           HE       ARG  25   4.410   4.324   4.324
  175   1HH1  ARG  25          2HH1      ARG  25   2.374   2.866   2.866
  176   2HH1  ARG  25          1HH1      ARG  25   3.300   3.281   3.281
  177   1HH2  ARG  25          1HH2      ARG  25   6.008   4.467   4.467
  178   2HH2  ARG  25          2HH2      ARG  25   5.358   4.188   4.188
  179    H    LYS  26           H        LYS  26   3.676  -0.993  -0.993
  180    HA   LYS  26           HA       LYS  26   5.521  -3.152  -3.152
  181   1HB   LYS  26          2HB       LYS  26   4.646  -2.106  -2.106
  182   2HB   LYS  26          1HB       LYS  26   4.394  -3.840  -3.840
  183   1HG   LYS  26          2HG       LYS  26   6.681  -4.243  -4.243
  184   2HG   LYS  26          1HG       LYS  26   6.994  -2.525  -2.525
  185   1HD   LYS  26          2HD       LYS  26   5.892  -2.911  -2.911
  186   2HD   LYS  26          1HD       LYS  26   7.265  -3.997  -3.997
  187   1HE   LYS  26          2HE       LYS  26   7.892  -1.400  -1.400
  188   2HE   LYS  26          1HE       LYS  26   7.386  -1.239  -1.239
  189   1HZ   LYS  26          2HZ       LYS  26   9.272  -3.330  -3.330
  190   2HZ   LYS  26          1HZ       LYS  26   9.793  -1.823  -1.823
  191   3HZ   LYS  26          3HZ       LYS  26   8.932  -2.873  -2.873
  192    H    MET  27           H        MET  27   4.658  -5.369  -5.369
  193    HA   MET  27           HA       MET  27   1.756  -5.697  -5.697
  194   1HB   MET  27          2HB       MET  27   3.378  -5.436  -5.436
  195   2HB   MET  27          1HB       MET  27   2.581  -7.007  -7.007
  196   1HG   MET  27          2HG       MET  27   0.477  -6.099  -6.099
  197   2HG   MET  27          1HG       MET  27   0.925  -4.647  -4.647
  198   1HE   MET  27          2HE       MET  27   1.888  -6.743  -6.743
  199   2HE   MET  27          1HE       MET  27   0.521  -6.113  -6.113
  200   3HE   MET  27          3HE       MET  27   2.173  -5.692  -5.692
  201    H    TRP  28           H        TRP  28   1.182  -7.949  -7.949
  202    HA   TRP  28           HA       TRP  28   3.273  -9.965  -9.965
  203   1HB   TRP  28          2HB       TRP  28   2.728 -10.064 -10.064
  204   2HB   TRP  28          1HB       TRP  28   4.045  -9.112  -9.112
  205    HD1  TRP  28           HD1      TRP  28   0.213  -8.406  -8.406
  206    HE1  TRP  28           HE1      TRP  28  -0.026  -6.121  -6.121
  207    HE3  TRP  28           HE3      TRP  28   5.121  -7.157  -7.157
  208    HZ2  TRP  28           HZ2      TRP  28   1.649  -4.052  -4.052
  209    HZ3  TRP  28           HZ3      TRP  28   5.782  -5.028  -5.028
  210    HH2  TRP  28           HH2      TRP  28   4.048  -3.466  -3.466
  211    H    CYS  29           H        CYS  29   0.888 -10.050 -10.050
  212    HA   CYS  29           HA       CYS  29  -1.252 -11.323 -11.323
  213   1HB   CYS  29          2HB       CYS  29   1.025 -12.797 -12.797
  214   2HB   CYS  29          1HB       CYS  29  -0.564 -13.455 -13.455
  215    H    ASP  30           H        ASP  30  -3.027 -10.730 -10.730
  216    HA   ASP  30           HA       ASP  30  -2.675  -9.741  -9.741
  217   1HB   ASP  30          2HB       ASP  30  -4.976  -9.257  -9.257
  218   2HB   ASP  30          1HB       ASP  30  -4.442  -9.221  -9.221
  219    H    ALA  31           H        ALA  31  -2.131 -11.106 -11.106
  220    HA   ALA  31           HA       ALA  31  -2.227 -12.950 -12.950
  221   1HB   ALA  31          1HB       ALA  31  -4.995 -12.959 -12.959
  222   2HB   ALA  31          3HB       ALA  31  -4.551 -13.917 -13.917
  223   3HB   ALA  31          2HB       ALA  31  -4.509 -12.155 -12.155
  224    H    PHE  32           H        PHE  32  -4.487 -14.496 -14.496
  225    HA   PHE  32           HA       PHE  32  -2.350 -16.474 -16.474
  226   1HB   PHE  32          2HB       PHE  32  -5.198 -16.625 -16.625
  227   2HB   PHE  32          1HB       PHE  32  -4.676 -17.807 -17.807
  228    HD1  PHE  32           HD2      PHE  32  -3.148 -16.217 -16.217
  229    HD2  PHE  32           HD1      PHE  32  -4.044 -19.842 -19.842
  230    HE1  PHE  32           HE2      PHE  32  -2.036 -17.537 -17.537
  231    HE2  PHE  32           HE1      PHE  32  -2.934 -21.161 -21.161
  232    HZ   PHE  32           HZ       PHE  32  -1.929 -20.009 -20.009
  233    H    CYS  33           H        CYS  33  -3.179 -13.949 -13.949
  234    HA   CYS  33           HA       CYS  33  -3.738 -13.225 -13.225
  235   1HB   CYS  33          2HB       CYS  33  -1.851 -15.250 -15.250
  236   2HB   CYS  33          1HB       CYS  33  -3.016 -15.803 -15.803
  237    H    SER  34           H        SER  34  -5.950 -13.039 -13.039
  238    HA   SER  34           HA       SER  34  -7.786 -15.271 -15.271
  239   1HB   SER  34          2HB       SER  34  -8.017 -12.652 -12.652
  240   2HB   SER  34          1HB       SER  34  -8.360 -12.648 -12.648
  241    HG   SER  34           HG       SER  34 -10.218 -12.933 -12.933
  242    H    SER  35           H        SER  35  -9.201 -14.087 -14.087
  243    HA   SER  35           HA       SER  35  -7.602 -15.567 -15.567
  244   1HB   SER  35          2HB       SER  35 -10.537 -15.161 -15.161
  245   2HB   SER  35          1HB       SER  35  -9.563 -16.581 -16.581
  246    HG   SER  35           HG       SER  35 -10.960 -16.000 -16.000
  247    H    ARG  36           H        ARG  36  -7.736 -12.577 -12.577
  248    HA   ARG  36           HA       ARG  36  -8.589 -11.528 -11.528
  249   1HB   ARG  36          2HB       ARG  36  -8.294 -10.006 -10.006
  250   2HB   ARG  36          1HB       ARG  36  -9.163  -9.502  -9.502
  251   1HG   ARG  36          2HG       ARG  36 -10.388 -11.886 -11.886
  252   2HG   ARG  36          1HG       ARG  36 -10.021 -11.297 -11.297
  253   1HD   ARG  36          2HD       ARG  36 -12.017 -10.173 -10.173
  254   2HD   ARG  36          1HD       ARG  36 -10.968  -9.007  -9.007
  255    HE   ARG  36           HE       ARG  36 -12.047 -11.258 -11.258
  256   1HH1  ARG  36          2HH1      ARG  36 -10.817  -8.929  -8.929
  257   2HH1  ARG  36          1HH1      ARG  36 -12.188  -7.968  -7.968
  258   1HH2  ARG  36          1HH2      ARG  36 -14.358  -9.588  -9.588
  259   2HH2  ARG  36          2HH2      ARG  36 -14.192  -8.342  -8.342
  260    H    GLY  37           H        GLY  37  -5.881 -12.529 -12.529
  261   1HA   GLY  37          2HA       GLY  37  -3.700 -12.010 -12.010
  262   2HA   GLY  37          1HA       GLY  37  -4.249 -10.348 -10.348
  263    H    LYS  38           H        LYS  38  -2.304  -9.642  -9.642
  264    HA   LYS  38           HA       LYS  38  -2.247 -10.352 -10.352
  265   1HB   LYS  38          2HB       LYS  38  -0.480  -8.360  -8.360
  266   2HB   LYS  38          1HB       LYS  38  -0.094  -9.405  -9.405
  267   1HG   LYS  38          2HG       LYS  38  -0.407 -10.170 -10.170
  268   2HG   LYS  38          1HG       LYS  38   1.011 -10.374 -10.374
  269   1HD   LYS  38          2HD       LYS  38   0.289 -12.429 -12.429
  270   2HD   LYS  38          1HD       LYS  38  -1.145 -11.707 -11.707
  271   1HE   LYS  38          2HE       LYS  38  -2.369 -12.716 -12.716
  272   2HE   LYS  38          1HE       LYS  38  -1.588 -11.636 -11.636
  273   1HZ   LYS  38          1HZ       LYS  38  -0.443 -14.191 -14.191
  274   2HZ   LYS  38          3HZ       LYS  38  -1.179 -13.987 -13.987
  275   3HZ   LYS  38          2HZ       LYS  38   0.262 -13.162 -13.162
  276    H    VAL  39           H        VAL  39  -1.070  -7.437  -7.437
  277    HA   VAL  39           HA       VAL  39  -3.690  -6.000  -6.000
  278    HB   VAL  39           HB       VAL  39  -1.570  -5.489  -5.489
  279   1HG1  VAL  39          2HG1      VAL  39  -4.163  -4.592  -4.592
  280   2HG1  VAL  39          1HG1      VAL  39  -4.351  -5.724  -5.724
  281   3HG1  VAL  39          3HG1      VAL  39  -3.247  -4.357  -4.357
  282   1HG2  VAL  39          3HG2      VAL  39  -3.110  -8.012  -8.012
  283   2HG2  VAL  39          2HG2      VAL  39  -1.584  -7.715  -7.715
  284   3HG2  VAL  39          1HG2      VAL  39  -3.109  -7.293  -7.293
  285    H    VAL  40           H        VAL  40  -2.364  -3.670  -3.670
  286    HA   VAL  40           HA       VAL  40  -0.172  -2.969  -2.969
  287    HB   VAL  40           HB       VAL  40  -2.832  -1.505  -1.505
  288   1HG1  VAL  40          2HG1      VAL  40  -0.114  -1.189  -1.189
  289   2HG1  VAL  40          1HG1      VAL  40  -1.508  -0.771  -0.771
  290   3HG1  VAL  40          3HG1      VAL  40  -1.248   0.049   0.049
  291   1HG2  VAL  40          2HG2      VAL  40  -1.579  -3.545  -3.545
  292   2HG2  VAL  40          1HG2      VAL  40  -3.130  -3.677  -3.677
  293   3HG2  VAL  40          3HG2      VAL  40  -2.919  -2.489  -2.489
  294    H    GLU  41           H        GLU  41   0.675  -2.874  -2.874
  295    HA   GLU  41           HA       GLU  41  -0.433  -0.831  -0.831
  296   1HB   GLU  41          2HB       GLU  41   1.863  -2.721  -2.721
  297   2HB   GLU  41          1HB       GLU  41   0.813  -1.989  -1.989
  298   1HG   GLU  41          2HG       GLU  41  -0.902  -3.345  -3.345
  299   2HG   GLU  41          1HG       GLU  41   0.435  -4.449  -4.449
  300    H    LEU  42           H        LEU  42   0.367   0.931   0.931
  301    HA   LEU  42           HA       LEU  42   3.214   1.389   1.389
  302   1HB   LEU  42          2HB       LEU  42   1.006   3.441   3.441
  303   2HB   LEU  42          1HB       LEU  42   2.492   3.358   3.358
  304    HG   LEU  42           HG       LEU  42   1.311   0.961   0.961
  305   1HD1  LEU  42          3HD1      LEU  42  -0.738   2.781   2.781
  306   2HD1  LEU  42          2HD1      LEU  42  -1.020   2.348   2.348
  307   3HD1  LEU  42          1HD1      LEU  42  -0.885   1.085   1.085
  308   1HD2  LEU  42          1HD2      LEU  42   2.050   3.386   3.386
  309   2HD2  LEU  42          3HD2      LEU  42   1.680   1.857   1.857
  310   3HD2  LEU  42          2HD2      LEU  42   0.407   3.050   3.050
  311    H    GLY  43           H        GLY  43   4.030   3.648   3.648
  312   1HA   GLY  43          2HA       GLY  43   3.048   4.956   4.956
  313   2HA   GLY  43          1HA       GLY  43   3.969   3.596   3.596
  314    H    CYS  44           H        CYS  44   5.839   4.568   4.568
  315    HA   CYS  44           HA       CYS  44   7.289   6.416   6.416
  316   1HB   CYS  44          2HB       CYS  44   7.540   6.153   6.153
  317   2HB   CYS  44          1HB       CYS  44   8.073   7.483   7.483
  318    H    ALA  45           H        ALA  45   9.698   6.286   6.286
  319    HA   ALA  45           HA       ALA  45  10.954   4.045   4.045
  320   1HB   ALA  45          1HB       ALA  45   9.659   3.089   3.089
  321   2HB   ALA  45          3HB       ALA  45  10.804   3.956   3.956
  322   3HB   ALA  45          2HB       ALA  45  11.376   2.689   2.689
  323    H    ALA  46           H        ALA  46  13.285   4.124   4.124
  324    HA   ALA  46           HA       ALA  46  14.294   6.803   6.803
  325   1HB   ALA  46          2HB       ALA  46  15.057   4.384   4.384
  326   2HB   ALA  46          1HB       ALA  46  16.376   4.878   4.878
  327   3HB   ALA  46          3HB       ALA  46  15.764   5.991   5.991
  328    H    THR  47           H        THR  47  14.479   3.647   3.647
  329    HA   THR  47           HA       THR  47  15.321   5.053   5.053
  330    HB   THR  47           HB       THR  47  17.092   3.071   3.071
  331    HG1  THR  47           HG1      THR  47  17.797   3.145   3.145
  332   1HG2  THR  47          1HG2      THR  47  17.239   5.748   5.748
  333   2HG2  THR  47          3HG2      THR  47  17.943   5.153   5.153
  334   3HG2  THR  47          2HG2      THR  47  18.652   4.693   4.693
  335    H    CYS  48           H        CYS  48  14.545   4.010   4.010
  336    HA   CYS  48           HA       CYS  48  12.372   2.332   2.332
  337   1HB   CYS  48          2HB       CYS  48  14.763   2.313   2.313
  338   2HB   CYS  48          1HB       CYS  48  13.155   1.715   1.715
  339    HA   PRO  49           HA       PRO  49  14.431  -1.284  -1.284
  340   1HB   PRO  49          2HB       PRO  49  12.157  -2.332  -2.332
  341   2HB   PRO  49          1HB       PRO  49  13.111  -1.061  -1.061
  342   1HG   PRO  49          2HG       PRO  49  10.552  -0.861  -0.861
  343   2HG   PRO  49          1HG       PRO  49  11.139   0.075   0.075
  344   1HD   PRO  49          2HD       PRO  49  11.123   0.943   0.943
  345   2HD   PRO  49          1HD       PRO  49  12.115   1.630   1.630
  346    H    SER  50           H        SER  50  14.658  -3.228  -3.228
  347    HA   SER  50           HA       SER  50  12.813  -3.761  -3.761
  348   1HB   SER  50          2HB       SER  50  15.457  -4.918  -4.918
  349   2HB   SER  50          1HB       SER  50  14.613  -5.464  -5.464
  350    HG   SER  50           HG       SER  50  16.225  -3.784  -3.784
  351    H    LYS  51           H        LYS  51  14.474  -6.304  -6.304
  352    HA   LYS  51           HA       LYS  51  12.045  -7.252  -7.252
  353   1HB   LYS  51          2HB       LYS  51  11.498  -8.034  -8.034
  354   2HB   LYS  51          1HB       LYS  51  13.172  -8.457  -8.457
  355   1HG   LYS  51          2HG       LYS  51  13.107 -10.297 -10.297
  356   2HG   LYS  51          1HG       LYS  51  11.495  -9.825  -9.825
  357   1HD   LYS  51          2HD       LYS  51  10.678 -10.187 -10.187
  358   2HD   LYS  51          1HD       LYS  51  12.267 -10.843 -10.843
  359   1HE   LYS  51          2HE       LYS  51  11.281 -12.089 -12.089
  360   2HE   LYS  51          1HE       LYS  51  10.093 -12.263 -12.263
  361   1HZ   LYS  51          1HZ       LYS  51  13.004 -12.776 -12.776
  362   2HZ   LYS  51          3HZ       LYS  51  11.849 -13.991 -13.991
  363   3HZ   LYS  51          2HZ       LYS  51  11.795 -13.056 -13.056
  364    H    LYS  52           H        LYS  52  12.549  -9.053  -9.053
  365    HA   LYS  52           HA       LYS  52  15.414  -9.858  -9.858
  366   1HB   LYS  52          2HB       LYS  52  13.881  -8.146  -8.146
  367   2HB   LYS  52          1HB       LYS  52  14.849  -9.407  -9.407
  368   1HG   LYS  52          2HG       LYS  52  16.753  -8.279  -8.279
  369   2HG   LYS  52          1HG       LYS  52  16.350  -8.137  -8.137
  370   1HD   LYS  52          2HD       LYS  52  14.611  -6.337  -6.337
  371   2HD   LYS  52          1HD       LYS  52  15.987  -6.185  -6.185
  372   1HE   LYS  52          2HE       LYS  52  17.294  -5.205  -5.205
  373   2HE   LYS  52          1HE       LYS  52  16.703  -6.289  -6.289
  374   1HZ   LYS  52          2HZ       LYS  52  14.960  -4.239  -4.239
  375   2HZ   LYS  52          1HZ       LYS  52  15.947  -3.872  -3.872
  376   3HZ   LYS  52          3HZ       LYS  52  14.747  -5.062  -5.062
  377    HA   PRO  53           HA       PRO  53  13.062 -12.991 -12.991
  378   1HB   PRO  53          2HB       PRO  53  10.498 -12.481 -12.481
  379   2HB   PRO  53          1HB       PRO  53  11.917 -11.958 -11.958
  380   1HG   PRO  53          2HG       PRO  53  10.167 -10.395 -10.395
  381   2HG   PRO  53          1HG       PRO  53  10.936  -9.911  -9.911
  382   1HD   PRO  53          2HD       PRO  53  11.877  -9.221  -9.221
  383   2HD   PRO  53          1HD       PRO  53  12.892  -9.353  -9.353
  384    H    TYR  54           H        TYR  54   9.836 -12.021 -12.021
  385    HA   TYR  54           HA       TYR  54   9.990 -13.672 -13.672
  386   1HB   TYR  54          2HB       TYR  54   7.555 -14.372 -14.372
  387   2HB   TYR  54          1HB       TYR  54   8.992 -15.382 -15.382
  388    HD1  TYR  54           HD2      TYR  54   7.889 -12.425 -12.425
  389    HD2  TYR  54           HD1      TYR  54   9.623 -16.352 -16.352
  390    HE1  TYR  54           HE2      TYR  54   8.135 -12.329 -12.329
  391    HE2  TYR  54           HE1      TYR  54   9.863 -16.262 -16.262
  392    HH   TYR  54           HH       TYR  54   8.298 -14.468 -14.468
  393    H    GLU  55           H        GLU  55   9.258 -10.755 -10.755
  394    HA   GLU  55           HA       GLU  55   6.750 -10.425 -10.425
  395   1HB   GLU  55          2HB       GLU  55   7.942  -8.541  -8.541
  396   2HB   GLU  55          1HB       GLU  55   6.279  -8.588  -8.588
  397   1HG   GLU  55          2HG       GLU  55   7.676 -10.614 -10.614
  398   2HG   GLU  55          1HG       GLU  55   6.264  -9.635  -9.635
  399    H    GLU  56           H        GLU  56   6.653  -8.002  -8.002
  400    HA   GLU  56           HA       GLU  56   9.310  -7.219  -7.219
  401   1HB   GLU  56          2HB       GLU  56   6.700  -7.908  -7.908
  402   2HB   GLU  56          1HB       GLU  56   7.745  -6.708  -6.708
  403   1HG   GLU  56          2HG       GLU  56   8.719  -8.537  -8.537
  404   2HG   GLU  56          1HG       GLU  56   9.564  -8.645  -8.645
  405    H    VAL  57           H        VAL  57   8.964  -4.929  -4.929
  406    HA   VAL  57           HA       VAL  57   6.850  -3.239  -3.239
  407    HB   VAL  57           HB       VAL  57   8.059  -3.576  -3.576
  408   1HG1  VAL  57          3HG1      VAL  57  10.357  -3.510  -3.510
  409   2HG1  VAL  57          2HG1      VAL  57  10.626  -2.639  -2.639
  410   3HG1  VAL  57          1HG1      VAL  57  10.172  -4.343  -4.343
  411   1HG2  VAL  57          1HG2      VAL  57   7.421  -1.196  -1.196
  412   2HG2  VAL  57          3HG2      VAL  57   8.672  -1.330  -1.330
  413   3HG2  VAL  57          2HG2      VAL  57   9.115  -0.965  -0.965
  414    H    THR  58           H        THR  58   7.406  -0.844  -0.844
  415    HA   THR  58           HA       THR  58   9.469  -0.527  -0.527
  416    HB   THR  58           HB       THR  58   7.043  -1.145  -1.145
  417    HG1  THR  58           HG1      THR  58   7.905  -0.428  -0.428
  418   1HG2  THR  58          2HG2      THR  58   6.266   0.871   0.871
  419   2HG2  THR  58          1HG2      THR  58   6.541   1.789   1.789
  420   3HG2  THR  58          3HG2      THR  58   5.394   0.450   0.450
  421    H    CYS  59           H        CYS  59   8.680   2.147   2.147
  422    HA   CYS  59           HA       CYS  59   9.048   3.494   3.494
  423   1HB   CYS  59          2HB       CYS  59  10.545   3.533   3.533
  424   2HB   CYS  59          1HB       CYS  59   9.940   5.150   5.150
  425    H    CYS  60           H        CYS  60   8.710   5.997   5.997
  426    HA   CYS  60           HA       CYS  60   6.610   6.717   6.717
  427   1HB   CYS  60          2HB       CYS  60   5.182   5.432   5.432
  428   2HB   CYS  60          1HB       CYS  60   5.950   6.074   6.074
  429    H    SER  61           H        SER  61   8.407   8.329   8.329
  430    HA   SER  61           HA       SER  61   8.616  10.217  10.217
  431   1HB   SER  61          2HB       SER  61  10.657  10.907  10.907
  432   2HB   SER  61          1HB       SER  61  10.607   9.146   9.146
  433    HG   SER  61           HG       SER  61  10.968  10.642  10.642
  434    H    THR  62           H        THR  62   6.134  10.523  10.523
  435    HA   THR  62           HA       THR  62   6.530  13.118  13.118
  436    HB   THR  62           HB       THR  62   4.294  11.293  11.293
  437    HG1  THR  62           HG1      THR  62   5.548   9.848   9.848
  438   1HG2  THR  62          2HG2      THR  62   6.193  13.093  13.093
  439   2HG2  THR  62          1HG2      THR  62   4.819  12.236  12.236
  440   3HG2  THR  62          3HG2      THR  62   4.552  13.505  13.505
  441    H    ASP  63           H        ASP  63   4.186  14.225  14.225
  442    HA   ASP  63           HA       ASP  63   3.335  14.847  14.847
  443   1HB   ASP  63          2HB       ASP  63   2.324  15.016  15.016
  444   2HB   ASP  63          1HB       ASP  63   1.020  14.912  14.912
  445    H    LYS  64           H        LYS  64   3.265  12.934  12.934
  446    HA   LYS  64           HA       LYS  64   2.432  10.844  10.844
  447   1HB   LYS  64          2HB       LYS  64  -0.034  11.105  11.105
  448   2HB   LYS  64          1HB       LYS  64   0.894  12.522  12.522
  449   1HG   LYS  64          2HG       LYS  64   0.279  13.698  13.698
  450   2HG   LYS  64          1HG       LYS  64  -0.445  12.246  12.246
  451   1HD   LYS  64          2HD       LYS  64  -2.249  12.277  12.277
  452   2HD   LYS  64          1HD       LYS  64  -1.424  13.410  13.410
  453   1HE   LYS  64          2HE       LYS  64  -2.589  15.050  15.050
  454   2HE   LYS  64          1HE       LYS  64  -1.541  14.750  14.750
  455   1HZ   LYS  64          2HZ       LYS  64  -3.064  12.869  12.869
  456   2HZ   LYS  64          1HZ       LYS  64  -4.132  13.445  13.445
  457   3HZ   LYS  64          3HZ       LYS  64  -3.765  14.409  14.409
  458    H    CYS  65           H        CYS  65   3.250   9.851   9.851
  459    HA   CYS  65           HA       CYS  65   1.062   9.189   9.189
  460   1HB   CYS  65          2HB       CYS  65   2.950   7.996   7.996
  461   2HB   CYS  65          1HB       CYS  65   3.058   9.744   9.744
  462    H    ASN  66           H        ASN  66   0.916   8.136   8.136
  463    HA   ASN  66           HA       ASN  66   1.520   5.261   5.261
  464   1HB   ASN  66          2HB       ASN  66   1.146   7.221   7.221
  465   2HB   ASN  66          1HB       ASN  66   0.454   5.639   5.639
  466   1HD2  ASN  66          2HD2      ASN  66   4.340   5.091   5.091
  467   2HD2  ASN  66          1HD2      ASN  66   3.215   5.640   5.640
  468    HA   PRO  67           HA       PRO  67  -3.238   5.514   5.514
  469   1HB   PRO  67          2HB       PRO  67  -4.301   6.886   6.886
  470   2HB   PRO  67          1HB       PRO  67  -3.923   7.654   7.654
  471   1HG   PRO  67          2HG       PRO  67  -2.513   7.828   7.828
  472   2HG   PRO  67          1HG       PRO  67  -2.574   8.981   8.981
  473   1HD   PRO  67          2HD       PRO  67  -0.474   7.206   7.206
  474   2HD   PRO  67          1HD       PRO  67  -0.648   8.191   8.191
  475    H    HIS  68           H        HIS  68  -2.288   3.374   3.374
  476    HA   HIS  68           HA       HIS  68  -1.790   2.401   2.401
  477   1HB   HIS  68          2HB       HIS  68  -2.896   0.308   0.308
  478   2HB   HIS  68          1HB       HIS  68  -1.843   1.073   1.073
  479    HD1  HIS  68           HD1      HIS  68  -5.163  -0.259  -0.259
  480    HD2  HIS  68           HD2      HIS  68  -3.445   2.878   2.878
  481    HE1  HIS  68           HE1      HIS  68  -6.811   0.338   0.338
  482    HA   PRO  69           HA       PRO  69  -5.455   3.027   3.027
  483   1HB   PRO  69          2HB       PRO  69  -4.880   1.348   1.348
  484   2HB   PRO  69          1HB       PRO  69  -4.020   2.875   2.875
  485   1HG   PRO  69          2HG       PRO  69  -3.082   0.134   0.134
  486   2HG   PRO  69          1HG       PRO  69  -2.156   1.634   1.634
  487   1HD   PRO  69          2HD       PRO  69  -2.861   0.135   0.135
  488   2HD   PRO  69          1HD       PRO  69  -1.828   1.573   1.573
  489    H    LYS  70           H        LYS  70  -7.015   1.969   1.969
  490    HA   LYS  70           HA       LYS  70  -8.052  -0.535  -0.535
  491   1HB   LYS  70          2HB       LYS  70  -6.611  -0.275  -0.275
  492   2HB   LYS  70          1HB       LYS  70  -8.181  -1.046  -1.046
  493   1HG   LYS  70          2HG       LYS  70  -5.806  -1.958  -1.958
  494   2HG   LYS  70          1HG       LYS  70  -6.778  -2.863  -2.863
  495   1HD   LYS  70          2HD       LYS  70  -7.416  -2.168  -2.168
  496   2HD   LYS  70          1HD       LYS  70  -7.440  -3.743  -3.743
  497   1HE   LYS  70          2HE       LYS  70  -9.628  -3.504  -3.504
  498   2HE   LYS  70          1HE       LYS  70  -9.308  -1.970  -1.970
  499   1HZ   LYS  70          1HZ       LYS  70  -9.003  -1.570  -1.570
  500   2HZ   LYS  70          3HZ       LYS  70 -10.469  -2.386  -2.386
  501   3HZ   LYS  70          2HZ       LYS  70 -10.188  -0.910  -0.910
  502    H    GLN  71           H        GLN  71  -8.778   2.478   2.478
  503    HA   GLN  71           HA       GLN  71 -11.078   2.199   2.199
  504   1HB   GLN  71          2HB       GLN  71  -9.542   4.191   4.191
  505   2HB   GLN  71          1HB       GLN  71 -11.202   4.411   4.411
  506   1HG   GLN  71          2HG       GLN  71 -11.917   5.083   5.083
  507   2HG   GLN  71          1HG       GLN  71 -10.963   3.850   3.850
  508   1HE2  GLN  71          2HE2      GLN  71  -8.573   6.219   6.219
  509   2HE2  GLN  71          1HE2      GLN  71  -9.439   4.803   4.803
  510    H    ARG  72           H        ARG  72 -12.151   0.306   0.306
  511    HA   ARG  72           HA       ARG  72 -13.838  -0.568  -0.568
  512   1HB   ARG  72          2HB       ARG  72 -15.122   1.266   1.266
  513   2HB   ARG  72          1HB       ARG  72 -14.270   2.423   2.423
  514   1HG   ARG  72          2HG       ARG  72 -15.209   1.323   1.323
  515   2HG   ARG  72          1HG       ARG  72 -16.093   0.204   0.204
  516   1HD   ARG  72          2HD       ARG  72 -16.485   3.062   3.062
  517   2HD   ARG  72          1HD       ARG  72 -17.146   2.559   2.559
  518    HE   ARG  72           HE       ARG  72 -17.723   0.981   0.981
  519   1HH1  ARG  72          2HH1      ARG  72 -18.821  -0.003  -0.003
  520   2HH1  ARG  72          1HH1      ARG  72 -20.405   0.696   0.696
  521   1HH2  ARG  72          1HH2      ARG  72 -19.707   3.051   3.051
  522   2HH2  ARG  72          2HH2      ARG  72 -20.907   2.424   2.424
  523    HA   PRO  73           HA       PRO  73 -11.690  -0.489  -0.489
  524   1HB   PRO  73          2HB       PRO  73 -13.136  -2.485  -2.485
  525   2HB   PRO  73          1HB       PRO  73 -11.868  -2.797  -2.797
  526   1HG   PRO  73          2HG       PRO  73 -14.823  -2.763  -2.763
  527   2HG   PRO  73          1HG       PRO  73 -13.616  -3.833  -3.833
  528   1HD   PRO  73          2HD       PRO  73 -14.772  -1.734  -1.734
  529   2HD   PRO  73          1HD       PRO  73 -13.158  -2.371  -2.371
  530    H    GLY  74           HN       GLY  74 -12.758   1.693   1.693
  531   1HA   GLY  74          2HA       GLY  74 -14.716   1.473   1.473
  532   2HA   GLY  74          1HA       GLY  74 -15.155   2.488   2.488
  533   1H    MET   1          3H        MET  75 -12.462  -5.826  -5.826
  534   2H    MET   1          2H        MET  75 -13.824  -5.056  -5.056
  535   3H    MET   1          1H        MET  75 -13.772  -5.415  -5.415
  536    HA   MET   1           HA       MET  75 -13.142  -3.261  -3.261
  537   1HB   MET   1          2HB       MET  75 -12.298  -3.682  -3.682
  538   2HB   MET   1          1HB       MET  75 -12.050  -2.154  -2.154
  539   1HG   MET   1          2HG       MET  75 -14.600  -2.382  -2.382
  540   2HG   MET   1          1HG       MET  75 -14.626  -3.477  -3.477
  541   1HE   MET   1          3HE       MET  75 -13.271  -2.939  -2.939
  542   2HE   MET   1          2HE       MET  75 -11.998  -1.852  -1.852
  543   3HE   MET   1          1HE       MET  75 -13.101  -1.332  -1.332
  544    H    ARG   2           H        ARG  76 -11.417  -3.010  -3.010
  545    HA   ARG   2           HA       ARG  76  -8.676  -3.422  -3.422
  546   1HB   ARG   2          2HB       ARG  76 -10.144  -5.450  -5.450
  547   2HB   ARG   2          1HB       ARG  76  -8.455  -5.143  -5.143
  548   1HG   ARG   2          2HG       ARG  76  -8.494  -5.295  -5.295
  549   2HG   ARG   2          1HG       ARG  76  -9.521  -6.619  -6.619
  550   1HD   ARG   2          2HD       ARG  76  -7.761  -7.527  -7.527
  551   2HD   ARG   2          1HD       ARG  76  -6.756  -6.084  -6.084
  552    HE   ARG   2           HE       ARG  76  -7.028  -8.263  -8.263
  553   1HH1  ARG   2          1HH2      ARG  76  -8.130  -6.246  -6.246
  554   2HH1  ARG   2          2HH2      ARG  76  -6.744  -5.415  -5.415
  555   1HH2  ARG   2          2HH1      ARG  76  -4.602  -6.593  -6.593
  556   2HH2  ARG   2          1HH1      ARG  76  -4.746  -5.611  -5.611
  557    H    TYR   3           H        TYR  77  -7.265  -2.278  -2.278
  558    HA   TYR   3           HA       TYR  77  -8.302  -0.966  -0.966
  559   1HB   TYR   3          2HB       TYR  77  -5.596  -0.263  -0.263
  560   2HB   TYR   3          1HB       TYR  77  -6.971   0.800   0.800
  561    HD1  TYR   3           HD1      TYR  77  -8.547   1.331   1.331
  562    HD2  TYR   3           HD2      TYR  77  -5.167  -1.241  -1.241
  563    HE1  TYR   3           HE1      TYR  77  -8.857   1.543   1.543
  564    HE2  TYR   3           HE2      TYR  77  -5.482  -1.029  -1.029
  565    HH   TYR   3           HH       TYR  77  -6.782  -0.251  -0.251
  566    H    TYR   4           H        TYR  78  -8.012  -3.578  -3.578
  567    HA   TYR   4           HA       TYR  78  -5.445  -4.690  -4.690
  568   1HB   TYR   4          2HB       TYR  78  -8.211  -5.364  -5.364
  569   2HB   TYR   4          1HB       TYR  78  -7.520  -5.883  -5.883
  570    HD1  TYR   4           HD2      TYR  78  -5.910  -5.681  -5.681
  571    HD2  TYR   4           HD1      TYR  78  -7.317  -8.206  -8.206
  572    HE1  TYR   4           HE2      TYR  78  -4.902  -7.652  -7.652
  573    HE2  TYR   4           HE1      TYR  78  -6.311 -10.177 -10.177
  574    HH   TYR   4           HH       TYR  78  -4.614 -10.709 -10.709
  575    H    GLU   5           H        GLU  79  -5.481  -5.875  -5.875
  576    HA   GLU   5           HA       GLU  79  -4.989  -3.710  -3.710
  577   1HB   GLU   5          2HB       GLU  79  -3.786  -5.573  -5.573
  578   2HB   GLU   5          1HB       GLU  79  -3.209  -5.315  -5.315
  579   1HG   GLU   5          2HG       GLU  79  -3.813  -7.399  -7.399
  580   2HG   GLU   5          1HG       GLU  79  -5.444  -7.161  -7.161
  581    H    SER   6           H        SER  80  -7.685  -4.941  -4.941
  582    HA   SER   6           HA       SER  80  -8.781  -5.143  -5.143
  583   1HB   SER   6          2HB       SER  80  -7.902  -7.438  -7.438
  584   2HB   SER   6          1HB       SER  80  -9.646  -7.428  -7.428
  585    HG   SER   6           HG       SER  80  -8.570  -6.888  -6.888
  586    H    SER   7           H        SER  81  -9.053  -3.406  -3.406
  587    HA   SER   7           HA       SER  81 -11.774  -2.827  -2.827
  588   1HB   SER   7          2HB       SER  81 -11.090  -5.303  -5.303
  589   2HB   SER   7          1HB       SER  81 -11.721  -4.146  -4.146
  590    HG   SER   7           HG       SER  81 -12.935  -5.297  -5.297
  591    H    LEU   8           H        LEU  82 -10.888  -0.733  -0.733
  592    HA   LEU   8           HA       LEU  82  -9.278  -0.321  -0.321
  593   1HB   LEU   8          2HB       LEU  82  -8.287   0.657   0.657
  594   2HB   LEU   8          1HB       LEU  82  -9.836   1.195   1.195
  595    HG   LEU   8           HG       LEU  82  -9.967   3.011   3.011
  596   1HD1  LEU   8          2HD1      LEU  82  -8.350   1.249   1.249
  597   2HD1  LEU   8          1HD1      LEU  82  -8.029   2.976   2.976
  598   3HD1  LEU   8          3HD1      LEU  82  -9.658   2.356   2.356
  599   1HD2  LEU   8          1HD2      LEU  82  -7.186   2.427   2.427
  600   2HD2  LEU   8          3HD2      LEU  82  -8.268   3.736   3.736
  601   3HD2  LEU   8          2HD2      LEU  82  -7.431   3.802   3.802
  602    H    LYS   9           H        LYS  83 -11.146  -0.615  -0.615
  603    HA   LYS   9           HA       LYS  83 -12.443   1.874   1.874
  604   1HB   LYS   9          2HB       LYS  83 -13.641   0.228   0.228
  605   2HB   LYS   9          1HB       LYS  83 -14.642   0.115   0.115
  606   1HG   LYS   9          2HG       LYS  83 -14.599   2.627   2.627
  607   2HG   LYS   9          1HG       LYS  83 -13.788   2.644   2.644
  608   1HD   LYS   9          2HD       LYS  83 -16.077   0.919   0.919
  609   2HD   LYS   9          1HD       LYS  83 -16.580   2.471   2.471
  610   1HE   LYS   9          2HE       LYS  83 -15.951   3.657   3.657
  611   2HE   LYS   9          1HE       LYS  83 -14.766   2.430   2.430
  612   1HZ   LYS   9          3HZ       LYS  83 -16.862   0.913   0.913
  613   2HZ   LYS   9          2HZ       LYS  83 -17.696   2.381   2.381
  614   3HZ   LYS   9          1HZ       LYS  83 -16.516   1.914   1.914
  615    H    SER  10           H        SER  84 -13.598   1.637   1.637
  616    HA   SER  10           HA       SER  84 -12.690  -0.627  -0.627
  617   1HB   SER  10          2HB       SER  84 -14.610   1.650   1.650
  618   2HB   SER  10          1HB       SER  84 -13.826   0.626   0.626
  619    HG   SER  10           HG       SER  84 -12.258   1.966   1.966
  620    H    TYR  11           H        TYR  85 -13.871  -2.268  -2.268
  621    HA   TYR  11           HA       TYR  85 -16.751  -2.344  -2.344
  622   1HB   TYR  11          2HB       TYR  85 -14.741  -4.608  -4.608
  623   2HB   TYR  11          1HB       TYR  85 -16.346  -4.561  -4.561
  624    HD1  TYR  11           HD1      TYR  85 -16.828  -2.695  -2.695
  625    HD2  TYR  11           HD2      TYR  85 -12.864  -3.786  -3.786
  626    HE1  TYR  11           HE1      TYR  85 -15.888  -1.627  -1.627
  627    HE2  TYR  11           HE2      TYR  85 -11.929  -2.715  -2.715
  628    HH   TYR  11           HH       TYR  85 -12.551  -1.007  -1.007
  629    HA   PRO  12           HA       PRO  86 -17.230  -3.641  -3.641
  630   1HB   PRO  12          2HB       PRO  86 -19.960  -3.833  -3.833
  631   2HB   PRO  12          1HB       PRO  86 -19.103  -2.285  -2.285
  632   1HG   PRO  12          2HG       PRO  86 -20.342  -3.545  -3.545
  633   2HG   PRO  12          1HG       PRO  86 -20.311  -1.845  -1.845
  634   1HD   PRO  12          2HD       PRO  86 -18.682  -2.882  -2.882
  635   2HD   PRO  12          1HD       PRO  86 -18.247  -1.479  -1.479
  636    H    ASP  13           HN       ASP  87 -19.305  -5.184  -5.184
  637    HA   ASP  13           HA       ASP  87 -18.981  -7.796  -7.796
  638   1HB   ASP  13          2HB       ASP  87 -20.816  -6.616  -6.616
  639   2HB   ASP  13          1HB       ASP  87 -20.741  -8.363  -8.363

  Start of MODEL    7
    1   1H    ILE   1          3H        ILE   1   8.760  14.682  14.682
    2   2H    ILE   1          2H        ILE   1   9.262  15.260  15.260
    3   3H    ILE   1          1H        ILE   1   8.460  16.294  16.294
    4    HA   ILE   1           HA       ILE   1   6.680  15.782  15.782
    5    HB   ILE   1           HB       ILE   1   6.671  13.507  13.507
    6   1HG1  ILE   1          2HG1      ILE   1   9.569  13.243  13.243
    7   2HG1  ILE   1          1HG1      ILE   1   8.521  12.849  12.849
    8   1HG2  ILE   1          1HG2      ILE   1   7.565  15.685  15.685
    9   2HG2  ILE   1          3HG2      ILE   1   9.173  15.141  15.141
   10   3HG2  ILE   1          2HG2      ILE   1   8.244  14.216  14.216
   11   1HD1  ILE   1          1HD1      ILE   1   7.167  11.494  11.494
   12   2HD1  ILE   1          3HD1      ILE   1   8.688  11.542  11.542
   13   3HD1  ILE   1          2HD1      ILE   1   8.624  10.796  10.796
   14    H    VAL   2           H        VAL   2   4.868  13.925  13.925
   15    HA   VAL   2           HA       VAL   2   4.827  12.920  12.920
   16    HB   VAL   2           HB       VAL   2   2.440  13.740  13.740
   17   1HG1  VAL   2          1HG1      VAL   2   2.546  12.435  12.435
   18   2HG1  VAL   2          3HG1      VAL   2   2.615  14.096  14.096
   19   3HG1  VAL   2          2HG1      VAL   2   1.257  13.567  13.567
   20   1HG2  VAL   2          2HG2      VAL   2   4.339  15.438  15.438
   21   2HG2  VAL   2          1HG2      VAL   2   3.712  15.737  15.737
   22   3HG2  VAL   2          3HG2      VAL   2   2.655  15.914  15.914
   23    H    CYS   3           H        CYS   3   3.580  10.943  10.943
   24    HA   CYS   3           HA       CYS   3   3.135   9.356   9.356
   25   1HB   CYS   3          2HB       CYS   3   4.285   8.278   8.278
   26   2HB   CYS   3          1HB       CYS   3   4.334   7.568   7.568
   27    H    HIS   4           H        HIS   4   1.576   7.548   7.548
   28    HA   HIS   4           HA       HIS   4  -0.501   8.266   8.266
   29   1HB   HIS   4          2HB       HIS   4  -0.629   6.129   6.129
   30   2HB   HIS   4          1HB       HIS   4  -1.952   7.005   7.005
   31    HD1  HIS   4           HD1      HIS   4  -1.155   9.859   9.859
   32    HD2  HIS   4           HD2      HIS   4  -0.646   7.015   7.015
   33    HE1  HIS   4           HE1      HIS   4  -1.016  11.140  11.140
   34    H    THR   5           H        THR   5  -1.375   6.662   6.662
   35    HA   THR   5           HA       THR   5   0.451   4.297   4.297
   36    HB   THR   5           HB       THR   5   0.583   4.668   4.668
   37    HG1  THR   5           HG1      THR   5  -1.577   4.299   4.299
   38   1HG2  THR   5          3HG2      THR   5   0.943   6.954   6.954
   39   2HG2  THR   5          2HG2      THR   5  -0.449   7.450   7.450
   40   3HG2  THR   5          1HG2      THR   5   1.023   6.895   6.895
   41    H    THR   6           H        THR   6  -0.640   2.658   2.658
   42    HA   THR   6           HA       THR   6  -3.573   2.395   2.395
   43    HB   THR   6           HB       THR   6  -2.579   0.100   0.100
   44    HG1  THR   6           HG1      THR   6  -0.493   1.118   1.118
   45   1HG2  THR   6          2HG2      THR   6  -4.437   1.552   1.552
   46   2HG2  THR   6          1HG2      THR   6  -3.248   2.712   2.712
   47   3HG2  THR   6          3HG2      THR   6  -3.338   1.099   1.099
   48    H    ALA   7           H        ALA   7  -0.590   1.489   1.489
   49    HA   ALA   7           HA       ALA   7  -1.654  -0.921  -0.921
   50   1HB   ALA   7          2HB       ALA   7   0.930   0.418   0.418
   51   2HB   ALA   7          1HB       ALA   7   0.840  -0.513  -0.513
   52   3HB   ALA   7          3HB       ALA   7   0.527  -1.304  -1.304
   53    H    THR   8           H        THR   8  -1.012   2.431   2.431
   54    HA   THR   8           HA       THR   8  -1.495   1.837   1.837
   55    HB   THR   8           HB       THR   8  -1.023   4.506   4.506
   56    HG1  THR   8           HG1      THR   8   0.041   5.020   5.020
   57   1HG2  THR   8          3HG2      THR   8   0.855   2.155   2.155
   58   2HG2  THR   8          2HG2      THR   8   1.478   3.803   3.803
   59   3HG2  THR   8          1HG2      THR   8   0.378   3.206   3.206
   60    H    SER   9           H        SER   9  -2.383   4.880   4.880
   61    HA   SER   9           HA       SER   9  -5.077   4.775   4.775
   62   1HB   SER   9          2HB       SER   9  -5.030   6.988   6.988
   63   2HB   SER   9          1HB       SER   9  -3.307   6.681   6.681
   64    HG   SER   9           HG       SER   9  -3.621   7.118   7.118
   65    HA   PRO  10           HA       PRO  10  -7.252   3.125   3.125
   66   1HB   PRO  10          2HB       PRO  10  -8.730   5.102   5.102
   67   2HB   PRO  10          1HB       PRO  10  -9.163   4.365   4.365
   68   1HG   PRO  10          2HG       PRO  10  -7.839   6.967   6.967
   69   2HG   PRO  10          1HG       PRO  10  -9.045   6.542   6.542
   70   1HD   PRO  10          2HD       PRO  10  -6.403   6.803   6.803
   71   2HD   PRO  10          1HD       PRO  10  -7.480   5.724   5.724
   72    H    ILE  11           H        ILE  11  -6.481   6.338   6.338
   73    HA   ILE  11           HA       ILE  11  -4.341   5.615   5.615
   74    HB   ILE  11           HB       ILE  11  -6.914   4.799   4.799
   75   1HG1  ILE  11          2HG1      ILE  11  -4.076   4.741   4.741
   76   2HG1  ILE  11          1HG1      ILE  11  -5.186   3.401   3.401
   77   1HG2  ILE  11          3HG2      ILE  11  -5.743   7.017   7.017
   78   2HG2  ILE  11          2HG2      ILE  11  -6.957   5.875   5.875
   79   3HG2  ILE  11          1HG2      ILE  11  -7.345   6.986   6.986
   80   1HD1  ILE  11          1HD1      ILE  11  -6.381   4.330   4.330
   81   2HD1  ILE  11          3HD1      ILE  11  -4.796   5.042   5.042
   82   3HD1  ILE  11          2HD1      ILE  11  -4.961   3.293   3.293
   83    H    SER  12           H        SER  12  -3.395   7.488   7.488
   84    HA   SER  12           HA       SER  12  -4.550   9.954   9.954
   85   1HB   SER  12          2HB       SER  12  -4.940  11.034  11.034
   86   2HB   SER  12          1HB       SER  12  -5.313   9.381   9.381
   87    HG   SER  12           HG       SER  12  -3.500  10.955  10.955
   88    H    ALA  13           H        ALA  13  -2.869  11.496  11.496
   89    HA   ALA  13           HA       ALA  13  -0.182  10.327  10.327
   90   1HB   ALA  13          1HB       ALA  13  -1.670  12.267  12.267
   91   2HB   ALA  13          3HB       ALA  13  -0.115  12.936  12.936
   92   3HB   ALA  13          2HB       ALA  13  -0.176  11.432  11.432
   93    H    VAL  14           H        VAL  14   0.759  10.515  10.515
   94    HA   VAL  14           HA       VAL  14   0.648  13.208  13.208
   95    HB   VAL  14           HB       VAL  14   0.926  12.126  12.126
   96   1HG1  VAL  14          3HG1      VAL  14  -1.053  11.224  11.224
   97   2HG1  VAL  14          2HG1      VAL  14  -0.159   9.708   9.708
   98   3HG1  VAL  14          1HG1      VAL  14  -0.716  10.512  10.512
   99   1HG2  VAL  14          3HG2      VAL  14   3.069  11.050  11.050
  100   2HG2  VAL  14          2HG2      VAL  14   2.023   9.937   9.937
  101   3HG2  VAL  14          1HG2      VAL  14   2.182   9.787   9.787
  102    H    THR  15           H        THR  15   2.543  14.291  14.291
  103    HA   THR  15           HA       THR  15   4.730  13.907  13.907
  104    HB   THR  15           HB       THR  15   4.866  15.140  15.140
  105    HG1  THR  15           HG1      THR  15   3.730  16.825  16.825
  106   1HG2  THR  15          1HG2      THR  15   6.452  15.168  15.168
  107   2HG2  THR  15          3HG2      THR  15   6.029  16.795  16.795
  108   3HG2  THR  15          2HG2      THR  15   6.893  15.706  15.706
  109    H    CYS  16           H        CYS  16   6.905  13.114  13.114
  110    HA   CYS  16           HA       CYS  16   7.193  11.385  11.385
  111   1HB   CYS  16          2HB       CYS  16   6.964  10.638  10.638
  112   2HB   CYS  16          1HB       CYS  16   8.242   9.824   9.824
  113    HA   PRO  17           HA       PRO  17  11.082  13.558  13.558
  114   1HB   PRO  17          2HB       PRO  17  11.068  15.446  15.446
  115   2HB   PRO  17          1HB       PRO  17  10.250  15.655  15.655
  116   1HG   PRO  17          2HG       PRO  17   9.098  15.270  15.270
  117   2HG   PRO  17          1HG       PRO  17   8.320  15.799  15.799
  118   1HD   PRO  17          2HD       PRO  17   8.328  13.160  13.160
  119   2HD   PRO  17          1HD       PRO  17   7.355  13.762  13.762
  120    HA   PRO  18           HA       PRO  18  12.374  11.984  11.984
  121   1HB   PRO  18          2HB       PRO  18  11.703   9.354   9.354
  122   2HB   PRO  18          1HB       PRO  18  10.675  10.680  10.680
  123   1HG   PRO  18          2HG       PRO  18  10.351   8.927   8.927
  124   2HG   PRO  18          1HG       PRO  18   9.131   9.759   9.759
  125   1HD   PRO  18          2HD       PRO  18  10.086  10.544  10.544
  126   2HD   PRO  18          1HD       PRO  18   9.097  11.518  11.518
  127    H    GLY  19           H        GLY  19  12.215   8.835   8.835
  128   1HA   GLY  19          2HA       GLY  19  15.073   9.158   9.158
  129   2HA   GLY  19          1HA       GLY  19  14.368   7.624   7.624
  130    H    GLU  20           H        GLU  20  11.862   8.088   8.088
  131    HA   GLU  20           HA       GLU  20  12.596   6.950   6.950
  132   1HB   GLU  20          2HB       GLU  20  10.075   8.026   8.026
  133   2HB   GLU  20          1HB       GLU  20  10.077   7.274   7.274
  134   1HG   GLU  20          2HG       GLU  20   9.637   5.433   5.433
  135   2HG   GLU  20          1HG       GLU  20  11.394   5.354   5.354
  136    H    ASN  21           H        ASN  21  13.513   8.208   8.208
  137    HA   ASN  21           HA       ASN  21  12.940  11.095  11.095
  138   1HB   ASN  21          2HB       ASN  21  14.618   9.371   9.371
  139   2HB   ASN  21          1HB       ASN  21  14.804  11.089  11.089
  140   1HD2  ASN  21          2HD2      ASN  21  15.698   9.793   9.793
  141   2HD2  ASN  21          1HD2      ASN  21  14.198  10.353  10.353
  142    H    LEU  22           H        LEU  22  11.679   8.206   8.206
  143    HA   LEU  22           HA       LEU  22  10.187   9.828   9.828
  144   1HB   LEU  22          2HB       LEU  22  10.794   8.258   8.258
  145   2HB   LEU  22          1HB       LEU  22  12.277   8.806   8.806
  146    HG   LEU  22           HG       LEU  22  11.477   6.599   6.599
  147   1HD1  LEU  22          3HD1      LEU  22  10.144   6.397   6.397
  148   2HD1  LEU  22          2HD1      LEU  22  11.587   5.413   5.413
  149   3HD1  LEU  22          1HD1      LEU  22  10.492   5.055   5.055
  150   1HD2  LEU  22          3HD2      LEU  22  13.697   7.506   7.506
  151   2HD2  LEU  22          2HD2      LEU  22  13.658   6.144   6.144
  152   3HD2  LEU  22          1HD2      LEU  22  13.360   5.881   5.881
  153    H    CYS  23           H        CYS  23   8.509   8.185   8.185
  154    HA   CYS  23           HA       CYS  23   7.139   6.794   6.794
  155   1HB   CYS  23          2HB       CYS  23   6.125   7.397   7.397
  156   2HB   CYS  23          1HB       CYS  23   5.182   7.086   7.086
  157    H    TYR  24           H        TYR  24   5.948   4.725   4.725
  158    HA   TYR  24           HA       TYR  24   7.369   3.277   3.277
  159   1HB   TYR  24          2HB       TYR  24   8.267   1.626   1.626
  160   2HB   TYR  24          1HB       TYR  24   8.626   3.153   3.153
  161    HD1  TYR  24           HD1      TYR  24   6.378   0.223   0.223
  162    HD2  TYR  24           HD2      TYR  24   7.573   3.749   3.749
  163    HE1  TYR  24           HE1      TYR  24   5.086  -0.530  -0.530
  164    HE2  TYR  24           HE2      TYR  24   6.290   3.015   3.015
  165    HH   TYR  24           HH       TYR  24   5.507   0.428   0.428
  166    H    ARG  25           H        ARG  25   6.147   1.571   1.571
  167    HA   ARG  25           HA       ARG  25   3.449   1.243   1.243
  168   1HB   ARG  25          2HB       ARG  25   4.347   0.670   0.670
  169   2HB   ARG  25          1HB       ARG  25   2.687   0.729   0.729
  170   1HG   ARG  25          2HG       ARG  25   3.205   3.154   3.154
  171   2HG   ARG  25          1HG       ARG  25   4.639   3.010   3.010
  172   1HD   ARG  25          2HD       ARG  25   1.777   2.565   2.565
  173   2HD   ARG  25          1HD       ARG  25   2.785   3.977   3.977
  174    HE   ARG  25           HE       ARG  25   4.055   1.420   1.420
  175   1HH1  ARG  25          2HH1      ARG  25   1.317   2.963   2.963
  176   2HH1  ARG  25          1HH1      ARG  25   1.893   3.149   3.149
  177   1HH2  ARG  25          1HH2      ARG  25   5.112   2.092   2.092
  178   2HH2  ARG  25          2HH2      ARG  25   4.041   2.656   2.656
  179    H    LYS  26           H        LYS  26   3.224  -0.747  -0.747
  180    HA   LYS  26           HA       LYS  26   4.981  -2.978  -2.978
  181   1HB   LYS  26          2HB       LYS  26   4.307  -1.891  -1.891
  182   2HB   LYS  26          1HB       LYS  26   3.748  -3.556  -3.556
  183   1HG   LYS  26          2HG       LYS  26   5.980  -4.280  -4.280
  184   2HG   LYS  26          1HG       LYS  26   6.548  -2.611  -2.611
  185   1HD   LYS  26          2HD       LYS  26   5.256  -3.324  -3.324
  186   2HD   LYS  26          1HD       LYS  26   6.535  -4.480  -4.480
  187   1HE   LYS  26          2HE       LYS  26   8.208  -2.878  -2.878
  188   2HE   LYS  26          1HE       LYS  26   7.123  -1.559  -1.559
  189   1HZ   LYS  26          2HZ       LYS  26   5.894  -2.246  -2.246
  190   2HZ   LYS  26          1HZ       LYS  26   7.420  -2.849  -2.849
  191   3HZ   LYS  26          3HZ       LYS  26   7.235  -1.205  -1.205
  192    H    MET  27           H        MET  27   3.937  -5.153  -5.153
  193    HA   MET  27           HA       MET  27   1.024  -5.294  -5.294
  194   1HB   MET  27          2HB       MET  27   2.612  -5.021  -5.021
  195   2HB   MET  27          1HB       MET  27   1.977  -6.665  -6.665
  196   1HG   MET  27          2HG       MET  27  -0.289  -5.861  -5.861
  197   2HG   MET  27          1HG       MET  27   0.267  -4.200  -4.200
  198   1HE   MET  27          1HE       MET  27   0.258  -2.756  -2.756
  199   2HE   MET  27          3HE       MET  27   1.217  -2.688  -2.688
  200   3HE   MET  27          2HE       MET  27  -0.540  -2.800  -2.800
  201    H    TRP  28           H        TRP  28   0.447  -7.078  -7.078
  202    HA   TRP  28           HA       TRP  28   2.110  -9.493  -9.493
  203   1HB   TRP  28          2HB       TRP  28   2.250  -9.484  -9.484
  204   2HB   TRP  28          1HB       TRP  28   3.278  -8.340  -8.340
  205    HD1  TRP  28           HD1      TRP  28  -0.505  -7.913  -7.913
  206    HE1  TRP  28           HE1      TRP  28  -0.756  -5.782  -5.782
  207    HE3  TRP  28           HE3      TRP  28   4.357  -6.788  -6.788
  208    HZ2  TRP  28           HZ2      TRP  28   0.936  -3.850  -3.850
  209    HZ3  TRP  28           HZ3      TRP  28   5.067  -4.799  -4.799
  210    HH2  TRP  28           HH2      TRP  28   3.353  -3.330  -3.330
  211    H    CYS  29           H        CYS  29   1.196 -11.026 -11.026
  212    HA   CYS  29           HA       CYS  29  -1.738 -11.212 -11.212
  213   1HB   CYS  29          2HB       CYS  29   0.473 -13.067 -13.067
  214   2HB   CYS  29          1HB       CYS  29  -1.214 -13.556 -13.556
  215    H    ASP  30           H        ASP  30  -3.240 -11.116 -11.116
  216    HA   ASP  30           HA       ASP  30  -2.145 -10.286 -10.286
  217   1HB   ASP  30          2HB       ASP  30  -3.763  -8.845  -8.845
  218   2HB   ASP  30          1HB       ASP  30  -4.917 -10.175 -10.175
  219    H    ALA  31           H        ALA  31  -5.338 -11.675 -11.675
  220    HA   ALA  31           HA       ALA  31  -5.268 -13.337 -13.337
  221   1HB   ALA  31          3HB       ALA  31  -6.619 -13.460 -13.460
  222   2HB   ALA  31          2HB       ALA  31  -6.859 -14.787 -14.787
  223   3HB   ALA  31          1HB       ALA  31  -7.321 -13.146 -13.146
  224    H    PHE  32           H        PHE  32  -5.375 -15.242 -15.242
  225    HA   PHE  32           HA       PHE  32  -2.866 -16.651 -16.651
  226   1HB   PHE  32          2HB       PHE  32  -5.499 -17.793 -17.793
  227   2HB   PHE  32          1HB       PHE  32  -4.067 -18.742 -18.742
  228    HD1  PHE  32           HD2      PHE  32  -3.014 -18.045 -18.045
  229    HD2  PHE  32           HD1      PHE  32  -7.133 -17.669 -17.669
  230    HE1  PHE  32           HE2      PHE  32  -3.689 -18.069 -18.069
  231    HE2  PHE  32           HE1      PHE  32  -7.807 -17.692 -17.692
  232    HZ   PHE  32           HZ       PHE  32  -6.086 -17.892 -17.892
  233    H    CYS  33           H        CYS  33  -2.958 -14.623 -14.623
  234    HA   CYS  33           HA       CYS  33  -2.523 -14.279 -14.279
  235   1HB   CYS  33          2HB       CYS  33  -0.580 -15.576 -15.576
  236   2HB   CYS  33          1HB       CYS  33  -1.189 -16.976 -16.976
  237    H    SER  34           H        SER  34  -5.064 -15.081 -15.081
  238    HA   SER  34           HA       SER  34  -5.360 -16.659 -16.659
  239   1HB   SER  34          2HB       SER  34  -4.894 -18.134 -18.134
  240   2HB   SER  34          1HB       SER  34  -6.651 -18.024 -18.024
  241    HG   SER  34           HG       SER  34  -6.479 -19.630 -19.630
  242    H    SER  35           H        SER  35  -6.358 -14.139 -14.139
  243    HA   SER  35           HA       SER  35  -9.288 -14.674 -14.674
  244   1HB   SER  35          2HB       SER  35  -7.655 -13.266 -13.266
  245   2HB   SER  35          1HB       SER  35  -8.133 -11.983 -11.983
  246    HG   SER  35           HG       SER  35  -9.551 -13.197 -13.197
  247    H    ARG  36           H        ARG  36  -7.320 -11.931 -11.931
  248    HA   ARG  36           HA       ARG  36  -8.587 -12.125 -12.125
  249   1HB   ARG  36          2HB       ARG  36  -9.108 -10.126 -10.126
  250   2HB   ARG  36          1HB       ARG  36  -8.888  -9.471  -9.471
  251   1HG   ARG  36          2HG       ARG  36 -10.715 -11.818 -11.818
  252   2HG   ARG  36          1HG       ARG  36 -11.285 -10.169 -10.169
  253   1HD   ARG  36          2HD       ARG  36 -11.108  -9.613  -9.613
  254   2HD   ARG  36          1HD       ARG  36  -9.871 -10.850 -10.850
  255    HE   ARG  36           HE       ARG  36 -12.323 -12.080 -12.080
  256   1HH1  ARG  36          1HH2      ARG  36 -10.419 -11.069 -11.069
  257   2HH1  ARG  36          2HH2      ARG  36 -11.511 -11.679 -11.679
  258   1HH2  ARG  36          2HH1      ARG  36 -13.913 -12.655 -12.655
  259   2HH2  ARG  36          1HH1      ARG  36 -13.487 -12.577 -12.577
  260    H    GLY  37           H        GLY  37  -5.962 -12.697 -12.697
  261   1HA   GLY  37          2HA       GLY  37  -3.899 -12.081 -12.081
  262   2HA   GLY  37          1HA       GLY  37  -4.593 -10.503 -10.503
  263    H    LYS  38           H        LYS  38  -2.516  -9.628  -9.628
  264    HA   LYS  38           HA       LYS  38  -2.214  -9.827  -9.827
  265   1HB   LYS  38          2HB       LYS  38  -0.369  -7.982  -7.982
  266   2HB   LYS  38          1HB       LYS  38  -0.018  -9.520  -9.520
  267   1HG   LYS  38          2HG       LYS  38  -0.554 -10.674 -10.674
  268   2HG   LYS  38          1HG       LYS  38  -0.809  -9.104  -9.104
  269   1HD   LYS  38          2HD       LYS  38   1.427  -8.606  -8.606
  270   2HD   LYS  38          1HD       LYS  38   1.748  -9.460  -9.460
  271   1HE   LYS  38          2HE       LYS  38   0.885 -11.352 -11.352
  272   2HE   LYS  38          1HE       LYS  38   2.263 -10.408 -10.408
  273   1HZ   LYS  38          1HZ       LYS  38   2.292 -11.328 -11.328
  274   2HZ   LYS  38          3HZ       LYS  38   2.646 -12.455 -12.455
  275   3HZ   LYS  38          2HZ       LYS  38   3.592 -11.052 -11.052
  276    H    VAL  39           H        VAL  39  -2.271  -7.806  -7.806
  277    HA   VAL  39           HA       VAL  39  -4.359  -5.989  -5.989
  278    HB   VAL  39           HB       VAL  39  -2.250  -5.362  -5.362
  279   1HG1  VAL  39          1HG1      VAL  39  -4.757  -4.319  -4.319
  280   2HG1  VAL  39          3HG1      VAL  39  -5.046  -5.280  -5.280
  281   3HG1  VAL  39          2HG1      VAL  39  -3.837  -3.996  -3.996
  282   1HG2  VAL  39          2HG2      VAL  39  -3.980  -7.772  -7.772
  283   2HG2  VAL  39          1HG2      VAL  39  -2.463  -7.498  -7.498
  284   3HG2  VAL  39          3HG2      VAL  39  -3.974  -6.879  -6.879
  285    H    VAL  40           H        VAL  40  -2.897  -3.592  -3.592
  286    HA   VAL  40           HA       VAL  40  -0.741  -3.134  -3.134
  287    HB   VAL  40           HB       VAL  40  -3.487  -1.853  -1.853
  288   1HG1  VAL  40          3HG1      VAL  40  -0.969  -0.581  -0.581
  289   2HG1  VAL  40          2HG1      VAL  40  -1.609  -0.811  -0.811
  290   3HG1  VAL  40          1HG1      VAL  40  -2.552   0.068   0.068
  291   1HG2  VAL  40          2HG2      VAL  40  -1.823  -3.665  -3.665
  292   2HG2  VAL  40          1HG2      VAL  40  -3.579  -3.544  -3.544
  293   3HG2  VAL  40          3HG2      VAL  40  -2.681  -2.385  -2.385
  294    H    GLU  41           H        GLU  41   0.408  -2.758  -2.758
  295    HA   GLU  41           HA       GLU  41  -0.579  -0.526  -0.526
  296   1HB   GLU  41          2HB       GLU  41   1.449  -2.664  -2.664
  297   2HB   GLU  41          1HB       GLU  41   0.502  -1.680  -1.680
  298   1HG   GLU  41          2HG       GLU  41  -0.630  -3.740  -3.740
  299   2HG   GLU  41          1HG       GLU  41  -0.453  -3.943  -3.943
  300    H    LEU  42           H        LEU  42   0.387   1.257   1.257
  301    HA   LEU  42           HA       LEU  42   3.316   1.219   1.219
  302   1HB   LEU  42          2HB       LEU  42   1.794   3.734   3.734
  303   2HB   LEU  42          1HB       LEU  42   2.866   2.934   2.934
  304    HG   LEU  42           HG       LEU  42   0.778   1.205   1.205
  305   1HD1  LEU  42          3HD1      LEU  42  -0.160   3.669   3.669
  306   2HD1  LEU  42          2HD1      LEU  42  -1.032   3.325   3.325
  307   3HD1  LEU  42          1HD1      LEU  42  -1.003   2.131   2.131
  308   1HD2  LEU  42          2HD2      LEU  42   1.463   3.675   3.675
  309   2HD2  LEU  42          1HD2      LEU  42   1.531   1.989   1.989
  310   3HD2  LEU  42          3HD2      LEU  42  -0.023   2.811   2.811
  311    H    GLY  43           H        GLY  43   3.935   3.868   3.868
  312   1HA   GLY  43          2HA       GLY  43   3.111   5.149   5.149
  313   2HA   GLY  43          1HA       GLY  43   3.959   3.774   3.774
  314    H    CYS  44           H        CYS  44   5.790   4.801   4.801
  315    HA   CYS  44           HA       CYS  44   7.397   6.429   6.429
  316   1HB   CYS  44          2HB       CYS  44   7.498   6.412   6.412
  317   2HB   CYS  44          1HB       CYS  44   8.138   7.629   7.629
  318    H    ALA  45           H        ALA  45   9.766   6.193   6.193
  319    HA   ALA  45           HA       ALA  45  10.843   3.983   3.983
  320   1HB   ALA  45          3HB       ALA  45   9.575   3.159   3.159
  321   2HB   ALA  45          2HB       ALA  45  11.073   3.654   3.654
  322   3HB   ALA  45          1HB       ALA  45  11.105   2.421   2.421
  323    H    ALA  46           H        ALA  46  13.068   4.245   4.245
  324    HA   ALA  46           HA       ALA  46  14.281   6.714   6.714
  325   1HB   ALA  46          1HB       ALA  46  14.743   4.759   4.759
  326   2HB   ALA  46          3HB       ALA  46  15.978   4.358   4.358
  327   3HB   ALA  46          2HB       ALA  46  15.957   5.957   5.957
  328    H    THR  47           H        THR  47  14.187   3.510   3.510
  329    HA   THR  47           HA       THR  47  15.165   4.532   4.532
  330    HB   THR  47           HB       THR  47  17.095   2.668   2.668
  331    HG1  THR  47           HG1      THR  47  17.847   3.277   3.277
  332   1HG2  THR  47          1HG2      THR  47  16.922   5.491   5.491
  333   2HG2  THR  47          3HG2      THR  47  18.038   5.050   5.050
  334   3HG2  THR  47          2HG2      THR  47  18.341   4.508   4.508
  335    H    CYS  48           H        CYS  48  14.756   3.007   3.007
  336    HA   CYS  48           HA       CYS  48  12.656   1.231   1.231
  337   1HB   CYS  48          2HB       CYS  48  14.876   1.808   1.808
  338   2HB   CYS  48          1HB       CYS  48  14.566   0.072   0.072
  339    HA   PRO  49           HA       PRO  49  14.603  -1.758  -1.758
  340   1HB   PRO  49          2HB       PRO  49  12.244  -2.862  -2.862
  341   2HB   PRO  49          1HB       PRO  49  12.905  -1.362  -1.362
  342   1HG   PRO  49          2HG       PRO  49  10.723  -1.742  -1.742
  343   2HG   PRO  49          1HG       PRO  49  10.891  -0.534  -0.534
  344   1HD   PRO  49          2HD       PRO  49  11.377  -0.056  -0.056
  345   2HD   PRO  49          1HD       PRO  49  12.065   0.891   0.891
  346    H    SER  50           H        SER  50  15.017  -3.978  -3.978
  347    HA   SER  50           HA       SER  50  14.115  -5.052  -5.052
  348   1HB   SER  50          2HB       SER  50  15.909  -6.240  -6.240
  349   2HB   SER  50          1HB       SER  50  15.841  -6.704  -6.704
  350    HG   SER  50           HG       SER  50  17.569  -5.234  -5.234
  351    H    LYS  51           H        LYS  51  13.780  -7.643  -7.643
  352    HA   LYS  51           HA       LYS  51  11.904  -8.238  -8.238
  353   1HB   LYS  51          2HB       LYS  51  10.234  -8.981  -8.981
  354   2HB   LYS  51          1HB       LYS  51  10.682  -7.308  -7.308
  355   1HG   LYS  51          2HG       LYS  51  12.501  -8.445  -8.445
  356   2HG   LYS  51          1HG       LYS  51  11.366  -9.795  -9.795
  357   1HD   LYS  51          2HD       LYS  51  10.629  -8.547  -8.547
  358   2HD   LYS  51          1HD       LYS  51   9.571  -7.984  -7.984
  359   1HE   LYS  51          2HE       LYS  51  10.557  -5.900  -5.900
  360   2HE   LYS  51          1HE       LYS  51  12.157  -6.529  -6.529
  361   1HZ   LYS  51          1HZ       LYS  51   9.942  -6.738  -6.738
  362   2HZ   LYS  51          3HZ       LYS  51  10.746  -5.253  -5.253
  363   3HZ   LYS  51          2HZ       LYS  51  11.613  -6.642  -6.642
  364    H    LYS  52           H        LYS  52  11.073 -10.726 -10.726
  365    HA   LYS  52           HA       LYS  52  13.317 -12.327 -12.327
  366   1HB   LYS  52          2HB       LYS  52  12.940 -11.719 -11.719
  367   2HB   LYS  52          1HB       LYS  52  12.879 -13.459 -13.459
  368   1HG   LYS  52          2HG       LYS  52  15.043 -13.512 -13.512
  369   2HG   LYS  52          1HG       LYS  52  15.046 -11.780 -11.780
  370   1HD   LYS  52          2HD       LYS  52  15.719 -11.249 -11.249
  371   2HD   LYS  52          1HD       LYS  52  14.683 -12.471 -12.471
  372   1HE   LYS  52          2HE       LYS  52  17.106 -12.992 -12.992
  373   2HE   LYS  52          1HE       LYS  52  16.296 -14.236 -14.236
  374   1HZ   LYS  52          3HZ       LYS  52  16.972 -13.028 -13.028
  375   2HZ   LYS  52          2HZ       LYS  52  17.813 -11.903 -11.903
  376   3HZ   LYS  52          1HZ       LYS  52  18.318 -13.525 -13.525
  377    HA   PRO  53           HA       PRO  53   9.785 -15.319 -15.319
  378   1HB   PRO  53          2HB       PRO  53   7.745 -14.494 -14.494
  379   2HB   PRO  53          1HB       PRO  53   9.238 -15.196 -15.196
  380   1HG   PRO  53          2HG       PRO  53   8.407 -12.345 -12.345
  381   2HG   PRO  53          1HG       PRO  53   9.286 -13.199 -13.199
  382   1HD   PRO  53          2HD       PRO  53  10.485 -11.585 -11.585
  383   2HD   PRO  53          1HD       PRO  53  11.298 -12.941 -12.941
  384    H    TYR  54           H        TYR  54   7.383 -12.812 -12.812
  385    HA   TYR  54           HA       TYR  54   6.746 -12.740 -12.740
  386   1HB   TYR  54          2HB       TYR  54   4.312 -12.813 -12.813
  387   2HB   TYR  54          1HB       TYR  54   5.230 -14.314 -14.314
  388    HD1  TYR  54           HD1      TYR  54   6.153 -15.020 -15.020
  389    HD2  TYR  54           HD2      TYR  54   3.663 -11.545 -11.545
  390    HE1  TYR  54           HE1      TYR  54   5.865 -14.995 -14.995
  391    HE2  TYR  54           HE2      TYR  54   3.355 -11.522 -11.522
  392    HH   TYR  54           HH       TYR  54   4.495 -12.336 -12.336
  393    H    GLU  55           H        GLU  55   7.739 -10.908 -10.908
  394    HA   GLU  55           HA       GLU  55   5.827  -8.725  -8.725
  395   1HB   GLU  55          2HB       GLU  55   8.435  -9.457  -9.457
  396   2HB   GLU  55          1HB       GLU  55   8.257  -7.726  -7.726
  397   1HG   GLU  55          2HG       GLU  55   6.051  -7.814  -7.814
  398   2HG   GLU  55          1HG       GLU  55   6.398  -9.493  -9.493
  399    H    GLU  56           H        GLU  56   5.489  -7.946  -7.946
  400    HA   GLU  56           HA       GLU  56   7.838  -7.189  -7.189
  401   1HB   GLU  56          2HB       GLU  56   5.044  -7.901  -7.901
  402   2HB   GLU  56          1HB       GLU  56   5.415  -6.401  -6.401
  403   1HG   GLU  56          2HG       GLU  56   6.420  -7.591  -7.591
  404   2HG   GLU  56          1HG       GLU  56   7.596  -8.170  -8.170
  405    H    VAL  57           H        VAL  57   8.615  -5.398  -5.398
  406    HA   VAL  57           HA       VAL  57   6.805  -3.160  -3.160
  407    HB   VAL  57           HB       VAL  57   9.818  -3.344  -3.344
  408   1HG1  VAL  57          2HG1      VAL  57   7.725  -1.472  -1.472
  409   2HG1  VAL  57          1HG1      VAL  57   8.767  -1.997  -1.997
  410   3HG1  VAL  57          3HG1      VAL  57   9.470  -1.235  -1.235
  411   1HG2  VAL  57          3HG2      VAL  57   7.854  -5.014  -5.014
  412   2HG2  VAL  57          2HG2      VAL  57   9.574  -4.928  -4.928
  413   3HG2  VAL  57          1HG2      VAL  57   8.427  -3.908  -3.908
  414    H    THR  58           H        THR  58   7.280  -0.961  -0.961
  415    HA   THR  58           HA       THR  58   8.835  -0.793  -0.793
  416    HB   THR  58           HB       THR  58   6.164   0.541   0.541
  417    HG1  THR  58           HG1      THR  58   6.436  -2.181  -2.181
  418   1HG2  THR  58          2HG2      THR  58   8.022  -0.551  -0.551
  419   2HG2  THR  58          1HG2      THR  58   6.299  -0.538  -0.538
  420   3HG2  THR  58          3HG2      THR  58   7.127   0.969   0.969
  421    H    CYS  59           H        CYS  59   8.823   1.729   1.729
  422    HA   CYS  59           HA       CYS  59   9.151   3.257   3.257
  423   1HB   CYS  59          2HB       CYS  59  10.822   2.898   2.898
  424   2HB   CYS  59          1HB       CYS  59  10.782   4.517   4.517
  425    H    CYS  60           H        CYS  60   9.414   5.677   5.677
  426    HA   CYS  60           HA       CYS  60   7.925   6.646   6.646
  427   1HB   CYS  60          2HB       CYS  60   6.547   5.972   5.972
  428   2HB   CYS  60          1HB       CYS  60   6.262   7.641   7.641
  429    H    SER  61           H        SER  61   8.357   8.870   8.870
  430    HA   SER  61           HA       SER  61   9.701  10.249  10.249
  431   1HB   SER  61          2HB       SER  61  11.084  11.256  11.256
  432   2HB   SER  61          1HB       SER  61  11.484   9.653   9.653
  433    HG   SER  61           HG       SER  61  10.534  10.404  10.404
  434    H    THR  62           H        THR  62   7.056  10.303  10.303
  435    HA   THR  62           HA       THR  62   7.045  13.285  13.285
  436    HB   THR  62           HB       THR  62   4.948  11.614  11.614
  437    HG1  THR  62           HG1      THR  62   6.580  10.204  10.204
  438   1HG2  THR  62          3HG2      THR  62   5.880  14.158  14.158
  439   2HG2  THR  62          2HG2      THR  62   6.757  13.325  13.325
  440   3HG2  THR  62          1HG2      THR  62   4.994  13.278  13.278
  441    H    ASP  63           H        ASP  63   5.133  14.427  14.427
  442    HA   ASP  63           HA       ASP  63   4.015  13.621  13.621
  443   1HB   ASP  63          2HB       ASP  63   3.231  15.577  15.577
  444   2HB   ASP  63          1HB       ASP  63   2.309  15.446  15.446
  445    H    LYS  64           H        LYS  64   2.144  12.467  12.467
  446    HA   LYS  64           HA       LYS  64   0.362  10.951  10.951
  447   1HB   LYS  64          2HB       LYS  64  -0.223  13.334  13.334
  448   2HB   LYS  64          1HB       LYS  64  -0.261  12.347  12.347
  449   1HG   LYS  64          2HG       LYS  64  -2.100  11.152  11.152
  450   2HG   LYS  64          1HG       LYS  64  -1.665  11.263  11.263
  451   1HD   LYS  64          2HD       LYS  64  -2.313  13.656  13.656
  452   2HD   LYS  64          1HD       LYS  64  -2.795  13.510  13.510
  453   1HE   LYS  64          2HE       LYS  64  -4.432  11.729  11.729
  454   2HE   LYS  64          1HE       LYS  64  -4.015  12.035  12.035
  455   1HZ   LYS  64          1HZ       LYS  64  -4.644  14.325  14.325
  456   2HZ   LYS  64          3HZ       LYS  64  -5.934  13.371  13.371
  457   3HZ   LYS  64          2HZ       LYS  64  -4.898  14.124  14.124
  458    H    CYS  65           H        CYS  65   2.898  10.090  10.090
  459    HA   CYS  65           HA       CYS  65   2.412   8.968   8.968
  460   1HB   CYS  65          2HB       CYS  65   4.596   9.924   9.924
  461   2HB   CYS  65          1HB       CYS  65   4.714   8.735   8.735
  462    H    ASN  66           H        ASN  66   1.438   8.108   8.108
  463    HA   ASN  66           HA       ASN  66   1.956   5.208   5.208
  464   1HB   ASN  66          2HB       ASN  66   1.414   7.075   7.075
  465   2HB   ASN  66          1HB       ASN  66   0.805   5.431   5.431
  466   1HD2  ASN  66          2HD2      ASN  66   4.760   5.250   5.250
  467   2HD2  ASN  66          1HD2      ASN  66   3.651   5.885   5.885
  468    HA   PRO  67           HA       PRO  67  -2.778   5.783   5.783
  469   1HB   PRO  67          2HB       PRO  67  -3.365   6.666   6.666
  470   2HB   PRO  67          1HB       PRO  67  -3.129   7.768   7.768
  471   1HG   PRO  67          2HG       PRO  67  -1.322   7.143   7.143
  472   2HG   PRO  67          1HG       PRO  67  -1.497   8.636   8.636
  473   1HD   PRO  67          2HD       PRO  67   0.528   6.739   6.739
  474   2HD   PRO  67          1HD       PRO  67   0.115   8.026   8.026
  475    H    HIS  68           H        HIS  68  -2.093   3.415   3.415
  476    HA   HIS  68           HA       HIS  68  -1.324   1.967   1.967
  477   1HB   HIS  68          2HB       HIS  68  -2.422   0.070   0.070
  478   2HB   HIS  68          1HB       HIS  68  -1.657   1.096   1.096
  479    HD1  HIS  68           HD1      HIS  68  -4.755  -0.573  -0.573
  480    HD2  HIS  68           HD2      HIS  68  -3.699   3.033   3.033
  481    HE1  HIS  68           HE1      HIS  68  -6.754   0.151   0.151
  482    HA   PRO  69           HA       PRO  69  -4.649   2.402   2.402
  483   1HB   PRO  69          2HB       PRO  69  -4.151   0.252   0.252
  484   2HB   PRO  69          1HB       PRO  69  -3.140   1.710   1.710
  485   1HG   PRO  69          2HG       PRO  69  -2.611  -0.954  -0.954
  486   2HG   PRO  69          1HG       PRO  69  -1.480   0.268   0.268
  487   1HD   PRO  69          2HD       PRO  69  -2.098  -0.279  -0.279
  488   2HD   PRO  69          1HD       PRO  69  -1.194   1.120   1.120
  489    H    LYS  70           H        LYS  70  -6.398   1.888   1.888
  490    HA   LYS  70           HA       LYS  70  -7.809  -0.546  -0.546
  491   1HB   LYS  70          2HB       LYS  70  -6.008  -0.489  -0.489
  492   2HB   LYS  70          1HB       LYS  70  -7.654  -0.799  -0.799
  493   1HG   LYS  70          2HG       LYS  70  -6.166  -2.320  -2.320
  494   2HG   LYS  70          1HG       LYS  70  -6.602  -2.919  -2.919
  495   1HD   LYS  70          2HD       LYS  70  -8.473  -3.710  -3.710
  496   2HD   LYS  70          1HD       LYS  70  -9.025  -2.040  -2.040
  497   1HE   LYS  70          2HE       LYS  70  -7.302  -2.349  -2.349
  498   2HE   LYS  70          1HE       LYS  70  -8.481  -3.672  -3.672
  499   1HZ   LYS  70          1HZ       LYS  70  -9.901  -1.460  -1.460
  500   2HZ   LYS  70          3HZ       LYS  70  -8.911  -0.878  -0.878
  501   3HZ   LYS  70          2HZ       LYS  70  -9.959  -2.183  -2.183
  502    H    GLN  71           H        GLN  71  -8.442   2.268   2.268
  503    HA   GLN  71           HA       GLN  71 -10.275   2.791   2.791
  504   1HB   GLN  71          2HB       GLN  71  -8.823   4.183   4.183
  505   2HB   GLN  71          1HB       GLN  71 -10.525   4.513   4.513
  506   1HG   GLN  71          2HG       GLN  71 -10.598   5.893   5.893
  507   2HG   GLN  71          1HG       GLN  71 -10.042   4.592   4.592
  508   1HE2  GLN  71          2HE2      GLN  71  -7.216   6.691   6.691
  509   2HE2  GLN  71          1HE2      GLN  71  -8.672   6.169   6.169
  510    H    ARG  72           H        ARG  72 -11.105   0.409   0.409
  511    HA   ARG  72           HA       ARG  72 -13.515   1.265   1.265
  512   1HB   ARG  72          2HB       ARG  72 -11.605  -1.056  -1.056
  513   2HB   ARG  72          1HB       ARG  72 -13.224  -1.124  -1.124
  514   1HG   ARG  72          2HG       ARG  72 -12.787   0.905   0.905
  515   2HG   ARG  72          1HG       ARG  72 -11.192   1.056   1.056
  516   1HD   ARG  72          2HD       ARG  72 -10.317  -0.353  -0.353
  517   2HD   ARG  72          1HD       ARG  72 -11.502  -1.601  -1.601
  518    HE   ARG  72           HE       ARG  72 -12.890   0.361   0.361
  519   1HH1  ARG  72          1HH2      ARG  72 -10.664  -2.237  -2.237
  520   2HH1  ARG  72          2HH2      ARG  72 -10.795  -2.339  -2.339
  521   1HH2  ARG  72          2HH1      ARG  72 -12.922   0.385   0.385
  522   2HH2  ARG  72          1HH1      ARG  72 -12.072  -0.855  -0.855
  523    HA   PRO  73           HA       PRO  73 -15.433  -0.642  -0.642
  524   1HB   PRO  73          2HB       PRO  73 -18.008  -0.100  -0.100
  525   2HB   PRO  73          1HB       PRO  73 -16.937   1.116   1.116
  526   1HG   PRO  73          2HG       PRO  73 -17.663   0.696   0.696
  527   2HG   PRO  73          1HG       PRO  73 -17.436   2.205   2.205
  528   1HD   PRO  73          2HD       PRO  73 -15.565   1.161   1.161
  529   2HD   PRO  73          1HD       PRO  73 -15.166   2.192   2.192
  530    H    GLY  74           HN       GLY  74 -17.356  -2.296  -2.296
  531   1HA   GLY  74          2HA       GLY  74 -17.240  -4.134  -4.134
  532   2HA   GLY  74          1HA       GLY  74 -17.238  -4.719  -4.719
  533   1H    MET   1          3H        MET  75 -12.505  -5.187  -5.187
  534   2H    MET   1          2H        MET  75 -13.098  -4.985  -4.985
  535   3H    MET   1          1H        MET  75 -14.016  -4.459  -4.459
  536    HA   MET   1           HA       MET  75 -12.895  -2.524  -2.524
  537   1HB   MET   1          2HB       MET  75 -13.505  -3.100  -3.100
  538   2HB   MET   1          1HB       MET  75 -11.762  -3.255  -3.255
  539   1HG   MET   1          2HG       MET  75 -12.018  -0.885  -0.885
  540   2HG   MET   1          1HG       MET  75 -13.383  -0.840  -0.840
  541   1HE   MET   1          3HE       MET  75 -13.509  -0.976  -0.976
  542   2HE   MET   1          2HE       MET  75 -12.307  -1.512  -1.512
  543   3HE   MET   1          1HE       MET  75 -12.524   0.209   0.209
  544    H    ARG   2           H        ARG  76 -11.245  -2.734  -2.734
  545    HA   ARG   2           HA       ARG  76  -8.494  -2.817  -2.817
  546   1HB   ARG   2          2HB       ARG  76  -9.848  -5.122  -5.122
  547   2HB   ARG   2          1HB       ARG  76  -8.295  -4.729  -4.729
  548   1HG   ARG   2          2HG       ARG  76  -7.170  -5.561  -5.561
  549   2HG   ARG   2          1HG       ARG  76  -8.090  -4.560  -4.560
  550   1HD   ARG   2          2HD       ARG  76  -9.777  -6.208  -6.208
  551   2HD   ARG   2          1HD       ARG  76  -9.262  -7.090  -7.090
  552    HE   ARG   2           HE       ARG  76  -7.667  -8.169  -8.169
  553   1HH1  ARG   2          1HH2      ARG  76  -6.066  -5.694  -5.694
  554   2HH1  ARG   2          2HH2      ARG  76  -6.105  -5.559  -5.559
  555   1HH2  ARG   2          2HH1      ARG  76  -8.775  -7.739  -7.739
  556   2HH2  ARG   2          1HH1      ARG  76  -7.639  -6.716  -6.716
  557    H    TYR   3           H        TYR  77  -6.984  -2.069  -2.069
  558    HA   TYR   3           HA       TYR  77  -8.129  -0.792  -0.792
  559   1HB   TYR   3          2HB       TYR  77  -5.268  -0.419  -0.419
  560   2HB   TYR   3          1HB       TYR  77  -6.470   0.798   0.798
  561    HD1  TYR   3           HD2      TYR  77  -4.980  -1.205  -1.205
  562    HD2  TYR   3           HD1      TYR  77  -7.836   1.857   1.857
  563    HE1  TYR   3           HE2      TYR  77  -5.170  -0.627  -0.627
  564    HE2  TYR   3           HE1      TYR  77  -8.021   2.438   2.438
  565    HH   TYR   3           HH       TYR  77  -5.913   1.727   1.727
  566    H    TYR   4           H        TYR  78  -8.129  -3.445  -3.445
  567    HA   TYR   4           HA       TYR  78  -5.717  -4.785  -4.785
  568   1HB   TYR   4          2HB       TYR  78  -8.602  -5.211  -5.211
  569   2HB   TYR   4          1HB       TYR  78  -7.812  -6.076  -6.076
  570    HD1  TYR   4           HD1      TYR  78  -6.584  -5.244  -5.244
  571    HD2  TYR   4           HD2      TYR  78  -7.708  -8.311  -8.311
  572    HE1  TYR   4           HE1      TYR  78  -5.827  -6.981  -6.981
  573    HE2  TYR   4           HE2      TYR  78  -6.952 -10.046 -10.046
  574    HH   TYR   4           HH       TYR  78  -6.097 -10.451 -10.451
  575    H    GLU   5           H        GLU  79  -5.824  -6.014  -6.014
  576    HA   GLU   5           HA       GLU  79  -5.323  -4.027  -4.027
  577   1HB   GLU   5          2HB       GLU  79  -3.743  -5.764  -5.764
  578   2HB   GLU   5          1HB       GLU  79  -4.986  -7.000  -7.000
  579   1HG   GLU   5          2HG       GLU  79  -5.496  -7.044  -7.044
  580   2HG   GLU   5          1HG       GLU  79  -4.909  -5.402  -5.402
  581    H    SER   6           H        SER  80  -8.130  -5.161  -5.161
  582    HA   SER   6           HA       SER  80  -9.319  -5.622  -5.622
  583   1HB   SER   6          2HB       SER  80 -11.137  -6.724  -6.724
  584   2HB   SER   6          1HB       SER  80  -9.565  -7.505  -7.505
  585    HG   SER   6           HG       SER  80  -9.960  -7.222  -7.222
  586    H    SER   7           H        SER  81  -8.937  -3.298  -3.298
  587    HA   SER   7           HA       SER  81 -10.536  -1.280  -1.280
  588   1HB   SER   7          2HB       SER  81 -12.536  -2.514  -2.514
  589   2HB   SER   7          1HB       SER  81 -12.018  -3.242  -3.242
  590    HG   SER   7           HG       SER  81 -13.394  -0.969  -0.969
  591    H    LEU   8           H        LEU  82 -11.118   0.410   0.410
  592    HA   LEU   8           HA       LEU  82  -9.345   0.038   0.038
  593   1HB   LEU   8          2HB       LEU  82  -8.832   2.560   2.560
  594   2HB   LEU   8          1HB       LEU  82  -8.021   1.376   1.376
  595    HG   LEU   8           HG       LEU  82  -9.975   1.713   1.713
  596   1HD1  LEU   8          3HD1      LEU  82 -10.733   3.481   3.481
  597   2HD1  LEU   8          2HD1      LEU  82 -10.484   4.412   4.412
  598   3HD1  LEU   8          1HD1      LEU  82 -11.633   3.074   3.074
  599   1HD2  LEU   8          2HD2      LEU  82  -7.513   2.982   2.982
  600   2HD2  LEU   8          1HD2      LEU  82  -8.489   3.000   3.000
  601   3HD2  LEU   8          3HD2      LEU  82  -8.640   4.305   4.305
  602    H    LYS   9           H        LYS  83 -12.387   0.182   0.182
  603    HA   LYS   9           HA       LYS  83 -13.342   2.484   2.484
  604   1HB   LYS   9          2HB       LYS  83 -14.317   0.548   0.548
  605   2HB   LYS   9          1HB       LYS  83 -15.299   0.418   0.418
  606   1HG   LYS   9          2HG       LYS  83 -15.615   2.900   2.900
  607   2HG   LYS   9          1HG       LYS  83 -14.765   2.934   2.934
  608   1HD   LYS   9          2HD       LYS  83 -16.850   2.668   2.668
  609   2HD   LYS   9          1HD       LYS  83 -16.607   0.971   0.971
  610   1HE   LYS   9          2HE       LYS  83 -17.926   3.039   3.039
  611   2HE   LYS   9          1HE       LYS  83 -18.774   1.774   1.774
  612   1HZ   LYS   9          2HZ       LYS  83 -17.183   0.174   0.174
  613   2HZ   LYS   9          1HZ       LYS  83 -16.787   1.438   1.438
  614   3HZ   LYS   9          3HZ       LYS  83 -18.376   0.849   0.849
  615    H    SER  10           H        SER  84 -12.877   2.363   2.363
  616    HA   SER  10           HA       SER  84 -12.364   0.243   0.243
  617   1HB   SER  10          2HB       SER  84 -13.514   1.656   1.656
  618   2HB   SER  10          1HB       SER  84 -12.383   2.546   2.546
  619    HG   SER  10           HG       SER  84 -14.900   3.087   3.087
  620    H    TYR  11           H        TYR  85 -13.503  -1.671  -1.671
  621    HA   TYR  11           HA       TYR  85 -16.407  -1.780  -1.780
  622   1HB   TYR  11          2HB       TYR  85 -14.164  -3.816  -3.816
  623   2HB   TYR  11          1HB       TYR  85 -15.856  -4.261  -4.261
  624    HD1  TYR  11           HD1      TYR  85 -16.898  -2.142  -2.142
  625    HD2  TYR  11           HD2      TYR  85 -13.087  -4.131  -4.131
  626    HE1  TYR  11           HE1      TYR  85 -16.723  -1.644  -1.644
  627    HE2  TYR  11           HE2      TYR  85 -12.918  -3.630  -3.630
  628    HH   TYR  11           HH       TYR  85 -15.564  -2.529  -2.529
  629    HA   PRO  12           HA       PRO  86 -17.049  -2.289  -2.289
  630   1HB   PRO  12          2HB       PRO  86 -19.665  -3.076  -3.076
  631   2HB   PRO  12          1HB       PRO  86 -19.151  -1.395  -1.395
  632   1HG   PRO  12          2HG       PRO  86 -19.916  -3.449  -3.449
  633   2HG   PRO  12          1HG       PRO  86 -20.221  -1.706  -1.706
  634   1HD   PRO  12          2HD       PRO  86 -18.262  -2.926  -2.926
  635   2HD   PRO  12          1HD       PRO  86 -18.214  -1.226  -1.226
  636    H    ASP  13           HN       ASP  87 -18.445  -4.809  -4.809
  637    HA   ASP  13           HA       ASP  87 -17.884  -6.873  -6.873
  638   1HB   ASP  13          2HB       ASP  87 -20.079  -6.593  -6.593
  639   2HB   ASP  13          1HB       ASP  87 -19.217  -7.139  -7.139

  Start of MODEL    8
    1   1H    ILE   1          2H        ILE   1   8.229  15.423  15.423
    2   2H    ILE   1          1H        ILE   1   8.687  15.892  15.892
    3   3H    ILE   1          3H        ILE   1   7.570  16.825  16.825
    4    HA   ILE   1           HA       ILE   1   6.114  15.678  15.678
    5    HB   ILE   1           HB       ILE   1   6.745  13.270  13.270
    6   1HG1  ILE   1          2HG1      ILE   1   9.567  13.801  13.801
    7   2HG1  ILE   1          1HG1      ILE   1   8.590  13.623  13.623
    8   1HG2  ILE   1          2HG2      ILE   1   7.778  15.809  15.809
    9   2HG2  ILE   1          1HG2      ILE   1   9.001  14.559  14.559
   10   3HG2  ILE   1          3HG2      ILE   1   7.403  14.371  14.371
   11   1HD1  ILE   1          1HD1      ILE   1   8.304  11.662  11.662
   12   2HD1  ILE   1          3HD1      ILE   1   9.605  11.480  11.480
   13   3HD1  ILE   1          2HD1      ILE   1   7.924  11.443  11.443
   14    H    VAL   2           H        VAL   2   4.939  13.299  13.299
   15    HA   VAL   2           HA       VAL   2   4.913  12.668  12.668
   16    HB   VAL   2           HB       VAL   2   2.394  13.381  13.381
   17   1HG1  VAL   2          1HG1      VAL   2   2.617  12.095  12.095
   18   2HG1  VAL   2          3HG1      VAL   2   2.822  13.733  13.733
   19   3HG1  VAL   2          2HG1      VAL   2   1.354  13.298  13.298
   20   1HG2  VAL   2          1HG2      VAL   2   4.294  15.173  15.173
   21   2HG2  VAL   2          3HG2      VAL   2   3.679  15.394  15.394
   22   3HG2  VAL   2          2HG2      VAL   2   2.602  15.597  15.597
   23    H    CYS   3           H        CYS   3   3.728  10.661  10.661
   24    HA   CYS   3           HA       CYS   3   3.250   9.002   9.002
   25   1HB   CYS   3          2HB       CYS   3   4.373   7.977   7.977
   26   2HB   CYS   3          1HB       CYS   3   4.460   7.255   7.255
   27    H    HIS   4           H        HIS   4   1.723   7.187   7.187
   28    HA   HIS   4           HA       HIS   4  -0.343   7.929   7.929
   29   1HB   HIS   4          2HB       HIS   4  -0.544   5.853   5.853
   30   2HB   HIS   4          1HB       HIS   4  -1.832   6.763   6.763
   31    HD1  HIS   4           HD1      HIS   4  -0.966   9.581   9.581
   32    HD2  HIS   4           HD2      HIS   4  -0.483   6.818   6.818
   33    HE1  HIS   4           HE1      HIS   4  -0.758  10.923  10.923
   34    H    THR   5           H        THR   5  -1.128   6.386   6.386
   35    HA   THR   5           HA       THR   5   0.629   3.973   3.973
   36    HB   THR   5           HB       THR   5   0.680   4.316   4.316
   37    HG1  THR   5           HG1      THR   5  -1.486   3.807   3.807
   38   1HG2  THR   5          2HG2      THR   5  -0.330   7.025   7.025
   39   2HG2  THR   5          1HG2      THR   5   0.347   6.708   6.708
   40   3HG2  THR   5          3HG2      THR   5   1.352   6.520   6.520
   41    H    THR   6           H        THR   6  -0.428   2.408   2.408
   42    HA   THR   6           HA       THR   6  -3.371   2.160   2.160
   43    HB   THR   6           HB       THR   6  -2.424  -0.042  -0.042
   44    HG1  THR   6           HG1      THR   6  -0.270   0.772   0.772
   45   1HG2  THR   6          1HG2      THR   6  -3.095   2.729   2.729
   46   2HG2  THR   6          3HG2      THR   6  -2.172   1.830   1.830
   47   3HG2  THR   6          2HG2      THR   6  -3.716   1.201   1.201
   48    H    ALA   7           H        ALA   7  -0.657   1.216   1.216
   49    HA   ALA   7           HA       ALA   7  -1.842  -1.310  -1.310
   50   1HB   ALA   7          1HB       ALA   7   0.748   0.070   0.070
   51   2HB   ALA   7          3HB       ALA   7   0.444  -0.814  -0.814
   52   3HB   ALA   7          2HB       ALA   7   0.394  -1.665  -1.665
   53    H    THR   8           H        THR   8  -2.719   1.702   1.702
   54    HA   THR   8           HA       THR   8  -2.648   1.344   1.344
   55    HB   THR   8           HB       THR   8  -3.430   3.785   3.785
   56    HG1  THR   8           HG1      THR   8  -3.668   4.649   4.649
   57   1HG2  THR   8          1HG2      THR   8  -1.030   2.886   2.886
   58   2HG2  THR   8          3HG2      THR   8  -0.810   3.312   3.312
   59   3HG2  THR   8          2HG2      THR   8  -1.212   4.562   4.562
   60    H    SER   9           H        SER   9  -5.075   3.151   3.151
   61    HA   SER   9           HA       SER   9  -7.188   1.187   1.187
   62   1HB   SER   9          2HB       SER   9  -7.289   1.500   1.500
   63   2HB   SER   9          1HB       SER   9  -6.604   3.118   3.118
   64    HG   SER   9           HG       SER   9  -8.606   3.842   3.842
   65    HA   PRO  10           HA       PRO  10  -9.047   5.468   5.468
   66   1HB   PRO  10          2HB       PRO  10  -7.419   7.646   7.646
   67   2HB   PRO  10          1HB       PRO  10  -8.425   7.052   7.052
   68   1HG   PRO  10          2HG       PRO  10  -5.528   6.610   6.610
   69   2HG   PRO  10          1HG       PRO  10  -6.370   7.006   7.006
   70   1HD   PRO  10          2HD       PRO  10  -5.588   4.503   4.503
   71   2HD   PRO  10          1HD       PRO  10  -7.066   4.842   4.842
   72    H    ILE  11           H        ILE  11  -5.557   5.500   5.500
   73    HA   ILE  11           HA       ILE  11  -4.285   5.404   5.404
   74    HB   ILE  11           HB       ILE  11  -6.794   4.342   4.342
   75   1HG1  ILE  11          2HG1      ILE  11  -4.022   4.299   4.299
   76   2HG1  ILE  11          1HG1      ILE  11  -5.047   2.964   2.964
   77   1HG2  ILE  11          1HG2      ILE  11  -5.905   6.325   6.325
   78   2HG2  ILE  11          3HG2      ILE  11  -7.104   5.059   5.059
   79   3HG2  ILE  11          2HG2      ILE  11  -7.430   6.356   6.356
   80   1HD1  ILE  11          2HD1      ILE  11  -6.385   3.710   3.710
   81   2HD1  ILE  11          1HD1      ILE  11  -4.745   4.171   4.171
   82   3HD1  ILE  11          3HD1      ILE  11  -5.102   2.505   2.505
   83    H    SER  12           H        SER  12  -3.309   7.260   7.260
   84    HA   SER  12           HA       SER  12  -4.533   9.456   9.456
   85   1HB   SER  12          2HB       SER  12  -4.666  11.018  11.018
   86   2HB   SER  12          1HB       SER  12  -5.428   9.546   9.546
   87    HG   SER  12           HG       SER  12  -3.005  10.732  10.732
   88    H    ALA  13           H        ALA  13  -2.871  11.265  11.265
   89    HA   ALA  13           HA       ALA  13  -0.183  10.047  10.047
   90   1HB   ALA  13          3HB       ALA  13  -1.736  11.891  11.891
   91   2HB   ALA  13          2HB       ALA  13  -0.281  12.730  12.730
   92   3HB   ALA  13          1HB       ALA  13  -0.145  11.239  11.239
   93    H    VAL  14           H        VAL  14   0.835  10.216  10.216
   94    HA   VAL  14           HA       VAL  14   0.766  12.894  12.894
   95    HB   VAL  14           HB       VAL  14   1.109  11.799  11.799
   96   1HG1  VAL  14          1HG1      VAL  14  -0.834  10.766  10.766
   97   2HG1  VAL  14          3HG1      VAL  14   0.170   9.319   9.319
   98   3HG1  VAL  14          2HG1      VAL  14  -0.401  10.060  10.060
   99   1HG2  VAL  14          3HG2      VAL  14   3.312  10.877  10.877
  100   2HG2  VAL  14          2HG2      VAL  14   2.367   9.706   9.706
  101   3HG2  VAL  14          1HG2      VAL  14   2.490   9.547   9.547
  102    H    THR  15           H        THR  15   2.641  14.003  14.003
  103    HA   THR  15           HA       THR  15   4.768  13.684  13.684
  104    HB   THR  15           HB       THR  15   5.010  15.003  15.003
  105    HG1  THR  15           HG1      THR  15   3.762  16.241  16.241
  106   1HG2  THR  15          1HG2      THR  15   6.317  15.121  15.121
  107   2HG2  THR  15          3HG2      THR  15   5.817  16.714  16.714
  108   3HG2  THR  15          2HG2      THR  15   6.883  15.717  15.717
  109    H    CYS  16           H        CYS  16   6.780  12.648  12.648
  110    HA   CYS  16           HA       CYS  16   7.339  11.199  11.199
  111   1HB   CYS  16          2HB       CYS  16   7.051  10.272  10.272
  112   2HB   CYS  16          1HB       CYS  16   8.246   9.467   9.467
  113    HA   PRO  17           HA       PRO  17  11.121  13.329  13.329
  114   1HB   PRO  17          2HB       PRO  17  11.178  15.388  15.388
  115   2HB   PRO  17          1HB       PRO  17  10.271  15.445  15.445
  116   1HG   PRO  17          2HG       PRO  17   9.272  15.292  15.292
  117   2HG   PRO  17          1HG       PRO  17   8.402  15.661  15.661
  118   1HD   PRO  17          2HD       PRO  17   8.548  13.145  13.145
  119   2HD   PRO  17          1HD       PRO  17   7.472  13.605  13.605
  120    HA   PRO  18           HA       PRO  18  12.631  12.167  12.167
  121   1HB   PRO  18          2HB       PRO  18  12.051   9.554   9.554
  122   2HB   PRO  18          1HB       PRO  18  10.999  10.893  10.893
  123   1HG   PRO  18          2HG       PRO  18  10.669   8.952   8.952
  124   2HG   PRO  18          1HG       PRO  18   9.448   9.800   9.800
  125   1HD   PRO  18          2HD       PRO  18  10.261  10.442  10.442
  126   2HD   PRO  18          1HD       PRO  18   9.302  11.469  11.469
  127    H    GLY  19           H        GLY  19  12.558   8.873   8.873
  128   1HA   GLY  19          2HA       GLY  19  15.379   9.198   9.198
  129   2HA   GLY  19          1HA       GLY  19  14.677   7.680   7.680
  130    H    GLU  20           H        GLU  20  12.168   8.097   8.097
  131    HA   GLU  20           HA       GLU  20  12.870   6.845   6.845
  132   1HB   GLU  20          2HB       GLU  20  10.384   8.067   8.067
  133   2HB   GLU  20          1HB       GLU  20  10.366   7.257   7.257
  134   1HG   GLU  20          2HG       GLU  20   9.855   5.475   5.475
  135   2HG   GLU  20          1HG       GLU  20  11.613   5.343   5.343
  136    H    ASN  21           H        ASN  21  13.846   8.014   8.014
  137    HA   ASN  21           HA       ASN  21  13.472  10.901  10.901
  138   1HB   ASN  21          2HB       ASN  21  14.783   8.987   8.987
  139   2HB   ASN  21          1HB       ASN  21  15.188  10.674  10.674
  140   1HD2  ASN  21          2HD2      ASN  21  16.278   9.305   9.305
  141   2HD2  ASN  21          1HD2      ASN  21  14.814  10.049  10.049
  142    H    LEU  22           H        LEU  22  11.883   8.073   8.073
  143    HA   LEU  22           HA       LEU  22  10.200   9.754   9.754
  144   1HB   LEU  22          2HB       LEU  22  10.533   8.222   8.222
  145   2HB   LEU  22          1HB       LEU  22  12.092   8.845   8.845
  146    HG   LEU  22           HG       LEU  22  11.547   6.514   6.514
  147   1HD1  LEU  22          3HD1      LEU  22  10.041   6.247   6.247
  148   2HD1  LEU  22          2HD1      LEU  22  11.584   5.701   5.701
  149   3HD1  LEU  22          1HD1      LEU  22  10.873   4.878   4.878
  150   1HD2  LEU  22          3HD2      LEU  22  13.518   7.511   7.511
  151   2HD2  LEU  22          2HD2      LEU  22  13.786   6.846   6.846
  152   3HD2  LEU  22          1HD2      LEU  22  13.484   5.765   5.765
  153    H    CYS  23           H        CYS  23   8.809   7.619   7.619
  154    HA   CYS  23           HA       CYS  23   7.429   6.415   6.415
  155   1HB   CYS  23          2HB       CYS  23   6.403   6.902   6.902
  156   2HB   CYS  23          1HB       CYS  23   5.453   6.632   6.632
  157    H    TYR  24           H        TYR  24   6.083   4.396   4.396
  158    HA   TYR  24           HA       TYR  24   7.539   2.898   2.898
  159   1HB   TYR  24          2HB       TYR  24   8.305   1.158   1.158
  160   2HB   TYR  24          1HB       TYR  24   8.781   2.655   2.655
  161    HD1  TYR  24           HD1      TYR  24   6.176   0.009   0.009
  162    HD2  TYR  24           HD2      TYR  24   7.957   3.207   3.207
  163    HE1  TYR  24           HE1      TYR  24   4.862  -0.652  -0.652
  164    HE2  TYR  24           HE2      TYR  24   6.648   2.560   2.560
  165    HH   TYR  24           HH       TYR  24   4.094   0.203   0.203
  166    H    ARG  25           H        ARG  25   6.230   1.437   1.437
  167    HA   ARG  25           HA       ARG  25   3.479   1.151   1.151
  168   1HB   ARG  25          2HB       ARG  25   4.408   0.366   0.366
  169   2HB   ARG  25          1HB       ARG  25   2.796   0.852   0.852
  170   1HG   ARG  25          2HG       ARG  25   3.286   2.956   2.956
  171   2HG   ARG  25          1HG       ARG  25   4.501   3.017   3.017
  172   1HD   ARG  25          2HD       ARG  25   6.249   2.580   2.580
  173   2HD   ARG  25          1HD       ARG  25   5.229   1.627   1.627
  174    HE   ARG  25           HE       ARG  25   4.497   4.467   4.467
  175   1HH1  ARG  25          1HH2      ARG  25   4.724   2.010   2.010
  176   2HH1  ARG  25          2HH2      ARG  25   5.565   2.878   2.878
  177   1HH2  ARG  25          2HH1      ARG  25   6.270   5.608   5.608
  178   2HH2  ARG  25          1HH1      ARG  25   6.439   4.917   4.917
  179    H    LYS  26           H        LYS  26   3.369  -0.793  -0.793
  180    HA   LYS  26           HA       LYS  26   4.942  -3.113  -3.113
  181   1HB   LYS  26          2HB       LYS  26   4.341  -2.010  -2.010
  182   2HB   LYS  26          1HB       LYS  26   3.774  -3.671  -3.671
  183   1HG   LYS  26          2HG       LYS  26   5.980  -4.405  -4.405
  184   2HG   LYS  26          1HG       LYS  26   6.559  -2.738  -2.738
  185   1HD   LYS  26          2HD       LYS  26   5.362  -3.325  -3.325
  186   2HD   LYS  26          1HD       LYS  26   6.491  -4.623  -4.623
  187   1HE   LYS  26          2HE       LYS  26   8.323  -3.105  -3.105
  188   2HE   LYS  26          1HE       LYS  26   7.243  -1.696  -1.696
  189   1HZ   LYS  26          2HZ       LYS  26   7.484  -3.596  -3.596
  190   2HZ   LYS  26          1HZ       LYS  26   8.218  -2.065  -2.065
  191   3HZ   LYS  26          3HZ       LYS  26   6.527  -2.193  -2.193
  192    H    MET  27           H        MET  27   3.877  -5.226  -5.226
  193    HA   MET  27           HA       MET  27   0.956  -5.277  -5.277
  194   1HB   MET  27          2HB       MET  27   2.417  -4.959  -4.959
  195   2HB   MET  27          1HB       MET  27   1.722  -6.580  -6.580
  196   1HG   MET  27          2HG       MET  27  -0.488  -5.537  -5.537
  197   2HG   MET  27          1HG       MET  27   0.249  -3.958  -3.958
  198   1HE   MET  27          1HE       MET  27  -1.449  -6.963  -6.963
  199   2HE   MET  27          3HE       MET  27  -2.348  -5.447  -5.447
  200   3HE   MET  27          2HE       MET  27  -1.928  -6.371  -6.371
  201    H    TRP  28           H        TRP  28   0.319  -7.170  -7.170
  202    HA   TRP  28           HA       TRP  28   1.933  -9.570  -9.570
  203   1HB   TRP  28          2HB       TRP  28   2.538  -9.648  -9.648
  204   2HB   TRP  28          1HB       TRP  28   3.266  -8.306  -8.306
  205    HD1  TRP  28           HD1      TRP  28  -0.409  -8.257  -8.257
  206    HE1  TRP  28           HE1      TRP  28  -0.593  -6.375  -6.375
  207    HE3  TRP  28           HE3      TRP  28   4.459  -6.968  -6.968
  208    HZ2  TRP  28           HZ2      TRP  28   1.104  -4.565  -4.565
  209    HZ3  TRP  28           HZ3      TRP  28   5.195  -5.151  -5.151
  210    HH2  TRP  28           HH2      TRP  28   3.517  -3.950  -3.950
  211    H    CYS  29           H        CYS  29   1.248 -11.135 -11.135
  212    HA   CYS  29           HA       CYS  29  -1.697 -11.362 -11.362
  213   1HB   CYS  29          2HB       CYS  29  -1.303 -13.645 -13.645
  214   2HB   CYS  29          1HB       CYS  29   0.137 -13.165 -13.165
  215    H    ASP  30           H        ASP  30  -3.062 -11.278 -11.278
  216    HA   ASP  30           HA       ASP  30  -2.135  -9.788  -9.788
  217   1HB   ASP  30          2HB       ASP  30  -4.442  -9.862  -9.862
  218   2HB   ASP  30          1HB       ASP  30  -4.654 -11.447 -11.447
  219    H    ALA  31           H        ALA  31  -2.820 -10.796 -10.796
  220    HA   ALA  31           HA       ALA  31  -0.960 -12.701 -12.701
  221   1HB   ALA  31          2HB       ALA  31  -2.892 -11.210 -11.210
  222   2HB   ALA  31          1HB       ALA  31  -3.637 -12.804 -12.804
  223   3HB   ALA  31          3HB       ALA  31  -2.054 -12.513 -12.513
  224    H    PHE  32           H        PHE  32  -3.944 -13.274 -13.274
  225    HA   PHE  32           HA       PHE  32  -3.686 -16.216 -16.216
  226   1HB   PHE  32          2HB       PHE  32  -5.895 -14.301 -14.301
  227   2HB   PHE  32          1HB       PHE  32  -6.070 -15.984 -15.984
  228    HD1  PHE  32           HD1      PHE  32  -5.661 -17.806 -17.806
  229    HD2  PHE  32           HD2      PHE  32  -6.335 -13.669 -13.669
  230    HE1  PHE  32           HE1      PHE  32  -6.276 -18.433 -18.433
  231    HE2  PHE  32           HE2      PHE  32  -6.951 -14.296 -14.296
  232    HZ   PHE  32           HZ       PHE  32  -6.922 -16.677 -16.677
  233    H    CYS  33           H        CYS  33  -3.385 -13.758 -13.758
  234    HA   CYS  33           HA       CYS  33  -2.957 -13.905 -13.905
  235   1HB   CYS  33          2HB       CYS  33  -1.811 -16.605 -16.605
  236   2HB   CYS  33          1HB       CYS  33  -1.226 -15.484 -15.484
  237    H    SER  34           H        SER  34  -5.334 -14.210 -14.210
  238    HA   SER  34           HA       SER  34  -6.194 -17.011 -17.011
  239   1HB   SER  34          2HB       SER  34  -7.646 -14.351 -14.351
  240   2HB   SER  34          1HB       SER  34  -8.401 -15.940 -15.940
  241    HG   SER  34           HG       SER  34  -6.919 -14.846 -14.846
  242    H    SER  35           H        SER  35  -7.877 -16.782 -16.782
  243    HA   SER  35           HA       SER  35  -6.025 -16.416 -16.416
  244   1HB   SER  35          2HB       SER  35  -8.906 -17.124 -17.124
  245   2HB   SER  35          1HB       SER  35  -7.486 -17.844 -17.844
  246    HG   SER  35           HG       SER  35  -8.771 -18.908 -18.908
  247    H    ARG  36           H        ARG  36  -7.573 -14.189 -14.189
  248    HA   ARG  36           HA       ARG  36  -9.096 -12.828 -12.828
  249   1HB   ARG  36          2HB       ARG  36  -8.861 -12.823 -12.823
  250   2HB   ARG  36          1HB       ARG  36  -8.515 -11.189 -11.189
  251   1HG   ARG  36          2HG       ARG  36 -10.931 -11.485 -11.485
  252   2HG   ARG  36          1HG       ARG  36 -10.601 -11.202 -11.202
  253   1HD   ARG  36          2HD       ARG  36 -11.340 -13.275 -13.275
  254   2HD   ARG  36          1HD       ARG  36 -10.529 -14.051 -14.051
  255    HE   ARG  36           HE       ARG  36 -13.249 -12.907 -12.907
  256   1HH1  ARG  36          1HH2      ARG  36 -11.280 -15.240 -15.240
  257   2HH1  ARG  36          2HH2      ARG  36 -11.812 -15.067 -15.067
  258   1HH2  ARG  36          2HH1      ARG  36 -13.613 -12.167 -12.167
  259   2HH2  ARG  36          1HH1      ARG  36 -13.134 -13.327 -13.327
  260    H    GLY  37           H        GLY  37  -5.880 -13.247 -13.247
  261   1HA   GLY  37          2HA       GLY  37  -4.196 -12.090 -12.090
  262   2HA   GLY  37          1HA       GLY  37  -5.255 -10.682 -10.682
  263    H    LYS  38           H        LYS  38  -2.902  -9.846  -9.846
  264    HA   LYS  38           HA       LYS  38  -2.533 -10.075 -10.075
  265   1HB   LYS  38          2HB       LYS  38  -0.956  -9.027  -9.027
  266   2HB   LYS  38          1HB       LYS  38  -0.474  -8.630  -8.630
  267   1HG   LYS  38          2HG       LYS  38   0.743 -10.570 -10.570
  268   2HG   LYS  38          1HG       LYS  38  -0.729 -11.238 -11.238
  269   1HD   LYS  38          2HD       LYS  38  -1.125 -12.414 -12.414
  270   2HD   LYS  38          1HD       LYS  38  -1.135 -10.926 -10.926
  271   1HE   LYS  38          2HE       LYS  38   1.558 -11.265 -11.265
  272   2HE   LYS  38          1HE       LYS  38   1.001 -12.943 -12.943
  273   1HZ   LYS  38          3HZ       LYS  38  -0.356 -12.091 -12.091
  274   2HZ   LYS  38          2HZ       LYS  38   0.629 -10.708 -10.708
  275   3HZ   LYS  38          1HZ       LYS  38   1.316 -12.234 -12.234
  276    H    VAL  39           H        VAL  39  -2.498  -8.084  -8.084
  277    HA   VAL  39           HA       VAL  39  -4.568  -6.202  -6.202
  278    HB   VAL  39           HB       VAL  39  -2.316  -5.704  -5.704
  279   1HG1  VAL  39          1HG1      VAL  39  -4.710  -4.430  -4.430
  280   2HG1  VAL  39          3HG1      VAL  39  -5.102  -5.480  -5.480
  281   3HG1  VAL  39          2HG1      VAL  39  -3.778  -4.321  -4.321
  282   1HG2  VAL  39          1HG2      VAL  39  -3.966  -8.090  -8.090
  283   2HG2  VAL  39          3HG2      VAL  39  -2.620  -7.709  -7.709
  284   3HG2  VAL  39          2HG2      VAL  39  -4.252  -7.183  -7.183
  285    H    VAL  40           H        VAL  40  -2.799  -3.943  -3.943
  286    HA   VAL  40           HA       VAL  40  -0.818  -3.439  -3.439
  287    HB   VAL  40           HB       VAL  40  -3.557  -2.140  -2.140
  288   1HG1  VAL  40          1HG1      VAL  40  -1.113  -0.783  -0.783
  289   2HG1  VAL  40          3HG1      VAL  40  -1.708  -1.007  -1.007
  290   3HG1  VAL  40          2HG1      VAL  40  -2.709  -0.183  -0.183
  291   1HG2  VAL  40          1HG2      VAL  40  -1.852  -3.587  -3.587
  292   2HG2  VAL  40          3HG2      VAL  40  -3.489  -3.986  -3.986
  293   3HG2  VAL  40          2HG2      VAL  40  -3.207  -2.566  -2.566
  294    H    GLU  41           H        GLU  41   0.594  -2.863  -2.863
  295    HA   GLU  41           HA       GLU  41  -0.380  -0.879  -0.879
  296   1HB   GLU  41          2HB       GLU  41   1.812  -2.860  -2.860
  297   2HB   GLU  41          1HB       GLU  41   0.740  -2.120  -2.120
  298   1HG   GLU  41          2HG       GLU  41  -0.153  -4.274  -4.274
  299   2HG   GLU  41          1HG       GLU  41  -1.135  -3.389  -3.389
  300    H    LEU  42           H        LEU  42   0.482   0.828   0.828
  301    HA   LEU  42           HA       LEU  42   3.380   0.941   0.941
  302   1HB   LEU  42          2HB       LEU  42   1.564   3.313   3.313
  303   2HB   LEU  42          1HB       LEU  42   2.866   2.781   2.781
  304    HG   LEU  42           HG       LEU  42   1.094   0.690   0.690
  305   1HD1  LEU  42          2HD1      LEU  42  -0.432   2.428   2.428
  306   2HD1  LEU  42          1HD1      LEU  42  -0.675   3.082   3.082
  307   3HD1  LEU  42          3HD1      LEU  42  -1.103   1.406   1.406
  308   1HD2  LEU  42          2HD2      LEU  42   2.296   2.485   2.485
  309   2HD2  LEU  42          1HD2      LEU  42   1.101   1.309   1.309
  310   3HD2  LEU  42          3HD2      LEU  42   0.612   2.962   2.962
  311    H    GLY  43           H        GLY  43   4.037   3.552   3.552
  312   1HA   GLY  43          2HA       GLY  43   3.179   4.789   4.789
  313   2HA   GLY  43          1HA       GLY  43   4.074   3.420   3.420
  314    H    CYS  44           H        CYS  44   5.827   4.579   4.579
  315    HA   CYS  44           HA       CYS  44   7.409   6.245   6.245
  316   1HB   CYS  44          2HB       CYS  44   7.535   6.215   6.215
  317   2HB   CYS  44          1HB       CYS  44   8.087   7.472   7.472
  318    H    ALA  45           H        ALA  45   9.802   6.064   6.064
  319    HA   ALA  45           HA       ALA  45  10.935   3.922   3.922
  320   1HB   ALA  45          1HB       ALA  45   9.819   3.392   3.392
  321   2HB   ALA  45          3HB       ALA  45  11.546   3.038   3.038
  322   3HB   ALA  45          2HB       ALA  45  10.474   2.249   2.249
  323    H    ALA  46           H        ALA  46  13.221   4.001   4.001
  324    HA   ALA  46           HA       ALA  46  14.445   6.459   6.459
  325   1HB   ALA  46          2HB       ALA  46  15.375   3.855   3.855
  326   2HB   ALA  46          1HB       ALA  46  16.527   5.113   5.113
  327   3HB   ALA  46          3HB       ALA  46  15.286   5.443   5.443
  328    H    THR  47           H        THR  47  14.160   3.201   3.201
  329    HA   THR  47           HA       THR  47  15.002   3.965   3.965
  330    HB   THR  47           HB       THR  47  16.836   1.942   1.942
  331    HG1  THR  47           HG1      THR  47  17.209   3.810   3.810
  332   1HG2  THR  47          2HG2      THR  47  17.127   4.034   4.034
  333   2HG2  THR  47          1HG2      THR  47  17.343   4.921   4.921
  334   3HG2  THR  47          3HG2      THR  47  18.505   3.680   3.680
  335    H    CYS  48           H        CYS  48  13.901   2.583   2.583
  336    HA   CYS  48           HA       CYS  48  11.976   0.757   0.757
  337   1HB   CYS  48          2HB       CYS  48  13.808   1.237   1.237
  338   2HB   CYS  48          1HB       CYS  48  13.165  -0.405  -0.405
  339    HA   PRO  49           HA       PRO  49  14.696  -2.387  -2.387
  340   1HB   PRO  49          2HB       PRO  49  13.300  -2.615  -2.615
  341   2HB   PRO  49          1HB       PRO  49  14.504  -1.343  -1.343
  342   1HG   PRO  49          2HG       PRO  49  11.615  -1.115  -1.115
  343   2HG   PRO  49          1HG       PRO  49  12.844   0.154   0.154
  344   1HD   PRO  49          2HD       PRO  49  11.151  -0.702  -0.702
  345   2HD   PRO  49          1HD       PRO  49  12.184   0.740   0.740
  346    H    SER  50           H        SER  50  13.852  -4.558  -4.558
  347    HA   SER  50           HA       SER  50  12.565  -6.532  -6.532
  348   1HB   SER  50          2HB       SER  50  10.332  -4.778  -4.778
  349   2HB   SER  50          1HB       SER  50  10.245  -6.170  -6.170
  350    HG   SER  50           HG       SER  50  10.672  -3.541  -3.541
  351    H    LYS  51           H        LYS  51  13.639  -4.865  -4.865
  352    HA   LYS  51           HA       LYS  51  12.105  -6.344  -6.344
  353   1HB   LYS  51          2HB       LYS  51  13.490  -3.846  -3.846
  354   2HB   LYS  51          1HB       LYS  51  14.256  -4.772  -4.772
  355   1HG   LYS  51          2HG       LYS  51  11.406  -5.058  -5.058
  356   2HG   LYS  51          1HG       LYS  51  11.804  -3.343  -3.343
  357   1HD   LYS  51          2HD       LYS  51  12.448  -3.400  -3.400
  358   2HD   LYS  51          1HD       LYS  51  13.738  -4.516  -4.516
  359   1HE   LYS  51          2HE       LYS  51  12.323  -6.435  -6.435
  360   2HE   LYS  51          1HE       LYS  51  10.896  -5.400  -5.400
  361   1HZ   LYS  51          1HZ       LYS  51  13.253  -4.791  -4.791
  362   2HZ   LYS  51          3HZ       LYS  51  12.365  -6.170  -6.170
  363   3HZ   LYS  51          2HZ       LYS  51  11.606  -4.651  -4.651
  364    H    LYS  52           H        LYS  52  12.970  -8.507  -8.507
  365    HA   LYS  52           HA       LYS  52  15.450  -9.074  -9.074
  366   1HB   LYS  52          2HB       LYS  52  15.401  -8.564  -8.564
  367   2HB   LYS  52          1HB       LYS  52  16.196 -10.077 -10.077
  368   1HG   LYS  52          2HG       LYS  52  17.107  -8.215  -8.215
  369   2HG   LYS  52          1HG       LYS  52  17.132  -7.350  -7.350
  370   1HD   LYS  52          2HD       LYS  52  18.168 -10.137 -10.137
  371   2HD   LYS  52          1HD       LYS  52  19.159  -8.939  -8.939
  372   1HE   LYS  52          2HE       LYS  52  19.957  -8.371  -8.371
  373   2HE   LYS  52          1HE       LYS  52  18.363  -7.655  -7.655
  374   1HZ   LYS  52          1HZ       LYS  52  17.577  -9.876  -9.876
  375   2HZ   LYS  52          3HZ       LYS  52  19.152 -10.481 -10.481
  376   3HZ   LYS  52          2HZ       LYS  52  18.823  -9.315  -9.315
  377    HA   PRO  53           HA       PRO  53  13.880 -13.173 -13.173
  378   1HB   PRO  53          2HB       PRO  53  11.966 -13.121 -13.121
  379   2HB   PRO  53          1HB       PRO  53  13.706 -13.049 -13.049
  380   1HG   PRO  53          2HG       PRO  53  11.698 -10.856 -10.856
  381   2HG   PRO  53          1HG       PRO  53  13.067 -11.099 -11.099
  382   1HD   PRO  53          2HD       PRO  53  13.097  -9.352  -9.352
  383   2HD   PRO  53          1HD       PRO  53  14.554 -10.123 -10.123
  384    H    TYR  54           H        TYR  54  10.767 -11.944 -11.944
  385    HA   TYR  54           HA       TYR  54   9.630 -12.405 -12.405
  386   1HB   TYR  54          2HB       TYR  54   7.769 -13.597 -13.597
  387   2HB   TYR  54          1HB       TYR  54   9.062 -14.474 -14.474
  388    HD1  TYR  54           HD2      TYR  54   8.862 -12.276 -12.276
  389    HD2  TYR  54           HD1      TYR  54  10.068 -16.049 -16.049
  390    HE1  TYR  54           HE2      TYR  54   9.813 -12.933 -12.933
  391    HE2  TYR  54           HE1      TYR  54  11.016 -16.710 -16.710
  392    HH   TYR  54           HH       TYR  54  10.631 -16.087 -16.087
  393    H    GLU  55           H        GLU  55   9.857 -10.334 -10.334
  394    HA   GLU  55           HA       GLU  55   7.113  -9.492  -9.492
  395   1HB   GLU  55          2HB       GLU  55   9.874  -8.404  -8.404
  396   2HB   GLU  55          1HB       GLU  55   8.473  -7.358  -7.358
  397   1HG   GLU  55          2HG       GLU  55   7.790  -8.486  -8.486
  398   2HG   GLU  55          1HG       GLU  55   8.202 -10.057 -10.057
  399    H    GLU  56           H        GLU  56   5.915  -8.045  -8.045
  400    HA   GLU  56           HA       GLU  56   7.154  -7.061  -7.061
  401   1HB   GLU  56          2HB       GLU  56   4.882  -8.413  -8.413
  402   2HB   GLU  56          1HB       GLU  56   4.253  -6.784  -6.784
  403   1HG   GLU  56          2HG       GLU  56   5.737  -7.758  -7.758
  404   2HG   GLU  56          1HG       GLU  56   4.007  -7.431  -7.431
  405    H    VAL  57           H        VAL  57   8.294  -5.223  -5.223
  406    HA   VAL  57           HA       VAL  57   6.479  -3.062  -3.062
  407    HB   VAL  57           HB       VAL  57   7.791  -3.853  -3.853
  408   1HG1  VAL  57          2HG1      VAL  57  10.154  -3.736  -3.736
  409   2HG1  VAL  57          1HG1      VAL  57  10.235  -4.171  -4.171
  410   3HG1  VAL  57          3HG1      VAL  57   9.361  -5.202  -5.202
  411   1HG2  VAL  57          1HG2      VAL  57   9.211  -1.476  -1.476
  412   2HG2  VAL  57          3HG2      VAL  57   7.793  -1.403  -1.403
  413   3HG2  VAL  57          2HG2      VAL  57   9.338  -1.959  -1.959
  414    H    THR  58           H        THR  58   7.104  -0.885  -0.885
  415    HA   THR  58           HA       THR  58   9.176  -0.617  -0.617
  416    HB   THR  58           HB       THR  58   6.976   0.941   0.941
  417    HG1  THR  58           HG1      THR  58   6.116  -1.698  -1.698
  418   1HG2  THR  58          1HG2      THR  58   8.729  -0.592  -0.592
  419   2HG2  THR  58          3HG2      THR  58   7.457  -1.807  -1.807
  420   3HG2  THR  58          2HG2      THR  58   7.152  -0.300  -0.300
  421    H    CYS  59           H        CYS  59   8.716   2.060   2.060
  422    HA   CYS  59           HA       CYS  59   8.877   3.409   3.409
  423   1HB   CYS  59          2HB       CYS  59  10.642   3.442   3.442
  424   2HB   CYS  59          1HB       CYS  59  10.460   4.939   4.939
  425    H    CYS  60           H        CYS  60   8.765   5.842   5.842
  426    HA   CYS  60           HA       CYS  60   7.455   6.906   6.906
  427   1HB   CYS  60          2HB       CYS  60   5.338   6.225   6.225
  428   2HB   CYS  60          1HB       CYS  60   5.848   5.513   5.513
  429    H    SER  61           H        SER  61   8.589   8.805   8.805
  430    HA   SER  61           HA       SER  61   8.825  10.213  10.213
  431   1HB   SER  61          2HB       SER  61  10.788  11.228  11.228
  432   2HB   SER  61          1HB       SER  61  10.853   9.494   9.494
  433    HG   SER  61           HG       SER  61  11.163  11.160  11.160
  434    H    THR  62           H        THR  62   6.997  10.352  10.352
  435    HA   THR  62           HA       THR  62   6.950  13.274  13.274
  436    HB   THR  62           HB       THR  62   4.779  11.615  11.615
  437    HG1  THR  62           HG1      THR  62   6.151  10.489  10.489
  438   1HG2  THR  62          3HG2      THR  62   6.437  13.916  13.916
  439   2HG2  THR  62          2HG2      THR  62   6.318  12.783  12.783
  440   3HG2  THR  62          1HG2      THR  62   4.854  13.458  13.458
  441    H    ASP  63           H        ASP  63   4.481  14.146  14.146
  442    HA   ASP  63           HA       ASP  63   3.518  14.091  14.091
  443   1HB   ASP  63          2HB       ASP  63   2.631  15.294  15.294
  444   2HB   ASP  63          1HB       ASP  63   1.667  15.487  15.487
  445    H    LYS  64           H        LYS  64   2.123  12.573  12.573
  446    HA   LYS  64           HA       LYS  64   0.604  10.752  10.752
  447   1HB   LYS  64          2HB       LYS  64  -0.762  12.777  12.777
  448   2HB   LYS  64          1HB       LYS  64  -0.533  12.363  12.363
  449   1HG   LYS  64          2HG       LYS  64  -1.626  10.191  10.191
  450   2HG   LYS  64          1HG       LYS  64  -1.832  10.573  10.573
  451   1HD   LYS  64          2HD       LYS  64  -3.525  12.072  12.072
  452   2HD   LYS  64          1HD       LYS  64  -2.862  12.572  12.572
  453   1HE   LYS  64          2HE       LYS  64  -3.516  10.218  10.218
  454   2HE   LYS  64          1HE       LYS  64  -4.509  10.114  10.114
  455   1HZ   LYS  64          3HZ       LYS  64  -4.588  12.396  12.396
  456   2HZ   LYS  64          2HZ       LYS  64  -5.694  11.106  11.106
  457   3HZ   LYS  64          1HZ       LYS  64  -5.616  12.134  12.134
  458    H    CYS  65           H        CYS  65   2.912  10.085  10.085
  459    HA   CYS  65           HA       CYS  65   2.121   8.912   8.912
  460   1HB   CYS  65          2HB       CYS  65   4.605   8.208   8.208
  461   2HB   CYS  65          1HB       CYS  65   4.244   9.924   9.924
  462    H    ASN  66           H        ASN  66   1.411   8.037   8.037
  463    HA   ASN  66           HA       ASN  66   2.199   5.168   5.168
  464   1HB   ASN  66          2HB       ASN  66   2.022   7.130   7.130
  465   2HB   ASN  66          1HB       ASN  66   0.964   5.773   5.773
  466   1HD2  ASN  66          2HD2      ASN  66   4.767   4.525   4.525
  467   2HD2  ASN  66          1HD2      ASN  66   3.927   5.440   5.440
  468    HA   PRO  67           HA       PRO  67  -2.577   5.639   5.639
  469   1HB   PRO  67          2HB       PRO  67  -3.292   6.225   6.225
  470   2HB   PRO  67          1HB       PRO  67  -2.990   7.477   7.477
  471   1HG   PRO  67          2HG       PRO  67  -1.286   6.574   6.574
  472   2HG   PRO  67          1HG       PRO  67  -1.441   8.177   8.177
  473   1HD   PRO  67          2HD       PRO  67   0.632   6.384   6.384
  474   2HD   PRO  67          1HD       PRO  67   0.211   7.775   7.775
  475    H    HIS  68           H        HIS  68  -2.512   3.312   3.312
  476    HA   HIS  68           HA       HIS  68  -1.713   1.588   1.588
  477   1HB   HIS  68          2HB       HIS  68  -2.754  -0.142  -0.142
  478   2HB   HIS  68          1HB       HIS  68  -1.934   0.995   0.995
  479    HD1  HIS  68           HD1      HIS  68  -5.254  -0.404  -0.404
  480    HD2  HIS  68           HD2      HIS  68  -3.733   2.806   2.806
  481    HE1  HIS  68           HE1      HIS  68  -7.152   0.431   0.431
  482    HA   PRO  69           HA       PRO  69  -5.160   2.100   2.100
  483   1HB   PRO  69          2HB       PRO  69  -5.027  -0.245  -0.245
  484   2HB   PRO  69          1HB       PRO  69  -3.882   1.092   1.092
  485   1HG   PRO  69          2HG       PRO  69  -3.549  -1.447  -1.447
  486   2HG   PRO  69          1HG       PRO  69  -2.374  -0.542  -0.542
  487   1HD   PRO  69          2HD       PRO  69  -2.482  -0.499  -0.499
  488   2HD   PRO  69          1HD       PRO  69  -1.781   0.794   0.794
  489    H    LYS  70           H        LYS  70  -7.012   2.007   2.007
  490    HA   LYS  70           HA       LYS  70  -8.831  -0.082  -0.082
  491   1HB   LYS  70          2HB       LYS  70  -6.707  -0.667  -0.667
  492   2HB   LYS  70          1HB       LYS  70  -8.259  -0.706  -0.706
  493   1HG   LYS  70          2HG       LYS  70  -7.198  -2.489  -2.489
  494   2HG   LYS  70          1HG       LYS  70  -8.173  -2.876  -2.876
  495   1HD   LYS  70          2HD       LYS  70  -9.088  -1.770  -1.770
  496   2HD   LYS  70          1HD       LYS  70  -9.613  -3.242  -3.242
  497   1HE   LYS  70          2HE       LYS  70 -11.228  -2.127  -2.127
  498   2HE   LYS  70          1HE       LYS  70 -10.095  -0.862  -0.862
  499   1HZ   LYS  70          2HZ       LYS  70 -10.711  -0.914  -0.914
  500   2HZ   LYS  70          1HZ       LYS  70 -12.024  -0.507  -0.507
  501   3HZ   LYS  70          3HZ       LYS  70 -10.600   0.410   0.410
  502    H    GLN  71           H        GLN  71  -9.549   2.438   2.438
  503    HA   GLN  71           HA       GLN  71 -10.410   3.124   3.124
  504   1HB   GLN  71          2HB       GLN  71 -10.656   4.756   4.756
  505   2HB   GLN  71          1HB       GLN  71 -10.692   5.340   5.340
  506   1HG   GLN  71          2HG       GLN  71  -8.268   3.855   3.855
  507   2HG   GLN  71          1HG       GLN  71  -8.433   5.075   5.075
  508   1HE2  GLN  71          2HE2      GLN  71  -7.336   6.254   6.254
  509   2HE2  GLN  71          1HE2      GLN  71  -7.266   4.648   4.648
  510    H    ARG  72           H        ARG  72 -11.659   0.916   0.916
  511    HA   ARG  72           HA       ARG  72 -13.770   0.219   0.219
  512   1HB   ARG  72          2HB       ARG  72 -13.661   1.120   1.120
  513   2HB   ARG  72          1HB       ARG  72 -15.216   1.657   1.657
  514   1HG   ARG  72          2HG       ARG  72 -15.348  -0.781  -0.781
  515   2HG   ARG  72          1HG       ARG  72 -14.150  -1.138  -1.138
  516   1HD   ARG  72          2HD       ARG  72 -16.217  -1.533  -1.533
  517   2HD   ARG  72          1HD       ARG  72 -15.802   0.116   0.116
  518    HE   ARG  72           HE       ARG  72 -17.263   0.129   0.129
  519   1HH1  ARG  72          1HH2      ARG  72 -17.688   2.148   2.148
  520   2HH1  ARG  72          2HH2      ARG  72 -19.245   1.716   1.716
  521   1HH2  ARG  72          2HH1      ARG  72 -19.221  -1.453  -1.453
  522   2HH2  ARG  72          1HH1      ARG  72 -20.113  -0.324  -0.324
  523    HA   PRO  73           HA       PRO  73 -14.888   4.186   4.186
  524   1HB   PRO  73          2HB       PRO  73 -14.991   3.129   3.129
  525   2HB   PRO  73          1HB       PRO  73 -13.491   3.728   3.728
  526   1HG   PRO  73          2HG       PRO  73 -14.464   0.934   0.934
  527   2HG   PRO  73          1HG       PRO  73 -12.822   1.580   1.580
  528   1HD   PRO  73          2HD       PRO  73 -13.757   0.253   0.253
  529   2HD   PRO  73          1HD       PRO  73 -12.446   1.452   1.452
  530    H    GLY  74           HN       GLY  74 -17.004   4.754   4.754
  531   1HA   GLY  74          2HA       GLY  74 -19.046   3.477   3.477
  532   2HA   GLY  74          1HA       GLY  74 -19.047   2.646   2.646
  533   1H    MET   1          3H        MET  75 -13.144  -5.350  -5.350
  534   2H    MET   1          2H        MET  75 -13.663  -4.993  -4.993
  535   3H    MET   1          1H        MET  75 -14.680  -4.677  -4.677
  536    HA   MET   1           HA       MET  75 -13.519  -2.812  -2.812
  537   1HB   MET   1          2HB       MET  75 -13.090  -3.092  -3.092
  538   2HB   MET   1          1HB       MET  75 -13.200  -1.572  -1.572
  539   1HG   MET   1          2HG       MET  75 -15.502  -2.187  -2.187
  540   2HG   MET   1          1HG       MET  75 -15.389  -3.656  -3.656
  541   1HE   MET   1          3HE       MET  75 -17.379  -3.206  -3.206
  542   2HE   MET   1          2HE       MET  75 -17.661  -2.239  -2.239
  543   3HE   MET   1          1HE       MET  75 -17.883  -1.517  -1.517
  544    H    ARG   2           H        ARG  76 -11.570  -2.526  -2.526
  545    HA   ARG   2           HA       ARG  76  -9.053  -2.604  -2.604
  546   1HB   ARG   2          2HB       ARG  76 -10.101  -5.017  -5.017
  547   2HB   ARG   2          1HB       ARG  76  -8.591  -4.550  -4.550
  548   1HG   ARG   2          2HG       ARG  76  -7.452  -5.376  -5.376
  549   2HG   ARG   2          1HG       ARG  76  -8.206  -4.165  -4.165
  550   1HD   ARG   2          2HD       ARG  76 -10.247  -5.833  -5.833
  551   2HD   ARG   2          1HD       ARG  76  -9.015  -7.026  -7.026
  552    HE   ARG   2           HE       ARG  76  -7.707  -6.123  -6.123
  553   1HH1  ARG   2          2HH1      ARG  76  -8.939  -4.211  -4.211
  554   2HH1  ARG   2          1HH1      ARG  76 -10.178  -4.955  -4.955
  555   1HH2  ARG   2          1HH2      ARG  76 -10.258  -7.862  -7.862
  556   2HH2  ARG   2          2HH2      ARG  76 -10.924  -7.021  -7.021
  557    H    TYR   3           H        TYR  77  -7.253  -1.991  -1.991
  558    HA   TYR   3           HA       TYR  77  -8.124  -0.648  -0.648
  559   1HB   TYR   3          2HB       TYR  77  -5.317  -0.368  -0.368
  560   2HB   TYR   3          1HB       TYR  77  -6.483   0.891   0.891
  561    HD1  TYR   3           HD2      TYR  77  -5.094  -1.248  -1.248
  562    HD2  TYR   3           HD1      TYR  77  -7.891   1.883   1.883
  563    HE1  TYR   3           HE2      TYR  77  -5.336  -0.768  -0.768
  564    HE2  TYR   3           HE1      TYR  77  -8.133   2.364   2.364
  565    HH   TYR   3           HH       TYR  77  -6.448   0.387   0.387
  566    H    TYR   4           H        TYR  78  -8.128  -3.387  -3.387
  567    HA   TYR   4           HA       TYR  78  -5.703  -4.716  -4.716
  568   1HB   TYR   4          2HB       TYR  78  -8.559  -5.161  -5.161
  569   2HB   TYR   4          1HB       TYR  78  -7.913  -5.939  -5.939
  570    HD1  TYR   4           HD1      TYR  78  -6.969  -5.484  -5.484
  571    HD2  TYR   4           HD2      TYR  78  -7.186  -8.119  -8.119
  572    HE1  TYR   4           HE1      TYR  78  -6.131  -7.353  -7.353
  573    HE2  TYR   4           HE2      TYR  78  -6.345  -9.984  -9.984
  574    HH   TYR   4           HH       TYR  78  -6.473 -10.379 -10.379
  575    H    GLU   5           H        GLU  79  -6.037  -5.979  -5.979
  576    HA   GLU   5           HA       GLU  79  -5.607  -3.896  -3.896
  577   1HB   GLU   5          2HB       GLU  79  -4.565  -5.632  -5.632
  578   2HB   GLU   5          1HB       GLU  79  -4.238  -6.062  -6.062
  579   1HG   GLU   5          2HG       GLU  79  -6.712  -7.233  -7.233
  580   2HG   GLU   5          1HG       GLU  79  -5.817  -7.488  -7.488
  581    H    SER   6           H        SER  80  -8.372  -4.547  -4.547
  582    HA   SER   6           HA       SER  80  -9.695  -4.929  -4.929
  583   1HB   SER   6          2HB       SER  80  -9.945  -7.077  -7.077
  584   2HB   SER   6          1HB       SER  80  -9.912  -6.542  -6.542
  585    HG   SER   6           HG       SER  80 -12.001  -5.756  -5.756
  586    H    SER   7           H        SER  81  -9.329  -2.951  -2.951
  587    HA   SER   7           HA       SER  81 -11.269  -1.053  -1.053
  588   1HB   SER   7          2HB       SER  81 -13.081  -2.548  -2.548
  589   2HB   SER   7          1HB       SER  81 -12.331  -3.416  -3.416
  590    HG   SER   7           HG       SER  81 -13.563  -0.872  -0.872
  591    H    LEU   8           H        LEU  82 -11.533   0.511   0.511
  592    HA   LEU   8           HA       LEU  82  -9.916  -0.111  -0.111
  593   1HB   LEU   8          2HB       LEU  82  -8.879   2.199   2.199
  594   2HB   LEU   8          1HB       LEU  82  -8.364   0.968   0.968
  595    HG   LEU   8           HG       LEU  82 -10.337   1.870   1.870
  596   1HD1  LEU   8          1HD1      LEU  82 -10.612   3.519   3.519
  597   2HD1  LEU   8          3HD1      LEU  82  -9.846   4.545   4.545
  598   3HD1  LEU   8          2HD1      LEU  82 -11.380   3.756   3.756
  599   1HD2  LEU   8          3HD2      LEU  82  -7.788   3.436   3.436
  600   2HD2  LEU   8          2HD2      LEU  82  -7.978   2.081   2.081
  601   3HD2  LEU   8          1HD2      LEU  82  -8.800   3.606   3.606
  602    H    LYS   9           H        LYS  83 -12.878   0.548   0.548
  603    HA   LYS   9           HA       LYS  83 -13.320   2.846   2.846
  604   1HB   LYS   9          2HB       LYS  83 -15.150   1.533   1.533
  605   2HB   LYS   9          1HB       LYS  83 -15.461   3.040   3.040
  606   1HG   LYS   9          2HG       LYS  83 -13.975   4.240   4.240
  607   2HG   LYS   9          1HG       LYS  83 -12.901   2.860   2.860
  608   1HD   LYS   9          2HD       LYS  83 -13.789   2.921   2.921
  609   2HD   LYS   9          1HD       LYS  83 -15.043   1.948   1.948
  610   1HE   LYS   9          2HE       LYS  83 -15.115   4.961   4.961
  611   2HE   LYS   9          1HE       LYS  83 -16.128   3.758   3.758
  612   1HZ   LYS   9          3HZ       LYS  83 -16.741   2.994   2.994
  613   2HZ   LYS   9          2HZ       LYS  83 -16.090   4.466   4.466
  614   3HZ   LYS   9          1HZ       LYS  83 -17.413   4.462   4.462
  615    H    SER  10           H        SER  84 -12.749   0.653   0.653
  616    HA   SER  10           HA       SER  84 -13.614  -0.994  -0.994
  617   1HB   SER  10          2HB       SER  84 -15.308   1.471   1.471
  618   2HB   SER  10          1HB       SER  84 -15.839   0.094   0.094
  619    HG   SER  10           HG       SER  84 -14.078   0.257   0.257
  620    H    TYR  11           H        TYR  85 -14.235  -1.738  -1.738
  621    HA   TYR  11           HA       TYR  85 -17.094  -2.229  -2.229
  622   1HB   TYR  11          2HB       TYR  85 -16.364  -3.349  -3.349
  623   2HB   TYR  11          1HB       TYR  85 -15.339  -1.928  -1.928
  624    HD1  TYR  11           HD1      TYR  85 -13.007  -2.138  -2.138
  625    HD2  TYR  11           HD2      TYR  85 -15.495  -5.599  -5.599
  626    HE1  TYR  11           HE1      TYR  85 -10.997  -3.592  -3.592
  627    HE2  TYR  11           HE2      TYR  85 -13.486  -7.052  -7.052
  628    HH   TYR  11           HH       TYR  85 -11.274  -7.125  -7.125
  629    HA   PRO  12           HA       PRO  86 -17.058  -5.856  -5.856
  630   1HB   PRO  12          2HB       PRO  86 -19.605  -6.677  -6.677
  631   2HB   PRO  12          1HB       PRO  86 -19.246  -5.329  -5.329
  632   1HG   PRO  12          2HG       PRO  86 -20.144  -5.275  -5.275
  633   2HG   PRO  12          1HG       PRO  86 -20.574  -4.205  -4.205
  634   1HD   PRO  12          2HD       PRO  86 -18.771  -3.555  -3.555
  635   2HD   PRO  12          1HD       PRO  86 -18.757  -2.862  -2.862
  636    H    ASP  13           HN       ASP  87 -18.485  -8.183  -8.183
  637    HA   ASP  13           HA       ASP  87 -17.271  -8.962  -8.962
  638   1HB   ASP  13          2HB       ASP  87 -17.269 -10.424 -10.424
  639   2HB   ASP  13          1HB       ASP  87 -16.687 -11.117 -11.117

  Start of MODEL    9
    1   1H    ILE   1          1H        ILE   1   7.827  14.415  14.415
    2   2H    ILE   1          3H        ILE   1   8.193  15.554  15.554
    3   3H    ILE   1          2H        ILE   1   7.537  16.066  16.066
    4    HA   ILE   1           HA       ILE   1   5.706  16.134  16.134
    5    HB   ILE   1           HB       ILE   1   5.388  14.158  14.158
    6   1HG1  ILE   1          2HG1      ILE   1   8.283  13.558  13.558
    7   2HG1  ILE   1          1HG1      ILE   1   7.010  12.759  12.759
    8   1HG2  ILE   1          1HG2      ILE   1   6.520  16.403  16.403
    9   2HG2  ILE   1          3HG2      ILE   1   8.050  15.541  15.541
   10   3HG2  ILE   1          2HG2      ILE   1   6.893  15.056  15.056
   11   1HD1  ILE   1          1HD1      ILE   1   6.108  12.525  12.525
   12   2HD1  ILE   1          3HD1      ILE   1   7.851  12.322  12.322
   13   3HD1  ILE   1          2HD1      ILE   1   6.942  11.263  11.263
   14    H    VAL   2           H        VAL   2   3.989  13.918  13.918
   15    HA   VAL   2           HA       VAL   2   3.790  12.749  12.749
   16    HB   VAL   2           HB       VAL   2   1.495  13.691  13.691
   17   1HG1  VAL   2          3HG1      VAL   2   1.363  12.070  12.070
   18   2HG1  VAL   2          2HG1      VAL   2   1.489  13.584  13.584
   19   3HG1  VAL   2          1HG1      VAL   2   0.164  13.336  13.336
   20   1HG2  VAL   2          2HG2      VAL   2   3.027  15.202  15.202
   21   2HG2  VAL   2          1HG2      VAL   2   2.929  15.622  15.622
   22   3HG2  VAL   2          3HG2      VAL   2   1.494  15.732  15.732
   23    H    CYS   3           H        CYS   3   2.565  10.709  10.709
   24    HA   CYS   3           HA       CYS   3   2.265   9.393   9.393
   25   1HB   CYS   3          2HB       CYS   3   3.452   8.070   8.070
   26   2HB   CYS   3          1HB       CYS   3   3.545   7.567   7.567
   27    H    HIS   4           H        HIS   4   0.771   7.558   7.558
   28    HA   HIS   4           HA       HIS   4  -1.363   7.866   7.866
   29   1HB   HIS   4          2HB       HIS   4  -1.222   6.004   6.004
   30   2HB   HIS   4          1HB       HIS   4  -2.655   6.535   6.535
   31    HD1  HIS   4           HD1      HIS   4  -2.467   9.480   9.480
   32    HD2  HIS   4           HD2      HIS   4  -1.306   7.309   7.309
   33    HE1  HIS   4           HE1      HIS   4  -2.546  11.088  11.088
   34    H    THR   5           H        THR   5  -2.117   6.014   6.014
   35    HA   THR   5           HA       THR   5   0.000   3.887   3.887
   36    HB   THR   5           HB       THR   5   0.054   4.060   4.060
   37    HG1  THR   5           HG1      THR   5  -1.998   3.176   3.176
   38   1HG2  THR   5          1HG2      THR   5   0.227   6.442   6.442
   39   2HG2  THR   5          3HG2      THR   5  -1.508   6.616   6.616
   40   3HG2  THR   5          2HG2      THR   5  -0.437   6.269   6.269
   41    H    THR   6           H        THR   6  -0.820   2.305   2.305
   42    HA   THR   6           HA       THR   6  -3.669   1.512   1.512
   43    HB   THR   6           HB       THR   6  -2.464  -0.299  -0.299
   44    HG1  THR   6           HG1      THR   6  -0.430   0.780   0.780
   45   1HG2  THR   6          3HG2      THR   6  -3.488   2.448   2.448
   46   2HG2  THR   6          2HG2      THR   6  -2.527   1.786   1.786
   47   3HG2  THR   6          1HG2      THR   6  -3.970   0.936   0.936
   48    H    ALA   7           H        ALA   7  -0.704   0.908   0.908
   49    HA   ALA   7           HA       ALA   7  -1.323  -1.892  -1.892
   50   1HB   ALA   7          1HB       ALA   7   0.953  -0.039  -0.039
   51   2HB   ALA   7          3HB       ALA   7   0.905  -1.175  -1.175
   52   3HB   ALA   7          2HB       ALA   7   0.929  -1.781  -1.781
   53    H    THR   8           H        THR   8  -2.272   1.054   1.054
   54    HA   THR   8           HA       THR   8  -2.301   0.081   0.081
   55    HB   THR   8           HB       THR   8  -2.829   2.407   2.407
   56    HG1  THR   8           HG1      THR   8  -3.264   3.843   3.843
   57   1HG2  THR   8          1HG2      THR   8  -0.470   1.890   1.890
   58   2HG2  THR   8          3HG2      THR   8  -0.775   2.250   2.250
   59   3HG2  THR   8          2HG2      THR   8  -0.891   3.530   3.530
   60    H    SER   9           H        SER   9  -4.650   1.335   1.335
   61    HA   SER   9           HA       SER   9  -6.685  -0.502  -0.502
   62   1HB   SER   9          2HB       SER   9  -7.231  -0.035  -0.035
   63   2HB   SER   9          1HB       SER   9  -6.253   1.429   1.429
   64    HG   SER   9           HG       SER   9  -7.976   2.483   2.483
   65    HA   PRO  10           HA       PRO  10  -8.394   3.451   3.451
   66   1HB   PRO  10          2HB       PRO  10  -7.042   5.802   5.802
   67   2HB   PRO  10          1HB       PRO  10  -8.210   5.185   5.185
   68   1HG   PRO  10          2HG       PRO  10  -5.280   5.289   5.289
   69   2HG   PRO  10          1HG       PRO  10  -6.474   5.228   5.228
   70   1HD   PRO  10          2HD       PRO  10  -4.902   3.088   3.088
   71   2HD   PRO  10          1HD       PRO  10  -6.189   3.010   3.010
   72    H    ILE  11           H        ILE  11  -7.151   5.547   5.547
   73    HA   ILE  11           HA       ILE  11  -4.789   4.728   4.728
   74    HB   ILE  11           HB       ILE  11  -7.308   3.676   3.676
   75   1HG1  ILE  11          2HG1      ILE  11  -4.487   3.724   3.724
   76   2HG1  ILE  11          1HG1      ILE  11  -5.485   2.347   2.347
   77   1HG2  ILE  11          2HG2      ILE  11  -6.307   5.782   5.782
   78   2HG2  ILE  11          1HG2      ILE  11  -7.484   4.535   4.535
   79   3HG2  ILE  11          3HG2      ILE  11  -7.877   5.756   5.756
   80   1HD1  ILE  11          1HD1      ILE  11  -6.810   3.156   3.156
   81   2HD1  ILE  11          3HD1      ILE  11  -5.161   3.621   3.621
   82   3HD1  ILE  11          2HD1      ILE  11  -5.533   1.945   1.945
   83    H    SER  12           H        SER  12  -3.909   6.700   6.700
   84    HA   SER  12           HA       SER  12  -5.262   8.892   8.892
   85   1HB   SER  12          2HB       SER  12  -5.038  10.281  10.281
   86   2HB   SER  12          1HB       SER  12  -6.455   9.270   9.270
   87    HG   SER  12           HG       SER  12  -5.405   8.964   8.964
   88    H    ALA  13           H        ALA  13  -3.795  10.730  10.730
   89    HA   ALA  13           HA       ALA  13  -1.003   9.867   9.867
   90   1HB   ALA  13          1HB       ALA  13  -2.680  11.760  11.760
   91   2HB   ALA  13          3HB       ALA  13  -1.181  12.517  12.517
   92   3HB   ALA  13          2HB       ALA  13  -1.125  11.082  11.082
   93    H    VAL  14           H        VAL  14  -0.176   9.995   9.995
   94    HA   VAL  14           HA       VAL  14  -0.451  12.656  12.656
   95    HB   VAL  14           HB       VAL  14  -0.387  11.561  11.561
   96   1HG1  VAL  14          3HG1      VAL  14  -2.285  10.764  10.764
   97   2HG1  VAL  14          2HG1      VAL  14  -1.401   9.240   9.240
   98   3HG1  VAL  14          1HG1      VAL  14  -1.991   9.853   9.853
   99   1HG2  VAL  14          1HG2      VAL  14   0.973   9.219   9.219
  100   2HG2  VAL  14          3HG2      VAL  14   1.776  10.442  10.442
  101   3HG2  VAL  14          2HG2      VAL  14   0.617   9.329   9.329
  102    H    THR  15           H        THR  15   1.413  13.674  13.674
  103    HA   THR  15           HA       THR  15   3.778  13.334  13.334
  104    HB   THR  15           HB       THR  15   3.699  14.442  14.442
  105    HG1  THR  15           HG1      THR  15   2.373  15.965  15.965
  106   1HG2  THR  15          1HG2      THR  15   5.409  14.610  14.610
  107   2HG2  THR  15          3HG2      THR  15   4.870  16.214  16.214
  108   3HG2  THR  15          2HG2      THR  15   5.717  15.173  15.173
  109    H    CYS  16           H        CYS  16   5.758  12.244  12.244
  110    HA   CYS  16           HA       CYS  16   5.511  10.085  10.085
  111   1HB   CYS  16          2HB       CYS  16   7.643  10.481  10.481
  112   2HB   CYS  16          1HB       CYS  16   7.130   8.978   8.978
  113    HA   PRO  17           HA       PRO  17   8.514  11.821  11.821
  114   1HB   PRO  17          2HB       PRO  17   9.963   9.613   9.613
  115   2HB   PRO  17          1HB       PRO  17   8.312   9.924   9.924
  116   1HG   PRO  17          2HG       PRO  17   9.259   8.109   8.109
  117   2HG   PRO  17          1HG       PRO  17   7.983   7.863   7.863
  118   1HD   PRO  17          2HD       PRO  17   7.483   8.545   8.545
  119   2HD   PRO  17          1HD       PRO  17   6.418   8.994   8.994
  120    HA   PRO  18           HA       PRO  18  12.364  12.556  12.556
  121   1HB   PRO  18          2HB       PRO  18  14.250  12.299  12.299
  122   2HB   PRO  18          1HB       PRO  18  13.134  13.676  13.676
  123   1HG   PRO  18          2HG       PRO  18  12.968  11.235  11.235
  124   2HG   PRO  18          1HG       PRO  18  12.621  12.923  12.923
  125   1HD   PRO  18          2HD       PRO  18  10.668  11.140  11.140
  126   2HD   PRO  18          1HD       PRO  18  10.520  12.863  12.863
  127    H    GLY  19           H        GLY  19  13.028  11.048  11.048
  128   1HA   GLY  19          2HA       GLY  19  15.041   9.251   9.251
  129   2HA   GLY  19          1HA       GLY  19  13.709   8.311   8.311
  130    H    GLU  20           H        GLU  20  11.608   8.529   8.529
  131    HA   GLU  20           HA       GLU  20  12.192   7.430   7.430
  132   1HB   GLU  20          2HB       GLU  20   9.759   8.481   8.481
  133   2HB   GLU  20          1HB       GLU  20   9.645   7.803   7.803
  134   1HG   GLU  20          2HG       GLU  20   9.270   5.909   5.909
  135   2HG   GLU  20          1HG       GLU  20  11.012   5.813   5.813
  136    H    ASN  21           H        ASN  21  13.190   8.799   8.799
  137    HA   ASN  21           HA       ASN  21  12.694  11.645  11.645
  138   1HB   ASN  21          2HB       ASN  21  13.886   9.764   9.764
  139   2HB   ASN  21          1HB       ASN  21  14.186  11.494  11.494
  140   1HD2  ASN  21          2HD2      ASN  21  15.675  10.303  10.303
  141   2HD2  ASN  21          1HD2      ASN  21  14.077  10.792  10.792
  142    H    LEU  22           H        LEU  22  11.015   8.894   8.894
  143    HA   LEU  22           HA       LEU  22   9.156  10.684  10.684
  144   1HB   LEU  22          2HB       LEU  22   9.382   9.358   9.358
  145   2HB   LEU  22          1HB       LEU  22  10.932  10.064  10.064
  146    HG   LEU  22           HG       LEU  22  10.722   7.547   7.547
  147   1HD1  LEU  22          3HD1      LEU  22   9.102   7.442   7.442
  148   2HD1  LEU  22          2HD1      LEU  22  10.649   6.926   6.926
  149   3HD1  LEU  22          1HD1      LEU  22   9.934   6.045   6.045
  150   1HD2  LEU  22          2HD2      LEU  22  12.392   8.828   8.828
  151   2HD2  LEU  22          1HD2      LEU  22  12.869   8.266   8.266
  152   3HD2  LEU  22          3HD2      LEU  22  12.591   7.103   7.103
  153    H    CYS  23           H        CYS  23   7.617   8.842   8.842
  154    HA   CYS  23           HA       CYS  23   6.569   7.181   7.181
  155   1HB   CYS  23          2HB       CYS  23   5.315   8.035   8.035
  156   2HB   CYS  23          1HB       CYS  23   4.481   7.397   7.397
  157    H    TYR  24           H        TYR  24   5.335   5.141   5.141
  158    HA   TYR  24           HA       TYR  24   6.761   4.104   4.104
  159   1HB   TYR  24          2HB       TYR  24   7.921   2.358   2.358
  160   2HB   TYR  24          1HB       TYR  24   8.245   3.822   3.822
  161    HD1  TYR  24           HD1      TYR  24   7.036   4.254   4.254
  162    HD2  TYR  24           HD2      TYR  24   6.595   0.582   0.582
  163    HE1  TYR  24           HE1      TYR  24   6.052   3.192   3.192
  164    HE2  TYR  24           HE2      TYR  24   5.612  -0.488  -0.488
  165    HH   TYR  24           HH       TYR  24   4.382   1.123   1.123
  166    H    ARG  25           H        ARG  25   6.190   1.670   1.670
  167    HA   ARG  25           HA       ARG  25   3.368   1.211   1.211
  168   1HB   ARG  25          2HB       ARG  25   4.332   0.566   0.566
  169   2HB   ARG  25          1HB       ARG  25   2.678   0.805   0.805
  170   1HG   ARG  25          2HG       ARG  25   3.086   3.193   3.193
  171   2HG   ARG  25          1HG       ARG  25   4.785   2.984   2.984
  172   1HD   ARG  25          2HD       ARG  25   4.281   3.216   3.216
  173   2HD   ARG  25          1HD       ARG  25   3.176   1.830   1.830
  174    HE   ARG  25           HE       ARG  25   1.899   4.049   4.049
  175   1HH1  ARG  25          2HH1      ARG  25   3.119   5.464   5.464
  176   2HH1  ARG  25          1HH1      ARG  25   1.897   5.268   5.268
  177   1HH2  ARG  25          1HH2      ARG  25   0.261   2.717   2.717
  178   2HH2  ARG  25          2HH2      ARG  25   0.279   3.713   3.713
  179    H    LYS  26           H        LYS  26   3.573  -0.758  -0.758
  180    HA   LYS  26           HA       LYS  26   5.539  -2.742  -2.742
  181   1HB   LYS  26          2HB       LYS  26   4.590  -1.904  -1.904
  182   2HB   LYS  26          1HB       LYS  26   4.480  -3.643  -3.643
  183   1HG   LYS  26          2HG       LYS  26   6.761  -3.899  -3.899
  184   2HG   LYS  26          1HG       LYS  26   6.974  -2.235  -2.235
  185   1HD   LYS  26          2HD       LYS  26   5.975  -2.063  -2.063
  186   2HD   LYS  26          1HD       LYS  26   7.224  -3.308  -3.308
  187   1HE   LYS  26          2HE       LYS  26   8.039  -1.003  -1.003
  188   2HE   LYS  26          1HE       LYS  26   7.695  -0.567  -0.567
  189   1HZ   LYS  26          3HZ       LYS  26   8.974  -2.660  -2.660
  190   2HZ   LYS  26          2HZ       LYS  26   9.544  -2.647  -2.647
  191   3HZ   LYS  26          1HZ       LYS  26   9.891  -1.348  -1.348
  192    H    MET  27           H        MET  27   4.844  -5.032  -5.032
  193    HA   MET  27           HA       MET  27   1.973  -5.579  -5.579
  194   1HB   MET  27          2HB       MET  27   3.466  -4.975  -4.975
  195   2HB   MET  27          1HB       MET  27   3.012  -6.679  -6.679
  196   1HG   MET  27          2HG       MET  27   0.665  -6.084  -6.084
  197   2HG   MET  27          1HG       MET  27   1.102  -4.380  -4.380
  198   1HE   MET  27          2HE       MET  27  -1.053  -5.072  -5.072
  199   2HE   MET  27          1HE       MET  27  -0.960  -4.900  -4.900
  200   3HE   MET  27          3HE       MET  27  -0.781  -6.494  -6.494
  201    H    TRP  28           H        TRP  28   1.573  -7.914  -7.914
  202    HA   TRP  28           HA       TRP  28   3.730  -9.810  -9.810
  203   1HB   TRP  28          2HB       TRP  28   3.368 -10.007 -10.007
  204   2HB   TRP  28          1HB       TRP  28   4.582  -8.956  -8.956
  205    HD1  TRP  28           HD1      TRP  28   0.745  -8.485  -8.485
  206    HE1  TRP  28           HE1      TRP  28   0.452  -6.261  -6.261
  207    HE3  TRP  28           HE3      TRP  28   5.598  -6.971  -6.971
  208    HZ2  TRP  28           HZ2      TRP  28   2.072  -4.129  -4.129
  209    HZ3  TRP  28           HZ3      TRP  28   6.206  -4.849  -4.849
  210    HH2  TRP  28           HH2      TRP  28   4.444  -3.417  -3.417
  211    H    CYS  29           H        CYS  29   1.528 -10.073 -10.073
  212    HA   CYS  29           HA       CYS  29  -0.816 -11.140 -11.140
  213   1HB   CYS  29          2HB       CYS  29   1.454 -12.743 -12.743
  214   2HB   CYS  29          1HB       CYS  29   0.625 -13.503 -13.503
  215    H    ASP  30           H        ASP  30  -2.218 -11.034 -11.034
  216    HA   ASP  30           HA       ASP  30  -1.253 -10.559 -10.559
  217   1HB   ASP  30          2HB       ASP  30  -3.353  -9.691  -9.691
  218   2HB   ASP  30          1HB       ASP  30  -3.984 -11.333 -11.333
  219    H    ALA  31           H        ALA  31  -2.157 -11.943 -11.943
  220    HA   ALA  31           HA       ALA  31  -0.908 -14.419 -14.419
  221   1HB   ALA  31          3HB       ALA  31  -2.383 -12.812 -12.812
  222   2HB   ALA  31          2HB       ALA  31  -3.520 -14.140 -14.140
  223   3HB   ALA  31          1HB       ALA  31  -1.921 -14.456 -14.456
  224    H    PHE  32           H        PHE  32  -3.871 -13.693 -13.693
  225    HA   PHE  32           HA       PHE  32  -4.589 -16.578 -16.578
  226   1HB   PHE  32          2HB       PHE  32  -5.919 -13.941 -13.941
  227   2HB   PHE  32          1HB       PHE  32  -6.591 -15.445 -15.445
  228    HD1  PHE  32           HD2      PHE  32  -6.403 -17.428 -17.428
  229    HD2  PHE  32           HD1      PHE  32  -6.973 -13.215 -13.215
  230    HE1  PHE  32           HE2      PHE  32  -7.442 -17.891 -17.891
  231    HE2  PHE  32           HE1      PHE  32  -8.011 -13.679 -13.679
  232    HZ   PHE  32           HZ       PHE  32  -8.246 -16.017 -16.017
  233    H    CYS  33           H        CYS  33  -3.366 -13.911 -13.911
  234    HA   CYS  33           HA       CYS  33  -2.745 -13.856 -13.856
  235   1HB   CYS  33          2HB       CYS  33  -1.181 -15.452 -15.452
  236   2HB   CYS  33          1HB       CYS  33  -2.066 -16.756 -16.756
  237    H    SER  34           H        SER  34  -5.156 -13.797 -13.797
  238    HA   SER  34           HA       SER  34  -6.391 -16.331 -16.331
  239   1HB   SER  34          2HB       SER  34  -7.474 -14.376 -14.376
  240   2HB   SER  34          1HB       SER  34  -7.440 -13.509 -13.509
  241    HG   SER  34           HG       SER  34  -8.499 -16.116 -16.116
  242    H    SER  35           H        SER  35  -7.735 -15.989 -15.989
  243    HA   SER  35           HA       SER  35  -5.757 -15.655 -15.655
  244   1HB   SER  35          2HB       SER  35  -7.287 -16.903 -16.903
  245   2HB   SER  35          1HB       SER  35  -7.835 -17.309 -17.309
  246    HG   SER  35           HG       SER  35  -9.343 -15.595 -15.595
  247    H    ARG  36           H        ARG  36  -7.525 -13.450 -13.450
  248    HA   ARG  36           HA       ARG  36  -8.557 -11.829 -11.829
  249   1HB   ARG  36          2HB       ARG  36  -8.066 -10.977 -10.977
  250   2HB   ARG  36          1HB       ARG  36  -9.309 -10.399 -10.399
  251   1HG   ARG  36          2HG       ARG  36  -9.147 -13.161 -13.161
  252   2HG   ARG  36          1HG       ARG  36 -10.320 -11.905 -11.905
  253   1HD   ARG  36          2HD       ARG  36 -10.250 -12.438 -12.438
  254   2HD   ARG  36          1HD       ARG  36 -10.647 -13.895 -13.895
  255    HE   ARG  36           HE       ARG  36 -12.217 -11.386 -11.386
  256   1HH1  ARG  36          1HH2      ARG  36 -11.414 -13.412 -13.412
  257   2HH1  ARG  36          2HH2      ARG  36 -13.009 -14.023 -14.023
  258   1HH2  ARG  36          2HH1      ARG  36 -14.354 -12.628 -12.628
  259   2HH2  ARG  36          1HH1      ARG  36 -14.673 -13.579 -13.579
  260    H    GLY  37           H        GLY  37  -5.505 -12.532 -12.532
  261   1HA   GLY  37          2HA       GLY  37  -3.611 -11.359 -11.359
  262   2HA   GLY  37          1HA       GLY  37  -4.504  -9.845  -9.845
  263    H    LYS  38           H        LYS  38  -2.255  -9.378  -9.378
  264    HA   LYS  38           HA       LYS  38  -2.092 -10.427 -10.427
  265   1HB   LYS  38          2HB       LYS  38  -0.375  -8.293  -8.293
  266   2HB   LYS  38          1HB       LYS  38   0.069  -9.483  -9.483
  267   1HG   LYS  38          2HG       LYS  38  -0.271  -9.837  -9.837
  268   2HG   LYS  38          1HG       LYS  38   1.074 -10.332 -10.332
  269   1HD   LYS  38          2HD       LYS  38  -0.969 -11.769 -11.769
  270   2HD   LYS  38          1HD       LYS  38  -1.463 -11.732 -11.732
  271   1HE   LYS  38          2HE       LYS  38   1.243 -12.654 -12.654
  272   2HE   LYS  38          1HE       LYS  38  -0.031 -13.689 -13.689
  273   1HZ   LYS  38          1HZ       LYS  38   0.112 -11.883 -11.883
  274   2HZ   LYS  38          3HZ       LYS  38   1.711 -11.772 -11.772
  275   3HZ   LYS  38          2HZ       LYS  38   1.105 -13.261 -13.261
  276    H    VAL  39           H        VAL  39  -0.838  -7.562  -7.562
  277    HA   VAL  39           HA       VAL  39  -3.420  -6.149  -6.149
  278    HB   VAL  39           HB       VAL  39  -0.957  -5.876  -5.876
  279   1HG1  VAL  39          3HG1      VAL  39  -3.764  -5.067  -5.067
  280   2HG1  VAL  39          2HG1      VAL  39  -3.272  -5.868  -5.868
  281   3HG1  VAL  39          1HG1      VAL  39  -2.401  -4.442  -4.442
  282   1HG2  VAL  39          1HG2      VAL  39  -2.746  -8.233  -8.233
  283   2HG2  VAL  39          3HG2      VAL  39  -1.098  -8.128  -8.128
  284   3HG2  VAL  39          2HG2      VAL  39  -2.454  -7.654  -7.654
  285    H    VAL  40           H        VAL  40  -2.292  -3.774  -3.774
  286    HA   VAL  40           HA       VAL  40  -0.225  -2.936  -2.936
  287    HB   VAL  40           HB       VAL  40  -2.550  -1.146  -1.146
  288   1HG1  VAL  40          2HG1      VAL  40  -0.587  -2.443  -2.443
  289   2HG1  VAL  40          1HG1      VAL  40  -2.093  -1.850  -1.850
  290   3HG1  VAL  40          3HG1      VAL  40  -1.026  -0.741  -0.741
  291   1HG2  VAL  40          2HG2      VAL  40  -3.746  -3.313  -3.313
  292   2HG2  VAL  40          1HG2      VAL  40  -3.984  -2.591  -2.591
  293   3HG2  VAL  40          3HG2      VAL  40  -2.855  -3.939  -3.939
  294    H    GLU  41           H        GLU  41   0.695  -2.814  -2.814
  295    HA   GLU  41           HA       GLU  41  -0.424  -0.872  -0.872
  296   1HB   GLU  41          2HB       GLU  41   2.013  -2.621  -2.621
  297   2HB   GLU  41          1HB       GLU  41   0.996  -1.978  -1.978
  298   1HG   GLU  41          2HG       GLU  41  -0.786  -3.372  -3.372
  299   2HG   GLU  41          1HG       GLU  41   0.645  -4.401  -4.401
  300    H    LEU  42           H        LEU  42   0.202   0.970   0.970
  301    HA   LEU  42           HA       LEU  42   3.006   1.642   1.642
  302   1HB   LEU  42          2HB       LEU  42   0.695   3.577   3.577
  303   2HB   LEU  42          1HB       LEU  42   2.123   3.551   3.551
  304    HG   LEU  42           HG       LEU  42   0.963   1.119   1.119
  305   1HD1  LEU  42          3HD1      LEU  42  -1.057   2.987   2.987
  306   2HD1  LEU  42          2HD1      LEU  42  -1.422   2.385   2.385
  307   3HD1  LEU  42          1HD1      LEU  42  -1.180   1.251   1.251
  308   1HD2  LEU  42          3HD2      LEU  42   1.444   3.682   3.682
  309   2HD2  LEU  42          2HD2      LEU  42   1.400   2.089   2.089
  310   3HD2  LEU  42          1HD2      LEU  42  -0.084   3.022   3.022
  311    H    GLY  43           H        GLY  43   3.615   3.966   3.966
  312   1HA   GLY  43          2HA       GLY  43   2.595   5.172   5.172
  313   2HA   GLY  43          1HA       GLY  43   3.524   3.823   3.823
  314    H    CYS  44           H        CYS  44   5.378   4.798   4.798
  315    HA   CYS  44           HA       CYS  44   6.800   6.743   6.743
  316   1HB   CYS  44          2HB       CYS  44   7.115   6.340   6.340
  317   2HB   CYS  44          1HB       CYS  44   7.572   7.737   7.737
  318    H    ALA  45           H        ALA  45   9.189   6.626   6.626
  319    HA   ALA  45           HA       ALA  45  10.531   4.397   4.397
  320   1HB   ALA  45          1HB       ALA  45   9.113   3.768   3.768
  321   2HB   ALA  45          3HB       ALA  45  10.691   4.154   4.154
  322   3HB   ALA  45          2HB       ALA  45  10.546   2.888   2.888
  323    H    ALA  46           H        ALA  46  12.775   4.678   4.678
  324    HA   ALA  46           HA       ALA  46  13.866   7.237   7.237
  325   1HB   ALA  46          3HB       ALA  46  14.815   5.384   5.384
  326   2HB   ALA  46          2HB       ALA  46  15.228   4.528   4.528
  327   3HB   ALA  46          1HB       ALA  46  16.004   6.066   6.066
  328    H    THR  47           H        THR  47  13.974   4.340   4.340
  329    HA   THR  47           HA       THR  47  14.057   6.003   6.003
  330    HB   THR  47           HB       THR  47  16.386   6.074   6.074
  331    HG1  THR  47           HG1      THR  47  15.962   4.302   4.302
  332   1HG2  THR  47          3HG2      THR  47  15.874   3.602   3.602
  333   2HG2  THR  47          2HG2      THR  47  16.838   3.182   3.182
  334   3HG2  THR  47          1HG2      THR  47  17.491   4.278   4.278
  335    H    CYS  48           H        CYS  48  13.710   4.682   4.682
  336    HA   CYS  48           HA       CYS  48  11.960   2.572   2.572
  337   1HB   CYS  48          2HB       CYS  48  14.322   2.873   2.873
  338   2HB   CYS  48          1HB       CYS  48  12.831   1.998   1.998
  339    HA   PRO  49           HA       PRO  49  14.735  -0.344  -0.344
  340   1HB   PRO  49          2HB       PRO  49  12.726  -1.785  -1.785
  341   2HB   PRO  49          1HB       PRO  49  13.352  -0.272  -0.272
  342   1HG   PRO  49          2HG       PRO  49  10.861  -0.767  -0.767
  343   2HG   PRO  49          1HG       PRO  49  11.167   0.361   0.361
  344   1HD   PRO  49          2HD       PRO  49  11.040   1.062   1.062
  345   2HD   PRO  49          1HD       PRO  49  11.858   2.008   2.008
  346    H    SER  50           H        SER  50  15.289  -2.458  -2.458
  347    HA   SER  50           HA       SER  50  13.396  -3.970  -3.970
  348   1HB   SER  50          2HB       SER  50  14.886  -2.253  -2.253
  349   2HB   SER  50          1HB       SER  50  16.203  -3.372  -3.372
  350    HG   SER  50           HG       SER  50  14.860  -5.009  -5.009
  351    H    LYS  51           H        LYS  51  15.237  -4.090  -4.090
  352    HA   LYS  51           HA       LYS  51  16.852  -6.487  -6.487
  353   1HB   LYS  51          2HB       LYS  51  17.465  -6.206  -6.206
  354   2HB   LYS  51          1HB       LYS  51  17.590  -4.674  -4.674
  355   1HG   LYS  51          2HG       LYS  51  15.689  -3.790  -3.790
  356   2HG   LYS  51          1HG       LYS  51  15.006  -5.380  -5.380
  357   1HD   LYS  51          2HD       LYS  51  15.919  -4.141  -4.141
  358   2HD   LYS  51          1HD       LYS  51  16.566  -5.764  -5.764
  359   1HE   LYS  51          2HE       LYS  51  18.674  -4.980  -4.980
  360   2HE   LYS  51          1HE       LYS  51  18.089  -3.666  -3.666
  361   1HZ   LYS  51          3HZ       LYS  51  17.108  -2.786  -2.786
  362   2HZ   LYS  51          2HZ       LYS  51  18.314  -3.750  -3.750
  363   3HZ   LYS  51          1HZ       LYS  51  18.741  -2.505  -2.505
  364    H    LYS  52           H        LYS  52  14.404  -7.312  -7.312
  365    HA   LYS  52           HA       LYS  52  13.680  -9.189  -9.189
  366   1HB   LYS  52          2HB       LYS  52  11.850  -7.100  -7.100
  367   2HB   LYS  52          1HB       LYS  52  11.251  -8.492  -8.492
  368   1HG   LYS  52          2HG       LYS  52  13.180  -6.413  -6.413
  369   2HG   LYS  52          1HG       LYS  52  11.461  -6.507  -6.507
  370   1HD   LYS  52          2HD       LYS  52  11.851  -8.834  -8.834
  371   2HD   LYS  52          1HD       LYS  52  13.581  -8.579  -8.579
  372   1HE   LYS  52          2HE       LYS  52  12.733  -6.302  -6.302
  373   2HE   LYS  52          1HE       LYS  52  11.891  -7.658  -7.658
  374   1HZ   LYS  52          3HZ       LYS  52  14.001  -8.871  -8.871
  375   2HZ   LYS  52          2HZ       LYS  52  14.795  -7.523  -7.523
  376   3HZ   LYS  52          1HZ       LYS  52  14.102  -7.427  -7.427
  377    HA   PRO  53           HA       PRO  53  13.741 -11.112 -11.112
  378   1HB   PRO  53          2HB       PRO  53  14.364 -13.602 -13.602
  379   2HB   PRO  53          1HB       PRO  53  15.566 -12.340 -12.340
  380   1HG   PRO  53          2HG       PRO  53  14.347 -13.134 -13.134
  381   2HG   PRO  53          1HG       PRO  53  16.028 -12.730 -12.730
  382   1HD   PRO  53          2HD       PRO  53  14.366 -10.967 -10.967
  383   2HD   PRO  53          1HD       PRO  53  15.642 -10.461 -10.461
  384    H    TYR  54           H        TYR  54  11.482 -11.142 -11.142
  385    HA   TYR  54           HA       TYR  54   9.790 -13.098 -13.098
  386   1HB   TYR  54          2HB       TYR  54   8.838 -13.440 -13.440
  387   2HB   TYR  54          1HB       TYR  54  10.194 -14.387 -14.387
  388    HD1  TYR  54           HD2      TYR  54  12.552 -13.498 -13.498
  389    HD2  TYR  54           HD1      TYR  54   9.096 -12.052 -12.052
  390    HE1  TYR  54           HE2      TYR  54  14.016 -12.570 -12.570
  391    HE2  TYR  54           HE1      TYR  54  10.557 -11.128 -11.128
  392    HH   TYR  54           HH       TYR  54  12.656 -10.731 -10.731
  393    H    GLU  55           H        GLU  55  10.192  -9.966  -9.966
  394    HA   GLU  55           HA       GLU  55   7.240  -9.459  -9.459
  395   1HB   GLU  55          2HB       GLU  55   9.567  -8.060  -8.060
  396   2HB   GLU  55          1HB       GLU  55   7.905  -7.467  -7.467
  397   1HG   GLU  55          2HG       GLU  55   7.168  -9.567  -9.567
  398   2HG   GLU  55          1HG       GLU  55   8.826 -10.170 -10.170
  399    H    GLU  56           H        GLU  56   6.767  -7.128  -7.128
  400    HA   GLU  56           HA       GLU  56   8.681  -6.208  -6.208
  401   1HB   GLU  56          2HB       GLU  56   6.020  -7.433  -7.433
  402   2HB   GLU  56          1HB       GLU  56   6.181  -5.908  -5.908
  403   1HG   GLU  56          2HG       GLU  56   8.030  -6.706  -6.706
  404   2HG   GLU  56          1HG       GLU  56   8.257  -8.095  -8.095
  405    H    VAL  57           H        VAL  57   9.134  -4.202  -4.202
  406    HA   VAL  57           HA       VAL  57   6.797  -2.528  -2.528
  407    HB   VAL  57           HB       VAL  57   8.308  -2.942  -2.942
  408   1HG1  VAL  57          3HG1      VAL  57  10.445  -2.357  -2.357
  409   2HG1  VAL  57          2HG1      VAL  57  10.783  -2.373  -2.373
  410   3HG1  VAL  57          1HG1      VAL  57  10.206  -3.835  -3.835
  411   1HG2  VAL  57          3HG2      VAL  57   7.634  -0.506  -0.506
  412   2HG2  VAL  57          2HG2      VAL  57   9.010  -0.745  -0.745
  413   3HG2  VAL  57          1HG2      VAL  57   9.276  -0.298  -0.298
  414    H    THR  58           H        THR  58   7.126  -0.127  -0.127
  415    HA   THR  58           HA       THR  58   8.840   0.441   0.441
  416    HB   THR  58           HB       THR  58   6.132   1.594   1.594
  417    HG1  THR  58           HG1      THR  58   6.477  -1.202  -1.202
  418   1HG2  THR  58          2HG2      THR  58   8.139   1.259   1.259
  419   2HG2  THR  58          1HG2      THR  58   7.230  -0.215  -0.215
  420   3HG2  THR  58          3HG2      THR  58   6.451   1.358   1.358
  421    H    CYS  59           H        CYS  59   7.802   3.064   3.064
  422    HA   CYS  59           HA       CYS  59   8.211   4.373   4.373
  423   1HB   CYS  59          2HB       CYS  59   9.736   4.581   4.581
  424   2HB   CYS  59          1HB       CYS  59   9.456   6.077   6.077
  425    H    CYS  60           H        CYS  60   7.903   6.834   6.834
  426    HA   CYS  60           HA       CYS  60   6.178   7.732   7.732
  427   1HB   CYS  60          2HB       CYS  60   4.256   6.808   6.808
  428   2HB   CYS  60          1HB       CYS  60   5.020   6.372   6.372
  429    H    SER  61           H        SER  61   6.864   9.827   9.827
  430    HA   SER  61           HA       SER  61   7.590  11.239  11.239
  431   1HB   SER  61          2HB       SER  61   9.042  12.564  12.564
  432   2HB   SER  61          1HB       SER  61   9.509  10.895  10.895
  433    HG   SER  61           HG       SER  61   8.804  10.315  10.315
  434    H    THR  62           H        THR  62   5.423  11.340  11.340
  435    HA   THR  62           HA       THR  62   5.065  14.224  14.224
  436    HB   THR  62           HB       THR  62   2.849  12.428  12.428
  437    HG1  THR  62           HG1      THR  62   5.159  12.334  12.334
  438   1HG2  THR  62          3HG2      THR  62   4.475  14.654  14.654
  439   2HG2  THR  62          2HG2      THR  62   3.341  13.706  13.706
  440   3HG2  THR  62          1HG2      THR  62   2.760  14.647  14.647
  441    H    ASP  63           H        ASP  63   2.801  15.150  15.150
  442    HA   ASP  63           HA       ASP  63   2.278  14.948  14.948
  443   1HB   ASP  63          2HB       ASP  63   0.960  16.065  16.065
  444   2HB   ASP  63          1HB       ASP  63  -0.012  15.964  15.964
  445    H    LYS  64           H        LYS  64   1.363  13.242  13.242
  446    HA   LYS  64           HA       LYS  64   0.143  11.236  11.236
  447   1HB   LYS  64          2HB       LYS  64  -1.772  12.834  12.834
  448   2HB   LYS  64          1HB       LYS  64  -2.216  11.581  11.581
  449   1HG   LYS  64          2HG       LYS  64  -1.147  12.964  12.964
  450   2HG   LYS  64          1HG       LYS  64  -0.916  14.248  14.248
  451   1HD   LYS  64          2HD       LYS  64  -3.615  13.438  13.438
  452   2HD   LYS  64          1HD       LYS  64  -3.292  13.579  13.579
  453   1HE   LYS  64          2HE       LYS  64  -2.050  15.800  15.800
  454   2HE   LYS  64          1HE       LYS  64  -3.752  15.701  15.701
  455   1HZ   LYS  64          1HZ       LYS  64  -4.300  15.350  15.350
  456   2HZ   LYS  64          3HZ       LYS  64  -2.687  15.702  15.702
  457   3HZ   LYS  64          2HZ       LYS  64  -3.665  16.890  16.890
  458    H    CYS  65           H        CYS  65   1.963  10.729  10.729
  459    HA   CYS  65           HA       CYS  65   0.534   9.689   9.689
  460   1HB   CYS  65          2HB       CYS  65   2.949   9.008   9.008
  461   2HB   CYS  65          1HB       CYS  65   2.557  10.720  10.720
  462    H    ASN  66           H        ASN  66   0.173   8.505   8.505
  463    HA   ASN  66           HA       ASN  66   1.299   5.781   5.781
  464   1HB   ASN  66          2HB       ASN  66   0.897   7.560   7.560
  465   2HB   ASN  66          1HB       ASN  66   0.079   6.029   6.029
  466   1HD2  ASN  66          2HD2      ASN  66   3.983   5.385   5.385
  467   2HD2  ASN  66          1HD2      ASN  66   2.975   6.203   6.203
  468    HA   PRO  67           HA       PRO  67  -3.475   5.518   5.518
  469   1HB   PRO  67          2HB       PRO  67  -4.302   6.186   6.186
  470   2HB   PRO  67          1HB       PRO  67  -4.198   7.370   7.370
  471   1HG   PRO  67          2HG       PRO  67  -2.387   6.938   6.938
  472   2HG   PRO  67          1HG       PRO  67  -2.797   8.432   8.432
  473   1HD   PRO  67          2HD       PRO  67  -0.455   6.974   6.974
  474   2HD   PRO  67          1HD       PRO  67  -1.088   8.190   8.190
  475    H    HIS  68           H        HIS  68  -2.582   3.279   3.279
  476    HA   HIS  68           HA       HIS  68  -1.539   1.820   1.820
  477   1HB   HIS  68          2HB       HIS  68  -2.770  -0.115  -0.115
  478   2HB   HIS  68          1HB       HIS  68  -1.900   0.872   0.872
  479    HD1  HIS  68           HD1      HIS  68  -5.006  -0.748  -0.748
  480    HD2  HIS  68           HD2      HIS  68  -3.903   2.975   2.975
  481    HE1  HIS  68           HE1      HIS  68  -6.931   0.040   0.040
  482    HA   PRO  69           HA       PRO  69  -4.556   1.600   1.600
  483   1HB   PRO  69          2HB       PRO  69  -4.247  -0.949  -0.949
  484   2HB   PRO  69          1HB       PRO  69  -3.048   0.331   0.331
  485   1HG   PRO  69          2HG       PRO  69  -3.013  -1.919  -1.919
  486   2HG   PRO  69          1HG       PRO  69  -1.678  -1.163  -1.163
  487   1HD   PRO  69          2HD       PRO  69  -2.277  -0.694  -0.694
  488   2HD   PRO  69          1HD       PRO  69  -1.349   0.408   0.408
  489    H    LYS  70           H        LYS  70  -6.228   1.641   1.641
  490    HA   LYS  70           HA       LYS  70  -8.234  -0.390  -0.390
  491   1HB   LYS  70          2HB       LYS  70  -6.333  -0.556  -0.556
  492   2HB   LYS  70          1HB       LYS  70  -8.021  -0.794  -0.794
  493   1HG   LYS  70          2HG       LYS  70  -6.287  -2.440  -2.440
  494   2HG   LYS  70          1HG       LYS  70  -7.266  -2.965  -2.965
  495   1HD   LYS  70          2HD       LYS  70  -8.207  -2.136  -2.136
  496   2HD   LYS  70          1HD       LYS  70  -8.447  -3.679  -3.679
  497   1HE   LYS  70          2HE       LYS  70 -10.371  -2.931  -2.931
  498   2HE   LYS  70          1HE       LYS  70  -9.524  -1.550  -1.550
  499   1HZ   LYS  70          3HZ       LYS  70  -9.865  -1.425  -1.425
  500   2HZ   LYS  70          2HZ       LYS  70 -11.312  -1.340  -1.340
  501   3HZ   LYS  70          1HZ       LYS  70 -10.073  -0.214  -0.214
  502    H    GLN  71           H        GLN  71  -9.458   1.598   1.598
  503    HA   GLN  71           HA       GLN  71 -10.175   3.012   3.012
  504   1HB   GLN  71          2HB       GLN  71  -9.940   4.144   4.144
  505   2HB   GLN  71          1HB       GLN  71 -10.336   5.059   5.059
  506   1HG   GLN  71          2HG       GLN  71  -7.871   3.451   3.451
  507   2HG   GLN  71          1HG       GLN  71  -7.799   4.755   4.755
  508   1HE2  GLN  71          2HE2      GLN  71  -7.957   5.649   5.649
  509   2HE2  GLN  71          1HE2      GLN  71  -8.110   4.044   4.044
  510    H    ARG  72           H        ARG  72 -11.610   0.770   0.770
  511    HA   ARG  72           HA       ARG  72 -14.288   1.802   1.802
  512   1HB   ARG  72          2HB       ARG  72 -12.800   1.704   1.704
  513   2HB   ARG  72          1HB       ARG  72 -13.837   0.279   0.279
  514   1HG   ARG  72          2HG       ARG  72 -15.816   1.651   1.651
  515   2HG   ARG  72          1HG       ARG  72 -14.810   3.089   3.089
  516   1HD   ARG  72          2HD       ARG  72 -13.944   2.289   2.289
  517   2HD   ARG  72          1HD       ARG  72 -15.595   1.641   1.641
  518    HE   ARG  72           HE       ARG  72 -16.260   4.024   4.024
  519   1HH1  ARG  72          2HH1      ARG  72 -13.211   4.693   4.693
  520   2HH1  ARG  72          1HH1      ARG  72 -13.288   5.617   5.617
  521   1HH2  ARG  72          1HH2      ARG  72 -16.512   4.609   4.609
  522   2HH2  ARG  72          2HH2      ARG  72 -15.157   5.569   5.569
  523    HA   PRO  73           HA       PRO  73 -14.379  -2.364  -2.364
  524   1HB   PRO  73          2HB       PRO  73 -16.935  -2.201  -2.201
  525   2HB   PRO  73          1HB       PRO  73 -15.536  -1.499  -1.499
  526   1HG   PRO  73          2HG       PRO  73 -17.580  -0.170  -0.170
  527   2HG   PRO  73          1HG       PRO  73 -16.809   0.400   0.400
  528   1HD   PRO  73          2HD       PRO  73 -16.084   1.250   1.250
  529   2HD   PRO  73          1HD       PRO  73 -14.967   1.196   1.196
  530    H    GLY  74           HN       GLY  74 -14.925  -4.184  -4.184
  531   1HA   GLY  74          2HA       GLY  74 -16.790  -5.474  -5.474
  532   2HA   GLY  74          1HA       GLY  74 -17.228  -3.979  -3.979
  533   1H    MET   1          1H        MET  75 -11.802  -6.858  -6.858
  534   2H    MET   1          3H        MET  75 -13.409  -7.153  -7.153
  535   3H    MET   1          2H        MET  75 -12.914  -5.577  -5.577
  536    HA   MET   1           HA       MET  75 -12.967  -5.544  -5.544
  537   1HB   MET   1          2HB       MET  75 -12.966  -8.256  -8.256
  538   2HB   MET   1          1HB       MET  75 -11.373  -8.016  -8.016
  539   1HG   MET   1          2HG       MET  75 -12.878  -6.438  -6.438
  540   2HG   MET   1          1HG       MET  75 -14.059  -7.679  -7.679
  541   1HE   MET   1          2HE       MET  75 -14.571  -9.012  -9.012
  542   2HE   MET   1          1HE       MET  75 -13.648 -10.340 -10.340
  543   3HE   MET   1          3HE       MET  75 -13.875  -8.842  -8.842
  544    H    ARG   2           H        ARG  76 -11.146  -4.375  -4.375
  545    HA   ARG   2           HA       ARG  76  -8.925  -3.687  -3.687
  546   1HB   ARG   2          2HB       ARG  76  -8.773  -6.286  -6.286
  547   2HB   ARG   2          1HB       ARG  76  -7.706  -5.325  -5.325
  548   1HG   ARG   2          2HG       ARG  76  -6.290  -4.769  -4.769
  549   2HG   ARG   2          1HG       ARG  76  -7.545  -4.981  -4.981
  550   1HD   ARG   2          2HD       ARG  76  -7.029  -7.470  -7.470
  551   2HD   ARG   2          1HD       ARG  76  -5.571  -6.851  -6.851
  552    HE   ARG   2           HE       ARG  76  -7.841  -7.931  -7.931
  553   1HH1  ARG   2          1HH2      ARG  76  -4.943  -6.358  -6.358
  554   2HH1  ARG   2          2HH2      ARG  76  -5.365  -5.617  -5.617
  555   1HH2  ARG   2          2HH1      ARG  76  -8.711  -6.505  -6.505
  556   2HH2  ARG   2          1HH1      ARG  76  -7.498  -5.701  -5.701
  557    H    TYR   3           H        TYR  77  -7.069  -2.770  -2.770
  558    HA   TYR   3           HA       TYR  77  -8.255  -1.382  -1.382
  559   1HB   TYR   3          2HB       TYR  77  -5.529  -0.627  -0.627
  560   2HB   TYR   3          1HB       TYR  77  -6.962   0.390   0.390
  561    HD1  TYR   3           HD2      TYR  77  -4.892  -1.789  -1.789
  562    HD2  TYR   3           HD1      TYR  77  -8.283   0.844   0.844
  563    HE1  TYR   3           HE2      TYR  77  -4.933  -1.708  -1.708
  564    HE2  TYR   3           HE1      TYR  77  -8.321   0.925   0.925
  565    HH   TYR   3           HH       TYR  77  -6.270   0.508   0.508
  566    H    TYR   4           H        TYR  78  -7.817  -4.056  -4.056
  567    HA   TYR   4           HA       TYR  78  -5.232  -4.945  -4.945
  568   1HB   TYR   4          2HB       TYR  78  -7.983  -5.826  -5.826
  569   2HB   TYR   4          1HB       TYR  78  -7.273  -6.413  -6.413
  570    HD1  TYR   4           HD2      TYR  78  -5.497  -5.762  -5.762
  571    HD2  TYR   4           HD1      TYR  78  -6.997  -8.713  -8.713
  572    HE1  TYR   4           HE2      TYR  78  -4.314  -7.538  -7.538
  573    HE2  TYR   4           HE1      TYR  78  -5.820 -10.489 -10.489
  574    HH   TYR   4           HH       TYR  78  -4.881 -10.901 -10.901
  575    H    GLU   5           H        GLU  79  -5.574  -6.157  -6.157
  576    HA   GLU   5           HA       GLU  79  -5.380  -3.959  -3.959
  577   1HB   GLU   5          2HB       GLU  79  -3.695  -5.668  -5.668
  578   2HB   GLU   5          1HB       GLU  79  -4.906  -6.951  -6.951
  579   1HG   GLU   5          2HG       GLU  79  -5.356  -6.730  -6.730
  580   2HG   GLU   5          1HG       GLU  79  -5.098  -4.985  -4.985
  581    H    SER   6           H        SER  80  -7.996  -5.032  -5.032
  582    HA   SER   6           HA       SER  80  -9.564  -5.041  -5.041
  583   1HB   SER   6          2HB       SER  80 -10.662  -7.131  -7.131
  584   2HB   SER   6          1HB       SER  80  -8.922  -7.406  -7.406
  585    HG   SER   6           HG       SER  80 -10.684  -6.999  -6.999
  586    H    SER   7           H        SER  81  -9.177  -3.206  -3.206
  587    HA   SER   7           HA       SER  81 -11.842  -2.361  -2.361
  588   1HB   SER   7          2HB       SER  81 -11.684  -3.211  -3.211
  589   2HB   SER   7          1HB       SER  81 -12.392  -4.209  -4.209
  590    HG   SER   7           HG       SER  81 -10.688  -5.478  -5.478
  591    H    LEU   8           H        LEU  82 -11.914  -0.674  -0.674
  592    HA   LEU   8           HA       LEU  82  -9.221   0.575   0.575
  593   1HB   LEU   8          2HB       LEU  82 -11.959   1.452   1.452
  594   2HB   LEU   8          1HB       LEU  82 -11.188   2.400   2.400
  595    HG   LEU   8           HG       LEU  82 -10.175   1.934   1.934
  596   1HD1  LEU   8          2HD1      LEU  82 -11.193   4.304   4.304
  597   2HD1  LEU   8          1HD1      LEU  82 -10.165   4.519   4.519
  598   3HD1  LEU   8          3HD1      LEU  82 -11.727   3.714   3.714
  599   1HD2  LEU   8          2HD2      LEU  82  -8.684   2.350   2.350
  600   2HD2  LEU   8          1HD2      LEU  82  -8.075   2.254   2.254
  601   3HD2  LEU   8          3HD2      LEU  82  -8.573   3.809   3.809
  602    H    LYS   9           H        LYS  83 -12.263   0.502   0.502
  603    HA   LYS   9           HA       LYS  83 -10.722   0.777   0.777
  604   1HB   LYS   9          2HB       LYS  83 -13.717   0.575   0.575
  605   2HB   LYS   9          1HB       LYS  83 -12.812   1.424   1.424
  606   1HG   LYS   9          2HG       LYS  83 -12.085   3.109   3.109
  607   2HG   LYS   9          1HG       LYS  83 -12.735   2.198   2.198
  608   1HD   LYS   9          2HD       LYS  83 -15.009   2.380   2.380
  609   2HD   LYS   9          1HD       LYS  83 -14.234   3.676   3.676
  610   1HE   LYS   9          2HE       LYS  83 -13.569   4.643   4.643
  611   2HE   LYS   9          1HE       LYS  83 -14.817   3.558   3.558
  612   1HZ   LYS   9          1HZ       LYS  83 -16.112   4.536   4.536
  613   2HZ   LYS   9          3HZ       LYS  83 -15.098   5.862   5.862
  614   3HZ   LYS   9          2HZ       LYS  83 -16.139   5.300   5.300
  615    H    SER  10           H        SER  84 -12.278  -0.510  -0.510
  616    HA   SER  10           HA       SER  84 -11.639  -3.345  -3.345
  617   1HB   SER  10          2HB       SER  84 -11.384  -1.799  -1.799
  618   2HB   SER  10          1HB       SER  84 -13.066  -2.244  -2.244
  619    HG   SER  10           HG       SER  84 -11.035  -3.628  -3.628
  620    H    TYR  11           H        TYR  85 -13.224  -3.977  -3.977
  621    HA   TYR  11           HA       TYR  85 -16.083  -3.521  -3.521
  622   1HB   TYR  11          2HB       TYR  85 -14.617  -5.210  -5.210
  623   2HB   TYR  11          1HB       TYR  85 -16.302  -4.699  -4.699
  624    HD1  TYR  11           HD2      TYR  85 -12.777  -3.517  -3.517
  625    HD2  TYR  11           HD1      TYR  85 -16.908  -2.468  -2.468
  626    HE1  TYR  11           HE2      TYR  85 -12.093  -1.395  -1.395
  627    HE2  TYR  11           HE1      TYR  85 -16.218  -0.345  -0.345
  628    HH   TYR  11           HH       TYR  85 -14.394   0.679   0.679
  629    HA   PRO  12           HA       PRO  86 -16.474  -7.243  -7.243
  630   1HB   PRO  12          2HB       PRO  86 -19.210  -7.331  -7.331
  631   2HB   PRO  12          1HB       PRO  86 -18.263  -6.214  -6.214
  632   1HG   PRO  12          2HG       PRO  86 -19.710  -5.703  -5.703
  633   2HG   PRO  12          1HG       PRO  86 -19.550  -4.677  -4.677
  634   1HD   PRO  12          2HD       PRO  86 -18.101  -4.316  -4.316
  635   2HD   PRO  12          1HD       PRO  86 -17.534  -3.829  -3.829
  636    H    ASP  13           HN       ASP  87 -17.830  -6.726  -6.726
  637    HA   ASP  13           HA       ASP  87 -19.106  -9.091  -9.091
  638   1HB   ASP  13          2HB       ASP  87 -17.106  -7.348  -7.348
  639   2HB   ASP  13          1HB       ASP  87 -17.904  -8.696  -8.696

  Start of MODEL   10
    1   1H    ILE   1          1H        ILE   1   8.588  15.425  15.425
    2   2H    ILE   1          3H        ILE   1   9.151  14.097  14.097
    3   3H    ILE   1          2H        ILE   1   9.168  15.650  15.650
    4    HA   ILE   1           HA       ILE   1   6.795  15.726  15.726
    5    HB   ILE   1           HB       ILE   1   6.542  13.943  13.943
    6   1HG1  ILE   1          2HG1      ILE   1   8.979  12.643  12.643
    7   2HG1  ILE   1          1HG1      ILE   1   7.324  12.146  12.146
    8   1HG2  ILE   1          2HG2      ILE   1   8.444  15.780  15.780
    9   2HG2  ILE   1          1HG2      ILE   1   9.506  14.377  14.377
   10   3HG2  ILE   1          3HG2      ILE   1   8.332  14.485  14.485
   11   1HD1  ILE   1          2HD1      ILE   1   7.002  11.848  11.848
   12   2HD1  ILE   1          1HD1      ILE   1   8.746  12.057  12.057
   13   3HD1  ILE   1          3HD1      ILE   1   8.104  10.699  10.699
   14    H    VAL   2           H        VAL   2   5.012  13.667  13.667
   15    HA   VAL   2           HA       VAL   2   4.949  12.497  12.497
   16    HB   VAL   2           HB       VAL   2   2.587  13.517  13.517
   17   1HG1  VAL   2          3HG1      VAL   2   2.604  11.935  11.935
   18   2HG1  VAL   2          2HG1      VAL   2   2.692  13.506  13.506
   19   3HG1  VAL   2          1HG1      VAL   2   1.350  13.138  13.138
   20   1HG2  VAL   2          1HG2      VAL   2   4.424  14.972  14.972
   21   2HG2  VAL   2          3HG2      VAL   2   3.966  15.450  15.450
   22   3HG2  VAL   2          2HG2      VAL   2   2.782  15.525  15.525
   23    H    CYS   3           H        CYS   3   3.667  10.507  10.507
   24    HA   CYS   3           HA       CYS   3   3.139   9.180   9.180
   25   1HB   CYS   3          2HB       CYS   3   4.446   7.838   7.838
   26   2HB   CYS   3          1HB       CYS   3   4.420   7.325   7.325
   27    H    HIS   4           H        HIS   4   1.625   7.315   7.315
   28    HA   HIS   4           HA       HIS   4  -0.309   7.752   7.752
   29   1HB   HIS   4          2HB       HIS   4  -0.457   5.881   5.881
   30   2HB   HIS   4          1HB       HIS   4  -1.781   6.417   6.417
   31    HD1  HIS   4           HD1      HIS   4  -1.547   9.369   9.369
   32    HD2  HIS   4           HD2      HIS   4  -0.847   7.156   7.156
   33    HE1  HIS   4           HE1      HIS   4  -1.830  10.972  10.972
   34    H    THR   5           H        THR   5  -0.975   5.999   5.999
   35    HA   THR   5           HA       THR   5   0.942   3.698   3.698
   36    HB   THR   5           HB       THR   5   1.164   3.883   3.883
   37    HG1  THR   5           HG1      THR   5  -0.944   3.367   3.367
   38   1HG2  THR   5          2HG2      THR   5   1.673   6.166   6.166
   39   2HG2  THR   5          1HG2      THR   5   0.019   6.642   6.642
   40   3HG2  THR   5          3HG2      THR   5   1.125   6.175   6.175
   41    H    THR   6           H        THR   6  -0.238   2.282   2.282
   42    HA   THR   6           HA       THR   6  -3.116   1.888   1.888
   43    HB   THR   6           HB       THR   6  -2.164  -0.263  -0.263
   44    HG1  THR   6           HG1      THR   6  -0.021   0.659   0.659
   45   1HG2  THR   6          2HG2      THR   6  -3.009   2.502   2.502
   46   2HG2  THR   6          1HG2      THR   6  -2.228   1.591   1.591
   47   3HG2  THR   6          3HG2      THR   6  -3.684   0.956   0.956
   48    H    ALA   7           H        ALA   7  -0.315   0.924   0.924
   49    HA   ALA   7           HA       ALA   7  -1.419  -1.661  -1.661
   50   1HB   ALA   7          3HB       ALA   7   1.147  -0.218  -0.218
   51   2HB   ALA   7          2HB       ALA   7   0.893  -1.199  -1.199
   52   3HB   ALA   7          1HB       ALA   7   0.827  -1.953  -1.953
   53    H    THR   8           H        THR   8  -2.341   1.294   1.294
   54    HA   THR   8           HA       THR   8  -2.191   0.951   0.951
   55    HB   THR   8           HB       THR   8  -3.175   3.345   3.345
   56    HG1  THR   8           HG1      THR   8  -3.306   4.186   4.186
   57   1HG2  THR   8          2HG2      THR   8  -0.427   2.612   2.612
   58   2HG2  THR   8          1HG2      THR   8  -0.902   4.256   4.256
   59   3HG2  THR   8          3HG2      THR   8  -0.875   2.999   2.999
   60    H    SER   9           H        SER   9  -4.751   2.607   2.607
   61    HA   SER   9           HA       SER   9  -6.748   0.525   0.525
   62   1HB   SER   9          2HB       SER   9  -6.958   0.870   0.870
   63   2HB   SER   9          1HB       SER   9  -6.135   2.426   2.426
   64    HG   SER   9           HG       SER   9  -8.837   1.827   1.827
   65    HA   PRO  10           HA       PRO  10  -8.950   4.598   4.598
   66   1HB   PRO  10          2HB       PRO  10  -7.584   6.936   6.936
   67   2HB   PRO  10          1HB       PRO  10  -8.507   6.209   6.209
   68   1HG   PRO  10          2HG       PRO  10  -5.583   6.161   6.161
   69   2HG   PRO  10          1HG       PRO  10  -6.478   6.369   6.369
   70   1HD   PRO  10          2HD       PRO  10  -5.340   4.023   4.023
   71   2HD   PRO  10          1HD       PRO  10  -6.780   4.125   4.125
   72    H    ILE  11           H        ILE  11  -5.488   4.892   4.892
   73    HA   ILE  11           HA       ILE  11  -4.222   4.948   4.948
   74    HB   ILE  11           HB       ILE  11  -6.692   3.888   3.888
   75   1HG1  ILE  11          2HG1      ILE  11  -3.926   4.024   4.024
   76   2HG1  ILE  11          1HG1      ILE  11  -4.937   2.614   2.614
   77   1HG2  ILE  11          2HG2      ILE  11  -5.903   6.126   6.126
   78   2HG2  ILE  11          1HG2      ILE  11  -7.038   4.842   4.842
   79   3HG2  ILE  11          3HG2      ILE  11  -7.427   5.979   5.979
   80   1HD1  ILE  11          2HD1      ILE  11  -6.251   3.599   3.599
   81   2HD1  ILE  11          1HD1      ILE  11  -4.631   4.199   4.199
   82   3HD1  ILE  11          3HD1      ILE  11  -4.909   2.470   2.470
   83    H    SER  12           H        SER  12  -3.287   6.844   6.844
   84    HA   SER  12           HA       SER  12  -4.485   9.160   9.160
   85   1HB   SER  12          2HB       SER  12  -4.053  10.463  10.463
   86   2HB   SER  12          1HB       SER  12  -5.573   9.608   9.608
   87    HG   SER  12           HG       SER  12  -5.041   8.448   8.448
   88    H    ALA  13           H        ALA  13  -2.813  10.958  10.958
   89    HA   ALA  13           HA       ALA  13  -0.118   9.733   9.733
   90   1HB   ALA  13          1HB       ALA  13  -1.595  11.745  11.745
   91   2HB   ALA  13          3HB       ALA  13   0.007  12.321  12.321
   92   3HB   ALA  13          2HB       ALA  13  -0.159  10.836  10.836
   93    H    VAL  14           H        VAL  14   1.079  10.000  10.000
   94    HA   VAL  14           HA       VAL  14   0.956  12.665  12.665
   95    HB   VAL  14           HB       VAL  14   1.208  11.592  11.592
   96   1HG1  VAL  14          2HG1      VAL  14  -0.903  10.925  10.925
   97   2HG1  VAL  14          1HG1      VAL  14  -0.153   9.331   9.331
   98   3HG1  VAL  14          3HG1      VAL  14  -0.538  10.050  10.050
   99   1HG2  VAL  14          2HG2      VAL  14   3.222  10.310  10.310
  100   2HG2  VAL  14          1HG2      VAL  14   2.083   9.301   9.301
  101   3HG2  VAL  14          3HG2      VAL  14   2.208   9.142   9.142
  102    H    THR  15           H        THR  15   2.930  13.604  13.604
  103    HA   THR  15           HA       THR  15   5.110  13.131  13.131
  104    HB   THR  15           HB       THR  15   5.290  14.256  14.256
  105    HG1  THR  15           HG1      THR  15   4.472  16.171  16.171
  106   1HG2  THR  15          1HG2      THR  15   6.770  14.522  14.522
  107   2HG2  THR  15          3HG2      THR  15   6.675  15.941  15.941
  108   3HG2  THR  15          2HG2      THR  15   7.396  14.448  14.448
  109    H    CYS  16           H        CYS  16   7.296  12.282  12.282
  110    HA   CYS  16           HA       CYS  16   7.173  10.207  10.207
  111   1HB   CYS  16          2HB       CYS  16   7.495   9.981   9.981
  112   2HB   CYS  16          1HB       CYS  16   8.840   9.231   9.231
  113    HA   PRO  17           HA       PRO  17  11.149  11.461  11.461
  114   1HB   PRO  17          2HB       PRO  17  12.666   9.178   9.178
  115   2HB   PRO  17          1HB       PRO  17  11.372   9.507   9.507
  116   1HG   PRO  17          2HG       PRO  17  11.324   7.801   7.801
  117   2HG   PRO  17          1HG       PRO  17  10.616   7.504   7.504
  118   1HD   PRO  17          2HD       PRO  17   9.151   8.344   8.344
  119   2HD   PRO  17          1HD       PRO  17   8.757   8.783   8.783
  120    HA   PRO  18           HA       PRO  18  13.995  12.206  12.206
  121   1HB   PRO  18          2HB       PRO  18  16.446  12.005  12.005
  122   2HB   PRO  18          1HB       PRO  18  15.331  13.354  13.354
  123   1HG   PRO  18          2HG       PRO  18  15.865  10.942  10.942
  124   2HG   PRO  18          1HG       PRO  18  15.577  12.616  12.616
  125   1HD   PRO  18          2HD       PRO  18  13.677  10.666  10.666
  126   2HD   PRO  18          1HD       PRO  18  13.300  12.390  12.390
  127    H    GLY  19           H        GLY  19  14.681   9.271   9.271
  128   1HA   GLY  19          2HA       GLY  19  16.574   7.960   7.960
  129   2HA   GLY  19          1HA       GLY  19  15.202   7.114   7.114
  130    H    GLU  20           H        GLU  20  13.042   7.780   7.780
  131    HA   GLU  20           HA       GLU  20  13.344   6.589   6.589
  132   1HB   GLU  20          2HB       GLU  20  11.209   6.301   6.301
  133   2HB   GLU  20          1HB       GLU  20  11.247   7.825   7.825
  134   1HG   GLU  20          2HG       GLU  20  11.231   7.916   7.916
  135   2HG   GLU  20          1HG       GLU  20   9.715   7.559   7.559
  136    H    ASN  21           H        ASN  21  13.703   7.629   7.629
  137    HA   ASN  21           HA       ASN  21  14.101  10.568  10.568
  138   1HB   ASN  21          2HB       ASN  21  14.694   8.620   8.620
  139   2HB   ASN  21          1HB       ASN  21  15.473  10.160  10.160
  140   1HD2  ASN  21          2HD2      ASN  21  16.813   8.238   8.238
  141   2HD2  ASN  21          1HD2      ASN  21  15.468   9.266   9.266
  142    H    LEU  22           H        LEU  22  11.961   8.082   8.082
  143    HA   LEU  22           HA       LEU  22  10.109  10.048  10.048
  144   1HB   LEU  22          2HB       LEU  22   9.944   8.684   8.684
  145   2HB   LEU  22          1HB       LEU  22  11.554   9.370   9.370
  146    HG   LEU  22           HG       LEU  22  11.544   6.880   6.880
  147   1HD1  LEU  22          2HD1      LEU  22   9.574   6.812   6.812
  148   2HD1  LEU  22          1HD1      LEU  22  10.985   6.110   6.110
  149   3HD1  LEU  22          3HD1      LEU  22  10.371   5.406   5.406
  150   1HD2  LEU  22          2HD2      LEU  22  12.982   8.311   8.311
  151   2HD2  LEU  22          1HD2      LEU  22  13.580   7.081   7.081
  152   3HD2  LEU  22          3HD2      LEU  22  12.852   6.602   6.602
  153    H    CYS  23           H        CYS  23   8.208   8.436   8.436
  154    HA   CYS  23           HA       CYS  23   7.416   6.761   6.761
  155   1HB   CYS  23          2HB       CYS  23   5.852   7.672   7.672
  156   2HB   CYS  23          1HB       CYS  23   5.195   7.095   7.095
  157    H    TYR  24           H        TYR  24   5.920   4.795   4.795
  158    HA   TYR  24           HA       TYR  24   7.057   3.702   3.702
  159   1HB   TYR  24          2HB       TYR  24   8.187   1.871   1.871
  160   2HB   TYR  24          1HB       TYR  24   8.685   3.296   3.296
  161    HD1  TYR  24           HD1      TYR  24   7.798   3.728   3.728
  162    HD2  TYR  24           HD2      TYR  24   6.723   0.210   0.210
  163    HE1  TYR  24           HE1      TYR  24   6.935   2.701   2.701
  164    HE2  TYR  24           HE2      TYR  24   5.856  -0.824  -0.824
  165    HH   TYR  24           HH       TYR  24   6.489   0.468   0.468
  166    H    ARG  25           H        ARG  25   6.258   1.349   1.349
  167    HA   ARG  25           HA       ARG  25   3.489   1.138   1.138
  168   1HB   ARG  25          2HB       ARG  25   4.282   0.488   0.488
  169   2HB   ARG  25          1HB       ARG  25   2.657   0.719   0.719
  170   1HG   ARG  25          2HG       ARG  25   3.079   3.087   3.087
  171   2HG   ARG  25          1HG       ARG  25   4.772   2.890   2.890
  172   1HD   ARG  25          2HD       ARG  25   3.610   3.781   3.781
  173   2HD   ARG  25          1HD       ARG  25   3.958   2.074   2.074
  174    HE   ARG  25           HE       ARG  25   1.551   1.777   1.777
  175   1HH1  ARG  25          1HH2      ARG  25   1.943   4.921   4.921
  176   2HH1  ARG  25          2HH2      ARG  25   0.723   4.953   4.953
  177   1HH2  ARG  25          2HH1      ARG  25   0.287   1.513   1.513
  178   2HH2  ARG  25          1HH1      ARG  25  -0.213   3.023   3.023
  179    H    LYS  26           H        LYS  26   3.598  -0.800  -0.800
  180    HA   LYS  26           HA       LYS  26   5.230  -3.026  -3.026
  181   1HB   LYS  26          2HB       LYS  26   4.560  -2.041  -2.041
  182   2HB   LYS  26          1HB       LYS  26   4.107  -3.731  -3.731
  183   1HG   LYS  26          2HG       LYS  26   6.295  -4.409  -4.409
  184   2HG   LYS  26          1HG       LYS  26   6.798  -2.779  -2.779
  185   1HD   LYS  26          2HD       LYS  26   5.860  -2.723  -2.723
  186   2HD   LYS  26          1HD       LYS  26   7.019  -4.042  -4.042
  187   1HE   LYS  26          2HE       LYS  26   7.976  -1.717  -1.717
  188   2HE   LYS  26          1HE       LYS  26   7.631  -1.302  -1.302
  189   1HZ   LYS  26          3HZ       LYS  26   8.906  -3.878  -3.878
  190   2HZ   LYS  26          2HZ       LYS  26   9.872  -2.491  -2.491
  191   3HZ   LYS  26          1HZ       LYS  26   9.111  -2.819  -2.819
  192    H    MET  27           H        MET  27   4.221  -5.174  -5.174
  193    HA   MET  27           HA       MET  27   1.307  -5.300  -5.300
  194   1HB   MET  27          2HB       MET  27   2.659  -4.733  -4.733
  195   2HB   MET  27          1HB       MET  27   2.000  -6.366  -6.366
  196   1HG   MET  27          2HG       MET  27  -0.087  -5.561  -5.561
  197   2HG   MET  27          1HG       MET  27   0.070  -4.613  -4.613
  198   1HE   MET  27          2HE       MET  27   0.926  -5.191  -5.191
  199   2HE   MET  27          1HE       MET  27   0.148  -3.834  -3.834
  200   3HE   MET  27          3HE       MET  27   1.891  -3.808  -3.808
  201    H    TRP  28           H        TRP  28   0.801  -7.187  -7.187
  202    HA   TRP  28           HA       TRP  28   2.395  -9.556  -9.556
  203   1HB   TRP  28          2HB       TRP  28   2.795  -9.855  -9.855
  204   2HB   TRP  28          1HB       TRP  28   3.740  -8.612  -8.612
  205    HD1  TRP  28           HD1      TRP  28   0.071  -8.378  -8.378
  206    HE1  TRP  28           HE1      TRP  28  -0.017  -6.399  -6.399
  207    HE3  TRP  28           HE3      TRP  28   4.946  -7.131  -7.131
  208    HZ2  TRP  28           HZ2      TRP  28   1.786  -4.540  -4.540
  209    HZ3  TRP  28           HZ3      TRP  28   5.791  -5.250  -5.250
  210    HH2  TRP  28           HH2      TRP  28   4.207  -3.953  -3.953
  211    H    CYS  29           H        CYS  29   1.683 -11.303 -11.303
  212    HA   CYS  29           HA       CYS  29  -1.296 -11.438 -11.438
  213   1HB   CYS  29          2HB       CYS  29   0.560 -13.153 -13.153
  214   2HB   CYS  29          1HB       CYS  29   0.472 -13.699 -13.699
  215    H    ASP  30           H        ASP  30  -2.413 -10.937 -10.937
  216    HA   ASP  30           HA       ASP  30  -1.045 -11.128 -11.128
  217   1HB   ASP  30          2HB       ASP  30  -2.033  -9.012  -9.012
  218   2HB   ASP  30          1HB       ASP  30  -3.492  -9.741  -9.741
  219    H    ALA  31           H        ALA  31  -4.527 -11.331 -11.331
  220    HA   ALA  31           HA       ALA  31  -4.421 -14.121 -14.121
  221   1HB   ALA  31          1HB       ALA  31  -6.054 -11.670 -11.670
  222   2HB   ALA  31          3HB       ALA  31  -6.737 -13.261 -13.261
  223   3HB   ALA  31          2HB       ALA  31  -5.239 -12.761 -12.761
  224    H    PHE  32           H        PHE  32  -6.673 -11.912 -11.912
  225    HA   PHE  32           HA       PHE  32  -7.864 -14.281 -14.281
  226   1HB   PHE  32          2HB       PHE  32  -8.717 -11.664 -11.664
  227   2HB   PHE  32          1HB       PHE  32  -9.206 -11.924 -11.924
  228    HD1  PHE  32           HD2      PHE  32 -10.426 -14.090 -14.090
  229    HD2  PHE  32           HD1      PHE  32  -9.838 -12.758 -12.758
  230    HE1  PHE  32           HE2      PHE  32 -12.240 -15.598 -15.598
  231    HE2  PHE  32           HE1      PHE  32 -11.653 -14.267 -14.267
  232    HZ   PHE  32           HZ       PHE  32 -12.854 -15.687 -15.687
  233    H    CYS  33           H        CYS  33  -5.248 -12.585 -12.585
  234    HA   CYS  33           HA       CYS  33  -5.523 -11.340 -11.340
  235   1HB   CYS  33          2HB       CYS  33  -3.020 -11.753 -11.753
  236   2HB   CYS  33          1HB       CYS  33  -3.620 -10.975 -10.975
  237    H    SER  34           H        SER  34  -5.129 -14.707 -14.707
  238    HA   SER  34           HA       SER  34  -4.306 -15.724 -15.724
  239   1HB   SER  34          2HB       SER  34  -4.399 -17.749 -17.749
  240   2HB   SER  34          1HB       SER  34  -4.389 -16.666 -16.666
  241    HG   SER  34           HG       SER  34  -6.165 -18.429 -18.429
  242    H    SER  35           H        SER  35  -7.210 -14.291 -14.291
  243    HA   SER  35           HA       SER  35  -8.864 -16.036 -16.036
  244   1HB   SER  35          2HB       SER  35  -9.937 -13.684 -13.684
  245   2HB   SER  35          1HB       SER  35 -10.644 -15.281 -15.281
  246    HG   SER  35           HG       SER  35  -9.269 -16.089 -16.089
  247    H    ARG  36           H        ARG  36  -7.722 -12.686 -12.686
  248    HA   ARG  36           HA       ARG  36  -8.779 -12.107 -12.107
  249   1HB   ARG  36          2HB       ARG  36  -8.333 -10.338 -10.338
  250   2HB   ARG  36          1HB       ARG  36  -8.857  -9.745  -9.745
  251   1HG   ARG  36          2HG       ARG  36 -10.371 -11.972 -11.972
  252   2HG   ARG  36          1HG       ARG  36 -10.662 -10.301 -10.301
  253   1HD   ARG  36          2HD       ARG  36 -11.406  -9.682  -9.682
  254   2HD   ARG  36          1HD       ARG  36 -10.732 -11.152 -11.152
  255    HE   ARG  36           HE       ARG  36 -12.480 -12.450 -12.450
  256   1HH1  ARG  36          2HH1      ARG  36 -13.200  -9.310  -9.310
  257   2HH1  ARG  36          1HH1      ARG  36 -14.639  -9.173  -9.173
  258   1HH2  ARG  36          1HH2      ARG  36 -14.126 -12.162 -12.162
  259   2HH2  ARG  36          2HH2      ARG  36 -15.165 -10.789 -10.789
  260    H    GLY  37           H        GLY  37  -6.113 -11.543 -11.543
  261   1HA   GLY  37          2HA       GLY  37  -3.959 -11.879 -11.879
  262   2HA   GLY  37          1HA       GLY  37  -4.449 -10.212 -10.212
  263    H    LYS  38           H        LYS  38  -2.371  -9.538  -9.538
  264    HA   LYS  38           HA       LYS  38  -2.072 -10.042 -10.042
  265   1HB   LYS  38          2HB       LYS  38  -0.455  -8.803  -8.803
  266   2HB   LYS  38          1HB       LYS  38   0.015  -8.556  -8.556
  267   1HG   LYS  38          2HG       LYS  38   1.128 -10.515 -10.515
  268   2HG   LYS  38          1HG       LYS  38  -0.461 -11.271 -11.271
  269   1HD   LYS  38          2HD       LYS  38  -0.142 -12.104 -12.104
  270   2HD   LYS  38          1HD       LYS  38  -0.263 -10.454 -10.454
  271   1HE   LYS  38          2HE       LYS  38   1.849 -11.437 -11.437
  272   2HE   LYS  38          1HE       LYS  38   2.210 -10.185 -10.185
  273   1HZ   LYS  38          1HZ       LYS  38   1.798 -12.258 -12.258
  274   2HZ   LYS  38          3HZ       LYS  38   2.387 -13.087 -13.087
  275   3HZ   LYS  38          2HZ       LYS  38   3.333 -11.881 -11.881
  276    H    VAL  39           H        VAL  39  -1.916  -8.087  -8.087
  277    HA   VAL  39           HA       VAL  39  -4.026  -6.198  -6.198
  278    HB   VAL  39           HB       VAL  39  -1.706  -5.754  -5.754
  279   1HG1  VAL  39          2HG1      VAL  39  -4.290  -4.675  -4.675
  280   2HG1  VAL  39          1HG1      VAL  39  -4.361  -5.680  -5.680
  281   3HG1  VAL  39          3HG1      VAL  39  -3.167  -4.389  -4.389
  282   1HG2  VAL  39          3HG2      VAL  39  -3.474  -8.129  -8.129
  283   2HG2  VAL  39          2HG2      VAL  39  -1.892  -7.929  -7.929
  284   3HG2  VAL  39          1HG2      VAL  39  -3.342  -7.351  -7.351
  285    H    VAL  40           H        VAL  40  -2.299  -3.945  -3.945
  286    HA   VAL  40           HA       VAL  40  -0.412  -3.249  -3.249
  287    HB   VAL  40           HB       VAL  40  -3.223  -2.119  -2.119
  288   1HG1  VAL  40          2HG1      VAL  40  -0.774  -0.670  -0.670
  289   2HG1  VAL  40          1HG1      VAL  40  -1.616  -0.724  -0.724
  290   3HG1  VAL  40          3HG1      VAL  40  -2.425  -0.067  -0.067
  291   1HG2  VAL  40          3HG2      VAL  40  -1.513  -3.580  -3.580
  292   2HG2  VAL  40          2HG2      VAL  40  -3.256  -3.675  -3.675
  293   3HG2  VAL  40          1HG2      VAL  40  -2.568  -2.321  -2.321
  294    H    GLU  41           H        GLU  41   0.859  -2.949  -2.949
  295    HA   GLU  41           HA       GLU  41  -0.131  -0.934  -0.934
  296   1HB   GLU  41          2HB       GLU  41   2.102  -2.947  -2.947
  297   2HB   GLU  41          1HB       GLU  41   1.334  -2.058  -2.058
  298   1HG   GLU  41          2HG       GLU  41  -0.738  -3.315  -3.315
  299   2HG   GLU  41          1HG       GLU  41   0.498  -4.530  -4.530
  300    H    LEU  42           H        LEU  42   0.525   0.860   0.860
  301    HA   LEU  42           HA       LEU  42   3.329   1.301   1.301
  302   1HB   LEU  42          2HB       LEU  42   1.186   3.414   3.414
  303   2HB   LEU  42          1HB       LEU  42   2.489   3.295   3.295
  304    HG   LEU  42           HG       LEU  42   1.087   0.967   0.967
  305   1HD1  LEU  42          1HD1      LEU  42  -0.629   2.787   2.787
  306   2HD1  LEU  42          3HD1      LEU  42  -1.188   2.659   2.659
  307   3HD1  LEU  42          2HD1      LEU  42  -1.031   1.208   1.208
  308   1HD2  LEU  42          3HD2      LEU  42   1.573   3.543   3.543
  309   2HD2  LEU  42          2HD2      LEU  42   1.469   1.946   1.946
  310   3HD2  LEU  42          1HD2      LEU  42   0.005   2.887   2.887
  311    H    GLY  43           H        GLY  43   4.169   3.627   3.627
  312   1HA   GLY  43          2HA       GLY  43   3.478   4.819   4.819
  313   2HA   GLY  43          1HA       GLY  43   4.403   3.413   3.413
  314    H    CYS  44           H        CYS  44   6.363   4.319   4.319
  315    HA   CYS  44           HA       CYS  44   7.708   6.210   6.210
  316   1HB   CYS  44          2HB       CYS  44   8.224   5.784   5.784
  317   2HB   CYS  44          1HB       CYS  44   8.694   7.153   7.153
  318    H    ALA  45           H        ALA  45  10.063   5.958   5.958
  319    HA   ALA  45           HA       ALA  45  11.458   3.727   3.727
  320   1HB   ALA  45          2HB       ALA  45   9.774   3.227   3.227
  321   2HB   ALA  45          1HB       ALA  45  11.426   3.183   3.183
  322   3HB   ALA  45          3HB       ALA  45  10.951   2.120   2.120
  323    H    ALA  46           H        ALA  46  13.698   3.955   3.955
  324    HA   ALA  46           HA       ALA  46  14.744   6.458   6.458
  325   1HB   ALA  46          2HB       ALA  46  15.813   3.641   3.641
  326   2HB   ALA  46          1HB       ALA  46  16.862   4.976   4.976
  327   3HB   ALA  46          3HB       ALA  46  16.119   4.964   4.964
  328    H    THR  47           H        THR  47  14.269   3.583   3.583
  329    HA   THR  47           HA       THR  47  13.995   5.193   5.193
  330    HB   THR  47           HB       THR  47  16.447   5.307   5.307
  331    HG1  THR  47           HG1      THR  47  15.366   4.945   4.945
  332   1HG2  THR  47          1HG2      THR  47  16.138   2.306   2.306
  333   2HG2  THR  47          3HG2      THR  47  17.687   3.087   3.087
  334   3HG2  THR  47          2HG2      THR  47  16.897   3.296   3.296
  335    H    CYS  48           H        CYS  48  13.650   3.741   3.741
  336    HA   CYS  48           HA       CYS  48  11.877   1.662   1.662
  337   1HB   CYS  48          2HB       CYS  48  14.116   1.797   1.797
  338   2HB   CYS  48          1HB       CYS  48  12.586   0.944   0.944
  339    HA   PRO  49           HA       PRO  49  14.771  -1.119  -1.119
  340   1HB   PRO  49          2HB       PRO  49  12.838  -2.495  -2.495
  341   2HB   PRO  49          1HB       PRO  49  13.497  -0.944  -0.944
  342   1HG   PRO  49          2HG       PRO  49  10.917  -1.534  -1.534
  343   2HG   PRO  49          1HG       PRO  49  11.312  -0.308  -0.308
  344   1HD   PRO  49          2HD       PRO  49  11.014   0.171   0.171
  345   2HD   PRO  49          1HD       PRO  49  11.875   1.228   1.228
  346    H    SER  50           H        SER  50  12.101  -1.677  -1.677
  347    HA   SER  50           HA       SER  50  11.726  -3.413  -3.413
  348   1HB   SER  50          2HB       SER  50  14.412  -3.068  -3.068
  349   2HB   SER  50          1HB       SER  50  14.275  -4.747  -4.747
  350    HG   SER  50           HG       SER  50  13.111  -5.139  -5.139
  351    H    LYS  51           H        LYS  51  12.994  -6.129  -6.129
  352    HA   LYS  51           HA       LYS  51  11.406  -6.981  -6.981
  353   1HB   LYS  51          2HB       LYS  51  10.788  -8.976  -8.976
  354   2HB   LYS  51          1HB       LYS  51  10.010  -7.432  -7.432
  355   1HG   LYS  51          2HG       LYS  51  11.791  -6.972  -6.972
  356   2HG   LYS  51          1HG       LYS  51  12.436  -8.588  -8.588
  357   1HD   LYS  51          2HD       LYS  51  10.756  -9.606  -9.606
  358   2HD   LYS  51          1HD       LYS  51   9.533  -8.490  -8.490
  359   1HE   LYS  51          2HE       LYS  51   9.747  -8.081  -8.081
  360   2HE   LYS  51          1HE       LYS  51  10.552  -6.730  -6.730
  361   1HZ   LYS  51          3HZ       LYS  51  11.904  -9.208  -9.208
  362   2HZ   LYS  51          2HZ       LYS  51  11.961  -7.711  -7.711
  363   3HZ   LYS  51          1HZ       LYS  51  12.652  -7.878  -7.878
  364    H    LYS  52           H        LYS  52  12.710  -8.172  -8.172
  365    HA   LYS  52           HA       LYS  52  15.242  -9.283  -9.283
  366   1HB   LYS  52          2HB       LYS  52  14.298  -8.098  -8.098
  367   2HB   LYS  52          1HB       LYS  52  15.042  -9.663  -9.663
  368   1HG   LYS  52          2HG       LYS  52  17.065  -9.007  -9.007
  369   2HG   LYS  52          1HG       LYS  52  16.324  -7.482  -7.482
  370   1HD   LYS  52          2HD       LYS  52  15.973  -7.457  -7.457
  371   2HD   LYS  52          1HD       LYS  52  17.550  -8.229  -8.229
  372   1HE   LYS  52          2HE       LYS  52  18.471  -6.198  -6.198
  373   2HE   LYS  52          1HE       LYS  52  17.457  -6.033  -6.033
  374   1HZ   LYS  52          1HZ       LYS  52  16.502  -5.514  -5.514
  375   2HZ   LYS  52          3HZ       LYS  52  17.035  -4.298  -4.298
  376   3HZ   LYS  52          2HZ       LYS  52  15.661  -5.217  -5.217
  377    HA   PRO  53           HA       PRO  53  13.480 -13.192 -13.192
  378   1HB   PRO  53          2HB       PRO  53  11.134 -13.102 -13.102
  379   2HB   PRO  53          1HB       PRO  53  12.709 -12.762 -12.762
  380   1HG   PRO  53          2HG       PRO  53  10.580 -10.889 -10.889
  381   2HG   PRO  53          1HG       PRO  53  11.716 -10.773 -10.773
  382   1HD   PRO  53          2HD       PRO  53  11.947  -9.421  -9.421
  383   2HD   PRO  53          1HD       PRO  53  13.271  -9.715  -9.715
  384    H    TYR  54           H        TYR  54  10.130 -12.195 -12.195
  385    HA   TYR  54           HA       TYR  54   9.761 -13.098 -13.098
  386   1HB   TYR  54          2HB       TYR  54   7.646 -14.286 -14.286
  387   2HB   TYR  54          1HB       TYR  54   9.190 -15.103 -15.103
  388    HD1  TYR  54           HD1      TYR  54   7.917 -12.506 -12.506
  389    HD2  TYR  54           HD2      TYR  54   9.825 -16.319 -16.319
  390    HE1  TYR  54           HE1      TYR  54   8.206 -12.691 -12.691
  391    HE2  TYR  54           HE2      TYR  54  10.108 -16.508 -16.508
  392    HH   TYR  54           HH       TYR  54  10.219 -14.425 -14.425
  393    H    GLU  55           H        GLU  55   9.233 -10.714 -10.714
  394    HA   GLU  55           HA       GLU  55   6.440 -10.088 -10.088
  395   1HB   GLU  55          2HB       GLU  55   8.587  -8.867  -8.867
  396   2HB   GLU  55          1HB       GLU  55   7.039  -8.065  -8.065
  397   1HG   GLU  55          2HG       GLU  55   5.863  -9.621  -9.621
  398   2HG   GLU  55          1HG       GLU  55   6.947 -10.940 -10.940
  399    H    GLU  56           H        GLU  56   5.958  -7.886  -7.886
  400    HA   GLU  56           HA       GLU  56   8.094  -7.030  -7.030
  401   1HB   GLU  56          2HB       GLU  56   5.232  -7.703  -7.703
  402   2HB   GLU  56          1HB       GLU  56   5.679  -6.213  -6.213
  403   1HG   GLU  56          2HG       GLU  56   6.134  -7.760  -7.760
  404   2HG   GLU  56          1HG       GLU  56   7.703  -7.693  -7.693
  405    H    VAL  57           H        VAL  57   8.367  -4.765  -4.765
  406    HA   VAL  57           HA       VAL  57   6.706  -2.958  -2.958
  407    HB   VAL  57           HB       VAL  57   9.740  -2.992  -2.992
  408   1HG1  VAL  57          1HG1      VAL  57   7.608  -1.400  -1.400
  409   2HG1  VAL  57          3HG1      VAL  57   9.081  -1.754  -1.754
  410   3HG1  VAL  57          2HG1      VAL  57   9.173  -0.876  -0.876
  411   1HG2  VAL  57          1HG2      VAL  57   7.741  -4.272  -4.272
  412   2HG2  VAL  57          3HG2      VAL  57   9.091  -5.042  -5.042
  413   3HG2  VAL  57          2HG2      VAL  57   9.398  -3.914  -3.914
  414    H    THR  58           H        THR  58   7.052  -0.645  -0.645
  415    HA   THR  58           HA       THR  58   8.302  -0.239  -0.239
  416    HB   THR  58           HB       THR  58   5.696   1.082   1.082
  417    HG1  THR  58           HG1      THR  58   4.827  -1.164  -1.164
  418   1HG2  THR  58          1HG2      THR  58   7.378   0.150   0.150
  419   2HG2  THR  58          3HG2      THR  58   5.804  -0.629  -0.629
  420   3HG2  THR  58          2HG2      THR  58   5.917   1.130   1.130
  421    H    CYS  59           H        CYS  59   7.397   2.439   2.439
  422    HA   CYS  59           HA       CYS  59   8.334   3.771   3.771
  423   1HB   CYS  59          2HB       CYS  59   9.486   3.791   3.791
  424   2HB   CYS  59          1HB       CYS  59   9.438   5.332   5.332
  425    H    CYS  60           H        CYS  60   8.111   6.216   6.216
  426    HA   CYS  60           HA       CYS  60   6.211   7.235   7.235
  427   1HB   CYS  60          2HB       CYS  60   4.355   6.379   6.379
  428   2HB   CYS  60          1HB       CYS  60   5.255   5.934   5.934
  429    H    SER  61           H        SER  61   6.997   9.294   9.294
  430    HA   SER  61           HA       SER  61   8.026  10.650  10.650
  431   1HB   SER  61          2HB       SER  61   9.818  11.356  11.356
  432   2HB   SER  61          1HB       SER  61   9.423   9.894   9.894
  433    HG   SER  61           HG       SER  61   8.412  11.096  11.096
  434    H    THR  62           H        THR  62   5.672  10.853  10.853
  435    HA   THR  62           HA       THR  62   5.467  13.755  13.755
  436    HB   THR  62           HB       THR  62   3.133  12.040  12.040
  437    HG1  THR  62           HG1      THR  62   5.466  11.882  11.882
  438   1HG2  THR  62          3HG2      THR  62   4.672  14.326  14.326
  439   2HG2  THR  62          2HG2      THR  62   3.722  13.319  13.319
  440   3HG2  THR  62          1HG2      THR  62   2.934  14.154  14.154
  441    H    ASP  63           H        ASP  63   3.295  14.805  14.805
  442    HA   ASP  63           HA       ASP  63   2.923  14.638  14.638
  443   1HB   ASP  63          2HB       ASP  63   1.822  15.998  15.998
  444   2HB   ASP  63          1HB       ASP  63   0.548  15.610  15.610
  445    H    LYS  64           H        LYS  64   1.955  13.015  13.015
  446    HA   LYS  64           HA       LYS  64   0.680  11.056  11.056
  447   1HB   LYS  64          2HB       LYS  64  -1.234  12.749  12.749
  448   2HB   LYS  64          1HB       LYS  64  -1.696  11.476  11.476
  449   1HG   LYS  64          2HG       LYS  64  -0.388  12.803  12.803
  450   2HG   LYS  64          1HG       LYS  64  -0.406  14.136  14.136
  451   1HD   LYS  64          2HD       LYS  64  -2.831  14.136  14.136
  452   2HD   LYS  64          1HD       LYS  64  -2.891  12.688  12.688
  453   1HE   LYS  64          2HE       LYS  64  -2.415  13.850  13.850
  454   2HE   LYS  64          1HE       LYS  64  -1.379  15.022  15.022
  455   1HZ   LYS  64          1HZ       LYS  64  -3.519  15.725  15.725
  456   2HZ   LYS  64          3HZ       LYS  64  -4.334  14.900  14.900
  457   3HZ   LYS  64          2HZ       LYS  64  -3.321  16.211  16.211
  458    H    CYS  65           H        CYS  65   2.373  10.413  10.413
  459    HA   CYS  65           HA       CYS  65   0.778   9.424   9.424
  460   1HB   CYS  65          2HB       CYS  65   3.129   8.612   8.612
  461   2HB   CYS  65          1HB       CYS  65   2.816  10.341  10.341
  462    H    ASN  66           H        ASN  66   0.832   8.360   8.360
  463    HA   ASN  66           HA       ASN  66   1.628   5.555   5.555
  464   1HB   ASN  66          2HB       ASN  66   1.622   7.414   7.414
  465   2HB   ASN  66          1HB       ASN  66   0.686   5.993   5.993
  466   1HD2  ASN  66          2HD2      ASN  66   4.399   4.925   4.925
  467   2HD2  ASN  66          1HD2      ASN  66   3.375   5.818   5.818
  468    HA   PRO  67           HA       PRO  67  -3.075   5.459   5.459
  469   1HB   PRO  67          2HB       PRO  67  -4.451   6.738   6.738
  470   2HB   PRO  67          1HB       PRO  67  -3.966   7.538   7.538
  471   1HG   PRO  67          2HG       PRO  67  -2.840   7.787   7.787
  472   2HG   PRO  67          1HG       PRO  67  -2.862   8.951   8.951
  473   1HD   PRO  67          2HD       PRO  67  -0.690   7.360   7.360
  474   2HD   PRO  67          1HD       PRO  67  -0.818   8.309   8.309
  475    H    HIS  68           H        HIS  68  -2.310   3.322   3.322
  476    HA   HIS  68           HA       HIS  68  -1.918   2.371   2.371
  477   1HB   HIS  68          2HB       HIS  68  -2.796   0.241   0.241
  478   2HB   HIS  68          1HB       HIS  68  -1.823   1.080   1.080
  479    HD1  HIS  68           HD1      HIS  68  -4.897  -0.671  -0.671
  480    HD2  HIS  68           HD2      HIS  68  -3.699   2.840   2.840
  481    HE1  HIS  68           HE1      HIS  68  -6.613  -0.226  -0.226
  482    HA   PRO  69           HA       PRO  69  -5.742   3.036   3.036
  483   1HB   PRO  69          2HB       PRO  69  -5.332   1.403   1.403
  484   2HB   PRO  69          1HB       PRO  69  -4.473   2.938   2.938
  485   1HG   PRO  69          2HG       PRO  69  -3.487   0.191   0.191
  486   2HG   PRO  69          1HG       PRO  69  -2.594   1.690   1.690
  487   1HD   PRO  69          2HD       PRO  69  -2.895   0.265   0.265
  488   2HD   PRO  69          1HD       PRO  69  -2.042   1.797   1.797
  489    H    LYS  70           H        LYS  70  -7.057   1.899   1.899
  490    HA   LYS  70           HA       LYS  70  -8.185  -0.597  -0.597
  491   1HB   LYS  70          2HB       LYS  70  -6.275  -0.490  -0.490
  492   2HB   LYS  70          1HB       LYS  70  -7.814  -0.950  -0.950
  493   1HG   LYS  70          2HG       LYS  70  -6.401  -2.295  -2.295
  494   2HG   LYS  70          1HG       LYS  70  -6.761  -2.980  -2.980
  495   1HD   LYS  70          2HD       LYS  70  -8.634  -3.803  -3.803
  496   2HD   LYS  70          1HD       LYS  70  -9.250  -2.160  -2.160
  497   1HE   LYS  70          2HE       LYS  70  -7.592  -2.315  -2.315
  498   2HE   LYS  70          1HE       LYS  70  -8.687  -3.710  -3.710
  499   1HZ   LYS  70          3HZ       LYS  70  -9.898  -1.234  -1.234
  500   2HZ   LYS  70          2HZ       LYS  70  -9.408  -1.221  -1.221
  501   3HZ   LYS  70          1HZ       LYS  70 -10.493  -2.404  -2.404
  502    H    GLN  71           H        GLN  71  -9.277   2.115   2.115
  503    HA   GLN  71           HA       GLN  71 -11.136   1.910   1.910
  504   1HB   GLN  71          2HB       GLN  71 -10.013   3.883   3.883
  505   2HB   GLN  71          1HB       GLN  71 -11.767   3.994   3.994
  506   1HG   GLN  71          2HG       GLN  71 -11.846   4.929   4.929
  507   2HG   GLN  71          1HG       GLN  71 -10.949   3.570   3.570
  508   1HE2  GLN  71          2HE2      GLN  71  -8.477   6.036   6.036
  509   2HE2  GLN  71          1HE2      GLN  71  -9.730   5.128   5.128
  510    H    ARG  72           H        ARG  72 -11.605  -0.305  -0.305
  511    HA   ARG  72           HA       ARG  72 -14.280   0.274   0.274
  512   1HB   ARG  72          2HB       ARG  72 -11.814  -0.502  -0.502
  513   2HB   ARG  72          1HB       ARG  72 -13.260  -1.411  -1.411
  514   1HG   ARG  72          2HG       ARG  72 -14.274   0.403   0.403
  515   2HG   ARG  72          1HG       ARG  72 -13.625   1.519   1.519
  516   1HD   ARG  72          2HD       ARG  72 -11.321   0.858   0.858
  517   2HD   ARG  72          1HD       ARG  72 -12.455   0.662   0.662
  518    HE   ARG  72           HE       ARG  72 -13.112   3.068   3.068
  519   1HH1  ARG  72          2HH1      ARG  72 -10.191   1.901   1.901
  520   2HH1  ARG  72          1HH1      ARG  72  -9.887   3.301   3.301
  521   1HH2  ARG  72          1HH2      ARG  72 -12.930   4.795   4.795
  522   2HH2  ARG  72          2HH2      ARG  72 -11.437   4.940   4.940
  523    HA   PRO  73           HA       PRO  73 -14.788  -3.521  -3.521
  524   1HB   PRO  73          2HB       PRO  73 -17.480  -3.768  -3.768
  525   2HB   PRO  73          1HB       PRO  73 -16.793  -2.643  -2.643
  526   1HG   PRO  73          2HG       PRO  73 -17.811  -2.107  -2.107
  527   2HG   PRO  73          1HG       PRO  73 -17.967  -1.135  -1.135
  528   1HD   PRO  73          2HD       PRO  73 -16.172  -0.592  -0.592
  529   2HD   PRO  73          1HD       PRO  73 -15.925  -0.143  -0.143
  530    H    GLY  74           HN       GLY  74 -13.686  -4.993  -4.993
  531   1HA   GLY  74          2HA       GLY  74 -13.573  -6.798  -6.798
  532   2HA   GLY  74          1HA       GLY  74 -15.336  -6.754  -6.754
  533   1H    MET   1          2H        MET  75 -12.910  -5.644  -5.644
  534   2H    MET   1          1H        MET  75 -14.367  -4.792  -4.792
  535   3H    MET   1          3H        MET  75 -13.186  -4.751  -4.751
  536    HA   MET   1           HA       MET  75 -13.097  -2.679  -2.679
  537   1HB   MET   1          2HB       MET  75 -14.079  -4.215  -4.215
  538   2HB   MET   1          1HB       MET  75 -12.394  -4.110  -4.110
  539   1HG   MET   1          2HG       MET  75 -12.487  -1.822  -1.822
  540   2HG   MET   1          1HG       MET  75 -13.753  -1.597  -1.597
  541   1HE   MET   1          2HE       MET  75 -14.392   0.076   0.076
  542   2HE   MET   1          1HE       MET  75 -15.988  -0.500  -0.500
  543   3HE   MET   1          3HE       MET  75 -15.623  -0.204  -0.204
  544    H    ARG   2           H        ARG  76 -11.205  -2.885  -2.885
  545    HA   ARG   2           HA       ARG  76  -8.679  -2.955  -2.955
  546   1HB   ARG   2          2HB       ARG  76  -9.723  -5.286  -5.286
  547   2HB   ARG   2          1HB       ARG  76  -8.079  -4.837  -4.837
  548   1HG   ARG   2          2HG       ARG  76  -8.610  -4.830  -4.830
  549   2HG   ARG   2          1HG       ARG  76  -8.657  -6.415  -6.415
  550   1HD   ARG   2          2HD       ARG  76  -6.410  -5.290  -5.290
  551   2HD   ARG   2          1HD       ARG  76  -6.349  -4.665  -4.665
  552    HE   ARG   2           HE       ARG  76  -6.562  -7.572  -7.572
  553   1HH1  ARG   2          2HH1      ARG  76  -7.400  -7.739  -7.739
  554   2HH1  ARG   2          1HH1      ARG  76  -6.017  -7.525  -7.525
  555   1HH2  ARG   2          1HH2      ARG  76  -4.071  -6.094  -6.094
  556   2HH2  ARG   2          2HH2      ARG  76  -4.132  -6.596  -6.596
  557    H    TYR   3           H        TYR  77  -6.878  -2.333  -2.333
  558    HA   TYR   3           HA       TYR  77  -7.693  -0.879  -0.879
  559   1HB   TYR   3          2HB       TYR  77  -4.899  -0.671  -0.671
  560   2HB   TYR   3          1HB       TYR  77  -6.056   0.620   0.620
  561    HD1  TYR   3           HD1      TYR  77  -7.550   1.430   1.430
  562    HD2  TYR   3           HD2      TYR  77  -4.631  -1.640  -1.640
  563    HE1  TYR   3           HE1      TYR  77  -7.829   1.727   1.727
  564    HE2  TYR   3           HE2      TYR  77  -4.907  -1.337  -1.337
  565    HH   TYR   3           HH       TYR  77  -5.882  -0.177  -0.177
  566    H    TYR   4           H        TYR  78  -7.832  -3.552  -3.552
  567    HA   TYR   4           HA       TYR  78  -5.433  -4.974  -4.974
  568   1HB   TYR   4          2HB       TYR  78  -8.285  -5.324  -5.324
  569   2HB   TYR   4          1HB       TYR  78  -7.643  -6.020  -6.020
  570    HD1  TYR   4           HD2      TYR  78  -5.969  -5.743  -5.743
  571    HD2  TYR   4           HD1      TYR  78  -7.752  -8.341  -8.341
  572    HE1  TYR   4           HE2      TYR  78  -5.178  -7.717  -7.717
  573    HE2  TYR   4           HE1      TYR  78  -6.966 -10.315 -10.315
  574    HH   TYR   4           HH       TYR  78  -6.338 -10.813 -10.813
  575    H    GLU   5           H        GLU  79  -5.642  -6.147  -6.147
  576    HA   GLU   5           HA       GLU  79  -5.043  -4.047  -4.047
  577   1HB   GLU   5          2HB       GLU  79  -3.380  -5.715  -5.715
  578   2HB   GLU   5          1HB       GLU  79  -4.570  -7.012  -7.012
  579   1HG   GLU   5          2HG       GLU  79  -3.543  -7.028  -7.028
  580   2HG   GLU   5          1HG       GLU  79  -5.238  -6.559  -6.559
  581    H    SER   6           H        SER  80  -7.693  -5.869  -5.869
  582    HA   SER   6           HA       SER  80  -8.906  -5.739  -5.739
  583   1HB   SER   6          2HB       SER  80  -8.563  -7.881  -7.881
  584   2HB   SER   6          1HB       SER  80 -10.285  -7.559  -7.559
  585    HG   SER   6           HG       SER  80 -10.021  -8.726  -8.726
  586    H    SER   7           H        SER  81  -8.806  -3.926  -3.926
  587    HA   SER   7           HA       SER  81 -11.287  -2.617  -2.617
  588   1HB   SER   7          2HB       SER  81 -12.776  -3.958  -3.958
  589   2HB   SER   7          1HB       SER  81 -11.532  -5.198  -5.198
  590    HG   SER   7           HG       SER  81 -11.316  -4.796  -4.796
  591    H    LEU   8           H        LEU  82 -11.017  -0.682  -0.682
  592    HA   LEU   8           HA       LEU  82  -9.229  -0.783  -0.783
  593   1HB   LEU   8          2HB       LEU  82  -7.910   0.898   0.898
  594   2HB   LEU   8          1HB       LEU  82  -8.433   0.187   0.187
  595    HG   LEU   8           HG       LEU  82 -10.393   1.877   1.877
  596   1HD1  LEU   8          2HD1      LEU  82  -9.127   2.429   2.429
  597   2HD1  LEU   8          1HD1      LEU  82  -8.752   3.800   3.800
  598   3HD1  LEU   8          3HD1      LEU  82 -10.432   3.350   3.350
  599   1HD2  LEU   8          3HD2      LEU  82  -7.734   2.002   2.002
  600   2HD2  LEU   8          2HD2      LEU  82  -9.145   2.863   2.863
  601   3HD2  LEU   8          1HD2      LEU  82  -8.124   3.606   3.606
  602    H    LYS   9           H        LYS  83 -12.197   0.330   0.330
  603    HA   LYS   9           HA       LYS  83 -12.683   2.540   2.540
  604   1HB   LYS   9          2HB       LYS  83 -14.697   0.700   0.700
  605   2HB   LYS   9          1HB       LYS  83 -14.928   2.387   2.387
  606   1HG   LYS   9          2HG       LYS  83 -13.047   2.957   2.957
  607   2HG   LYS   9          1HG       LYS  83 -13.154   1.293   1.293
  608   1HD   LYS   9          2HD       LYS  83 -14.587   2.431   2.431
  609   2HD   LYS   9          1HD       LYS  83 -15.700   1.799   1.799
  610   1HE   LYS   9          2HE       LYS  83 -16.391   4.025   4.025
  611   2HE   LYS   9          1HE       LYS  83 -15.136   4.137   4.137
  612   1HZ   LYS   9          3HZ       LYS  83 -13.632   4.306   4.306
  613   2HZ   LYS   9          2HZ       LYS  83 -15.055   4.988   4.988
  614   3HZ   LYS   9          1HZ       LYS  83 -14.313   5.676   5.676
  615    H    SER  10           H        SER  84 -12.511   2.087   2.087
  616    HA   SER  10           HA       SER  84 -12.617  -0.035  -0.035
  617   1HB   SER  10          2HB       SER  84 -14.199   1.406   1.406
  618   2HB   SER  10          1HB       SER  84 -12.629   2.053   2.053
  619    HG   SER  10           HG       SER  84 -13.749   3.630   3.630
  620    H    TYR  11           H        TYR  85 -13.725  -1.821  -1.821
  621    HA   TYR  11           HA       TYR  85 -16.649  -1.718  -1.718
  622   1HB   TYR  11          2HB       TYR  85 -14.597  -3.946  -3.946
  623   2HB   TYR  11          1HB       TYR  85 -16.262  -4.029  -4.029
  624    HD1  TYR  11           HD1      TYR  85 -17.033  -2.339  -2.339
  625    HD2  TYR  11           HD2      TYR  85 -12.889  -2.960  -2.960
  626    HE1  TYR  11           HE1      TYR  85 -16.366  -1.267  -1.267
  627    HE2  TYR  11           HE2      TYR  85 -12.231  -1.886  -1.886
  628    HH   TYR  11           HH       TYR  85 -13.324  -1.528  -1.528
  629    HA   PRO  12           HA       PRO  86 -17.602  -3.357  -3.357
  630   1HB   PRO  12          2HB       PRO  86 -19.889  -4.748  -4.748
  631   2HB   PRO  12          1HB       PRO  86 -19.826  -2.976  -2.976
  632   1HG   PRO  12          2HG       PRO  86 -19.840  -4.799  -4.799
  633   2HG   PRO  12          1HG       PRO  86 -20.586  -3.207  -3.207
  634   1HD   PRO  12          2HD       PRO  86 -18.246  -3.661  -3.661
  635   2HD   PRO  12          1HD       PRO  86 -18.699  -2.104  -2.104
  636    H    ASP  13           HN       ASP  87 -18.350  -5.863  -5.863
  637    HA   ASP  13           HA       ASP  87 -16.847  -7.830  -7.830
  638   1HB   ASP  13          2HB       ASP  87 -18.405  -9.473  -9.473
  639   2HB   ASP  13          1HB       ASP  87 -19.224  -8.288  -8.288

  Start of MODEL   11
    1   1H    ILE   1          2H        ILE   1   8.646  12.807  12.807
    2   2H    ILE   1          1H        ILE   1   9.235  13.899  13.899
    3   3H    ILE   1          3H        ILE   1   8.804  14.455  14.455
    4    HA   ILE   1           HA       ILE   1   6.910  15.055  15.055
    5    HB   ILE   1           HB       ILE   1   6.200  13.709  13.709
    6   1HG1  ILE   1          2HG1      ILE   1   8.822  12.271  12.271
    7   2HG1  ILE   1          1HG1      ILE   1   7.227  11.570  11.570
    8   1HG2  ILE   1          1HG2      ILE   1   8.417  15.450  15.450
    9   2HG2  ILE   1          3HG2      ILE   1   8.926  14.189  14.189
   10   3HG2  ILE   1          2HG2      ILE   1   7.494  15.157  15.157
   11   1HD1  ILE   1          2HD1      ILE   1   6.984  12.518  12.518
   12   2HD1  ILE   1          1HD1      ILE   1   8.669  12.000  12.000
   13   3HD1  ILE   1          3HD1      ILE   1   7.386  10.853  10.853
   14    H    VAL   2           H        VAL   2   4.629  14.002  14.002
   15    HA   VAL   2           HA       VAL   2   4.263  12.169  12.169
   16    HB   VAL   2           HB       VAL   2   2.177  13.331  13.331
   17   1HG1  VAL   2          1HG1      VAL   2   1.900  11.656  11.656
   18   2HG1  VAL   2          3HG1      VAL   2   1.857  13.203  13.203
   19   3HG1  VAL   2          2HG1      VAL   2   0.690  12.865  12.865
   20   1HG2  VAL   2          2HG2      VAL   2   3.879  14.671  14.671
   21   2HG2  VAL   2          1HG2      VAL   2   3.341  15.290  15.290
   22   3HG2  VAL   2          3HG2      VAL   2   2.209  15.196  15.196
   23    H    CYS   3           H        CYS   3   3.053  10.182  10.182
   24    HA   CYS   3           HA       CYS   3   2.763   9.117   9.117
   25   1HB   CYS   3          2HB       CYS   3   4.014   7.578   7.578
   26   2HB   CYS   3          1HB       CYS   3   4.047   7.224   7.224
   27    H    HIS   4           H        HIS   4   1.331   7.181   7.181
   28    HA   HIS   4           HA       HIS   4  -0.829   7.419   7.419
   29   1HB   HIS   4          2HB       HIS   4  -0.595   5.521   5.521
   30   2HB   HIS   4          1HB       HIS   4  -2.060   6.093   6.093
   31    HD1  HIS   4           HD1      HIS   4  -1.557   9.085   9.085
   32    HD2  HIS   4           HD2      HIS   4  -0.736   6.787   6.787
   33    HE1  HIS   4           HE1      HIS   4  -1.549  10.677  10.677
   34    H    THR   5           H        THR   5  -1.550   5.671   5.671
   35    HA   THR   5           HA       THR   5   0.436   3.430   3.430
   36    HB   THR   5           HB       THR   5   0.652   3.896   3.896
   37    HG1  THR   5           HG1      THR   5  -1.489   3.453   3.453
   38   1HG2  THR   5          1HG2      THR   5   1.176   6.044   6.044
   39   2HG2  THR   5          3HG2      THR   5  -0.473   6.577   6.577
   40   3HG2  THR   5          2HG2      THR   5   0.635   6.275   6.275
   41    H    THR   6           H        THR   6  -0.629   1.598   1.598
   42    HA   THR   6           HA       THR   6  -3.558   1.306   1.306
   43    HB   THR   6           HB       THR   6  -3.151  -0.711  -0.711
   44    HG1  THR   6           HG1      THR   6  -0.572  -0.254  -0.254
   45   1HG2  THR   6          3HG2      THR   6  -2.638   1.783   1.783
   46   2HG2  THR   6          2HG2      THR   6  -1.082   1.015   1.015
   47   3HG2  THR   6          1HG2      THR   6  -2.550   0.341   0.341
   48    H    ALA   7           H        ALA   7  -0.573   0.669   0.669
   49    HA   ALA   7           HA       ALA   7  -1.452  -1.715  -1.715
   50   1HB   ALA   7          1HB       ALA   7   0.990  -0.135  -0.135
   51   2HB   ALA   7          3HB       ALA   7   0.962  -1.024  -1.024
   52   3HB   ALA   7          2HB       ALA   7   0.761  -1.890  -1.890
   53    H    THR   8           H        THR   8  -0.793   1.699   1.699
   54    HA   THR   8           HA       THR   8  -1.571   1.071   1.071
   55    HB   THR   8           HB       THR   8  -0.917   3.662   3.662
   56    HG1  THR   8           HG1      THR   8  -0.611   4.091   4.091
   57   1HG2  THR   8          3HG2      THR   8   0.651   1.161   1.161
   58   2HG2  THR   8          2HG2      THR   8   1.602   2.627   2.627
   59   3HG2  THR   8          1HG2      THR   8   0.573   2.464   2.464
   60    H    SER   9           H        SER   9  -2.231   4.279   4.279
   61    HA   SER   9           HA       SER   9  -5.059   4.009   4.009
   62   1HB   SER   9          2HB       SER   9  -3.157   6.071   6.071
   63   2HB   SER   9          1HB       SER   9  -4.875   6.334   6.334
   64    HG   SER   9           HG       SER   9  -3.964   7.178   7.178
   65    HA   PRO  10           HA       PRO  10  -6.520   2.761   2.761
   66   1HB   PRO  10          2HB       PRO  10  -8.446   4.582   4.582
   67   2HB   PRO  10          1HB       PRO  10  -8.680   3.311   3.311
   68   1HG   PRO  10          2HG       PRO  10  -8.044   6.199   6.199
   69   2HG   PRO  10          1HG       PRO  10  -9.144   5.160   5.160
   70   1HD   PRO  10          2HD       PRO  10  -6.670   5.814   5.814
   71   2HD   PRO  10          1HD       PRO  10  -7.444   4.258   4.258
   72    H    ILE  11           H        ILE  11  -6.127   3.104   3.104
   73    HA   ILE  11           HA       ILE  11  -4.044   4.442   4.442
   74    HB   ILE  11           HB       ILE  11  -6.398   3.284   3.284
   75   1HG1  ILE  11          2HG1      ILE  11  -3.669   4.068   4.068
   76   2HG1  ILE  11          1HG1      ILE  11  -4.328   2.458   2.458
   77   1HG2  ILE  11          2HG2      ILE  11  -5.736   5.925   5.925
   78   2HG2  ILE  11          1HG2      ILE  11  -6.759   4.671   4.671
   79   3HG2  ILE  11          3HG2      ILE  11  -7.264   5.501   5.501
   80   1HD1  ILE  11          3HD1      ILE  11  -5.980   3.153   3.153
   81   2HD1  ILE  11          2HD1      ILE  11  -4.652   4.236   4.236
   82   3HD1  ILE  11          1HD1      ILE  11  -4.381   2.495   2.495
   83    H    SER  12           H        SER  12  -3.385   6.349   6.349
   84    HA   SER  12           HA       SER  12  -4.786   8.775   8.775
   85   1HB   SER  12          2HB       SER  12  -5.099   9.652   9.652
   86   2HB   SER  12          1HB       SER  12  -5.804   8.038   8.038
   87    HG   SER  12           HG       SER  12  -3.265   8.846   8.846
   88    H    ALA  13           H        ALA  13  -3.217  10.447  10.447
   89    HA   ALA  13           HA       ALA  13  -0.448   9.523   9.523
   90   1HB   ALA  13          2HB       ALA  13  -1.997  11.535  11.535
   91   2HB   ALA  13          1HB       ALA  13  -0.433  12.140  12.140
   92   3HB   ALA  13          3HB       ALA  13  -0.511  10.714  10.714
   93    H    VAL  14           H        VAL  14   0.493   9.703   9.703
   94    HA   VAL  14           HA       VAL  14   0.222  12.346  12.346
   95    HB   VAL  14           HB       VAL  14  -0.079  11.318  11.318
   96   1HG1  VAL  14          3HG1      VAL  14  -1.741  10.399  10.399
   97   2HG1  VAL  14          2HG1      VAL  14  -0.860   8.883   8.883
   98   3HG1  VAL  14          1HG1      VAL  14  -1.663   9.615   9.615
   99   1HG2  VAL  14          2HG2      VAL  14   2.131  10.198  10.198
  100   2HG2  VAL  14          1HG2      VAL  14   0.889   9.150   9.150
  101   3HG2  VAL  14          3HG2      VAL  14   1.434   8.893   8.893
  102    H    THR  15           H        THR  15   2.109  13.205  13.205
  103    HA   THR  15           HA       THR  15   4.556  12.517  12.517
  104    HB   THR  15           HB       THR  15   4.311  14.074  14.074
  105    HG1  THR  15           HG1      THR  15   3.702  15.829  15.829
  106   1HG2  THR  15          1HG2      THR  15   6.125  13.944  13.944
  107   2HG2  THR  15          3HG2      THR  15   5.794  15.558  15.558
  108   3HG2  THR  15          2HG2      THR  15   6.489  14.324  14.324
  109    H    CYS  16           H        CYS  16   6.311  11.264  11.264
  110    HA   CYS  16           HA       CYS  16   5.804   9.586   9.586
  111   1HB   CYS  16          2HB       CYS  16   7.047   9.327   9.327
  112   2HB   CYS  16          1HB       CYS  16   8.224   8.916   8.916
  113    HA   PRO  17           HA       PRO  17   8.957  11.330  11.330
  114   1HB   PRO  17          2HB       PRO  17  10.630   9.264   9.264
  115   2HB   PRO  17          1HB       PRO  17   8.987   9.431   9.431
  116   1HG   PRO  17          2HG       PRO  17   9.997   7.680   7.680
  117   2HG   PRO  17          1HG       PRO  17   8.773   7.355   7.355
  118   1HD   PRO  17          2HD       PRO  17   8.192   7.985   7.985
  119   2HD   PRO  17          1HD       PRO  17   7.096   8.296   8.296
  120    HA   PRO  18           HA       PRO  18  12.622  12.435  12.435
  121   1HB   PRO  18          2HB       PRO  18  14.583  12.407  12.407
  122   2HB   PRO  18          1HB       PRO  18  13.318  13.651  13.651
  123   1HG   PRO  18          2HG       PRO  18  13.482  11.227  11.227
  124   2HG   PRO  18          1HG       PRO  18  12.954  12.868  12.868
  125   1HD   PRO  18          2HD       PRO  18  11.211  10.858  10.858
  126   2HD   PRO  18          1HD       PRO  18  10.846  12.551  12.551
  127    H    GLY  19           H        GLY  19  12.863  10.596  10.596
  128   1HA   GLY  19          2HA       GLY  19  15.306   9.162   9.162
  129   2HA   GLY  19          1HA       GLY  19  14.014   8.099   8.099
  130    H    GLU  20           H        GLU  20  11.922   8.645   8.645
  131    HA   GLU  20           HA       GLU  20  12.658   7.405   7.405
  132   1HB   GLU  20          2HB       GLU  20  10.476   6.962   6.962
  133   2HB   GLU  20          1HB       GLU  20  10.265   8.544   8.544
  134   1HG   GLU  20          2HG       GLU  20  10.588   8.368   8.368
  135   2HG   GLU  20          1HG       GLU  20   9.023   7.979   7.979
  136    H    ASN  21           H        ASN  21  12.871   8.360   8.360
  137    HA   ASN  21           HA       ASN  21  13.053  11.343  11.343
  138   1HB   ASN  21          2HB       ASN  21  14.551   9.089   9.089
  139   2HB   ASN  21          1HB       ASN  21  14.675  10.755  10.755
  140   1HD2  ASN  21          2HD2      ASN  21  16.062   9.931   9.931
  141   2HD2  ASN  21          1HD2      ASN  21  14.734   9.075   9.075
  142    H    LEU  22           H        LEU  22  11.437   8.570   8.570
  143    HA   LEU  22           HA       LEU  22   9.770  10.165  10.165
  144   1HB   LEU  22          2HB       LEU  22  10.208   8.720   8.720
  145   2HB   LEU  22          1HB       LEU  22  11.754   9.311   9.311
  146    HG   LEU  22           HG       LEU  22  11.198   6.953   6.953
  147   1HD1  LEU  22          3HD1      LEU  22   9.674   6.783   6.783
  148   2HD1  LEU  22          2HD1      LEU  22  11.199   6.135   6.135
  149   3HD1  LEU  22          1HD1      LEU  22  10.405   5.381   5.381
  150   1HD2  LEU  22          1HD2      LEU  22  13.110   7.861   7.861
  151   2HD2  LEU  22          3HD2      LEU  22  13.436   7.414   7.414
  152   3HD2  LEU  22          2HD2      LEU  22  13.117   6.162   6.162
  153    H    CYS  23           H        CYS  23   8.140   8.353   8.353
  154    HA   CYS  23           HA       CYS  23   7.108   6.851   6.851
  155   1HB   CYS  23          2HB       CYS  23   5.871   7.605   7.605
  156   2HB   CYS  23          1HB       CYS  23   5.009   6.990   6.990
  157    H    TYR  24           H        TYR  24   5.848   4.754   4.754
  158    HA   TYR  24           HA       TYR  24   7.237   3.450   3.450
  159   1HB   TYR  24          2HB       TYR  24   8.244   1.767   1.767
  160   2HB   TYR  24          1HB       TYR  24   8.602   3.281   3.281
  161    HD1  TYR  24           HD1      TYR  24   6.331   0.356   0.356
  162    HD2  TYR  24           HD2      TYR  24   7.737   3.726   3.726
  163    HE1  TYR  24           HE1      TYR  24   5.142  -0.491  -0.491
  164    HE2  TYR  24           HE2      TYR  24   6.552   2.890   2.890
  165    HH   TYR  24           HH       TYR  24   4.222   0.414   0.414
  166    H    ARG  25           H        ARG  25   6.073   1.744   1.744
  167    HA   ARG  25           HA       ARG  25   3.403   1.252   1.252
  168   1HB   ARG  25          2HB       ARG  25   4.405   0.867   0.867
  169   2HB   ARG  25          1HB       ARG  25   2.738   0.665   0.665
  170   1HG   ARG  25          2HG       ARG  25   2.438   2.855   2.855
  171   2HG   ARG  25          1HG       ARG  25   3.464   3.200   3.200
  172   1HD   ARG  25          2HD       ARG  25   4.435   4.360   4.360
  173   2HD   ARG  25          1HD       ARG  25   5.467   2.949   2.949
  174    HE   ARG  25           HE       ARG  25   4.349   1.799   1.799
  175   1HH1  ARG  25          2HH1      ARG  25   2.036   3.981   3.981
  176   2HH1  ARG  25          1HH1      ARG  25   2.080   4.709   4.709
  177   1HH2  ARG  25          1HH2      ARG  25   5.086   3.227   3.227
  178   2HH2  ARG  25          2HH2      ARG  25   3.807   4.281   4.281
  179    H    LYS  26           H        LYS  26   3.371  -0.774  -0.774
  180    HA   LYS  26           HA       LYS  26   5.209  -2.870  -2.870
  181   1HB   LYS  26          2HB       LYS  26   4.552  -1.906  -1.906
  182   2HB   LYS  26          1HB       LYS  26   4.038  -3.584  -3.584
  183   1HG   LYS  26          2HG       LYS  26   6.168  -4.288  -4.288
  184   2HG   LYS  26          1HG       LYS  26   6.594  -3.284  -3.284
  185   1HD   LYS  26          2HD       LYS  26   7.955  -2.646  -2.646
  186   2HD   LYS  26          1HD       LYS  26   6.847  -1.342  -1.342
  187   1HE   LYS  26          2HE       LYS  26   5.289  -2.143  -2.143
  188   2HE   LYS  26          1HE       LYS  26   6.483  -3.378  -3.378
  189   1HZ   LYS  26          2HZ       LYS  26   7.535  -0.699  -0.699
  190   2HZ   LYS  26          1HZ       LYS  26   6.485  -0.903  -0.903
  191   3HZ   LYS  26          3HZ       LYS  26   7.872  -1.869  -1.869
  192    H    MET  27           H        MET  27   4.333  -5.115  -5.115
  193    HA   MET  27           HA       MET  27   1.432  -5.494  -5.494
  194   1HB   MET  27          2HB       MET  27   3.125  -5.129  -5.129
  195   2HB   MET  27          1HB       MET  27   2.593  -6.810  -6.810
  196   1HG   MET  27          2HG       MET  27   0.238  -6.001  -6.001
  197   2HG   MET  27          1HG       MET  27   0.822  -4.351  -4.351
  198   1HE   MET  27          2HE       MET  27   2.290  -3.637  -3.637
  199   2HE   MET  27          1HE       MET  27   1.962  -3.973  -3.973
  200   3HE   MET  27          3HE       MET  27   0.712  -3.244  -3.244
  201    H    TRP  28           H        TRP  28   0.970  -7.217  -7.217
  202    HA   TRP  28           HA       TRP  28   2.600  -9.620  -9.620
  203   1HB   TRP  28          2HB       TRP  28   3.179  -9.571  -9.571
  204   2HB   TRP  28          1HB       TRP  28   3.910  -8.255  -8.255
  205    HD1  TRP  28           HD1      TRP  28   0.234  -8.233  -8.233
  206    HE1  TRP  28           HE1      TRP  28   0.026  -6.296  -6.296
  207    HE3  TRP  28           HE3      TRP  28   5.073  -6.820  -6.820
  208    HZ2  TRP  28           HZ2      TRP  28   1.710  -4.406  -4.406
  209    HZ3  TRP  28           HZ3      TRP  28   5.789  -4.952  -4.952
  210    HH2  TRP  28           HH2      TRP  28   4.107  -3.737  -3.737
  211    H    CYS  29           H        CYS  29   1.829 -11.000 -11.000
  212    HA   CYS  29           HA       CYS  29  -1.067 -11.356 -11.356
  213   1HB   CYS  29          2HB       CYS  29   1.218 -12.902 -12.902
  214   2HB   CYS  29          1HB       CYS  29  -0.002 -13.057 -13.057
  215    H    ASP  30           H        ASP  30  -2.665 -10.809 -10.809
  216    HA   ASP  30           HA       ASP  30  -2.085  -8.956  -8.956
  217   1HB   ASP  30          2HB       ASP  30  -4.482  -9.027  -9.027
  218   2HB   ASP  30          1HB       ASP  30  -4.176  -9.166  -9.166
  219    H    ALA  31           H        ALA  31  -4.090 -10.212 -10.212
  220    HA   ALA  31           HA       ALA  31  -2.528 -11.291 -11.291
  221   1HB   ALA  31          3HB       ALA  31  -5.340 -11.710 -11.710
  222   2HB   ALA  31          2HB       ALA  31  -4.745 -12.735 -12.735
  223   3HB   ALA  31          1HB       ALA  31  -4.761 -10.982 -10.982
  224    H    PHE  32           H        PHE  32  -4.512 -13.571 -13.571
  225    HA   PHE  32           HA       PHE  32  -2.124 -15.377 -15.377
  226   1HB   PHE  32          2HB       PHE  32  -4.888 -15.769 -15.769
  227   2HB   PHE  32          1HB       PHE  32  -4.136 -17.131 -17.131
  228    HD1  PHE  32           HD1      PHE  32  -3.517 -14.602 -14.602
  229    HD2  PHE  32           HD2      PHE  32  -2.549 -18.477 -18.477
  230    HE1  PHE  32           HE1      PHE  32  -2.157 -15.085 -15.085
  231    HE2  PHE  32           HE2      PHE  32  -1.189 -18.960 -18.960
  232    HZ   PHE  32           HZ       PHE  32  -0.993 -17.264 -17.264
  233    H    CYS  33           H        CYS  33  -2.764 -13.705 -13.705
  234    HA   CYS  33           HA       CYS  33  -3.278 -13.743 -13.743
  235   1HB   CYS  33          2HB       CYS  33  -3.127 -16.699 -16.699
  236   2HB   CYS  33          1HB       CYS  33  -3.140 -16.051 -16.051
  237    H    SER  34           H        SER  34  -5.365 -12.908 -12.908
  238    HA   SER  34           HA       SER  34  -7.688 -14.648 -14.648
  239   1HB   SER  34          2HB       SER  34  -7.436 -11.741 -11.741
  240   2HB   SER  34          1HB       SER  34  -8.921 -12.518 -12.518
  241    HG   SER  34           HG       SER  34  -7.558 -11.316 -11.316
  242    H    SER  35           H        SER  35  -9.576 -14.222 -14.222
  243    HA   SER  35           HA       SER  35  -8.548 -15.207 -15.207
  244   1HB   SER  35          2HB       SER  35 -11.116 -15.010 -15.010
  245   2HB   SER  35          1HB       SER  35 -11.240 -14.989 -14.989
  246    HG   SER  35           HG       SER  35  -9.984 -16.934 -16.934
  247    H    ARG  36           H        ARG  36  -8.430 -12.239 -12.239
  248    HA   ARG  36           HA       ARG  36  -9.693 -10.935 -10.935
  249   1HB   ARG  36          2HB       ARG  36  -9.360 -10.311 -10.311
  250   2HB   ARG  36          1HB       ARG  36  -8.973  -8.958  -8.958
  251   1HG   ARG  36          2HG       ARG  36 -11.263  -8.662  -8.662
  252   2HG   ARG  36          1HG       ARG  36 -11.218  -9.686  -9.686
  253   1HD   ARG  36          2HD       ARG  36 -12.497 -11.195 -11.195
  254   2HD   ARG  36          1HD       ARG  36 -11.166 -11.428 -11.428
  255    HE   ARG  36           HE       ARG  36 -12.211  -9.870  -9.870
  256   1HH1  ARG  36          1HH2      ARG  36 -12.935  -7.787  -7.787
  257   2HH1  ARG  36          2HH2      ARG  36 -14.666  -7.854  -7.854
  258   1HH2  ARG  36          2HH1      ARG  36 -14.799 -10.938 -10.938
  259   2HH2  ARG  36          1HH1      ARG  36 -15.721  -9.639  -9.639
  260    H    GLY  37           H        GLY  37  -6.960 -12.305 -12.305
  261   1HA   GLY  37          2HA       GLY  37  -5.040 -11.748 -11.748
  262   2HA   GLY  37          1HA       GLY  37  -5.419 -10.041 -10.041
  263    H    LYS  38           H        LYS  38  -3.190  -9.683  -9.683
  264    HA   LYS  38           HA       LYS  38  -2.386 -10.940 -10.940
  265   1HB   LYS  38          2HB       LYS  38  -0.761  -8.875  -8.875
  266   2HB   LYS  38          1HB       LYS  38  -0.215 -10.296 -10.296
  267   1HG   LYS  38          2HG       LYS  38  -1.352 -10.078 -10.078
  268   2HG   LYS  38          1HG       LYS  38   0.164 -10.805 -10.805
  269   1HD   LYS  38          2HD       LYS  38  -1.835 -12.194 -12.194
  270   2HD   LYS  38          1HD       LYS  38  -2.455 -12.037 -12.037
  271   1HE   LYS  38          2HE       LYS  38  -1.162 -14.035 -14.035
  272   2HE   LYS  38          1HE       LYS  38  -0.072 -12.808 -12.808
  273   1HZ   LYS  38          2HZ       LYS  38   0.418 -12.439 -12.439
  274   2HZ   LYS  38          1HZ       LYS  38  -0.029 -14.076 -14.076
  275   3HZ   LYS  38          3HZ       LYS  38   1.263 -13.601 -13.601
  276    H    VAL  39           H        VAL  39  -1.235  -7.786  -7.786
  277    HA   VAL  39           HA       VAL  39  -3.356  -6.326  -6.326
  278    HB   VAL  39           HB       VAL  39  -0.658  -6.637  -6.637
  279   1HG1  VAL  39          3HG1      VAL  39  -2.157  -4.554  -4.554
  280   2HG1  VAL  39          2HG1      VAL  39  -3.228  -5.626  -5.626
  281   3HG1  VAL  39          1HG1      VAL  39  -1.576  -5.362  -5.362
  282   1HG2  VAL  39          1HG2      VAL  39  -3.306  -7.967  -7.967
  283   2HG2  VAL  39          3HG2      VAL  39  -1.814  -8.780  -8.780
  284   3HG2  VAL  39          2HG2      VAL  39  -1.913  -7.941  -7.941
  285    H    VAL  40           H        VAL  40  -2.660  -3.954  -3.954
  286    HA   VAL  40           HA       VAL  40  -0.274  -3.444  -3.444
  287    HB   VAL  40           HB       VAL  40  -3.143  -2.599  -2.599
  288   1HG1  VAL  40          3HG1      VAL  40  -0.912  -0.768  -0.768
  289   2HG1  VAL  40          2HG1      VAL  40  -1.518  -0.967  -0.967
  290   3HG1  VAL  40          1HG1      VAL  40  -2.608  -0.439  -0.439
  291   1HG2  VAL  40          2HG2      VAL  40  -1.876  -4.391  -4.391
  292   2HG2  VAL  40          1HG2      VAL  40  -2.688  -3.132  -3.132
  293   3HG2  VAL  40          3HG2      VAL  40  -0.945  -3.054  -3.054
  294    H    GLU  41           H        GLU  41   0.740  -2.976  -2.976
  295    HA   GLU  41           HA       GLU  41  -0.442  -0.729  -0.729
  296   1HB   GLU  41          2HB       GLU  41   1.548  -2.856  -2.856
  297   2HB   GLU  41          1HB       GLU  41   0.686  -1.775  -1.775
  298   1HG   GLU  41          2HG       GLU  41  -1.314  -2.957  -2.957
  299   2HG   GLU  41          1HG       GLU  41  -0.199  -4.272  -4.272
  300    H    LEU  42           H        LEU  42   0.468   1.076   1.076
  301    HA   LEU  42           HA       LEU  42   3.369   1.158   1.158
  302   1HB   LEU  42          2HB       LEU  42   1.725   3.617   3.617
  303   2HB   LEU  42          1HB       LEU  42   2.815   2.915   2.915
  304    HG   LEU  42           HG       LEU  42   0.752   1.083   1.083
  305   1HD1  LEU  42          3HD1      LEU  42  -0.257   3.810   3.810
  306   2HD1  LEU  42          2HD1      LEU  42  -1.214   2.815   2.815
  307   3HD1  LEU  42          1HD1      LEU  42  -0.840   2.230   2.230
  308   1HD2  LEU  42          2HD2      LEU  42   1.536   3.418   3.418
  309   2HD2  LEU  42          1HD2      LEU  42   1.491   1.704   1.704
  310   3HD2  LEU  42          3HD2      LEU  42  -0.003   2.630   2.630
  311    H    GLY  43           H        GLY  43   3.889   3.817   3.817
  312   1HA   GLY  43          2HA       GLY  43   3.093   4.938   4.938
  313   2HA   GLY  43          1HA       GLY  43   4.042   3.580   3.580
  314    H    CYS  44           H        CYS  44   5.832   4.693   4.693
  315    HA   CYS  44           HA       CYS  44   7.286   6.466   6.466
  316   1HB   CYS  44          2HB       CYS  44   8.088   6.921   6.921
  317   2HB   CYS  44          1HB       CYS  44   7.244   8.013   8.013
  318    H    ALA  45           H        ALA  45   9.660   6.433   6.433
  319    HA   ALA  45           HA       ALA  45  11.004   4.426   4.426
  320   1HB   ALA  45          3HB       ALA  45   9.762   3.663   3.663
  321   2HB   ALA  45          2HB       ALA  45  11.506   3.629   3.629
  322   3HB   ALA  45          1HB       ALA  45  10.786   2.673   2.673
  323    H    ALA  46           H        ALA  46  13.267   4.796   4.796
  324    HA   ALA  46           HA       ALA  46  14.125   7.357   7.357
  325   1HB   ALA  46          2HB       ALA  46  14.974   5.568   5.568
  326   2HB   ALA  46          1HB       ALA  46  16.087   5.171   5.171
  327   3HB   ALA  46          3HB       ALA  46  16.039   6.810   6.810
  328    H    THR  47           H        THR  47  14.142   4.154   4.154
  329    HA   THR  47           HA       THR  47  14.855   5.274   5.274
  330    HB   THR  47           HB       THR  47  16.868   3.470   3.470
  331    HG1  THR  47           HG1      THR  47  17.308   2.979   2.979
  332   1HG2  THR  47          3HG2      THR  47  16.583   6.301   6.301
  333   2HG2  THR  47          2HG2      THR  47  17.873   5.860   5.860
  334   3HG2  THR  47          1HG2      THR  47  17.967   5.368   5.368
  335    H    CYS  48           H        CYS  48  14.222   3.853   3.853
  336    HA   CYS  48           HA       CYS  48  12.286   1.919   1.919
  337   1HB   CYS  48          2HB       CYS  48  14.591   1.873   1.873
  338   2HB   CYS  48          1HB       CYS  48  13.022   1.103   1.103
  339    HA   PRO  49           HA       PRO  49  14.875  -1.037  -1.037
  340   1HB   PRO  49          2HB       PRO  49  12.775  -2.293  -2.293
  341   2HB   PRO  49          1HB       PRO  49  13.491  -0.788  -0.788
  342   1HG   PRO  49          2HG       PRO  49  10.983  -1.206  -1.206
  343   2HG   PRO  49          1HG       PRO  49  11.347  -0.038  -0.038
  344   1HD   PRO  49          2HD       PRO  49  11.283   0.560   0.560
  345   2HD   PRO  49          1HD       PRO  49  12.177   1.492   1.492
  346    H    SER  50           H        SER  50  12.299  -1.417  -1.417
  347    HA   SER  50           HA       SER  50  11.780  -3.164  -3.164
  348   1HB   SER  50          2HB       SER  50  14.416  -4.429  -4.429
  349   2HB   SER  50          1HB       SER  50  13.698  -3.858  -3.858
  350    HG   SER  50           HG       SER  50  15.532  -2.619  -2.619
  351    H    LYS  51           H        LYS  51  11.921  -5.718  -5.718
  352    HA   LYS  51           HA       LYS  51  11.126  -6.781  -6.781
  353   1HB   LYS  51          2HB       LYS  51  10.113  -8.572  -8.572
  354   2HB   LYS  51          1HB       LYS  51   9.540  -6.960  -6.960
  355   1HG   LYS  51          2HG       LYS  51  10.287  -7.251  -7.251
  356   2HG   LYS  51          1HG       LYS  51  11.927  -7.467  -7.467
  357   1HD   LYS  51          2HD       LYS  51  11.182  -9.888  -9.888
  358   2HD   LYS  51          1HD       LYS  51   9.836  -9.570  -9.570
  359   1HE   LYS  51          2HE       LYS  51  12.728  -9.110  -9.110
  360   2HE   LYS  51          1HE       LYS  51  11.862 -10.626 -10.626
  361   1HZ   LYS  51          3HZ       LYS  51  10.040  -9.088  -9.088
  362   2HZ   LYS  51          2HZ       LYS  51  11.260  -7.909  -7.909
  363   3HZ   LYS  51          1HZ       LYS  51  11.407  -9.352  -9.352
  364    H    LYS  52           H        LYS  52  12.138  -8.655  -8.655
  365    HA   LYS  52           HA       LYS  52  14.828  -9.236  -9.236
  366   1HB   LYS  52          2HB       LYS  52  13.538  -9.093  -9.093
  367   2HB   LYS  52          1HB       LYS  52  14.233 -10.703 -10.703
  368   1HG   LYS  52          2HG       LYS  52  16.283  -9.868  -9.868
  369   2HG   LYS  52          1HG       LYS  52  16.118  -8.813  -8.813
  370   1HD   LYS  52          2HD       LYS  52  16.380  -7.217  -7.217
  371   2HD   LYS  52          1HD       LYS  52  14.625  -7.391  -7.391
  372   1HE   LYS  52          2HE       LYS  52  15.814  -9.415  -9.415
  373   2HE   LYS  52          1HE       LYS  52  16.398  -7.808  -7.808
  374   1HZ   LYS  52          1HZ       LYS  52  13.551  -8.355  -8.355
  375   2HZ   LYS  52          3HZ       LYS  52  14.179  -8.493  -8.493
  376   3HZ   LYS  52          2HZ       LYS  52  14.210  -6.993  -6.993
  377    HA   PRO  53           HA       PRO  53  12.917 -13.564 -13.564
  378   1HB   PRO  53          2HB       PRO  53  10.352 -13.926 -13.926
  379   2HB   PRO  53          1HB       PRO  53  11.744 -13.919 -13.919
  380   1HG   PRO  53          2HG       PRO  53   9.678 -11.868 -11.868
  381   2HG   PRO  53          1HG       PRO  53  10.672 -12.194 -12.194
  382   1HD   PRO  53          2HD       PRO  53  11.047 -10.147 -10.147
  383   2HD   PRO  53          1HD       PRO  53  12.157 -10.608 -10.608
  384    H    TYR  54           H        TYR  54   9.585 -12.511 -12.511
  385    HA   TYR  54           HA       TYR  54   9.789 -12.372 -12.372
  386   1HB   TYR  54          2HB       TYR  54   7.516 -13.806 -13.806
  387   2HB   TYR  54          1HB       TYR  54   9.095 -14.570 -14.570
  388    HD1  TYR  54           HD2      TYR  54   7.173 -12.910 -12.910
  389    HD2  TYR  54           HD1      TYR  54   9.467 -16.308 -16.308
  390    HE1  TYR  54           HE2      TYR  54   6.943 -13.912 -13.912
  391    HE2  TYR  54           HE1      TYR  54   9.240 -17.309 -17.309
  392    HH   TYR  54           HH       TYR  54   8.587 -16.948 -16.948
  393    H    GLU  55           H        GLU  55   9.078 -10.596 -10.596
  394    HA   GLU  55           HA       GLU  55   6.302  -9.859  -9.859
  395   1HB   GLU  55          2HB       GLU  55   8.728  -8.410  -8.410
  396   2HB   GLU  55          1HB       GLU  55   7.058  -7.904  -7.904
  397   1HG   GLU  55          2HG       GLU  55   6.699 -10.331 -10.331
  398   2HG   GLU  55          1HG       GLU  55   8.456 -10.366 -10.366
  399    H    GLU  56           H        GLU  56   6.444  -7.048  -7.048
  400    HA   GLU  56           HA       GLU  56   7.796  -6.467  -6.467
  401   1HB   GLU  56          2HB       GLU  56   5.501  -7.705  -7.705
  402   2HB   GLU  56          1HB       GLU  56   4.805  -6.143  -6.143
  403   1HG   GLU  56          2HG       GLU  56   5.594  -5.099  -5.099
  404   2HG   GLU  56          1HG       GLU  56   6.936  -6.229  -6.229
  405    H    VAL  57           H        VAL  57   8.687  -4.992  -4.992
  406    HA   VAL  57           HA       VAL  57   6.950  -2.833  -2.833
  407    HB   VAL  57           HB       VAL  57   9.974  -3.147  -3.147
  408   1HG1  VAL  57          3HG1      VAL  57   8.432  -0.952  -0.952
  409   2HG1  VAL  57          2HG1      VAL  57   8.663  -1.777  -1.777
  410   3HG1  VAL  57          1HG1      VAL  57  10.061  -1.283  -1.283
  411   1HG2  VAL  57          2HG2      VAL  57   7.871  -4.579  -4.579
  412   2HG2  VAL  57          1HG2      VAL  57   9.611  -4.868  -4.868
  413   3HG2  VAL  57          3HG2      VAL  57   8.898  -3.712  -3.712
  414    H    THR  58           H        THR  58   7.222  -0.566  -0.566
  415    HA   THR  58           HA       THR  58   8.719  -0.103  -0.103
  416    HB   THR  58           HB       THR  58   6.059   1.143   1.143
  417    HG1  THR  58           HG1      THR  58   6.257  -1.671  -1.671
  418   1HG2  THR  58          2HG2      THR  58   7.815  -0.308  -0.308
  419   2HG2  THR  58          1HG2      THR  58   6.089  -0.222  -0.222
  420   3HG2  THR  58          3HG2      THR  58   7.025   1.260   1.260
  421    H    CYS  59           H        CYS  59   8.108   2.482   2.482
  422    HA   CYS  59           HA       CYS  59   8.380   3.961   3.961
  423   1HB   CYS  59          2HB       CYS  59  10.253   3.780   3.780
  424   2HB   CYS  59          1HB       CYS  59  10.099   5.326   5.326
  425    H    CYS  60           H        CYS  60   8.345   6.336   6.336
  426    HA   CYS  60           HA       CYS  60   7.285   7.372   7.372
  427   1HB   CYS  60          2HB       CYS  60   5.026   7.217   7.217
  428   2HB   CYS  60          1HB       CYS  60   5.422   5.960   5.960
  429    H    SER  61           H        SER  61   7.988   9.482   9.482
  430    HA   SER  61           HA       SER  61   8.564  10.719  10.719
  431   1HB   SER  61          2HB       SER  61   9.926  10.405  10.405
  432   2HB   SER  61          1HB       SER  61   9.715  12.123  12.123
  433    HG   SER  61           HG       SER  61  11.615  11.075  11.075
  434    H    THR  62           H        THR  62   6.214  10.993  10.993
  435    HA   THR  62           HA       THR  62   6.025  13.924  13.924
  436    HB   THR  62           HB       THR  62   3.669  12.409  12.409
  437    HG1  THR  62           HG1      THR  62   4.726  10.813  10.813
  438   1HG2  THR  62          1HG2      THR  62   5.612  14.396  14.396
  439   2HG2  THR  62          3HG2      THR  62   4.498  13.552  13.552
  440   3HG2  THR  62          2HG2      THR  62   3.872  14.552  14.552
  441    H    ASP  63           H        ASP  63   3.532  14.669  14.669
  442    HA   ASP  63           HA       ASP  63   3.175  14.313  14.313
  443   1HB   ASP  63          2HB       ASP  63   2.042  15.883  15.883
  444   2HB   ASP  63          1HB       ASP  63   0.950  15.610  15.610
  445    H    LYS  64           H        LYS  64   1.937  12.719  12.719
  446    HA   LYS  64           HA       LYS  64   0.532  10.804  10.804
  447   1HB   LYS  64          2HB       LYS  64  -1.073  12.621  12.621
  448   2HB   LYS  64          1HB       LYS  64  -1.725  11.349  11.349
  449   1HG   LYS  64          2HG       LYS  64  -1.401  12.565  12.565
  450   2HG   LYS  64          1HG       LYS  64  -0.040  13.467  13.467
  451   1HD   LYS  64          2HD       LYS  64  -2.637  13.906  13.906
  452   2HD   LYS  64          1HD       LYS  64  -2.532  14.517  14.517
  453   1HE   LYS  64          2HE       LYS  64  -0.238  15.518  15.518
  454   2HE   LYS  64          1HE       LYS  64  -0.897  15.306  15.306
  455   1HZ   LYS  64          2HZ       LYS  64  -3.019  16.303  16.303
  456   2HZ   LYS  64          1HZ       LYS  64  -1.836  17.026  17.026
  457   3HZ   LYS  64          3HZ       LYS  64  -1.832  17.304  17.304
  458    H    CYS  65           H        CYS  65   2.547  10.438  10.438
  459    HA   CYS  65           HA       CYS  65   1.309   9.529   9.529
  460   1HB   CYS  65          2HB       CYS  65   3.763   8.987   8.987
  461   2HB   CYS  65          1HB       CYS  65   3.347  10.682  10.682
  462    H    ASN  66           H        ASN  66   0.756   8.159   8.159
  463    HA   ASN  66           HA       ASN  66   1.920   5.469   5.469
  464   1HB   ASN  66          2HB       ASN  66   1.322   7.033   7.033
  465   2HB   ASN  66          1HB       ASN  66   0.702   5.387   5.387
  466   1HD2  ASN  66          2HD2      ASN  66   4.660   5.246   5.246
  467   2HD2  ASN  66          1HD2      ASN  66   3.538   5.919   5.919
  468    HA   PRO  67           HA       PRO  67  -2.849   5.292   5.292
  469   1HB   PRO  67          2HB       PRO  67  -3.566   6.227   6.227
  470   2HB   PRO  67          1HB       PRO  67  -3.473   7.276   7.276
  471   1HG   PRO  67          2HG       PRO  67  -1.613   7.026   7.026
  472   2HG   PRO  67          1HG       PRO  67  -1.991   8.430   8.430
  473   1HD   PRO  67          2HD       PRO  67   0.284   6.826   6.826
  474   2HD   PRO  67          1HD       PRO  67  -0.306   7.989   7.989
  475    H    HIS  68           H        HIS  68  -2.153   3.010   3.010
  476    HA   HIS  68           HA       HIS  68  -1.070   1.829   1.829
  477   1HB   HIS  68          2HB       HIS  68  -2.145  -0.255  -0.255
  478   2HB   HIS  68          1HB       HIS  68  -1.225   0.661   0.661
  479    HD1  HIS  68           HD1      HIS  68  -4.461  -0.861  -0.861
  480    HD2  HIS  68           HD2      HIS  68  -3.040   2.381   2.381
  481    HE1  HIS  68           HE1      HIS  68  -6.249  -0.312  -0.312
  482    HA   PRO  69           HA       PRO  69  -4.286   1.865   1.865
  483   1HB   PRO  69          2HB       PRO  69  -3.788  -0.439  -0.439
  484   2HB   PRO  69          1HB       PRO  69  -2.743   0.992   0.992
  485   1HG   PRO  69          2HG       PRO  69  -2.340  -1.551  -1.551
  486   2HG   PRO  69          1HG       PRO  69  -1.152  -0.460  -0.460
  487   1HD   PRO  69          2HD       PRO  69  -1.763  -0.637  -0.637
  488   2HD   PRO  69          1HD       PRO  69  -0.895   0.698   0.698
  489    H    LYS  70           H        LYS  70  -5.950   1.455   1.455
  490    HA   LYS  70           HA       LYS  70  -7.645  -0.782  -0.782
  491   1HB   LYS  70          2HB       LYS  70  -5.856  -0.872  -0.872
  492   2HB   LYS  70          1HB       LYS  70  -7.497  -1.430  -1.430
  493   1HG   LYS  70          2HG       LYS  70  -5.415  -2.544  -2.544
  494   2HG   LYS  70          1HG       LYS  70  -6.330  -3.382  -3.382
  495   1HD   LYS  70          2HD       LYS  70  -7.304  -2.437  -2.437
  496   2HD   LYS  70          1HD       LYS  70  -7.300  -4.075  -4.075
  497   1HE   LYS  70          2HE       LYS  70  -9.368  -3.765  -3.765
  498   2HE   LYS  70          1HE       LYS  70  -8.793  -2.379  -2.379
  499   1HZ   LYS  70          3HZ       LYS  70  -9.030  -1.914  -1.914
  500   2HZ   LYS  70          2HZ       LYS  70 -10.507  -2.185  -2.185
  501   3HZ   LYS  70          1HZ       LYS  70  -9.489  -0.924  -0.924
  502    H    GLN  71           H        GLN  71  -9.069   1.095   1.095
  503    HA   GLN  71           HA       GLN  71 -10.157   2.119   2.119
  504   1HB   GLN  71          2HB       GLN  71 -10.157   3.648   3.648
  505   2HB   GLN  71          1HB       GLN  71 -10.316   4.276   4.276
  506   1HG   GLN  71          2HG       GLN  71  -7.856   2.920   2.920
  507   2HG   GLN  71          1HG       GLN  71  -7.914   3.815   3.815
  508   1HE2  GLN  71          2HE2      GLN  71  -6.995   5.844   5.844
  509   2HE2  GLN  71          1HE2      GLN  71  -6.761   4.181   4.181
  510    H    ARG  72           H        ARG  72 -11.523   0.045   0.045
  511    HA   ARG  72           HA       ARG  72 -13.711  -0.727  -0.727
  512   1HB   ARG  72          2HB       ARG  72 -13.922   1.954   1.954
  513   2HB   ARG  72          1HB       ARG  72 -14.419   1.822   1.822
  514   1HG   ARG  72          2HG       ARG  72 -15.673  -0.288  -0.288
  515   2HG   ARG  72          1HG       ARG  72 -15.958   1.231   1.231
  516   1HD   ARG  72          2HD       ARG  72 -16.658   2.227   2.227
  517   2HD   ARG  72          1HD       ARG  72 -16.641   0.571   0.571
  518    HE   ARG  72           HE       ARG  72 -18.670   1.644   1.644
  519   1HH1  ARG  72          1HH2      ARG  72 -17.873  -1.073  -1.073
  520   2HH1  ARG  72          2HH2      ARG  72 -18.501  -2.214  -2.214
  521   1HH2  ARG  72          2HH1      ARG  72 -18.993   0.148   0.148
  522   2HH2  ARG  72          1HH1      ARG  72 -19.136  -1.523  -1.523
  523    HA   PRO  73           HA       PRO  73 -12.435  -1.669  -1.669
  524   1HB   PRO  73          2HB       PRO  73 -13.376  -4.237  -4.237
  525   2HB   PRO  73          1HB       PRO  73 -11.803  -3.771  -3.771
  526   1HG   PRO  73          2HG       PRO  73 -14.382  -4.290  -4.290
  527   2HG   PRO  73          1HG       PRO  73 -12.731  -4.686  -4.686
  528   1HD   PRO  73          2HD       PRO  73 -14.157  -2.569  -2.569
  529   2HD   PRO  73          1HD       PRO  73 -12.381  -2.628  -2.628
  530    H    GLY  74           HN       GLY  74 -14.237  -0.099  -0.099
  531   1HA   GLY  74          2HA       GLY  74 -16.964  -1.088  -1.088
  532   2HA   GLY  74          1HA       GLY  74 -16.359   0.406   0.406
  533   1H    MET   1          2H        MET  75 -11.732  -6.183  -6.183
  534   2H    MET   1          1H        MET  75 -13.419  -6.243  -6.243
  535   3H    MET   1          3H        MET  75 -12.746  -5.421  -5.421
  536    HA   MET   1           HA       MET  75 -13.280  -3.683  -3.683
  537   1HB   MET   1          2HB       MET  75 -13.516  -5.755  -5.755
  538   2HB   MET   1          1HB       MET  75 -12.076  -4.960  -4.960
  539   1HG   MET   1          2HG       MET  75 -14.363  -3.201  -3.201
  540   2HG   MET   1          1HG       MET  75 -14.559  -4.203  -4.203
  541   1HE   MET   1          2HE       MET  75 -14.636  -3.082  -3.082
  542   2HE   MET   1          1HE       MET  75 -13.107  -3.644  -3.644
  543   3HE   MET   1          3HE       MET  75 -13.520  -1.925  -1.925
  544    H    ARG   2           H        ARG  76 -11.250  -3.405  -3.405
  545    HA   ARG   2           HA       ARG  76  -9.222  -1.963  -1.963
  546   1HB   ARG   2          2HB       ARG  76  -8.965  -4.659  -4.659
  547   2HB   ARG   2          1HB       ARG  76  -7.967  -4.408  -4.408
  548   1HG   ARG   2          2HG       ARG  76  -6.344  -3.393  -3.393
  549   2HG   ARG   2          1HG       ARG  76  -7.505  -2.353  -2.353
  550   1HD   ARG   2          2HD       ARG  76  -8.068  -4.227  -4.227
  551   2HD   ARG   2          1HD       ARG  76  -6.838  -5.226  -5.226
  552    HE   ARG   2           HE       ARG  76  -5.143  -3.876  -3.876
  553   1HH1  ARG   2          2HH1      ARG  76  -8.221  -2.338  -2.338
  554   2HH1  ARG   2          1HH1      ARG  76  -7.761  -1.216  -1.216
  555   1HH2  ARG   2          1HH2      ARG  76  -4.567  -2.512  -2.512
  556   2HH2  ARG   2          2HH2      ARG  76  -5.695  -1.315  -1.315
  557    H    TYR   3           H        TYR  77  -7.037  -2.421  -2.421
  558    HA   TYR   3           HA       TYR  77  -7.951  -1.958  -1.958
  559   1HB   TYR   3          2HB       TYR  77  -5.543  -0.488  -0.488
  560   2HB   TYR   3          1HB       TYR  77  -7.074   0.149   0.149
  561    HD1  TYR   3           HD2      TYR  77  -8.910   0.672   0.672
  562    HD2  TYR   3           HD1      TYR  77  -4.887  -0.282  -0.282
  563    HE1  TYR   3           HE2      TYR  77  -9.335   1.628   1.628
  564    HE2  TYR   3           HE1      TYR  77  -5.310   0.674   0.674
  565    HH   TYR   3           HH       TYR  77  -8.534   1.922   1.922
  566    H    TYR   4           H        TYR  78  -7.189  -4.467  -4.467
  567    HA   TYR   4           HA       TYR  78  -4.344  -4.896  -4.896
  568   1HB   TYR   4          2HB       TYR  78  -6.233  -6.881  -6.881
  569   2HB   TYR   4          1HB       TYR  78  -4.903  -7.173  -7.173
  570    HD1  TYR   4           HD2      TYR  78  -5.150  -6.634  -6.634
  571    HD2  TYR   4           HD1      TYR  78  -8.426  -6.486  -6.486
  572    HE1  TYR   4           HE2      TYR  78  -6.745  -6.735  -6.735
  573    HE2  TYR   4           HE1      TYR  78 -10.023  -6.590  -6.590
  574    HH   TYR   4           HH       TYR  78  -9.045  -7.358  -7.358
  575    H    GLU   5           H        GLU  79  -6.588  -5.756  -5.756
  576    HA   GLU   5           HA       GLU  79  -5.026  -4.353  -4.353
  577   1HB   GLU   5          2HB       GLU  79  -4.315  -6.425  -6.425
  578   2HB   GLU   5          1HB       GLU  79  -3.660  -6.357  -6.357
  579   1HG   GLU   5          2HG       GLU  79  -4.589  -8.378  -8.378
  580   2HG   GLU   5          1HG       GLU  79  -6.161  -7.581  -7.581
  581    H    SER   6           H        SER  80  -7.888  -4.882  -4.882
  582    HA   SER   6           HA       SER  80  -9.090  -5.691  -5.691
  583   1HB   SER   6          2HB       SER  80  -9.701  -6.217  -6.217
  584   2HB   SER   6          1HB       SER  80 -11.090  -5.970  -5.970
  585    HG   SER   6           HG       SER  80 -10.511  -8.140  -8.140
  586    H    SER   7           H        SER  81  -8.818  -3.156  -3.156
  587    HA   SER   7           HA       SER  81  -9.869  -1.061  -1.061
  588   1HB   SER   7          2HB       SER  81 -11.985  -2.006  -2.006
  589   2HB   SER   7          1HB       SER  81 -11.928  -2.820  -2.820
  590    HG   SER   7           HG       SER  81 -13.358  -1.029  -1.029
  591    H    LEU   8           H        LEU  82 -11.029   0.669   0.669
  592    HA   LEU   8           HA       LEU  82  -9.305   0.671   0.671
  593   1HB   LEU   8          2HB       LEU  82 -10.768   3.003   3.003
  594   2HB   LEU   8          1HB       LEU  82  -9.346   3.042   3.042
  595    HG   LEU   8           HG       LEU  82  -9.426   1.886   1.886
  596   1HD1  LEU   8          2HD1      LEU  82  -9.236   4.573   4.573
  597   2HD1  LEU   8          1HD1      LEU  82  -7.617   4.092   4.092
  598   3HD1  LEU   8          3HD1      LEU  82  -8.971   3.961   3.961
  599   1HD2  LEU   8          3HD2      LEU  82  -7.195   2.268   2.268
  600   2HD2  LEU   8          2HD2      LEU  82  -7.790   0.738   0.738
  601   3HD2  LEU   8          1HD2      LEU  82  -6.928   1.861   1.861
  602    H    LYS   9           H        LYS  83 -12.552   0.396   0.396
  603    HA   LYS   9           HA       LYS  83 -13.870   1.614   1.614
  604   1HB   LYS   9          2HB       LYS  83 -14.928  -0.520  -0.520
  605   2HB   LYS   9          1HB       LYS  83 -15.841   0.744   0.744
  606   1HG   LYS   9          2HG       LYS  83 -14.399   2.413   2.413
  607   2HG   LYS   9          1HG       LYS  83 -13.925   1.033   1.033
  608   1HD   LYS   9          2HD       LYS  83 -16.084   0.709   0.709
  609   2HD   LYS   9          1HD       LYS  83 -16.836   1.545   1.545
  610   1HE   LYS   9          2HE       LYS  83 -15.671   3.675   3.675
  611   2HE   LYS   9          1HE       LYS  83 -15.374   2.763   2.763
  612   1HZ   LYS   9          1HZ       LYS  83 -18.035   3.008   3.008
  613   2HZ   LYS   9          3HZ       LYS  83 -17.524   3.980   3.980
  614   3HZ   LYS   9          2HZ       LYS  83 -17.694   2.303   2.303
  615    H    SER  10           H        SER  84 -13.851   0.719   0.719
  616    HA   SER  10           HA       SER  84 -12.817  -1.773  -1.773
  617   1HB   SER  10          2HB       SER  84 -14.408   0.376   0.376
  618   2HB   SER  10          1HB       SER  84 -14.994  -1.169  -1.169
  619    HG   SER  10           HG       SER  84 -12.234  -0.720  -0.720
  620    H    TYR  11           H        TYR  85 -13.469  -3.726  -3.726
  621    HA   TYR  11           HA       TYR  85 -16.156  -4.175  -4.175
  622   1HB   TYR  11          2HB       TYR  85 -14.142  -6.323  -6.323
  623   2HB   TYR  11          1HB       TYR  85 -15.255  -6.235  -6.235
  624    HD1  TYR  11           HD2      TYR  85 -14.891  -3.696  -3.696
  625    HD2  TYR  11           HD1      TYR  85 -11.923  -6.181  -6.181
  626    HE1  TYR  11           HE2      TYR  85 -13.122  -2.617  -2.617
  627    HE2  TYR  11           HE1      TYR  85 -10.160  -5.097  -5.097
  628    HH   TYR  11           HH       TYR  85  -9.794  -3.780  -3.780
  629    HA   PRO  12           HA       PRO  86 -17.841  -5.306  -5.306
  630   1HB   PRO  12          2HB       PRO  86 -20.279  -6.138  -6.138
  631   2HB   PRO  12          1HB       PRO  86 -19.839  -4.426  -4.426
  632   1HG   PRO  12          2HG       PRO  86 -19.897  -6.148  -6.148
  633   2HG   PRO  12          1HG       PRO  86 -20.353  -4.448  -4.448
  634   1HD   PRO  12          2HD       PRO  86 -17.987  -5.269  -5.269
  635   2HD   PRO  12          1HD       PRO  86 -18.207  -3.708  -3.708
  636    H    ASP  13           HN       ASP  87 -19.328  -7.412  -7.412
  637    HA   ASP  13           HA       ASP  87 -17.625  -9.703  -9.703
  638   1HB   ASP  13          2HB       ASP  87 -19.299  -9.077  -9.077
  639   2HB   ASP  13          1HB       ASP  87 -20.559  -9.664  -9.664

  Start of MODEL   12
    1   1H    ILE   1          3H        ILE   1   7.401  15.127  15.127
    2   2H    ILE   1          2H        ILE   1   7.531  16.356  16.356
    3   3H    ILE   1          1H        ILE   1   6.644  16.623  16.623
    4    HA   ILE   1           HA       ILE   1   5.061  16.233  16.233
    5    HB   ILE   1           HB       ILE   1   5.335  14.190  14.190
    6   1HG1  ILE   1          2HG1      ILE   1   7.953  13.920  13.920
    7   2HG1  ILE   1          1HG1      ILE   1   6.562  12.849  12.849
    8   1HG2  ILE   1          1HG2      ILE   1   6.860  16.561  16.561
    9   2HG2  ILE   1          3HG2      ILE   1   7.990  15.256  15.256
   10   3HG2  ILE   1          2HG2      ILE   1   6.541  15.465  15.465
   11   1HD1  ILE   1          2HD1      ILE   1   7.847  13.341  13.341
   12   2HD1  ILE   1          1HD1      ILE   1   8.439  12.087  12.087
   13   3HD1  ILE   1          3HD1      ILE   1   6.786  12.017  12.017
   14    H    VAL   2           H        VAL   2   4.065  13.502  13.502
   15    HA   VAL   2           HA       VAL   2   3.817  12.543  12.543
   16    HB   VAL   2           HB       VAL   2   1.405  13.301  13.301
   17   1HG1  VAL   2          3HG1      VAL   2   1.616  11.755  11.755
   18   2HG1  VAL   2          2HG1      VAL   2   1.347  13.346  13.346
   19   3HG1  VAL   2          1HG1      VAL   2   0.180  12.681  12.681
   20   1HG2  VAL   2          2HG2      VAL   2   2.874  14.949  14.949
   21   2HG2  VAL   2          1HG2      VAL   2   2.704  15.343  15.343
   22   3HG2  VAL   2          3HG2      VAL   2   1.289  15.351  15.351
   23    H    CYS   3           H        CYS   3   2.794  10.423  10.423
   24    HA   CYS   3           HA       CYS   3   2.400   9.075   9.075
   25   1HB   CYS   3          2HB       CYS   3   3.923   7.837   7.837
   26   2HB   CYS   3          1HB       CYS   3   3.932   7.399   7.399
   27    H    HIS   4           H        HIS   4   1.137   7.030   7.030
   28    HA   HIS   4           HA       HIS   4  -0.843   7.244   7.244
   29   1HB   HIS   4          2HB       HIS   4  -0.633   5.445   5.445
   30   2HB   HIS   4          1HB       HIS   4  -2.020   5.550   5.550
   31    HD1  HIS   4           HD1      HIS   4  -2.911   8.200   8.200
   32    HD2  HIS   4           HD2      HIS   4  -0.933   7.132   7.132
   33    HE1  HIS   4           HE1      HIS   4  -3.522   9.946   9.946
   34    H    THR   5           H        THR   5  -1.371   5.376   5.376
   35    HA   THR   5           HA       THR   5   0.762   3.280   3.280
   36    HB   THR   5           HB       THR   5   1.311   3.807   3.807
   37    HG1  THR   5           HG1      THR   5  -0.700   3.367   3.367
   38   1HG2  THR   5          3HG2      THR   5   1.517   5.940   5.940
   39   2HG2  THR   5          2HG2      THR   5   0.030   6.473   6.473
   40   3HG2  THR   5          1HG2      THR   5   1.473   6.159   6.159
   41    H    THR   6           H        THR   6  -0.363   1.440   1.440
   42    HA   THR   6           HA       THR   6  -3.155   1.126   1.126
   43    HB   THR   6           HB       THR   6  -2.985  -0.908  -0.908
   44    HG1  THR   6           HG1      THR   6  -0.290  -0.394  -0.394
   45   1HG2  THR   6          2HG2      THR   6  -2.815   1.568   1.568
   46   2HG2  THR   6          1HG2      THR   6  -1.285   0.926   0.926
   47   3HG2  THR   6          3HG2      THR   6  -2.798   0.128   0.128
   48    H    ALA   7           H        ALA   7   0.086   0.533   0.533
   49    HA   ALA   7           HA       ALA   7  -0.505  -1.812  -1.812
   50   1HB   ALA   7          2HB       ALA   7   1.808  -0.281  -0.281
   51   2HB   ALA   7          1HB       ALA   7   2.061  -1.107  -1.107
   52   3HB   ALA   7          3HB       ALA   7   1.578  -2.032  -2.032
   53    H    THR   8           H        THR   8   0.089   1.646   1.646
   54    HA   THR   8           HA       THR   8   0.013   1.202   1.202
   55    HB   THR   8           HB       THR   8   0.473   3.788   3.788
   56    HG1  THR   8           HG1      THR   8   1.627   4.036   4.036
   57   1HG2  THR   8          1HG2      THR   8   2.112   1.470   1.470
   58   2HG2  THR   8          3HG2      THR   8   2.838   2.637   2.637
   59   3HG2  THR   8          2HG2      THR   8   2.537   3.083   3.083
   60    H    SER   9           H        SER   9  -1.154   4.266   4.266
   61    HA   SER   9           HA       SER   9  -3.797   3.748   3.748
   62   1HB   SER   9          2HB       SER   9  -4.178   6.072   6.072
   63   2HB   SER   9          1HB       SER   9  -2.738   5.955   5.955
   64    HG   SER   9           HG       SER   9  -2.881   6.789   6.789
   65    HA   PRO  10           HA       PRO  10  -5.773   2.242   2.242
   66   1HB   PRO  10          2HB       PRO  10  -8.000   3.808   3.808
   67   2HB   PRO  10          1HB       PRO  10  -7.857   2.523   2.523
   68   1HG   PRO  10          2HG       PRO  10  -7.508   5.471   5.471
   69   2HG   PRO  10          1HG       PRO  10  -8.315   4.316   4.316
   70   1HD   PRO  10          2HD       PRO  10  -5.828   5.239   5.239
   71   2HD   PRO  10          1HD       PRO  10  -6.326   3.586   3.586
   72    H    ILE  11           H        ILE  11  -5.664   2.529   2.529
   73    HA   ILE  11           HA       ILE  11  -4.014   3.999   3.999
   74    HB   ILE  11           HB       ILE  11  -6.464   2.712   2.712
   75   1HG1  ILE  11          2HG1      ILE  11  -3.935   3.494   3.494
   76   2HG1  ILE  11          1HG1      ILE  11  -4.635   1.893   1.893
   77   1HG2  ILE  11          1HG2      ILE  11  -6.191   5.350   5.350
   78   2HG2  ILE  11          3HG2      ILE  11  -7.261   4.036   4.036
   79   3HG2  ILE  11          2HG2      ILE  11  -7.531   4.869   4.869
   80   1HD1  ILE  11          1HD1      ILE  11  -6.469   2.869   2.869
   81   2HD1  ILE  11          3HD1      ILE  11  -5.097   3.859   3.859
   82   3HD1  ILE  11          2HD1      ILE  11  -4.989   2.099   2.099
   83    H    SER  12           H        SER  12  -3.370   5.954   5.954
   84    HA   SER  12           HA       SER  12  -5.033   8.268   8.268
   85   1HB   SER  12          2HB       SER  12  -4.502   9.176   9.176
   86   2HB   SER  12          1HB       SER  12  -5.820   8.019   8.019
   87    HG   SER  12           HG       SER  12  -3.178   7.153   7.153
   88    H    ALA  13           H        ALA  13  -3.623  10.016  10.016
   89    HA   ALA  13           HA       ALA  13  -0.784   9.251   9.251
   90   1HB   ALA  13          3HB       ALA  13  -2.660  11.044  11.044
   91   2HB   ALA  13          2HB       ALA  13  -1.070  11.768  11.768
   92   3HB   ALA  13          1HB       ALA  13  -1.216  10.251  10.251
   93    H    VAL  14           H        VAL  14   0.270   9.619   9.619
   94    HA   VAL  14           HA       VAL  14  -0.087  12.339  12.339
   95    HB   VAL  14           HB       VAL  14   0.241  11.388  11.388
   96   1HG1  VAL  14          3HG1      VAL  14  -1.777  10.460  10.460
   97   2HG1  VAL  14          2HG1      VAL  14  -0.866   8.951   8.951
   98   3HG1  VAL  14          1HG1      VAL  14  -1.330   9.661   9.661
   99   1HG2  VAL  14          1HG2      VAL  14   2.387  10.289  10.289
  100   2HG2  VAL  14          3HG2      VAL  14   1.355   9.229   9.229
  101   3HG2  VAL  14          2HG2      VAL  14   1.493   8.977   8.977
  102    H    THR  15           H        THR  15   1.747  13.513  13.513
  103    HA   THR  15           HA       THR  15   3.993  13.242  13.242
  104    HB   THR  15           HB       THR  15   4.058  14.379  14.379
  105    HG1  THR  15           HG1      THR  15   3.123  15.819  15.819
  106   1HG2  THR  15          2HG2      THR  15   5.613  14.614  14.614
  107   2HG2  THR  15          1HG2      THR  15   5.172  16.172  16.172
  108   3HG2  THR  15          3HG2      THR  15   6.078  14.999  14.999
  109    H    CYS  16           H        CYS  16   6.260  12.642  12.642
  110    HA   CYS  16           HA       CYS  16   6.238  10.294  10.294
  111   1HB   CYS  16          2HB       CYS  16   8.182  10.972  10.972
  112   2HB   CYS  16          1HB       CYS  16   7.919   9.411   9.411
  113    HA   PRO  17           HA       PRO  17   9.224  12.210  12.210
  114   1HB   PRO  17          2HB       PRO  17  10.853  10.099  10.099
  115   2HB   PRO  17          1HB       PRO  17   9.211  10.280  10.280
  116   1HG   PRO  17          2HG       PRO  17  10.192   8.568   8.568
  117   2HG   PRO  17          1HG       PRO  17   8.977   8.222   8.222
  118   1HD   PRO  17          2HD       PRO  17   8.358   8.916   8.916
  119   2HD   PRO  17          1HD       PRO  17   7.299   9.239   9.239
  120    HA   PRO  18           HA       PRO  18  12.910  13.224  13.224
  121   1HB   PRO  18          2HB       PRO  18  14.887  13.145  13.145
  122   2HB   PRO  18          1HB       PRO  18  13.657  14.423  14.423
  123   1HG   PRO  18          2HG       PRO  18  13.779  12.005  12.005
  124   2HG   PRO  18          1HG       PRO  18  13.284  13.658  13.658
  125   1HD   PRO  18          2HD       PRO  18  11.505  11.665  11.665
  126   2HD   PRO  18          1HD       PRO  18  11.160  13.367  13.367
  127    H    GLY  19           H        GLY  19  13.571  11.705  11.705
  128   1HA   GLY  19          2HA       GLY  19  15.757  10.116  10.116
  129   2HA   GLY  19          1HA       GLY  19  14.579   9.082   9.082
  130    H    GLU  20           H        GLU  20  12.347   9.099   9.099
  131    HA   GLU  20           HA       GLU  20  12.861   7.898   7.898
  132   1HB   GLU  20          2HB       GLU  20  10.431   8.838   8.838
  133   2HB   GLU  20          1HB       GLU  20  10.297   8.018   8.018
  134   1HG   GLU  20          2HG       GLU  20  10.175   6.208   6.208
  135   2HG   GLU  20          1HG       GLU  20  11.908   6.261   6.261
  136    H    ASN  21           H        ASN  21  13.535   9.189   9.189
  137    HA   ASN  21           HA       ASN  21  12.767  12.000  12.000
  138   1HB   ASN  21          2HB       ASN  21  14.107  10.219  10.219
  139   2HB   ASN  21          1HB       ASN  21  14.278  11.963  11.963
  140   1HD2  ASN  21          2HD2      ASN  21  15.918  10.916  10.916
  141   2HD2  ASN  21          1HD2      ASN  21  14.305  11.366  11.366
  142    H    LEU  22           H        LEU  22  11.393   9.010   9.010
  143    HA   LEU  22           HA       LEU  22   9.378  10.499  10.499
  144   1HB   LEU  22          2HB       LEU  22   9.706   9.048   9.048
  145   2HB   LEU  22          1HB       LEU  22  11.270   9.731   9.731
  146    HG   LEU  22           HG       LEU  22  10.954   7.362   7.362
  147   1HD1  LEU  22          3HD1      LEU  22   9.306   7.092   7.092
  148   2HD1  LEU  22          2HD1      LEU  22  10.826   6.494   6.494
  149   3HD1  LEU  22          1HD1      LEU  22  10.134   5.741   5.741
  150   1HD2  LEU  22          2HD2      LEU  22  12.660   8.321   8.321
  151   2HD2  LEU  22          1HD2      LEU  22  13.124   7.985   7.985
  152   3HD2  LEU  22          3HD2      LEU  22  12.812   6.653   6.653
  153    H    CYS  23           H        CYS  23   7.754   8.663   8.663
  154    HA   CYS  23           HA       CYS  23   6.955   7.105   7.105
  155   1HB   CYS  23          2HB       CYS  23   5.504   7.730   7.730
  156   2HB   CYS  23          1HB       CYS  23   4.779   7.171   7.171
  157    H    TYR  24           H        TYR  24   5.744   4.966   4.966
  158    HA   TYR  24           HA       TYR  24   6.976   3.712   3.712
  159   1HB   TYR  24          2HB       TYR  24   8.130   2.035   2.035
  160   2HB   TYR  24          1HB       TYR  24   8.557   3.573   3.573
  161    HD1  TYR  24           HD2      TYR  24   6.335   0.619   0.619
  162    HD2  TYR  24           HD1      TYR  24   7.912   4.077   4.077
  163    HE1  TYR  24           HE2      TYR  24   5.397  -0.180  -0.180
  164    HE2  TYR  24           HE1      TYR  24   6.970   3.294   3.294
  165    HH   TYR  24           HH       TYR  24   4.771   1.529   1.529
  166    H    ARG  25           H        ARG  25   5.722   2.084   2.084
  167    HA   ARG  25           HA       ARG  25   3.234   1.444   1.444
  168   1HB   ARG  25          2HB       ARG  25   3.975   0.972   0.972
  169   2HB   ARG  25          1HB       ARG  25   2.365   0.825   0.825
  170   1HG   ARG  25          2HG       ARG  25   2.044   2.998   2.998
  171   2HG   ARG  25          1HG       ARG  25   3.230   3.393   3.393
  172   1HD   ARG  25          2HD       ARG  25   4.925   3.746   3.746
  173   2HD   ARG  25          1HD       ARG  25   4.272   2.559   2.559
  174    HE   ARG  25           HE       ARG  25   3.197   5.317   5.317
  175   1HH1  ARG  25          1HH2      ARG  25   1.057   3.444   3.444
  176   2HH1  ARG  25          2HH2      ARG  25   1.150   3.495   3.495
  177   1HH2  ARG  25          1HH1      ARG  25   2.997   4.321   4.321
  178   2HH2  ARG  25          2HH1      ARG  25   4.319   4.903   4.903
  179    H    LYS  26           H        LYS  26   3.320  -0.575  -0.575
  180    HA   LYS  26           HA       LYS  26   5.209  -2.598  -2.598
  181   1HB   LYS  26          2HB       LYS  26   4.884  -1.408  -1.408
  182   2HB   LYS  26          1HB       LYS  26   4.414  -3.086  -3.086
  183   1HG   LYS  26          2HG       LYS  26   6.531  -3.851  -3.851
  184   2HG   LYS  26          1HG       LYS  26   6.860  -2.619  -2.619
  185   1HD   LYS  26          2HD       LYS  26   8.241  -2.379  -2.379
  186   2HD   LYS  26          1HD       LYS  26   7.278  -0.956  -0.956
  187   1HE   LYS  26          2HE       LYS  26   6.682  -1.154  -1.154
  188   2HE   LYS  26          1HE       LYS  26   5.507  -2.308  -2.308
  189   1HZ   LYS  26          1HZ       LYS  26   7.511  -3.928  -3.928
  190   2HZ   LYS  26          3HZ       LYS  26   8.105  -2.837  -2.837
  191   3HZ   LYS  26          2HZ       LYS  26   6.611  -3.606  -3.606
  192    H    MET  27           H        MET  27   4.568  -4.873  -4.873
  193    HA   MET  27           HA       MET  27   1.742  -5.465  -5.465
  194   1HB   MET  27          2HB       MET  27   3.046  -5.239  -5.239
  195   2HB   MET  27          1HB       MET  27   2.084  -6.690  -6.690
  196   1HG   MET  27          2HG       MET  27   0.167  -5.526  -5.526
  197   2HG   MET  27          1HG       MET  27   0.688  -4.379  -4.379
  198   1HE   MET  27          1HE       MET  27  -0.253  -5.225  -5.225
  199   2HE   MET  27          3HE       MET  27  -0.873  -3.575  -3.575
  200   3HE   MET  27          2HE       MET  27   0.396  -4.145  -4.145
  201    H    TRP  28           H        TRP  28   1.432  -7.654  -7.654
  202    HA   TRP  28           HA       TRP  28   3.696  -9.510  -9.510
  203   1HB   TRP  28          2HB       TRP  28   3.195  -9.960  -9.960
  204   2HB   TRP  28          1HB       TRP  28   4.465  -8.909  -8.909
  205    HD1  TRP  28           HD1      TRP  28   0.945  -8.846  -8.846
  206    HE1  TRP  28           HE1      TRP  28   0.575  -6.553  -6.553
  207    HE3  TRP  28           HE3      TRP  28   5.160  -6.451  -6.451
  208    HZ2  TRP  28           HZ2      TRP  28   1.895  -4.056  -4.056
  209    HZ3  TRP  28           HZ3      TRP  28   5.601  -4.122  -4.122
  210    HH2  TRP  28           HH2      TRP  28   3.977  -2.913  -2.913
  211    H    CYS  29           H        CYS  29   0.824  -9.208  -9.208
  212    HA   CYS  29           HA       CYS  29  -1.013 -10.922 -10.922
  213   1HB   CYS  29          2HB       CYS  29   1.324 -12.252 -12.252
  214   2HB   CYS  29          1HB       CYS  29   0.009 -12.660 -12.660
  215    H    ASP  30           H        ASP  30  -1.692 -12.316 -12.316
  216    HA   ASP  30           HA       ASP  30  -1.816 -10.199 -10.199
  217   1HB   ASP  30          2HB       ASP  30  -3.501  -9.649  -9.649
  218   2HB   ASP  30          1HB       ASP  30  -4.408 -11.063 -11.063
  219    H    ALA  31           H        ALA  31  -4.609 -11.720 -11.720
  220    HA   ALA  31           HA       ALA  31  -3.893 -13.255 -13.255
  221   1HB   ALA  31          1HB       ALA  31  -6.108 -12.979 -12.979
  222   2HB   ALA  31          3HB       ALA  31  -5.896 -14.694 -14.694
  223   3HB   ALA  31          2HB       ALA  31  -6.128 -13.546 -13.546
  224    H    PHE  32           H        PHE  32  -4.719 -14.988 -14.988
  225    HA   PHE  32           HA       PHE  32  -2.231 -16.618 -16.618
  226   1HB   PHE  32          2HB       PHE  32  -5.122 -17.501 -17.501
  227   2HB   PHE  32          1HB       PHE  32  -3.831 -18.612 -18.612
  228    HD1  PHE  32           HD1      PHE  32  -4.944 -16.306 -16.306
  229    HD2  PHE  32           HD2      PHE  32  -2.511 -19.679 -19.679
  230    HE1  PHE  32           HE1      PHE  32  -4.432 -16.699 -16.699
  231    HE2  PHE  32           HE2      PHE  32  -1.999 -20.072 -20.072
  232    HZ   PHE  32           HZ       PHE  32  -2.960 -18.582 -18.582
  233    H    CYS  33           H        CYS  33  -2.963 -14.538 -14.538
  234    HA   CYS  33           HA       CYS  33  -2.975 -14.187 -14.187
  235   1HB   CYS  33          2HB       CYS  33  -1.968 -17.040 -17.040
  236   2HB   CYS  33          1HB       CYS  33  -1.921 -16.105 -16.105
  237    H    SER  34           H        SER  34  -5.058 -13.973 -13.973
  238    HA   SER  34           HA       SER  34  -6.588 -16.510 -16.510
  239   1HB   SER  34          2HB       SER  34  -7.155 -14.230 -14.230
  240   2HB   SER  34          1HB       SER  34  -8.365 -14.333 -14.333
  241    HG   SER  34           HG       SER  34  -8.630 -16.550 -16.550
  242    H    SER  35           H        SER  35  -8.758 -15.286 -15.286
  243    HA   SER  35           HA       SER  35  -7.708 -14.904 -14.904
  244   1HB   SER  35          2HB       SER  35 -10.471 -14.267 -14.267
  245   2HB   SER  35          1HB       SER  35 -10.039 -14.754 -14.754
  246    HG   SER  35           HG       SER  35 -10.742 -16.580 -16.580
  247    H    ARG  36           H        ARG  36  -7.822 -12.806 -12.806
  248    HA   ARG  36           HA       ARG  36  -8.504 -10.362 -10.362
  249   1HB   ARG  36          2HB       ARG  36  -7.725 -11.120 -11.120
  250   2HB   ARG  36          1HB       ARG  36  -7.698  -9.425  -9.425
  251   1HG   ARG  36          2HG       ARG  36 -10.013  -9.384  -9.384
  252   2HG   ARG  36          1HG       ARG  36 -10.115 -11.142 -11.142
  253   1HD   ARG  36          2HD       ARG  36  -9.305  -9.767  -9.767
  254   2HD   ARG  36          1HD       ARG  36 -11.008 -10.066 -10.066
  255    HE   ARG  36           HE       ARG  36  -9.094 -12.339 -12.339
  256   1HH1  ARG  36          2HH1      ARG  36 -11.561 -13.479 -13.479
  257   2HH1  ARG  36          1HH1      ARG  36 -12.190 -13.674 -13.674
  258   1HH2  ARG  36          1HH2      ARG  36  -9.988 -11.405 -11.405
  259   2HH2  ARG  36          2HH2      ARG  36 -11.299 -12.499 -12.499
  260    H    GLY  37           H        GLY  37  -6.115 -12.045 -12.045
  261   1HA   GLY  37          2HA       GLY  37  -3.815 -11.774 -11.774
  262   2HA   GLY  37          1HA       GLY  37  -4.284 -10.099 -10.099
  263    H    LYS  38           H        LYS  38  -2.233  -9.392  -9.392
  264    HA   LYS  38           HA       LYS  38  -1.811  -9.942  -9.942
  265   1HB   LYS  38          2HB       LYS  38  -0.314  -8.388  -8.388
  266   2HB   LYS  38          1HB       LYS  38   0.244  -8.537  -8.537
  267   1HG   LYS  38          2HG       LYS  38   1.344 -10.357 -10.357
  268   2HG   LYS  38          1HG       LYS  38  -0.210 -11.143 -11.143
  269   1HD   LYS  38          2HD       LYS  38  -0.764 -11.162 -11.162
  270   2HD   LYS  38          1HD       LYS  38   0.172  -9.709  -9.709
  271   1HE   LYS  38          2HE       LYS  38   1.954 -10.958 -10.958
  272   2HE   LYS  38          1HE       LYS  38   1.923 -11.839 -11.839
  273   1HZ   LYS  38          3HZ       LYS  38   0.115 -12.349 -12.349
  274   2HZ   LYS  38          2HZ       LYS  38   1.450 -13.310 -13.310
  275   3HZ   LYS  38          1HZ       LYS  38   0.116 -13.195 -13.195
  276    H    VAL  39           H        VAL  39  -1.542  -8.025  -8.025
  277    HA   VAL  39           HA       VAL  39  -3.715  -6.128  -6.128
  278    HB   VAL  39           HB       VAL  39  -1.304  -5.926  -5.926
  279   1HG1  VAL  39          2HG1      VAL  39  -4.009  -4.726  -4.726
  280   2HG1  VAL  39          1HG1      VAL  39  -3.495  -5.244  -5.244
  281   3HG1  VAL  39          3HG1      VAL  39  -2.527  -4.079  -4.079
  282   1HG2  VAL  39          3HG2      VAL  39  -2.676  -8.226  -8.226
  283   2HG2  VAL  39          2HG2      VAL  39  -2.129  -7.555  -7.555
  284   3HG2  VAL  39          1HG2      VAL  39  -3.795  -7.315  -7.315
  285    H    VAL  40           H        VAL  40  -2.756  -3.652  -3.652
  286    HA   VAL  40           HA       VAL  40  -0.557  -3.110  -3.110
  287    HB   VAL  40           HB       VAL  40  -3.318  -1.843  -1.843
  288   1HG1  VAL  40          2HG1      VAL  40  -0.734  -0.752  -0.752
  289   2HG1  VAL  40          1HG1      VAL  40  -1.713  -0.849  -0.849
  290   3HG1  VAL  40          3HG1      VAL  40  -2.308   0.044   0.044
  291   1HG2  VAL  40          1HG2      VAL  40  -1.932  -3.808  -3.808
  292   2HG2  VAL  40          3HG2      VAL  40  -3.658  -3.461  -3.461
  293   3HG2  VAL  40          2HG2      VAL  40  -2.637  -2.465  -2.465
  294    H    GLU  41           H        GLU  41   0.640  -2.793  -2.793
  295    HA   GLU  41           HA       GLU  41  -0.326  -0.609  -0.609
  296   1HB   GLU  41          2HB       GLU  41   1.695  -2.787  -2.787
  297   2HB   GLU  41          1HB       GLU  41   0.906  -1.789  -1.789
  298   1HG   GLU  41          2HG       GLU  41  -1.286  -2.762  -2.762
  299   2HG   GLU  41          1HG       GLU  41  -0.194  -4.072  -4.072
  300    H    LEU  42           H        LEU  42   0.525   1.221   1.221
  301    HA   LEU  42           HA       LEU  42   3.386   1.297   1.297
  302   1HB   LEU  42          2HB       LEU  42   1.659   3.719   3.719
  303   2HB   LEU  42          1HB       LEU  42   2.751   3.082   3.082
  304    HG   LEU  42           HG       LEU  42   0.846   1.143   1.143
  305   1HD1  LEU  42          2HD1      LEU  42  -0.331   2.910   2.910
  306   2HD1  LEU  42          1HD1      LEU  42  -0.877   3.567   3.567
  307   3HD1  LEU  42          3HD1      LEU  42  -1.252   1.898   1.898
  308   1HD2  LEU  42          1HD2      LEU  42   1.468   3.552   3.552
  309   2HD2  LEU  42          3HD2      LEU  42   1.167   1.904   1.904
  310   3HD2  LEU  42          2HD2      LEU  42  -0.186   2.978   2.978
  311    H    GLY  43           H        GLY  43   3.953   3.944   3.944
  312   1HA   GLY  43          2HA       GLY  43   3.301   5.103   5.103
  313   2HA   GLY  43          1HA       GLY  43   4.331   3.778   3.778
  314    H    CYS  44           H        CYS  44   6.188   4.950   4.950
  315    HA   CYS  44           HA       CYS  44   7.387   6.759   6.759
  316   1HB   CYS  44          2HB       CYS  44   7.862   6.746   6.746
  317   2HB   CYS  44          1HB       CYS  44   8.210   8.028   8.028
  318    H    ALA  45           H        ALA  45   9.774   6.773   6.773
  319    HA   ALA  45           HA       ALA  45  11.298   4.762   4.762
  320   1HB   ALA  45          3HB       ALA  45   9.811   3.833   3.833
  321   2HB   ALA  45          2HB       ALA  45  11.330   4.222   4.222
  322   3HB   ALA  45          1HB       ALA  45  11.313   3.085   3.085
  323    H    ALA  46           H        ALA  46  13.565   5.034   5.034
  324    HA   ALA  46           HA       ALA  46  14.375   7.657   7.657
  325   1HB   ALA  46          3HB       ALA  46  15.734   5.122   5.122
  326   2HB   ALA  46          2HB       ALA  46  16.679   6.509   6.509
  327   3HB   ALA  46          1HB       ALA  46  15.605   6.664   6.664
  328    H    THR  47           H        THR  47  14.244   4.471   4.471
  329    HA   THR  47           HA       THR  47  14.739   5.599   5.599
  330    HB   THR  47           HB       THR  47  16.771   3.867   3.867
  331    HG1  THR  47           HG1      THR  47  16.924   3.096   3.096
  332   1HG2  THR  47          3HG2      THR  47  16.505   6.619   6.619
  333   2HG2  THR  47          2HG2      THR  47  17.660   6.264   6.264
  334   3HG2  THR  47          1HG2      THR  47  17.996   5.753   5.753
  335    H    CYS  48           H        CYS  48  13.931   4.195   4.195
  336    HA   CYS  48           HA       CYS  48  12.052   2.244   2.244
  337   1HB   CYS  48          2HB       CYS  48  14.172   2.207   2.207
  338   2HB   CYS  48          1HB       CYS  48  12.585   1.444   1.444
  339    HA   PRO  49           HA       PRO  49  14.866  -0.728  -0.728
  340   1HB   PRO  49          2HB       PRO  49  12.933  -1.931  -1.931
  341   2HB   PRO  49          1HB       PRO  49  13.735  -0.423  -0.423
  342   1HG   PRO  49          2HG       PRO  49  11.042  -0.842  -0.842
  343   2HG   PRO  49          1HG       PRO  49  11.588   0.355   0.355
  344   1HD   PRO  49          2HD       PRO  49  11.168   0.860   0.860
  345   2HD   PRO  49          1HD       PRO  49  12.186   1.842   1.842
  346    H    SER  50           H        SER  50  15.364  -2.490  -2.490
  347    HA   SER  50           HA       SER  50  13.115  -4.235  -4.235
  348   1HB   SER  50          2HB       SER  50  15.464  -3.138  -3.138
  349   2HB   SER  50          1HB       SER  50  14.382  -4.392  -4.392
  350    HG   SER  50           HG       SER  50  13.233  -2.075  -2.075
  351    H    LYS  51           H        LYS  51  13.500  -6.191  -6.191
  352    HA   LYS  51           HA       LYS  51  15.989  -7.619  -7.619
  353   1HB   LYS  51          2HB       LYS  51  16.536  -7.716  -7.716
  354   2HB   LYS  51          1HB       LYS  51  16.780  -6.136  -6.136
  355   1HG   LYS  51          2HG       LYS  51  14.090  -6.148  -6.148
  356   2HG   LYS  51          1HG       LYS  51  14.967  -6.885  -6.885
  357   1HD   LYS  51          2HD       LYS  51  15.815  -4.292  -4.292
  358   2HD   LYS  51          1HD       LYS  51  14.794  -4.363  -4.363
  359   1HE   LYS  51          2HE       LYS  51  16.529  -5.417  -5.417
  360   2HE   LYS  51          1HE       LYS  51  17.518  -5.694  -5.694
  361   1HZ   LYS  51          1HZ       LYS  51  16.608  -2.967  -2.967
  362   2HZ   LYS  51          3HZ       LYS  51  17.891  -3.580  -3.580
  363   3HZ   LYS  51          2HZ       LYS  51  18.029  -3.493  -3.493
  364    H    LYS  52           H        LYS  52  13.467  -8.421  -8.421
  365    HA   LYS  52           HA       LYS  52  13.140 -10.878 -10.878
  366   1HB   LYS  52          2HB       LYS  52  11.533  -8.441  -8.441
  367   2HB   LYS  52          1HB       LYS  52  10.645  -9.964  -9.964
  368   1HG   LYS  52          2HG       LYS  52  12.782 -10.741 -10.741
  369   2HG   LYS  52          1HG       LYS  52  12.670  -9.050  -9.050
  370   1HD   LYS  52          2HD       LYS  52  10.239  -9.404  -9.404
  371   2HD   LYS  52          1HD       LYS  52  10.457 -11.117 -11.117
  372   1HE   LYS  52          2HE       LYS  52  12.218 -11.213 -11.213
  373   2HE   LYS  52          1HE       LYS  52  11.802  -9.540  -9.540
  374   1HZ   LYS  52          3HZ       LYS  52   9.444 -10.304 -10.304
  375   2HZ   LYS  52          2HZ       LYS  52  10.004 -11.902 -11.902
  376   3HZ   LYS  52          1HZ       LYS  52  10.454 -10.950 -10.950
  377    HA   PRO  53           HA       PRO  53  11.706 -11.163 -11.163
  378   1HB   PRO  53          2HB       PRO  53  12.109 -13.868 -13.868
  379   2HB   PRO  53          1HB       PRO  53  13.390 -12.664 -12.664
  380   1HG   PRO  53          2HG       PRO  53  12.740 -14.236 -14.236
  381   2HG   PRO  53          1HG       PRO  53  14.318 -13.900 -13.900
  382   1HD   PRO  53          2HD       PRO  53  13.452 -12.512 -12.512
  383   2HD   PRO  53          1HD       PRO  53  14.401 -11.741 -11.741
  384    H    TYR  54           H        TYR  54  10.329 -12.133 -12.133
  385    HA   TYR  54           HA       TYR  54   8.004 -13.393 -13.393
  386   1HB   TYR  54          2HB       TYR  54   7.674 -13.980 -13.980
  387   2HB   TYR  54          1HB       TYR  54   8.449 -15.047 -15.047
  388    HD1  TYR  54           HD2      TYR  54  11.006 -14.628 -14.628
  389    HD2  TYR  54           HD1      TYR  54   8.861 -13.305 -13.305
  390    HE1  TYR  54           HE2      TYR  54  13.136 -14.446 -14.446
  391    HE2  TYR  54           HE1      TYR  54  10.996 -13.135 -13.135
  392    HH   TYR  54           HH       TYR  54  14.050 -13.303 -13.303
  393    H    GLU  55           H        GLU  55   9.029 -10.549 -10.549
  394    HA   GLU  55           HA       GLU  55   6.301  -9.836  -9.836
  395   1HB   GLU  55          2HB       GLU  55   9.120  -8.886  -8.886
  396   2HB   GLU  55          1HB       GLU  55   7.740  -7.880  -7.880
  397   1HG   GLU  55          2HG       GLU  55   7.195 -10.539 -10.539
  398   2HG   GLU  55          1HG       GLU  55   8.819 -10.111 -10.111
  399    H    GLU  56           H        GLU  56   6.646  -7.016  -7.016
  400    HA   GLU  56           HA       GLU  56   7.353  -6.395  -6.395
  401   1HB   GLU  56          2HB       GLU  56   4.915  -7.572  -7.572
  402   2HB   GLU  56          1HB       GLU  56   4.498  -5.861  -5.861
  403   1HG   GLU  56          2HG       GLU  56   4.437  -5.905  -5.905
  404   2HG   GLU  56          1HG       GLU  56   6.199  -5.975  -5.975
  405    H    VAL  57           H        VAL  57   8.577  -4.675  -4.675
  406    HA   VAL  57           HA       VAL  57   7.022  -2.635  -2.635
  407    HB   VAL  57           HB       VAL  57  10.004  -3.017  -3.017
  408   1HG1  VAL  57          2HG1      VAL  57   8.435  -0.865  -0.865
  409   2HG1  VAL  57          1HG1      VAL  57   9.475  -1.581  -1.581
  410   3HG1  VAL  57          3HG1      VAL  57  10.177  -0.949  -0.949
  411   1HG2  VAL  57          2HG2      VAL  57   8.054  -4.133  -4.133
  412   2HG2  VAL  57          1HG2      VAL  57   9.591  -4.795  -4.795
  413   3HG2  VAL  57          3HG2      VAL  57   9.567  -3.544  -3.544
  414    H    THR  58           H        THR  58   7.121  -0.400  -0.400
  415    HA   THR  58           HA       THR  58   8.290   0.130   0.130
  416    HB   THR  58           HB       THR  58   5.599   1.240   1.240
  417    HG1  THR  58           HG1      THR  58   4.829  -1.028  -1.028
  418   1HG2  THR  58          2HG2      THR  58   7.279   0.043   0.043
  419   2HG2  THR  58          1HG2      THR  58   5.552  -0.276  -0.276
  420   3HG2  THR  58          3HG2      THR  58   6.139   1.385   1.385
  421    H    CYS  59           H        CYS  59   7.650   2.670   2.670
  422    HA   CYS  59           HA       CYS  59   8.067   4.152   4.152
  423   1HB   CYS  59          2HB       CYS  59   9.697   4.060   4.060
  424   2HB   CYS  59          1HB       CYS  59   9.530   5.615   5.615
  425    H    CYS  60           H        CYS  60   7.895   6.548   6.548
  426    HA   CYS  60           HA       CYS  60   6.464   7.501   7.501
  427   1HB   CYS  60          2HB       CYS  60   4.308   7.069   7.069
  428   2HB   CYS  60          1HB       CYS  60   4.924   6.059   6.059
  429    H    SER  61           H        SER  61   7.230   9.575   9.575
  430    HA   SER  61           HA       SER  61   7.906  10.930  10.930
  431   1HB   SER  61          2HB       SER  61   9.475  12.201  12.201
  432   2HB   SER  61          1HB       SER  61   9.738  10.462  10.462
  433    HG   SER  61           HG       SER  61   9.168  10.511  10.511
  434    H    THR  62           H        THR  62   5.528  11.071  11.071
  435    HA   THR  62           HA       THR  62   5.305  13.986  13.986
  436    HB   THR  62           HB       THR  62   2.926  12.393  12.393
  437    HG1  THR  62           HG1      THR  62   3.859  10.857  10.857
  438   1HG2  THR  62          1HG2      THR  62   4.648  14.500  14.500
  439   2HG2  THR  62          3HG2      THR  62   3.898  13.427  13.427
  440   3HG2  THR  62          2HG2      THR  62   2.894  14.329  14.329
  441    H    ASP  63           H        ASP  63   2.942  14.862  14.862
  442    HA   ASP  63           HA       ASP  63   2.678  14.683  14.683
  443   1HB   ASP  63          2HB       ASP  63   1.670  16.196  16.196
  444   2HB   ASP  63          1HB       ASP  63   0.324  15.738  15.738
  445    H    LYS  64           H        LYS  64   1.590  13.114  13.114
  446    HA   LYS  64           HA       LYS  64   0.272  11.166  11.166
  447   1HB   LYS  64          2HB       LYS  64  -1.355  13.002  13.002
  448   2HB   LYS  64          1HB       LYS  64  -1.504  12.961  12.961
  449   1HG   LYS  64          2HG       LYS  64  -1.968  10.322  10.322
  450   2HG   LYS  64          1HG       LYS  64  -2.804  11.284  11.284
  451   1HD   LYS  64          2HD       LYS  64  -3.412  12.583  12.583
  452   2HD   LYS  64          1HD       LYS  64  -3.479  10.873  10.873
  453   1HE   LYS  64          2HE       LYS  64  -4.990  10.465  10.465
  454   2HE   LYS  64          1HE       LYS  64  -4.976  12.206  12.206
  455   1HZ   LYS  64          3HZ       LYS  64  -5.480  11.446  11.446
  456   2HZ   LYS  64          2HZ       LYS  64  -6.720  11.074  11.074
  457   3HZ   LYS  64          1HZ       LYS  64  -6.184  12.678  12.678
  458    H    CYS  65           H        CYS  65   2.084  10.638  10.638
  459    HA   CYS  65           HA       CYS  65   0.635   9.638   9.638
  460   1HB   CYS  65          2HB       CYS  65   3.034   8.991   8.991
  461   2HB   CYS  65          1HB       CYS  65   2.665  10.705  10.705
  462    H    ASN  66           H        ASN  66   0.450   8.439   8.439
  463    HA   ASN  66           HA       ASN  66   1.381   5.676   5.676
  464   1HB   ASN  66          2HB       ASN  66   1.273   7.384   7.384
  465   2HB   ASN  66          1HB       ASN  66   0.483   5.841   5.841
  466   1HD2  ASN  66          2HD2      ASN  66   4.250   5.205   5.205
  467   2HD2  ASN  66          1HD2      ASN  66   3.106   6.011   6.011
  468    HA   PRO  67           HA       PRO  67  -3.356   5.590   5.590
  469   1HB   PRO  67          2HB       PRO  67  -4.477   6.584   6.584
  470   2HB   PRO  67          1HB       PRO  67  -4.132   7.601   7.601
  471   1HG   PRO  67          2HG       PRO  67  -2.707   7.406   7.406
  472   2HG   PRO  67          1HG       PRO  67  -2.871   8.778   8.778
  473   1HD   PRO  67          2HD       PRO  67  -0.631   7.114   7.114
  474   2HD   PRO  67          1HD       PRO  67  -0.950   8.275   8.275
  475    H    HIS  68           H        HIS  68  -2.435   3.340   3.340
  476    HA   HIS  68           HA       HIS  68  -1.855   2.176   2.176
  477   1HB   HIS  68          2HB       HIS  68  -2.851   0.100   0.100
  478   2HB   HIS  68          1HB       HIS  68  -1.807   0.979   0.979
  479    HD1  HIS  68           HD1      HIS  68  -5.011  -0.602  -0.602
  480    HD2  HIS  68           HD2      HIS  68  -3.520   2.846   2.846
  481    HE1  HIS  68           HE1      HIS  68  -6.634   0.001   0.001
  482    HA   PRO  69           HA       PRO  69  -5.490   2.473   2.473
  483   1HB   PRO  69          2HB       PRO  69  -4.995   0.484   0.484
  484   2HB   PRO  69          1HB       PRO  69  -4.100   2.015   2.015
  485   1HG   PRO  69          2HG       PRO  69  -3.248  -0.668  -0.668
  486   2HG   PRO  69          1HG       PRO  69  -2.280   0.710   0.710
  487   1HD   PRO  69          2HD       PRO  69  -2.695  -0.168  -0.168
  488   2HD   PRO  69          1HD       PRO  69  -1.862   1.307   1.307
  489    H    LYS  70           H        LYS  70  -7.103   1.741   1.741
  490    HA   LYS  70           HA       LYS  70  -8.377  -0.736  -0.736
  491   1HB   LYS  70          2HB       LYS  70  -6.378  -0.751  -0.751
  492   2HB   LYS  70          1HB       LYS  70  -7.920  -0.996  -0.996
  493   1HG   LYS  70          2HG       LYS  70  -6.336  -2.895  -2.895
  494   2HG   LYS  70          1HG       LYS  70  -7.818  -3.162  -3.162
  495   1HD   LYS  70          2HD       LYS  70  -7.736  -2.229  -2.229
  496   2HD   LYS  70          1HD       LYS  70  -7.933  -3.904  -3.904
  497   1HE   LYS  70          2HE       LYS  70 -10.133  -3.606  -3.606
  498   2HE   LYS  70          1HE       LYS  70  -9.806  -2.136  -2.136
  499   1HZ   LYS  70          1HZ       LYS  70  -9.324  -1.859  -1.859
  500   2HZ   LYS  70          3HZ       LYS  70 -10.946  -2.181  -2.181
  501   3HZ   LYS  70          2HZ       LYS  70 -10.170  -0.835  -0.835
  502    H    GLN  71           H        GLN  71  -9.115   2.076   2.076
  503    HA   GLN  71           HA       GLN  71 -10.858   2.254   2.254
  504   1HB   GLN  71          2HB       GLN  71  -9.683   3.941   3.941
  505   2HB   GLN  71          1HB       GLN  71 -11.408   4.273   4.273
  506   1HG   GLN  71          2HG       GLN  71 -11.103   5.325   5.325
  507   2HG   GLN  71          1HG       GLN  71 -10.246   3.929   3.929
  508   1HE2  GLN  71          2HE2      GLN  71  -7.106   5.473   5.473
  509   2HE2  GLN  71          1HE2      GLN  71  -8.049   4.228   4.228
  510    H    ARG  72           H        ARG  72 -11.547  -0.006  -0.006
  511    HA   ARG  72           HA       ARG  72 -13.325  -0.960  -0.960
  512   1HB   ARG  72          2HB       ARG  72 -14.104   0.322   0.322
  513   2HB   ARG  72          1HB       ARG  72 -15.216   0.994   0.994
  514   1HG   ARG  72          2HG       ARG  72 -14.715  -1.964  -1.964
  515   2HG   ARG  72          1HG       ARG  72 -16.129  -1.070  -1.070
  516   1HD   ARG  72          2HD       ARG  72 -16.262  -0.383  -0.383
  517   2HD   ARG  72          1HD       ARG  72 -15.413  -1.930  -1.930
  518    HE   ARG  72           HE       ARG  72 -17.264  -2.982  -2.982
  519   1HH1  ARG  72          1HH2      ARG  72 -19.209  -1.980  -1.980
  520   2HH1  ARG  72          2HH2      ARG  72 -20.269  -1.098  -1.098
  521   1HH2  ARG  72          2HH1      ARG  72 -17.976  -0.907  -0.907
  522   2HH2  ARG  72          1HH1      ARG  72 -19.571  -0.491  -0.491
  523    HA   PRO  73           HA       PRO  73 -13.411   2.454   2.454
  524   1HB   PRO  73          2HB       PRO  73 -12.595   0.898   0.898
  525   2HB   PRO  73          1HB       PRO  73 -11.461   1.700   1.700
  526   1HG   PRO  73          2HG       PRO  73 -12.356  -1.136  -1.136
  527   2HG   PRO  73          1HG       PRO  73 -10.758  -0.464  -0.464
  528   1HD   PRO  73          2HD       PRO  73 -12.492  -1.343  -1.343
  529   2HD   PRO  73          1HD       PRO  73 -11.257  -0.097  -0.097
  530    H    GLY  74           HN       GLY  74 -14.826   2.562   2.562
  531   1HA   GLY  74          2HA       GLY  74 -16.738   1.983   1.983
  532   2HA   GLY  74          1HA       GLY  74 -16.573   0.334   0.334
  533   1H    MET   1          1H        MET  75 -12.907  -4.228  -4.228
  534   2H    MET   1          3H        MET  75 -13.754  -5.373  -5.373
  535   3H    MET   1          2H        MET  75 -14.450  -3.856  -3.856
  536    HA   MET   1           HA       MET  75 -13.311  -2.824  -2.824
  537   1HB   MET   1          2HB       MET  75 -12.845  -5.703  -5.703
  538   2HB   MET   1          1HB       MET  75 -13.182  -4.329  -4.329
  539   1HG   MET   1          2HG       MET  75 -15.383  -4.158  -4.158
  540   2HG   MET   1          1HG       MET  75 -15.051  -5.861  -5.861
  541   1HE   MET   1          1HE       MET  75 -17.539  -5.208  -5.208
  542   2HE   MET   1          3HE       MET  75 -17.242  -6.906  -6.906
  543   3HE   MET   1          2HE       MET  75 -17.915  -5.819  -5.819
  544    H    ARG   2           H        ARG  76 -11.472  -3.056  -3.056
  545    HA   ARG   2           HA       ARG  76  -8.935  -2.968  -2.968
  546   1HB   ARG   2          2HB       ARG  76  -9.884  -5.400  -5.400
  547   2HB   ARG   2          1HB       ARG  76  -8.331  -4.867  -4.867
  548   1HG   ARG   2          2HG       ARG  76  -8.956  -5.301  -5.301
  549   2HG   ARG   2          1HG       ARG  76  -7.997  -6.374  -6.374
  550   1HD   ARG   2          2HD       ARG  76  -6.162  -5.135  -5.135
  551   2HD   ARG   2          1HD       ARG  76  -6.939  -3.728  -3.728
  552    HE   ARG   2           HE       ARG  76  -7.409  -2.943  -2.943
  553   1HH1  ARG   2          1HH2      ARG  76  -5.820  -5.855  -5.855
  554   2HH1  ARG   2          2HH2      ARG  76  -6.513  -6.262  -6.262
  555   1HH2  ARG   2          2HH1      ARG  76  -8.823  -3.676  -3.676
  556   2HH2  ARG   2          1HH1      ARG  76  -8.214  -5.028  -5.028
  557    H    TYR   3           H        TYR  77  -7.214  -2.185  -2.185
  558    HA   TYR   3           HA       TYR  77  -8.144  -0.931  -0.931
  559   1HB   TYR   3          2HB       TYR  77  -5.403  -0.344  -0.344
  560   2HB   TYR   3          1HB       TYR  77  -6.748   0.777   0.777
  561    HD1  TYR   3           HD1      TYR  77  -8.358   1.060   1.060
  562    HD2  TYR   3           HD2      TYR  77  -4.608  -1.006  -1.006
  563    HE1  TYR   3           HE1      TYR  77  -8.436   1.313   1.313
  564    HE2  TYR   3           HE2      TYR  77  -4.681  -0.750  -0.750
  565    HH   TYR   3           HH       TYR  77  -6.333  -0.396  -0.396
  566    H    TYR   4           H        TYR  78  -7.991  -3.605  -3.605
  567    HA   TYR   4           HA       TYR  78  -5.474  -4.819  -4.819
  568   1HB   TYR   4          2HB       TYR  78  -8.270  -5.412  -5.412
  569   2HB   TYR   4          1HB       TYR  78  -7.655  -6.040  -6.040
  570    HD1  TYR   4           HD2      TYR  78  -4.995  -6.959  -6.959
  571    HD2  TYR   4           HD1      TYR  78  -8.442  -7.116  -7.116
  572    HE1  TYR   4           HE2      TYR  78  -4.028  -8.910  -8.910
  573    HE2  TYR   4           HE1      TYR  78  -7.478  -9.071  -9.071
  574    HH   TYR   4           HH       TYR  78  -5.155 -10.946 -10.946
  575    H    GLU   5           H        GLU  79  -5.810  -6.109  -6.109
  576    HA   GLU   5           HA       GLU  79  -5.291  -3.983  -3.983
  577   1HB   GLU   5          2HB       GLU  79  -3.600  -5.691  -5.691
  578   2HB   GLU   5          1HB       GLU  79  -4.797  -6.974  -6.974
  579   1HG   GLU   5          2HG       GLU  79  -4.863  -5.169  -5.169
  580   2HG   GLU   5          1HG       GLU  79  -3.243  -5.824  -5.824
  581    H    SER   6           H        SER  80  -8.013  -5.112  -5.112
  582    HA   SER   6           HA       SER  80  -9.180  -5.570  -5.570
  583   1HB   SER   6          2HB       SER  80 -10.235  -7.468  -7.468
  584   2HB   SER   6          1HB       SER  80  -8.886  -7.487  -7.487
  585    HG   SER   6           HG       SER  80 -11.532  -6.569  -6.569
  586    H    SER   7           H        SER  81  -9.072  -3.569  -3.569
  587    HA   SER   7           HA       SER  81 -11.042  -1.746  -1.746
  588   1HB   SER   7          2HB       SER  81 -12.111  -4.222  -4.222
  589   2HB   SER   7          1HB       SER  81 -12.766  -2.711  -2.711
  590    HG   SER   7           HG       SER  81 -12.861  -2.248  -2.248
  591    H    LEU   8           H        LEU  82 -11.429  -0.158  -0.158
  592    HA   LEU   8           HA       LEU  82  -9.996  -0.679  -0.679
  593   1HB   LEU   8          2HB       LEU  82  -8.893   1.556   1.556
  594   2HB   LEU   8          1HB       LEU  82  -8.407   0.371   0.371
  595    HG   LEU   8           HG       LEU  82 -10.628   1.514   1.514
  596   1HD1  LEU   8          2HD1      LEU  82 -10.087   3.226   3.226
  597   2HD1  LEU   8          1HD1      LEU  82  -9.115   3.932   3.932
  598   3HD1  LEU   8          3HD1      LEU  82 -10.851   3.713   3.713
  599   1HD2  LEU   8          1HD2      LEU  82  -8.388   0.983   0.983
  600   2HD2  LEU   8          3HD2      LEU  82  -9.021   2.549   2.549
  601   3HD2  LEU   8          2HD2      LEU  82  -7.759   2.463   2.463
  602    H    LYS   9           H        LYS  83 -12.880  -0.402  -0.402
  603    HA   LYS   9           HA       LYS  83 -13.513   1.996   1.996
  604   1HB   LYS   9          2HB       LYS  83 -15.106   0.864   0.864
  605   2HB   LYS   9          1HB       LYS  83 -15.435   2.362   2.362
  606   1HG   LYS   9          2HG       LYS  83 -13.794   3.512   3.512
  607   2HG   LYS   9          1HG       LYS  83 -12.707   2.124   2.124
  608   1HD   LYS   9          2HD       LYS  83 -13.405   1.500   1.500
  609   2HD   LYS   9          1HD       LYS  83 -15.103   1.718   1.718
  610   1HE   LYS   9          2HE       LYS  83 -13.386   4.155   4.155
  611   2HE   LYS   9          1HE       LYS  83 -14.030   3.299   3.299
  612   1HZ   LYS   9          3HZ       LYS  83 -15.854   3.720   3.720
  613   2HZ   LYS   9          2HZ       LYS  83 -15.447   5.096   5.096
  614   3HZ   LYS   9          1HZ       LYS  83 -16.162   3.753   3.753
  615    H    SER  10           H        SER  84 -13.194  -0.307  -0.307
  616    HA   SER  10           HA       SER  84 -14.304  -1.994  -1.994
  617   1HB   SER  10          2HB       SER  84 -16.763  -0.347  -0.347
  618   2HB   SER  10          1HB       SER  84 -15.790  -0.890  -0.890
  619    HG   SER  10           HG       SER  84 -14.780   0.946   0.946
  620    H    TYR  11           H        TYR  85 -14.484  -2.413  -2.413
  621    HA   TYR  11           HA       TYR  85 -17.189  -2.925  -2.925
  622   1HB   TYR  11          2HB       TYR  85 -16.074  -3.965  -3.965
  623   2HB   TYR  11          1HB       TYR  85 -15.092  -2.583  -2.583
  624    HD1  TYR  11           HD1      TYR  85 -12.982  -2.911  -2.911
  625    HD2  TYR  11           HD2      TYR  85 -15.302  -6.236  -6.236
  626    HE1  TYR  11           HE1      TYR  85 -11.049  -4.419  -4.419
  627    HE2  TYR  11           HE2      TYR  85 -13.367  -7.743  -7.743
  628    HH   TYR  11           HH       TYR  85 -11.324  -7.922  -7.922
  629    HA   PRO  12           HA       PRO  86 -17.612  -6.648  -6.648
  630   1HB   PRO  12          2HB       PRO  86 -20.192  -7.175  -7.175
  631   2HB   PRO  12          1HB       PRO  86 -19.767  -5.948  -5.948
  632   1HG   PRO  12          2HG       PRO  86 -20.514  -5.611  -5.611
  633   2HG   PRO  12          1HG       PRO  86 -20.899  -4.595  -4.595
  634   1HD   PRO  12          2HD       PRO  86 -18.946  -4.014  -4.014
  635   2HD   PRO  12          1HD       PRO  86 -18.956  -3.415  -3.415
  636    H    ASP  13           HN       ASP  87 -16.085  -7.814  -7.814
  637    HA   ASP  13           HA       ASP  87 -15.534  -9.526  -9.526
  638   1HB   ASP  13          2HB       ASP  87 -18.494  -9.955  -9.955
  639   2HB   ASP  13          1HB       ASP  87 -17.485 -11.106 -11.106

  Start of MODEL   13
    1   1H    ILE   1          1H        ILE   1   9.502  13.180  13.180
    2   2H    ILE   1          3H        ILE   1  10.083  14.428  14.428
    3   3H    ILE   1          2H        ILE   1   9.439  14.790  14.790
    4    HA   ILE   1           HA       ILE   1   7.783  15.360  15.360
    5    HB   ILE   1           HB       ILE   1   7.111  13.593  13.593
    6   1HG1  ILE   1          2HG1      ILE   1   9.533  12.097  12.097
    7   2HG1  ILE   1          1HG1      ILE   1   7.877  11.696  11.696
    8   1HG2  ILE   1          3HG2      ILE   1   9.345  15.229  15.229
    9   2HG2  ILE   1          2HG2      ILE   1  10.005  13.651  13.651
   10   3HG2  ILE   1          1HG2      ILE   1   8.699  14.352  14.352
   11   1HD1  ILE   1          1HD1      ILE   1   8.391  11.977  11.977
   12   2HD1  ILE   1          3HD1      ILE   1   9.123  10.578  10.578
   13   3HD1  ILE   1          2HD1      ILE   1   7.378  10.817  10.817
   14    H    VAL   2           H        VAL   2   5.629  13.590  13.590
   15    HA   VAL   2           HA       VAL   2   5.050  12.657  12.657
   16    HB   VAL   2           HB       VAL   2   3.082  13.696  13.696
   17   1HG1  VAL   2          3HG1      VAL   2   2.689  12.403  12.403
   18   2HG1  VAL   2          2HG1      VAL   2   2.669  14.087  14.087
   19   3HG1  VAL   2          1HG1      VAL   2   1.541  13.534  13.534
   20   1HG2  VAL   2          2HG2      VAL   2   4.778  15.188  15.188
   21   2HG2  VAL   2          1HG2      VAL   2   4.572  15.529  15.529
   22   3HG2  VAL   2          3HG2      VAL   2   3.251  15.842  15.842
   23    H    CYS   3           H        CYS   3   3.625  10.802  10.802
   24    HA   CYS   3           HA       CYS   3   3.219   9.291   9.291
   25   1HB   CYS   3          2HB       CYS   3   4.302   8.061   8.061
   26   2HB   CYS   3          1HB       CYS   3   4.318   7.414   7.414
   27    H    HIS   4           H        HIS   4   1.597   7.537   7.537
   28    HA   HIS   4           HA       HIS   4  -0.497   8.272   8.272
   29   1HB   HIS   4          2HB       HIS   4  -0.592   6.142   6.142
   30   2HB   HIS   4          1HB       HIS   4  -1.929   7.030   7.030
   31    HD1  HIS   4           HD1      HIS   4  -0.991   9.875   9.875
   32    HD2  HIS   4           HD2      HIS   4  -0.566   7.076   7.076
   33    HE1  HIS   4           HE1      HIS   4  -0.750  11.196  11.196
   34    H    THR   5           H        THR   5  -1.392   6.700   6.700
   35    HA   THR   5           HA       THR   5   0.407   4.324   4.324
   36    HB   THR   5           HB       THR   5   0.512   4.745   4.745
   37    HG1  THR   5           HG1      THR   5  -1.657   4.379   4.379
   38   1HG2  THR   5          2HG2      THR   5   1.117   6.920   6.920
   39   2HG2  THR   5          1HG2      THR   5  -0.486   7.505   7.505
   40   3HG2  THR   5          3HG2      THR   5   0.676   7.077   7.077
   41    H    THR   6           H        THR   6  -0.681   2.674   2.674
   42    HA   THR   6           HA       THR   6  -3.623   2.424   2.424
   43    HB   THR   6           HB       THR   6  -2.632   0.103   0.103
   44    HG1  THR   6           HG1      THR   6  -0.529   1.095   1.095
   45   1HG2  THR   6          3HG2      THR   6  -4.347   1.924   1.924
   46   2HG2  THR   6          2HG2      THR   6  -2.974   2.551   2.551
   47   3HG2  THR   6          1HG2      THR   6  -3.547   0.906   0.906
   48    H    ALA   7           H        ALA   7  -0.666   1.549   1.549
   49    HA   ALA   7           HA       ALA   7  -1.735  -0.853  -0.853
   50   1HB   ALA   7          1HB       ALA   7   0.848   0.490   0.490
   51   2HB   ALA   7          3HB       ALA   7   0.744  -0.436  -0.436
   52   3HB   ALA   7          2HB       ALA   7   0.447  -1.234  -1.234
   53    H    THR   8           H        THR   8  -0.748   2.432   2.432
   54    HA   THR   8           HA       THR   8  -1.528   1.749   1.749
   55    HB   THR   8           HB       THR   8  -0.582   4.189   4.189
   56    HG1  THR   8           HG1      THR   8  -0.134   5.009   5.009
   57   1HG2  THR   8          3HG2      THR   8   0.871   1.643   1.643
   58   2HG2  THR   8          2HG2      THR   8   1.808   3.124   3.124
   59   3HG2  THR   8          1HG2      THR   8   0.783   2.550   2.550
   60    H    SER   9           H        SER   9  -1.875   5.057   5.057
   61    HA   SER   9           HA       SER   9  -4.680   5.083   5.083
   62   1HB   SER   9          2HB       SER   9  -4.309   7.451   7.451
   63   2HB   SER   9          1HB       SER   9  -3.570   7.104   7.104
   64    HG   SER   9           HG       SER   9  -2.439   7.349   7.349
   65    HA   PRO  10           HA       PRO  10  -6.549   4.255   4.255
   66   1HB   PRO  10          2HB       PRO  10  -8.209   6.377   6.377
   67   2HB   PRO  10          1HB       PRO  10  -8.566   5.095   5.095
   68   1HG   PRO  10          2HG       PRO  10  -7.450   7.826   7.826
   69   2HG   PRO  10          1HG       PRO  10  -8.671   6.941   6.941
   70   1HD   PRO  10          2HD       PRO  10  -6.112   7.117   7.117
   71   2HD   PRO  10          1HD       PRO  10  -7.094   5.663   5.663
   72    H    ILE  11           H        ILE  11  -6.208   4.589   4.589
   73    HA   ILE  11           HA       ILE  11  -3.985   5.705   5.705
   74    HB   ILE  11           HB       ILE  11  -6.447   4.750   4.750
   75   1HG1  ILE  11          2HG1      ILE  11  -3.708   5.342   5.342
   76   2HG1  ILE  11          1HG1      ILE  11  -4.371   3.793   3.793
   77   1HG2  ILE  11          3HG2      ILE  11  -5.551   7.312   7.312
   78   2HG2  ILE  11          2HG2      ILE  11  -6.650   6.138   6.138
   79   3HG2  ILE  11          1HG2      ILE  11  -7.125   7.010   7.010
   80   1HD1  ILE  11          2HD1      ILE  11  -6.140   4.238   4.238
   81   2HD1  ILE  11          1HD1      ILE  11  -4.907   5.336   5.336
   82   3HD1  ILE  11          3HD1      ILE  11  -4.544   3.621   3.621
   83    H    SER  12           H        SER  12  -3.141   7.553   7.553
   84    HA   SER  12           HA       SER  12  -4.421  10.065  10.065
   85   1HB   SER  12          2HB       SER  12  -4.575   9.060   9.060
   86   2HB   SER  12          1HB       SER  12  -3.511  10.456  10.456
   87    HG   SER  12           HG       SER  12  -5.192  11.560  11.560
   88    H    ALA  13           H        ALA  13  -2.768  11.581  11.581
   89    HA   ALA  13           HA       ALA  13  -0.038  10.472  10.472
   90   1HB   ALA  13          2HB       ALA  13  -1.566  12.243  12.243
   91   2HB   ALA  13          1HB       ALA  13  -0.042  13.004  13.004
   92   3HB   ALA  13          3HB       ALA  13  -0.032  11.439  11.439
   93    H    VAL  14           H        VAL  14   1.456  11.154  11.154
   94    HA   VAL  14           HA       VAL  14   1.385  13.888  13.888
   95    HB   VAL  14           HB       VAL  14   0.942  13.389  13.389
   96   1HG1  VAL  14          1HG1      VAL  14  -0.373  11.070  11.070
   97   2HG1  VAL  14          3HG1      VAL  14  -0.820  11.671  11.671
   98   3HG1  VAL  14          2HG1      VAL  14  -1.030  12.696  12.696
   99   1HG2  VAL  14          3HG2      VAL  14   2.878  11.843  11.843
  100   2HG2  VAL  14          2HG2      VAL  14   1.463  11.261  11.261
  101   3HG2  VAL  14          1HG2      VAL  14   1.888  10.541  10.541
  102    H    THR  15           H        THR  15   3.387  14.522  14.522
  103    HA   THR  15           HA       THR  15   5.682  13.192  13.192
  104    HB   THR  15           HB       THR  15   5.827  15.109  15.109
  105    HG1  THR  15           HG1      THR  15   5.139  15.934  15.934
  106   1HG2  THR  15          3HG2      THR  15   7.367  14.372  14.372
  107   2HG2  THR  15          2HG2      THR  15   7.322  16.100  16.100
  108   3HG2  THR  15          1HG2      THR  15   7.938  14.965  14.965
  109    H    CYS  16           H        CYS  16   6.783  11.446  11.446
  110    HA   CYS  16           HA       CYS  16   5.994  10.341  10.341
  111   1HB   CYS  16          2HB       CYS  16   7.371   9.568   9.568
  112   2HB   CYS  16          1HB       CYS  16   8.450   9.252   9.252
  113    HA   PRO  17           HA       PRO  17   8.880  12.446  12.446
  114   1HB   PRO  17          2HB       PRO  17   8.696  10.814  10.814
  115   2HB   PRO  17          1HB       PRO  17   7.442  11.982  11.982
  116   1HG   PRO  17          2HG       PRO  17   7.512   9.043   9.043
  117   2HG   PRO  17          1HG       PRO  17   6.141  10.112  10.112
  118   1HD   PRO  17          2HD       PRO  17   6.773   9.052   9.052
  119   2HD   PRO  17          1HD       PRO  17   5.769  10.492  10.492
  120    HA   PRO  18           HA       PRO  18  11.883   8.716   8.716
  121   1HB   PRO  18          2HB       PRO  18  11.802   6.788   6.788
  122   2HB   PRO  18          1HB       PRO  18  10.918   6.668   6.668
  123   1HG   PRO  18          2HG       PRO  18   9.935   7.446   7.446
  124   2HG   PRO  18          1HG       PRO  18   9.147   6.478   6.478
  125   1HD   PRO  18          2HD       PRO  18   8.550   9.078   9.078
  126   2HD   PRO  18          1HD       PRO  18   8.357   8.318   8.318
  127    H    GLY  19           H        GLY  19  13.493   7.600   7.600
  128   1HA   GLY  19          2HA       GLY  19  14.355  10.097  10.097
  129   2HA   GLY  19          1HA       GLY  19  15.364   8.679   8.679
  130    H    GLU  20           H        GLU  20  12.085   8.689   8.689
  131    HA   GLU  20           HA       GLU  20  12.937   7.035   7.035
  132   1HB   GLU  20          2HB       GLU  20  10.690   6.775   6.775
  133   2HB   GLU  20          1HB       GLU  20  10.525   8.403   8.403
  134   1HG   GLU  20          2HG       GLU  20  10.968   7.970   7.970
  135   2HG   GLU  20          1HG       GLU  20   9.346   7.854   7.854
  136    H    ASN  21           H        ASN  21  13.220   7.690   7.690
  137    HA   ASN  21           HA       ASN  21  13.872  10.585  10.585
  138   1HB   ASN  21          2HB       ASN  21  14.825   7.961   7.961
  139   2HB   ASN  21          1HB       ASN  21  15.022   9.428   9.428
  140   1HD2  ASN  21          2HD2      ASN  21  16.782   9.926   9.926
  141   2HD2  ASN  21          1HD2      ASN  21  15.115   9.641   9.641
  142    H    LEU  22           H        LEU  22  11.849   7.947   7.947
  143    HA   LEU  22           HA       LEU  22  10.232   9.746   9.746
  144   1HB   LEU  22          2HB       LEU  22  10.331   8.116   8.116
  145   2HB   LEU  22          1HB       LEU  22  11.939   8.723   8.723
  146    HG   LEU  22           HG       LEU  22  11.448   6.456   6.456
  147   1HD1  LEU  22          2HD1      LEU  22   9.850   6.175   6.175
  148   2HD1  LEU  22          1HD1      LEU  22  11.353   5.484   5.484
  149   3HD1  LEU  22          3HD1      LEU  22  10.596   4.815   4.815
  150   1HD2  LEU  22          1HD2      LEU  22  13.328   7.363   7.363
  151   2HD2  LEU  22          3HD2      LEU  22  13.667   6.721   6.721
  152   3HD2  LEU  22          2HD2      LEU  22  13.273   5.623   5.623
  153    H    CYS  23           H        CYS  23   8.544   7.834   7.834
  154    HA   CYS  23           HA       CYS  23   7.297   6.682   6.682
  155   1HB   CYS  23          2HB       CYS  23   6.184   7.241   7.241
  156   2HB   CYS  23          1HB       CYS  23   5.260   6.883   6.883
  157    H    TYR  24           H        TYR  24   5.854   4.646   4.646
  158    HA   TYR  24           HA       TYR  24   7.194   3.064   3.064
  159   1HB   TYR  24          2HB       TYR  24   8.133   1.450   1.450
  160   2HB   TYR  24          1HB       TYR  24   8.575   2.998   2.998
  161    HD1  TYR  24           HD1      TYR  24   6.120   0.219   0.219
  162    HD2  TYR  24           HD2      TYR  24   7.814   3.601   3.601
  163    HE1  TYR  24           HE1      TYR  24   4.934  -0.435  -0.435
  164    HE2  TYR  24           HE2      TYR  24   6.632   2.957   2.957
  165    HH   TYR  24           HH       TYR  24   4.106   0.858   0.858
  166    H    ARG  25           H        ARG  25   5.957   1.350   1.350
  167    HA   ARG  25           HA       ARG  25   3.308   1.033   1.033
  168   1HB   ARG  25          2HB       ARG  25   4.101   0.432   0.432
  169   2HB   ARG  25          1HB       ARG  25   2.465   0.477   0.477
  170   1HG   ARG  25          2HG       ARG  25   3.072   2.929   2.929
  171   2HG   ARG  25          1HG       ARG  25   4.353   2.762   2.762
  172   1HD   ARG  25          2HD       ARG  25   1.949   1.731   1.731
  173   2HD   ARG  25          1HD       ARG  25   1.590   3.328   3.328
  174    HE   ARG  25           HE       ARG  25   3.427   4.255   4.255
  175   1HH1  ARG  25          1HH2      ARG  25   1.679   1.802   1.802
  176   2HH1  ARG  25          2HH2      ARG  25   2.857   1.349   1.349
  177   1HH2  ARG  25          2HH1      ARG  25   5.370   3.315   3.315
  178   2HH2  ARG  25          1HH1      ARG  25   4.945   2.205   2.205
  179    H    LYS  26           H        LYS  26   3.341  -0.930  -0.930
  180    HA   LYS  26           HA       LYS  26   5.012  -3.130  -3.130
  181   1HB   LYS  26          2HB       LYS  26   4.655  -2.015  -2.015
  182   2HB   LYS  26          1HB       LYS  26   4.211  -3.715  -3.715
  183   1HG   LYS  26          2HG       LYS  26   6.358  -4.234  -4.234
  184   2HG   LYS  26          1HG       LYS  26   6.821  -2.541  -2.541
  185   1HD   LYS  26          2HD       LYS  26   6.252  -4.517  -4.517
  186   2HD   LYS  26          1HD       LYS  26   7.804  -3.778  -3.778
  187   1HE   LYS  26          2HE       LYS  26   6.786  -1.524  -1.524
  188   2HE   LYS  26          1HE       LYS  26   5.335  -2.368  -2.368
  189   1HZ   LYS  26          3HZ       LYS  26   6.939  -3.737  -3.737
  190   2HZ   LYS  26          2HZ       LYS  26   8.097  -2.539  -2.539
  191   3HZ   LYS  26          1HZ       LYS  26   6.674  -2.139  -2.139
  192    H    MET  27           H        MET  27   4.139  -5.309  -5.309
  193    HA   MET  27           HA       MET  27   1.257  -5.595  -5.595
  194   1HB   MET  27          2HB       MET  27   2.543  -5.392  -5.392
  195   2HB   MET  27          1HB       MET  27   1.898  -7.021  -7.021
  196   1HG   MET  27          2HG       MET  27  -0.242  -6.302  -6.302
  197   2HG   MET  27          1HG       MET  27   0.052  -4.951  -4.951
  198   1HE   MET  27          1HE       MET  27  -0.856  -6.197  -6.197
  199   2HE   MET  27          3HE       MET  27  -0.760  -4.928  -4.928
  200   3HE   MET  27          2HE       MET  27   0.607  -6.008  -6.008
  201    H    TRP  28           H        TRP  28   0.706  -7.751  -7.751
  202    HA   TRP  28           HA       TRP  28   2.783  -9.815  -9.815
  203   1HB   TRP  28          2HB       TRP  28   2.453  -9.787  -9.787
  204   2HB   TRP  28          1HB       TRP  28   3.679  -8.814  -8.814
  205    HD1  TRP  28           HD1      TRP  28  -0.147  -8.133  -8.133
  206    HE1  TRP  28           HE1      TRP  28  -0.398  -5.869  -5.869
  207    HE3  TRP  28           HE3      TRP  28   4.761  -6.883  -6.883
  208    HZ2  TRP  28           HZ2      TRP  28   1.252  -3.801  -3.801
  209    HZ3  TRP  28           HZ3      TRP  28   5.396  -4.759  -4.759
  210    HH2  TRP  28           HH2      TRP  28   3.645  -3.210  -3.210
  211    H    CYS  29           H        CYS  29   0.536  -9.735  -9.735
  212    HA   CYS  29           HA       CYS  29  -1.731 -10.961 -10.961
  213   1HB   CYS  29          2HB       CYS  29  -0.221 -12.808 -12.808
  214   2HB   CYS  29          1HB       CYS  29   0.377 -12.669 -12.669
  215    H    ASP  30           H        ASP  30  -3.445 -10.772 -10.772
  216    HA   ASP  30           HA       ASP  30  -2.784  -9.840  -9.840
  217   1HB   ASP  30          2HB       ASP  30  -4.414  -8.789  -8.789
  218   2HB   ASP  30          1HB       ASP  30  -5.529 -10.049 -10.049
  219    H    ALA  31           H        ALA  31  -2.615 -11.467 -11.467
  220    HA   ALA  31           HA       ALA  31  -3.074 -13.483 -13.483
  221   1HB   ALA  31          1HB       ALA  31  -5.797 -12.550 -12.550
  222   2HB   ALA  31          3HB       ALA  31  -5.565 -13.802 -13.802
  223   3HB   ALA  31          2HB       ALA  31  -5.026 -12.153 -12.153
  224    H    PHE  32           H        PHE  32  -5.794 -14.003 -14.003
  225    HA   PHE  32           HA       PHE  32  -4.405 -16.414 -16.414
  226   1HB   PHE  32          2HB       PHE  32  -7.112 -15.696 -15.696
  227   2HB   PHE  32          1HB       PHE  32  -7.096 -16.594 -16.594
  228    HD1  PHE  32           HD2      PHE  32  -5.071 -16.686 -16.686
  229    HD2  PHE  32           HD1      PHE  32  -7.403 -18.877 -18.877
  230    HE1  PHE  32           HE2      PHE  32  -4.626 -18.786 -18.786
  231    HE2  PHE  32           HE1      PHE  32  -6.958 -20.976 -20.976
  232    HZ   PHE  32           HZ       PHE  32  -5.570 -20.931 -20.931
  233    H    CYS  33           H        CYS  33  -3.444 -15.749 -15.749
  234    HA   CYS  33           HA       CYS  33  -4.025 -13.672 -13.672
  235   1HB   CYS  33          2HB       CYS  33  -3.396 -16.517 -16.517
  236   2HB   CYS  33          1HB       CYS  33  -3.013 -15.048 -15.048
  237    H    SER  34           H        SER  34  -6.242 -13.169 -13.169
  238    HA   SER  34           HA       SER  34  -8.281 -15.104 -15.104
  239   1HB   SER  34          2HB       SER  34  -7.942 -12.191 -12.191
  240   2HB   SER  34          1HB       SER  34  -9.211 -12.652 -12.652
  241    HG   SER  34           HG       SER  34  -8.899 -13.597 -13.597
  242    H    SER  35           H        SER  35  -9.621 -14.753 -14.753
  243    HA   SER  35           HA       SER  35  -7.955 -15.387 -15.387
  244   1HB   SER  35          2HB       SER  35 -10.867 -14.831 -14.831
  245   2HB   SER  35          1HB       SER  35 -10.297 -15.048 -15.048
  246    HG   SER  35           HG       SER  35 -10.920 -17.033 -17.033
  247    H    ARG  36           H        ARG  36  -8.736 -12.422 -12.422
  248    HA   ARG  36           HA       ARG  36  -8.849 -10.832 -10.832
  249   1HB   ARG  36          2HB       ARG  36  -8.487  -9.992  -9.992
  250   2HB   ARG  36          1HB       ARG  36  -9.085  -8.992  -8.992
  251   1HG   ARG  36          2HG       ARG  36 -10.452 -11.519 -11.519
  252   2HG   ARG  36          1HG       ARG  36 -10.907  -9.894  -9.894
  253   1HD   ARG  36          2HD       ARG  36 -11.853  -9.370  -9.370
  254   2HD   ARG  36          1HD       ARG  36 -10.703 -10.373 -10.373
  255    HE   ARG  36           HE       ARG  36 -12.121 -12.214 -12.214
  256   1HH1  ARG  36          2HH1      ARG  36 -14.115  -9.795  -9.795
  257   2HH1  ARG  36          1HH1      ARG  36 -15.046 -10.483 -10.483
  258   1HH2  ARG  36          1HH2      ARG  36 -12.808 -13.066 -13.066
  259   2HH2  ARG  36          2HH2      ARG  36 -14.306 -12.335 -12.335
  260    H    GLY  37           H        GLY  37  -6.384 -12.516 -12.516
  261   1HA   GLY  37          2HA       GLY  37  -4.079 -12.273 -12.273
  262   2HA   GLY  37          1HA       GLY  37  -4.384 -10.587 -10.587
  263    H    LYS  38           H        LYS  38  -2.703  -9.722  -9.722
  264    HA   LYS  38           HA       LYS  38  -2.685 -10.325 -10.325
  265   1HB   LYS  38          2HB       LYS  38  -1.000  -8.298  -8.298
  266   2HB   LYS  38          1HB       LYS  38  -0.591  -9.236  -9.236
  267   1HG   LYS  38          2HG       LYS  38   0.566 -10.505 -10.505
  268   2HG   LYS  38          1HG       LYS  38  -1.014 -11.245 -11.245
  269   1HD   LYS  38          2HD       LYS  38  -0.982 -10.539 -10.539
  270   2HD   LYS  38          1HD       LYS  38  -0.892  -8.868  -8.868
  271   1HE   LYS  38          2HE       LYS  38   1.699  -9.965  -9.965
  272   2HE   LYS  38          1HE       LYS  38   1.174 -10.433 -10.433
  273   1HZ   LYS  38          2HZ       LYS  38   0.551  -7.725  -7.725
  274   2HZ   LYS  38          1HZ       LYS  38   2.160  -8.049  -8.049
  275   3HZ   LYS  38          3HZ       LYS  38   0.915  -8.280  -8.280
  276    H    VAL  39           H        VAL  39  -1.720  -7.619  -7.619
  277    HA   VAL  39           HA       VAL  39  -4.312  -6.125  -6.125
  278    HB   VAL  39           HB       VAL  39  -2.084  -5.479  -5.479
  279   1HG1  VAL  39          2HG1      VAL  39  -4.759  -4.669  -4.669
  280   2HG1  VAL  39          1HG1      VAL  39  -4.752  -5.582  -5.582
  281   3HG1  VAL  39          3HG1      VAL  39  -3.689  -4.189  -4.189
  282   1HG2  VAL  39          1HG2      VAL  39  -3.574  -8.021  -8.021
  283   2HG2  VAL  39          3HG2      VAL  39  -2.095  -7.612  -7.612
  284   3HG2  VAL  39          2HG2      VAL  39  -3.665  -7.187  -7.187
  285    H    VAL  40           H        VAL  40  -2.737  -3.768  -3.768
  286    HA   VAL  40           HA       VAL  40  -0.719  -3.229  -3.229
  287    HB   VAL  40           HB       VAL  40  -3.486  -1.995  -1.995
  288   1HG1  VAL  40          1HG1      VAL  40  -0.995  -0.708  -0.708
  289   2HG1  VAL  40          3HG1      VAL  40  -1.644  -0.999  -0.999
  290   3HG1  VAL  40          2HG1      VAL  40  -2.588  -0.090  -0.090
  291   1HG2  VAL  40          3HG2      VAL  40  -1.783  -3.720  -3.720
  292   2HG2  VAL  40          2HG2      VAL  40  -3.514  -3.828  -3.828
  293   3HG2  VAL  40          1HG2      VAL  40  -2.890  -2.576  -2.576
  294    H    GLU  41           H        GLU  41   0.449  -2.829  -2.829
  295    HA   GLU  41           HA       GLU  41  -0.517  -0.582  -0.582
  296   1HB   GLU  41          2HB       GLU  41   1.588  -2.649  -2.649
  297   2HB   GLU  41          1HB       GLU  41   0.669  -1.661  -1.661
  298   1HG   GLU  41          2HG       GLU  41  -1.248  -3.013  -3.013
  299   2HG   GLU  41          1HG       GLU  41  -0.033  -4.212  -4.212
  300    H    LEU  42           H        LEU  42   0.367   1.126   1.126
  301    HA   LEU  42           HA       LEU  42   3.266   1.141   1.141
  302   1HB   LEU  42          2HB       LEU  42   1.704   3.622   3.622
  303   2HB   LEU  42          1HB       LEU  42   2.748   2.778   2.778
  304    HG   LEU  42           HG       LEU  42   0.687   1.029   1.029
  305   1HD1  LEU  42          1HD1      LEU  42  -0.306   3.121   3.121
  306   2HD1  LEU  42          3HD1      LEU  42  -0.927   3.489   3.489
  307   3HD1  LEU  42          2HD1      LEU  42  -1.297   1.938   1.938
  308   1HD2  LEU  42          3HD2      LEU  42   1.306   3.430   3.430
  309   2HD2  LEU  42          2HD2      LEU  42   1.277   1.728   1.728
  310   3HD2  LEU  42          1HD2      LEU  42  -0.232   2.615   2.615
  311    H    GLY  43           H        GLY  43   3.844   3.843   3.843
  312   1HA   GLY  43          2HA       GLY  43   3.100   5.210   5.210
  313   2HA   GLY  43          1HA       GLY  43   3.959   3.866   3.866
  314    H    CYS  44           H        CYS  44   5.814   4.910   4.910
  315    HA   CYS  44           HA       CYS  44   7.424   6.378   6.378
  316   1HB   CYS  44          2HB       CYS  44   8.178   7.114   7.114
  317   2HB   CYS  44          1HB       CYS  44   7.408   8.109   8.109
  318    H    ALA  45           H        ALA  45   9.777   6.165   6.165
  319    HA   ALA  45           HA       ALA  45  10.922   4.328   4.328
  320   1HB   ALA  45          3HB       ALA  45  10.246   3.436   3.436
  321   2HB   ALA  45          2HB       ALA  45  11.480   2.624   2.624
  322   3HB   ALA  45          1HB       ALA  45   9.806   2.654   2.654
  323    H    ALA  46           H        ALA  46  13.233   4.332   4.332
  324    HA   ALA  46           HA       ALA  46  14.385   6.627   6.627
  325   1HB   ALA  46          1HB       ALA  46  15.032   5.063   5.063
  326   2HB   ALA  46          3HB       ALA  46  16.048   4.302   4.302
  327   3HB   ALA  46          2HB       ALA  46  16.244   6.016   6.016
  328    H    THR  47           H        THR  47  13.857   3.318   3.318
  329    HA   THR  47           HA       THR  47  14.654   3.836   3.836
  330    HB   THR  47           HB       THR  47  16.836   3.642   3.642
  331    HG1  THR  47           HG1      THR  47  17.363   2.997   2.997
  332   1HG2  THR  47          2HG2      THR  47  15.634   1.718   1.718
  333   2HG2  THR  47          1HG2      THR  47  16.415   0.704   0.704
  334   3HG2  THR  47          3HG2      THR  47  17.384   1.781   1.781
  335    H    CYS  48           H        CYS  48  13.528   2.384   2.384
  336    HA   CYS  48           HA       CYS  48  11.537   0.673   0.673
  337   1HB   CYS  48          2HB       CYS  48  13.369   0.945   0.945
  338   2HB   CYS  48          1HB       CYS  48  12.672  -0.667  -0.667
  339    HA   PRO  49           HA       PRO  49  14.215  -2.387  -2.387
  340   1HB   PRO  49          2HB       PRO  49  12.769  -2.517  -2.517
  341   2HB   PRO  49          1HB       PRO  49  13.977  -1.256  -1.256
  342   1HG   PRO  49          2HG       PRO  49  11.076  -1.036  -1.036
  343   2HG   PRO  49          1HG       PRO  49  12.301   0.237   0.237
  344   1HD   PRO  49          2HD       PRO  49  10.673  -0.654  -0.654
  345   2HD   PRO  49          1HD       PRO  49  11.747   0.758   0.758
  346    H    SER  50           H        SER  50  13.327  -4.460  -4.460
  347    HA   SER  50           HA       SER  50  12.149  -6.501  -6.501
  348   1HB   SER  50          2HB       SER  50  10.232  -4.263  -4.263
  349   2HB   SER  50          1HB       SER  50   9.628  -5.855  -5.855
  350    HG   SER  50           HG       SER  50  10.661  -6.476  -6.476
  351    H    LYS  51           H        LYS  51  13.235  -5.031  -5.031
  352    HA   LYS  51           HA       LYS  51  11.622  -6.534  -6.534
  353   1HB   LYS  51          2HB       LYS  51  12.124  -4.118  -4.118
  354   2HB   LYS  51          1HB       LYS  51  13.848  -4.488  -4.488
  355   1HG   LYS  51          2HG       LYS  51  13.079  -6.223  -6.223
  356   2HG   LYS  51          1HG       LYS  51  11.825  -5.002  -5.002
  357   1HD   LYS  51          2HD       LYS  51  13.678  -4.415  -4.415
  358   2HD   LYS  51          1HD       LYS  51  13.649  -3.262  -3.262
  359   1HE   LYS  51          2HE       LYS  51  15.624  -4.036  -4.036
  360   2HE   LYS  51          1HE       LYS  51  15.273  -5.720  -5.720
  361   1HZ   LYS  51          1HZ       LYS  51  15.605  -3.795  -3.795
  362   2HZ   LYS  51          3HZ       LYS  51  17.009  -4.273  -4.273
  363   3HZ   LYS  51          2HZ       LYS  51  16.032  -5.438  -5.438
  364    H    LYS  52           H        LYS  52  12.484  -8.679  -8.679
  365    HA   LYS  52           HA       LYS  52  14.915  -9.333  -9.333
  366   1HB   LYS  52          2HB       LYS  52  15.046  -8.540  -8.540
  367   2HB   LYS  52          1HB       LYS  52  15.563 -10.218 -10.218
  368   1HG   LYS  52          2HG       LYS  52  17.452  -9.652  -9.652
  369   2HG   LYS  52          1HG       LYS  52  16.616  -8.445  -8.445
  370   1HD   LYS  52          2HD       LYS  52  16.865  -6.768  -6.768
  371   2HD   LYS  52          1HD       LYS  52  17.147  -7.934  -7.934
  372   1HE   LYS  52          2HE       LYS  52  19.382  -7.910  -7.910
  373   2HE   LYS  52          1HE       LYS  52  19.140  -8.198  -8.198
  374   1HZ   LYS  52          3HZ       LYS  52  18.463  -5.577  -5.577
  375   2HZ   LYS  52          2HZ       LYS  52  20.083  -5.928  -5.928
  376   3HZ   LYS  52          1HZ       LYS  52  18.901  -5.963  -5.963
  377    HA   PRO  53           HA       PRO  53  13.330 -13.330 -13.330
  378   1HB   PRO  53          2HB       PRO  53  11.481 -13.167 -13.167
  379   2HB   PRO  53          1HB       PRO  53  13.232 -13.117 -13.117
  380   1HG   PRO  53          2HG       PRO  53  11.263 -10.891 -10.891
  381   2HG   PRO  53          1HG       PRO  53  12.668 -11.118 -11.118
  382   1HD   PRO  53          2HD       PRO  53  12.642  -9.451  -9.451
  383   2HD   PRO  53          1HD       PRO  53  14.111 -10.211 -10.211
  384    H    TYR  54           H        TYR  54  10.278 -11.998 -11.998
  385    HA   TYR  54           HA       TYR  54   9.048 -12.585 -12.585
  386   1HB   TYR  54          2HB       TYR  54   7.187 -13.581 -13.581
  387   2HB   TYR  54          1HB       TYR  54   8.470 -14.566 -14.566
  388    HD1  TYR  54           HD2      TYR  54   8.232 -12.068 -12.068
  389    HD2  TYR  54           HD1      TYR  54   9.485 -15.978 -15.978
  390    HE1  TYR  54           HE2      TYR  54   9.154 -12.499 -12.499
  391    HE2  TYR  54           HE1      TYR  54  10.406 -16.410 -16.410
  392    HH   TYR  54           HH       TYR  54  10.678 -13.895 -13.895
  393    H    GLU  55           H        GLU  55   9.359 -10.426 -10.426
  394    HA   GLU  55           HA       GLU  55   6.657  -9.400  -9.400
  395   1HB   GLU  55          2HB       GLU  55   9.436  -8.398  -8.398
  396   2HB   GLU  55          1HB       GLU  55   8.006  -7.410  -7.410
  397   1HG   GLU  55          2HG       GLU  55   7.291  -8.724  -8.724
  398   2HG   GLU  55          1HG       GLU  55   7.860 -10.210 -10.210
  399    H    GLU  56           H        GLU  56   5.617  -8.122  -8.122
  400    HA   GLU  56           HA       GLU  56   7.095  -7.164  -7.164
  401   1HB   GLU  56          2HB       GLU  56   4.519  -8.107  -8.107
  402   2HB   GLU  56          1HB       GLU  56   4.297  -6.401  -6.401
  403   1HG   GLU  56          2HG       GLU  56   4.844  -6.702  -6.702
  404   2HG   GLU  56          1HG       GLU  56   6.134  -7.843  -7.843
  405    H    VAL  57           H        VAL  57   8.375  -5.474  -5.474
  406    HA   VAL  57           HA       VAL  57   6.832  -3.203  -3.203
  407    HB   VAL  57           HB       VAL  57   9.826  -3.602  -3.602
  408   1HG1  VAL  57          1HG1      VAL  57   8.223  -1.489  -1.489
  409   2HG1  VAL  57          3HG1      VAL  57   8.791  -2.319  -2.319
  410   3HG1  VAL  57          2HG1      VAL  57   9.952  -1.704  -1.704
  411   1HG2  VAL  57          3HG2      VAL  57   7.888  -5.140  -5.140
  412   2HG2  VAL  57          2HG2      VAL  57   9.642  -5.320  -5.320
  413   3HG2  VAL  57          1HG2      VAL  57   8.883  -4.227  -4.227
  414    H    THR  58           H        THR  58   7.083  -1.073  -1.073
  415    HA   THR  58           HA       THR  58   8.509  -0.798  -0.798
  416    HB   THR  58           HB       THR  58   5.820   0.440   0.440
  417    HG1  THR  58           HG1      THR  58   5.020  -1.731  -1.731
  418   1HG2  THR  58          3HG2      THR  58   7.722  -0.226  -0.226
  419   2HG2  THR  58          2HG2      THR  58   6.298  -1.218  -1.218
  420   3HG2  THR  58          1HG2      THR  58   6.149   0.538   0.538
  421    H    CYS  59           H        CYS  59   8.197   1.725   1.725
  422    HA   CYS  59           HA       CYS  59   8.537   3.318   3.318
  423   1HB   CYS  59          2HB       CYS  59  10.200   3.043   3.043
  424   2HB   CYS  59          1HB       CYS  59  10.118   4.625   4.625
  425    H    CYS  60           H        CYS  60   8.493   5.700   5.700
  426    HA   CYS  60           HA       CYS  60   7.161   6.615   6.615
  427   1HB   CYS  60          2HB       CYS  60   5.014   6.128   6.128
  428   2HB   CYS  60          1HB       CYS  60   5.537   5.434   5.434
  429    H    SER  61           H        SER  61   8.262   8.531   8.531
  430    HA   SER  61           HA       SER  61   8.716  10.080  10.080
  431   1HB   SER  61          2HB       SER  61  10.451  11.174  11.174
  432   2HB   SER  61          1HB       SER  61  10.760   9.543   9.543
  433    HG   SER  61           HG       SER  61  10.800   9.018   9.018
  434    H    THR  62           H        THR  62   6.721  10.134  10.134
  435    HA   THR  62           HA       THR  62   6.729  13.032  13.032
  436    HB   THR  62           HB       THR  62   4.402  11.415  11.415
  437    HG1  THR  62           HG1      THR  62   5.504   9.994   9.994
  438   1HG2  THR  62          2HG2      THR  62   5.676  13.737  13.737
  439   2HG2  THR  62          1HG2      THR  62   6.194  12.569  12.569
  440   3HG2  THR  62          3HG2      THR  62   4.475  12.856  12.856
  441    H    ASP  63           H        ASP  63   4.349  14.064  14.064
  442    HA   ASP  63           HA       ASP  63   3.619  14.118  14.118
  443   1HB   ASP  63          2HB       ASP  63   2.324  15.264  15.264
  444   2HB   ASP  63          1HB       ASP  63   1.951  15.751  15.751
  445    H    LYS  64           H        LYS  64   2.266  12.631  12.631
  446    HA   LYS  64           HA       LYS  64   0.573  10.987  10.987
  447   1HB   LYS  64          2HB       LYS  64  -0.348  13.017  13.017
  448   2HB   LYS  64          1HB       LYS  64  -1.307  11.546  11.546
  449   1HG   LYS  64          2HG       LYS  64  -1.875  11.993  11.993
  450   2HG   LYS  64          1HG       LYS  64  -0.464  13.020  13.020
  451   1HD   LYS  64          2HD       LYS  64  -2.674  14.260  14.260
  452   2HD   LYS  64          1HD       LYS  64  -1.416  14.802  14.802
  453   1HE   LYS  64          2HE       LYS  64  -2.777  14.346  14.346
  454   2HE   LYS  64          1HE       LYS  64  -2.857  12.647  12.647
  455   1HZ   LYS  64          2HZ       LYS  64  -4.496  13.339  13.339
  456   2HZ   LYS  64          1HZ       LYS  64  -4.518  14.891  14.891
  457   3HZ   LYS  64          3HZ       LYS  64  -5.053  13.556  13.556
  458    H    CYS  65           H        CYS  65   2.809  10.154  10.154
  459    HA   CYS  65           HA       CYS  65   1.756   8.853   8.853
  460   1HB   CYS  65          2HB       CYS  65   4.201   8.050   8.050
  461   2HB   CYS  65          1HB       CYS  65   3.900   9.770   9.770
  462    H    ASN  66           H        ASN  66   1.201   8.122   8.122
  463    HA   ASN  66           HA       ASN  66   1.997   5.257   5.257
  464   1HB   ASN  66          2HB       ASN  66   1.777   7.318   7.318
  465   2HB   ASN  66          1HB       ASN  66   0.779   5.941   5.941
  466   1HD2  ASN  66          2HD2      ASN  66   4.605   4.744   4.744
  467   2HD2  ASN  66          1HD2      ASN  66   3.700   5.507   5.507
  468    HA   PRO  67           HA       PRO  67  -2.778   5.450   5.450
  469   1HB   PRO  67          2HB       PRO  67  -3.661   6.239   6.239
  470   2HB   PRO  67          1HB       PRO  67  -3.386   7.381   7.381
  471   1HG   PRO  67          2HG       PRO  67  -1.766   6.869   6.869
  472   2HG   PRO  67          1HG       PRO  67  -1.950   8.350   8.350
  473   1HD   PRO  67          2HD       PRO  67   0.217   6.575   6.575
  474   2HD   PRO  67          1HD       PRO  67  -0.145   7.872   7.872
  475    H    HIS  68           H        HIS  68  -2.139   3.122   3.122
  476    HA   HIS  68           HA       HIS  68  -1.379   1.640   1.640
  477   1HB   HIS  68          2HB       HIS  68  -2.598  -0.224  -0.224
  478   2HB   HIS  68          1HB       HIS  68  -1.663   0.743   0.743
  479    HD1  HIS  68           HD1      HIS  68  -4.952  -0.645  -0.645
  480    HD2  HIS  68           HD2      HIS  68  -3.438   2.851   2.851
  481    HE1  HIS  68           HE1      HIS  68  -6.771   0.259   0.259
  482    HA   PRO  69           HA       PRO  69  -4.763   1.995   1.995
  483   1HB   PRO  69          2HB       PRO  69  -4.261  -0.171  -0.171
  484   2HB   PRO  69          1HB       PRO  69  -3.264   1.295   1.295
  485   1HG   PRO  69          2HG       PRO  69  -2.682  -1.351  -1.351
  486   2HG   PRO  69          1HG       PRO  69  -1.576  -0.097  -0.097
  487   1HD   PRO  69          2HD       PRO  69  -2.243  -0.688  -0.688
  488   2HD   PRO  69          1HD       PRO  69  -1.289   0.688   0.688
  489    H    LYS  70           H        LYS  70  -6.557   1.503   1.503
  490    HA   LYS  70           HA       LYS  70  -7.771  -1.110  -1.110
  491   1HB   LYS  70          2HB       LYS  70  -6.253  -0.642  -0.642
  492   2HB   LYS  70          1HB       LYS  70  -7.947  -0.733  -0.733
  493   1HG   LYS  70          2HG       LYS  70  -6.424  -2.779  -2.779
  494   2HG   LYS  70          1HG       LYS  70  -7.026  -2.982  -2.982
  495   1HD   LYS  70          2HD       LYS  70  -8.867  -3.875  -3.875
  496   2HD   LYS  70          1HD       LYS  70  -9.299  -2.208  -2.208
  497   1HE   LYS  70          2HE       LYS  70  -7.434  -3.100  -3.100
  498   2HE   LYS  70          1HE       LYS  70  -8.729  -4.306  -4.306
  499   1HZ   LYS  70          3HZ       LYS  70  -9.566  -1.523  -1.523
  500   2HZ   LYS  70          2HZ       LYS  70  -8.996  -2.027  -2.027
  501   3HZ   LYS  70          1HZ       LYS  70 -10.299  -2.834  -2.834
  502    H    GLN  71           H        GLN  71  -8.285   1.960   1.960
  503    HA   GLN  71           HA       GLN  71 -10.618   2.437   2.437
  504   1HB   GLN  71          2HB       GLN  71  -8.853   3.792   3.792
  505   2HB   GLN  71          1HB       GLN  71 -10.484   4.028   4.028
  506   1HG   GLN  71          2HG       GLN  71 -11.019   5.412   5.412
  507   2HG   GLN  71          1HG       GLN  71 -10.393   4.276   4.276
  508   1HE2  GLN  71          2HE2      GLN  71  -7.751   6.513   6.513
  509   2HE2  GLN  71          1HE2      GLN  71  -9.037   5.613   5.613
  510    H    ARG  72           H        ARG  72 -11.797   0.353   0.353
  511    HA   ARG  72           HA       ARG  72 -13.192   0.642   0.642
  512   1HB   ARG  72          2HB       ARG  72 -11.533  -1.352  -1.352
  513   2HB   ARG  72          1HB       ARG  72 -13.048  -1.979  -1.979
  514   1HG   ARG  72          2HG       ARG  72 -13.348  -0.888  -0.888
  515   2HG   ARG  72          1HG       ARG  72 -12.202  -2.227  -2.227
  516   1HD   ARG  72          2HD       ARG  72 -14.267  -3.135  -3.135
  517   2HD   ARG  72          1HD       ARG  72 -15.122  -2.273  -2.273
  518    HE   ARG  72           HE       ARG  72 -13.089  -4.416  -4.416
  519   1HH1  ARG  72          1HH2      ARG  72 -13.045  -3.808  -3.808
  520   2HH1  ARG  72          2HH2      ARG  72 -14.584  -4.111  -4.111
  521   1HH2  ARG  72          2HH1      ARG  72 -16.293  -4.257  -4.257
  522   2HH2  ARG  72          1HH1      ARG  72 -16.422  -4.365  -4.365
  523    HA   PRO  73           HA       PRO  73 -16.639   1.125   1.125
  524   1HB   PRO  73          2HB       PRO  73 -18.470   1.776   1.776
  525   2HB   PRO  73          1HB       PRO  73 -17.292   2.937   2.937
  526   1HG   PRO  73          2HG       PRO  73 -17.250   1.419   1.419
  527   2HG   PRO  73          1HG       PRO  73 -16.717   3.072   3.072
  528   1HD   PRO  73          2HD       PRO  73 -15.020   0.935   0.935
  529   2HD   PRO  73          1HD       PRO  73 -14.645   2.399   2.399
  530    H    GLY  74           HN       GLY  74 -17.326  -0.887  -0.887
  531   1HA   GLY  74          2HA       GLY  74 -18.584  -2.696  -2.696
  532   2HA   GLY  74          1HA       GLY  74 -17.783  -3.272  -3.272
  533   1H    MET   1          1H        MET  75 -12.024  -4.651  -4.651
  534   2H    MET   1          3H        MET  75 -13.639  -4.138  -4.138
  535   3H    MET   1          2H        MET  75 -12.903  -4.780  -4.780
  536    HA   MET   1           HA       MET  75 -12.861  -2.490  -2.490
  537   1HB   MET   1          2HB       MET  75 -12.274  -2.465  -2.465
  538   2HB   MET   1          1HB       MET  75 -12.061  -1.024  -1.024
  539   1HG   MET   1          2HG       MET  75 -14.344  -0.852  -0.852
  540   2HG   MET   1          1HG       MET  75 -14.643  -2.555  -2.555
  541   1HE   MET   1          1HE       MET  75 -15.458   0.493   0.493
  542   2HE   MET   1          3HE       MET  75 -15.948   0.656   0.656
  543   3HE   MET   1          2HE       MET  75 -14.326   1.128   1.128
  544    H    ARG   2           H        ARG  76 -11.112  -2.673  -2.673
  545    HA   ARG   2           HA       ARG  76  -8.406  -2.310  -2.310
  546   1HB   ARG   2          2HB       ARG  76  -8.805  -4.522  -4.522
  547   2HB   ARG   2          1HB       ARG  76  -7.527  -4.329  -4.329
  548   1HG   ARG   2          2HG       ARG  76  -9.123  -4.819  -4.819
  549   2HG   ARG   2          1HG       ARG  76 -10.419  -4.993  -4.993
  550   1HD   ARG   2          2HD       ARG  76  -9.266  -6.894  -6.894
  551   2HD   ARG   2          1HD       ARG  76  -7.905  -6.700  -6.700
  552    HE   ARG   2           HE       ARG  76 -10.662  -7.146  -7.146
  553   1HH1  ARG   2          1HH2      ARG  76  -8.173  -9.060  -9.060
  554   2HH1  ARG   2          2HH2      ARG  76  -7.836  -9.788  -9.788
  555   1HH2  ARG   2          2HH1      ARG  76  -9.876  -7.618  -7.618
  556   2HH2  ARG   2          1HH1      ARG  76  -8.800  -8.972  -8.972
  557    H    TYR   3           H        TYR  77  -6.830  -1.774  -1.774
  558    HA   TYR   3           HA       TYR  77  -8.020  -0.569  -0.569
  559   1HB   TYR   3          2HB       TYR  77  -5.132  -0.248  -0.248
  560   2HB   TYR   3          1HB       TYR  77  -6.254   0.951   0.951
  561    HD1  TYR   3           HD2      TYR  77  -5.238  -0.898  -0.898
  562    HD2  TYR   3           HD1      TYR  77  -7.435   2.426   2.426
  563    HE1  TYR   3           HE2      TYR  77  -5.530   0.015   0.015
  564    HE2  TYR   3           HE1      TYR  77  -7.725   3.341   3.341
  565    HH   TYR   3           HH       TYR  77  -6.206   1.777   1.777
  566    H    TYR   4           H        TYR  78  -8.015  -3.252  -3.252
  567    HA   TYR   4           HA       TYR  78  -5.629  -4.616  -4.616
  568   1HB   TYR   4          2HB       TYR  78  -8.406  -5.094  -5.094
  569   2HB   TYR   4          1HB       TYR  78  -7.969  -5.834  -5.834
  570    HD1  TYR   4           HD2      TYR  78  -6.563  -5.493  -5.493
  571    HD2  TYR   4           HD1      TYR  78  -7.198  -8.005  -8.005
  572    HE1  TYR   4           HE2      TYR  78  -5.527  -7.401  -7.401
  573    HE2  TYR   4           HE1      TYR  78  -6.167  -9.910  -9.910
  574    HH   TYR   4           HH       TYR  78  -4.826 -10.431 -10.431
  575    H    GLU   5           H        GLU  79  -6.012  -6.041  -6.041
  576    HA   GLU   5           HA       GLU  79  -5.628  -4.144  -4.144
  577   1HB   GLU   5          2HB       GLU  79  -3.957  -5.829  -5.829
  578   2HB   GLU   5          1HB       GLU  79  -5.168  -7.099  -7.099
  579   1HG   GLU   5          2HG       GLU  79  -5.481  -7.298  -7.298
  580   2HG   GLU   5          1HG       GLU  79  -5.319  -5.563  -5.563
  581    H    SER   6           H        SER  80  -8.326  -5.135  -5.135
  582    HA   SER   6           HA       SER  80  -9.643  -5.731  -5.731
  583   1HB   SER   6          2HB       SER  80  -9.421  -7.766  -7.766
  584   2HB   SER   6          1HB       SER  80 -10.191  -6.944  -6.944
  585    HG   SER   6           HG       SER  80 -11.375  -7.304  -7.304
  586    H    SER   7           H        SER  81  -9.303  -3.182  -3.182
  587    HA   SER   7           HA       SER  81 -11.831  -2.002  -2.002
  588   1HB   SER   7          2HB       SER  81 -12.995  -3.074  -3.074
  589   2HB   SER   7          1HB       SER  81 -11.525  -3.688  -3.688
  590    HG   SER   7           HG       SER  81 -11.454  -1.984  -1.984
  591    H    LEU   8           H        LEU  82 -12.028   0.037   0.037
  592    HA   LEU   8           HA       LEU  82  -9.311   1.028   1.028
  593   1HB   LEU   8          2HB       LEU  82 -10.508   1.606   1.606
  594   2HB   LEU   8          1HB       LEU  82 -11.143   2.911   2.911
  595    HG   LEU   8           HG       LEU  82  -9.106   3.746   3.746
  596   1HD1  LEU   8          2HD1      LEU  82  -9.386   4.138   4.138
  597   2HD1  LEU   8          1HD1      LEU  82  -8.480   2.662   2.662
  598   3HD1  LEU   8          3HD1      LEU  82  -7.685   4.028   4.028
  599   1HD2  LEU   8          1HD2      LEU  82  -8.132   0.972   0.972
  600   2HD2  LEU   8          3HD2      LEU  82  -7.927   1.946   1.946
  601   3HD2  LEU   8          2HD2      LEU  82  -6.964   2.294   2.294
  602    H    LYS   9           H        LYS  83 -12.254   0.328   0.328
  603    HA   LYS   9           HA       LYS  83 -12.341   2.688   2.688
  604   1HB   LYS   9          2HB       LYS  83 -14.760   1.123   1.123
  605   2HB   LYS   9          1HB       LYS  83 -14.702   2.745   2.745
  606   1HG   LYS   9          2HG       LYS  83 -13.968   3.705   3.705
  607   2HG   LYS   9          1HG       LYS  83 -13.351   2.176   2.176
  608   1HD   LYS   9          2HD       LYS  83 -15.327   2.405   2.405
  609   2HD   LYS   9          1HD       LYS  83 -15.857   1.416   1.416
  610   1HE   LYS   9          2HE       LYS  83 -16.053   4.128   4.128
  611   2HE   LYS   9          1HE       LYS  83 -16.800   4.025   4.025
  612   1HZ   LYS   9          1HZ       LYS  83 -17.297   1.873   1.873
  613   2HZ   LYS   9          3HZ       LYS  83 -18.140   3.333   3.333
  614   3HZ   LYS   9          2HZ       LYS  83 -18.291   2.449   2.449
  615    H    SER  10           H        SER  84 -12.201   2.025   2.025
  616    HA   SER  10           HA       SER  84 -11.732  -0.574  -0.574
  617   1HB   SER  10          2HB       SER  84 -12.929   0.473   0.473
  618   2HB   SER  10          1HB       SER  84 -11.369   1.068   1.068
  619    HG   SER  10           HG       SER  84 -13.714   2.138   2.138
  620    H    TYR  11           H        TYR  85 -13.170  -2.067  -2.067
  621    HA   TYR  11           HA       TYR  85 -16.035  -1.923  -1.923
  622   1HB   TYR  11          2HB       TYR  85 -16.529  -3.072  -3.072
  623   2HB   TYR  11          1HB       TYR  85 -15.383  -1.797  -1.797
  624    HD1  TYR  11           HD1      TYR  85 -12.996  -2.339  -2.339
  625    HD2  TYR  11           HD2      TYR  85 -15.924  -5.403  -5.403
  626    HE1  TYR  11           HE1      TYR  85 -11.442  -4.037  -4.037
  627    HE2  TYR  11           HE2      TYR  85 -14.369  -7.101  -7.101
  628    HH   TYR  11           HH       TYR  85 -12.449  -7.408  -7.408
  629    HA   PRO  12           HA       PRO  86 -14.716  -5.493  -5.493
  630   1HB   PRO  12          2HB       PRO  86 -16.966  -5.612  -5.612
  631   2HB   PRO  12          1HB       PRO  86 -15.645  -4.467  -4.467
  632   1HG   PRO  12          2HG       PRO  86 -18.288  -4.011  -4.011
  633   2HG   PRO  12          1HG       PRO  86 -17.328  -2.941  -2.941
  634   1HD   PRO  12          2HD       PRO  86 -17.507  -2.736  -2.736
  635   2HD   PRO  12          1HD       PRO  86 -16.183  -2.075  -2.075
  636    H    ASP  13           HN       ASP  87 -17.250  -5.083  -5.083
  637    HA   ASP  13           HA       ASP  87 -18.787  -6.590  -6.590
  638   1HB   ASP  13          2HB       ASP  87 -17.560  -8.378  -8.378
  639   2HB   ASP  13          1HB       ASP  87 -16.373  -7.102  -7.102

  Start of MODEL   14
    1   1H    ILE   1          1H        ILE   1   7.432  15.086  15.086
    2   2H    ILE   1          3H        ILE   1   7.809  15.490  15.490
    3   3H    ILE   1          2H        ILE   1   6.815  16.514  16.514
    4    HA   ILE   1           HA       ILE   1   5.184  15.447  15.447
    5    HB   ILE   1           HB       ILE   1   5.625  13.032  13.032
    6   1HG1  ILE   1          2HG1      ILE   1   8.512  13.379  13.379
    7   2HG1  ILE   1          1HG1      ILE   1   7.612  13.196  13.196
    8   1HG2  ILE   1          2HG2      ILE   1   6.192  15.274  15.274
    9   2HG2  ILE   1          1HG2      ILE   1   7.861  14.811  14.811
   10   3HG2  ILE   1          3HG2      ILE   1   6.822  13.746  13.746
   11   1HD1  ILE   1          2HD1      ILE   1   6.458  11.285  11.285
   12   2HD1  ILE   1          1HD1      ILE   1   8.157  11.219  11.219
   13   3HD1  ILE   1          3HD1      ILE   1   7.696  10.972  10.972
   14    H    VAL   2           H        VAL   2   3.900  13.153  13.153
   15    HA   VAL   2           HA       VAL   2   4.020  12.673  12.673
   16    HB   VAL   2           HB       VAL   2   1.468  12.972  12.972
   17   1HG1  VAL   2          3HG1      VAL   2   1.811  11.983  11.983
   18   2HG1  VAL   2          2HG1      VAL   2   1.792  13.696  13.696
   19   3HG1  VAL   2          1HG1      VAL   2   0.413  12.975  12.975
   20   1HG2  VAL   2          2HG2      VAL   2   3.087  15.114  15.114
   21   2HG2  VAL   2          1HG2      VAL   2   2.647  15.069  15.069
   22   3HG2  VAL   2          3HG2      VAL   2   1.403  15.318  15.318
   23    H    CYS   3           H        CYS   3   3.049  10.609  10.609
   24    HA   CYS   3           HA       CYS   3   2.758   8.674   8.674
   25   1HB   CYS   3          2HB       CYS   3   3.945   7.994   7.994
   26   2HB   CYS   3          1HB       CYS   3   4.162   7.194   7.194
   27    H    HIS   4           H        HIS   4   1.305   6.871   6.871
   28    HA   HIS   4           HA       HIS   4  -0.748   7.556   7.556
   29   1HB   HIS   4          2HB       HIS   4  -0.743   5.486   5.486
   30   2HB   HIS   4          1HB       HIS   4  -2.132   6.021   6.021
   31    HD1  HIS   4           HD1      HIS   4  -2.212   8.921   8.921
   32    HD2  HIS   4           HD2      HIS   4  -0.846   6.690   6.690
   33    HE1  HIS   4           HE1      HIS   4  -2.447  10.403  10.403
   34    H    THR   5           H        THR   5  -1.608   5.805   5.805
   35    HA   THR   5           HA       THR   5   0.393   3.596   3.596
   36    HB   THR   5           HB       THR   5   0.563   4.104   4.104
   37    HG1  THR   5           HG1      THR   5  -1.567   3.730   3.730
   38   1HG2  THR   5          1HG2      THR   5  -0.436   6.767   6.767
   39   2HG2  THR   5          3HG2      THR   5   0.503   6.537   6.537
   40   3HG2  THR   5          2HG2      THR   5   1.227   6.185   6.185
   41    H    THR   6           H        THR   6  -0.681   1.786   1.786
   42    HA   THR   6           HA       THR   6  -3.596   1.500   1.500
   43    HB   THR   6           HB       THR   6  -3.241  -0.510  -0.510
   44    HG1  THR   6           HG1      THR   6  -0.632  -0.069  -0.069
   45   1HG2  THR   6          1HG2      THR   6  -2.712   1.985   1.985
   46   2HG2  THR   6          3HG2      THR   6  -1.189   1.177   1.177
   47   3HG2  THR   6          2HG2      THR   6  -2.698   0.541   0.541
   48    H    ALA   7           H        ALA   7  -0.500   0.781   0.781
   49    HA   ALA   7           HA       ALA   7  -1.431  -1.482  -1.482
   50   1HB   ALA   7          3HB       ALA   7   1.088  -0.152  -0.152
   51   2HB   ALA   7          2HB       ALA   7   1.121  -1.011  -1.011
   52   3HB   ALA   7          1HB       ALA   7   0.697  -1.878  -1.878
   53    H    THR   8           H        THR   8  -0.730   1.940   1.940
   54    HA   THR   8           HA       THR   8  -0.996   1.544   1.544
   55    HB   THR   8           HB       THR   8  -0.433   4.093   4.093
   56    HG1  THR   8           HG1      THR   8   0.214   4.799   4.799
   57   1HG2  THR   8          2HG2      THR   8   1.373   1.800   1.800
   58   2HG2  THR   8          1HG2      THR   8   2.007   3.444   3.444
   59   3HG2  THR   8          3HG2      THR   8   1.286   2.706   2.706
   60    H    SER   9           H        SER   9  -2.028   4.634   4.634
   61    HA   SER   9           HA       SER   9  -4.757   4.131   4.131
   62   1HB   SER   9          2HB       SER   9  -3.014   6.325   6.325
   63   2HB   SER   9          1HB       SER   9  -4.533   6.508   6.508
   64    HG   SER   9           HG       SER   9  -3.986   6.642   6.642
   65    HA   PRO  10           HA       PRO  10  -6.595   3.117   3.117
   66   1HB   PRO  10          2HB       PRO  10  -8.402   5.074   5.074
   67   2HB   PRO  10          1HB       PRO  10  -8.676   3.847   3.847
   68   1HG   PRO  10          2HG       PRO  10  -7.810   6.684   6.684
   69   2HG   PRO  10          1HG       PRO  10  -8.925   5.741   5.741
   70   1HD   PRO  10          2HD       PRO  10  -6.351   6.240   6.240
   71   2HD   PRO  10          1HD       PRO  10  -7.225   4.771   4.771
   72    H    ILE  11           H        ILE  11  -6.300   3.426   3.426
   73    HA   ILE  11           HA       ILE  11  -4.133   4.656   4.656
   74    HB   ILE  11           HB       ILE  11  -6.528   3.531   3.531
   75   1HG1  ILE  11          2HG1      ILE  11  -3.776   4.200   4.200
   76   2HG1  ILE  11          1HG1      ILE  11  -4.454   2.624   2.624
   77   1HG2  ILE  11          1HG2      ILE  11  -5.751   6.094   6.094
   78   2HG2  ILE  11          3HG2      ILE  11  -6.796   4.847   4.847
   79   3HG2  ILE  11          2HG2      ILE  11  -7.311   5.746   5.746
   80   1HD1  ILE  11          2HD1      ILE  11  -6.121   3.350   3.350
   81   2HD1  ILE  11          1HD1      ILE  11  -4.636   4.156   4.156
   82   3HD1  ILE  11          3HD1      ILE  11  -4.648   2.412   2.412
   83    H    SER  12           H        SER  12  -3.450   6.552   6.552
   84    HA   SER  12           HA       SER  12  -4.940   8.978   8.978
   85   1HB   SER  12          2HB       SER  12  -4.989   9.886   9.886
   86   2HB   SER  12          1HB       SER  12  -5.407   8.197   8.197
   87    HG   SER  12           HG       SER  12  -3.614   9.298   9.298
   88    H    ALA  13           H        ALA  13  -3.421  10.603  10.603
   89    HA   ALA  13           HA       ALA  13  -0.622   9.653   9.653
   90   1HB   ALA  13          2HB       ALA  13  -2.365  10.982  10.982
   91   2HB   ALA  13          1HB       ALA  13  -1.078  12.127  12.127
   92   3HB   ALA  13          3HB       ALA  13  -0.678  10.546  10.546
   93    H    VAL  14           H        VAL  14   0.732  10.378  10.378
   94    HA   VAL  14           HA       VAL  14   0.413  13.207  13.207
   95    HB   VAL  14           HB       VAL  14   0.682  12.589  12.589
   96   1HG1  VAL  14          2HG1      VAL  14  -1.235  11.280  11.280
   97   2HG1  VAL  14          1HG1      VAL  14  -0.291   9.880   9.880
   98   3HG1  VAL  14          3HG1      VAL  14  -0.919  11.006  11.006
   99   1HG2  VAL  14          3HG2      VAL  14   2.870  11.487  11.487
  100   2HG2  VAL  14          2HG2      VAL  14   1.863  10.570  10.570
  101   3HG2  VAL  14          1HG2      VAL  14   2.033  10.028  10.028
  102    H    THR  15           H        THR  15   2.285  14.337  14.337
  103    HA   THR  15           HA       THR  15   4.486  13.590  13.590
  104    HB   THR  15           HB       THR  15   4.546  15.498  15.498
  105    HG1  THR  15           HG1      THR  15   2.878  16.378  16.378
  106   1HG2  THR  15          2HG2      THR  15   6.061  15.061  15.061
  107   2HG2  THR  15          1HG2      THR  15   5.700  16.745  16.745
  108   3HG2  THR  15          3HG2      THR  15   6.598  15.750  15.750
  109    H    CYS  16           H        CYS  16   6.592  12.807  12.807
  110    HA   CYS  16           HA       CYS  16   6.873  11.766  11.766
  111   1HB   CYS  16          2HB       CYS  16   7.109  10.494  10.494
  112   2HB   CYS  16          1HB       CYS  16   8.241   9.963   9.963
  113    HA   PRO  17           HA       PRO  17  10.445  14.449  14.449
  114   1HB   PRO  17          2HB       PRO  17  10.609  15.438  15.438
  115   2HB   PRO  17          1HB       PRO  17   9.517  16.092  16.092
  116   1HG   PRO  17          2HG       PRO  17   8.927  14.314  14.314
  117   2HG   PRO  17          1HG       PRO  17   7.938  15.585  15.585
  118   1HD   PRO  17          2HD       PRO  17   7.596  12.876  12.876
  119   2HD   PRO  17          1HD       PRO  17   7.001  14.158  14.158
  120    HA   PRO  18           HA       PRO  18  12.702  12.089  12.089
  121   1HB   PRO  18          2HB       PRO  18  11.741   9.580   9.580
  122   2HB   PRO  18          1HB       PRO  18  11.282  11.027  11.027
  123   1HG   PRO  18          2HG       PRO  18   9.813   9.617   9.617
  124   2HG   PRO  18          1HG       PRO  18   9.197  10.353  10.353
  125   1HD   PRO  18          2HD       PRO  18   9.007  11.535  11.535
  126   2HD   PRO  18          1HD       PRO  18   9.131  12.459  12.459
  127    H    GLY  19           H        GLY  19  13.524   9.446   9.446
  128   1HA   GLY  19          2HA       GLY  19  15.318   9.176   9.176
  129   2HA   GLY  19          1HA       GLY  19  14.467   7.762   7.762
  130    H    GLU  20           H        GLU  20  11.917   8.110   8.110
  131    HA   GLU  20           HA       GLU  20  12.326   7.290   7.290
  132   1HB   GLU  20          2HB       GLU  20   9.925   8.055   8.055
  133   2HB   GLU  20          1HB       GLU  20   9.786   7.418   7.418
  134   1HG   GLU  20          2HG       GLU  20   9.776   5.386   5.386
  135   2HG   GLU  20          1HG       GLU  20  11.521   5.626   5.626
  136    H    ASN  21           H        ASN  21  12.928   8.692   8.692
  137    HA   ASN  21           HA       ASN  21  12.036  11.524  11.524
  138   1HB   ASN  21          2HB       ASN  21  14.064   9.907   9.907
  139   2HB   ASN  21          1HB       ASN  21  13.721  11.593  11.593
  140   1HD2  ASN  21          2HD2      ASN  21  14.882  11.506  11.506
  141   2HD2  ASN  21          1HD2      ASN  21  13.387  10.883  10.883
  142    H    LEU  22           H        LEU  22  11.526   8.540   8.540
  143    HA   LEU  22           HA       LEU  22   9.700  10.013  10.013
  144   1HB   LEU  22          2HB       LEU  22  10.419   8.432   8.432
  145   2HB   LEU  22          1HB       LEU  22  11.858   9.128   9.128
  146    HG   LEU  22           HG       LEU  22  11.296   6.951   6.951
  147   1HD1  LEU  22          2HD1      LEU  22   9.934   6.530   6.530
  148   2HD1  LEU  22          1HD1      LEU  22  11.368   5.506   5.506
  149   3HD1  LEU  22          3HD1      LEU  22  10.218   5.352   5.352
  150   1HD2  LEU  22          2HD2      LEU  22  13.489   7.823   7.823
  151   2HD2  LEU  22          1HD2      LEU  22  13.346   6.069   6.069
  152   3HD2  LEU  22          3HD2      LEU  22  13.112   6.872   6.872
  153    H    CYS  23           H        CYS  23   8.109   8.294   8.294
  154    HA   CYS  23           HA       CYS  23   6.936   6.767   6.767
  155   1HB   CYS  23          2HB       CYS  23   5.775   7.402   7.402
  156   2HB   CYS  23          1HB       CYS  23   4.907   6.948   6.948
  157    H    TYR  24           H        TYR  24   5.933   4.622   4.622
  158    HA   TYR  24           HA       TYR  24   7.354   3.304   3.304
  159   1HB   TYR  24          2HB       TYR  24   8.170   1.555   1.555
  160   2HB   TYR  24          1HB       TYR  24   8.634   3.090   3.090
  161    HD1  TYR  24           HD1      TYR  24   6.183   0.316   0.316
  162    HD2  TYR  24           HD2      TYR  24   7.704   3.809   3.809
  163    HE1  TYR  24           HE1      TYR  24   4.895  -0.260  -0.260
  164    HE2  TYR  24           HE2      TYR  24   6.417   3.236   3.236
  165    HH   TYR  24           HH       TYR  24   5.400   1.346   1.346
  166    H    ARG  25           H        ARG  25   6.154   1.637   1.637
  167    HA   ARG  25           HA       ARG  25   3.419   1.275   1.275
  168   1HB   ARG  25          2HB       ARG  25   4.243   0.244   0.244
  169   2HB   ARG  25          1HB       ARG  25   2.693   0.909   0.909
  170   1HG   ARG  25          2HG       ARG  25   3.560   3.162   3.162
  171   2HG   ARG  25          1HG       ARG  25   5.209   2.581   2.581
  172   1HD   ARG  25          2HD       ARG  25   4.826   2.839   2.839
  173   2HD   ARG  25          1HD       ARG  25   3.808   1.391   1.391
  174    HE   ARG  25           HE       ARG  25   2.299   3.646   3.646
  175   1HH1  ARG  25          2HH1      ARG  25   1.461   1.559   1.559
  176   2HH1  ARG  25          1HH1      ARG  25   1.264   2.539   2.539
  177   1HH2  ARG  25          1HH2      ARG  25   3.009   5.237   5.237
  178   2HH2  ARG  25          2HH2      ARG  25   2.140   4.621   4.621
  179    H    LYS  26           H        LYS  26   3.213  -0.672  -0.672
  180    HA   LYS  26           HA       LYS  26   5.109  -2.869  -2.869
  181   1HB   LYS  26          2HB       LYS  26   4.511  -1.462  -1.462
  182   2HB   LYS  26          1HB       LYS  26   3.932  -3.105  -3.105
  183   1HG   LYS  26          2HG       LYS  26   6.069  -4.032  -4.032
  184   2HG   LYS  26          1HG       LYS  26   6.670  -2.565  -2.565
  185   1HD   LYS  26          2HD       LYS  26   5.791  -1.841  -1.841
  186   2HD   LYS  26          1HD       LYS  26   6.784  -3.290  -3.290
  187   1HE   LYS  26          2HE       LYS  26   8.659  -2.253  -2.253
  188   2HE   LYS  26          1HE       LYS  26   7.668  -0.899  -0.899
  189   1HZ   LYS  26          1HZ       LYS  26   7.104  -0.712  -0.712
  190   2HZ   LYS  26          3HZ       LYS  26   8.603  -1.483  -1.483
  191   3HZ   LYS  26          2HZ       LYS  26   8.510   0.006   0.006
  192    H    MET  27           H        MET  27   4.316  -5.063  -5.063
  193    HA   MET  27           HA       MET  27   1.413  -5.481  -5.481
  194   1HB   MET  27          2HB       MET  27   2.786  -5.240  -5.240
  195   2HB   MET  27          1HB       MET  27   2.315  -6.929  -6.929
  196   1HG   MET  27          2HG       MET  27   0.006  -6.309  -6.309
  197   2HG   MET  27          1HG       MET  27   0.424  -4.596  -4.596
  198   1HE   MET  27          1HE       MET  27   1.888  -3.655  -3.655
  199   2HE   MET  27          3HE       MET  27   2.357  -4.281  -4.281
  200   3HE   MET  27          2HE       MET  27   0.942  -3.244  -3.244
  201    H    TRP  28           H        TRP  28   0.872  -7.747  -7.747
  202    HA   TRP  28           HA       TRP  28   2.878  -9.790  -9.790
  203   1HB   TRP  28          2HB       TRP  28   2.866  -9.783  -9.783
  204   2HB   TRP  28          1HB       TRP  28   3.818  -8.585  -8.585
  205    HD1  TRP  28           HD1      TRP  28   0.201  -8.776  -8.776
  206    HE1  TRP  28           HE1      TRP  28  -0.272  -6.507  -6.507
  207    HE3  TRP  28           HE3      TRP  28   4.555  -6.373  -6.373
  208    HZ2  TRP  28           HZ2      TRP  28   1.043  -4.019  -4.019
  209    HZ3  TRP  28           HZ3      TRP  28   4.951  -4.062  -4.062
  210    HH2  TRP  28           HH2      TRP  28   3.197  -2.880  -2.880
  211    H    CYS  29           H        CYS  29  -0.060  -8.545  -8.545
  212    HA   CYS  29           HA       CYS  29  -2.238  -9.658  -9.658
  213   1HB   CYS  29          2HB       CYS  29  -0.835 -11.529 -11.529
  214   2HB   CYS  29          1HB       CYS  29  -0.763 -12.228 -12.228
  215    H    ASP  30           H        ASP  30  -3.366  -9.439  -9.439
  216    HA   ASP  30           HA       ASP  30  -2.150 -10.652 -10.652
  217   1HB   ASP  30          2HB       ASP  30  -1.636  -8.083  -8.083
  218   2HB   ASP  30          1HB       ASP  30  -3.093  -7.855  -7.855
  219    H    ALA  31           H        ALA  31  -3.771  -9.462  -9.462
  220    HA   ALA  31           HA       ALA  31  -5.866  -9.851  -9.851
  221   1HB   ALA  31          2HB       ALA  31  -6.326  -8.611  -8.611
  222   2HB   ALA  31          1HB       ALA  31  -7.720  -9.060  -9.060
  223   3HB   ALA  31          3HB       ALA  31  -6.541  -7.901  -7.901
  224    H    PHE  32           H        PHE  32  -7.249 -10.518 -10.518
  225    HA   PHE  32           HA       PHE  32  -7.429 -13.424 -13.424
  226   1HB   PHE  32          2HB       PHE  32  -9.414 -11.351 -11.351
  227   2HB   PHE  32          1HB       PHE  32  -9.601 -12.874 -12.874
  228    HD1  PHE  32           HD1      PHE  32  -8.349 -12.250 -12.250
  229    HD2  PHE  32           HD2      PHE  32 -11.438 -13.948 -13.948
  230    HE1  PHE  32           HE1      PHE  32  -9.382 -13.271 -13.271
  231    HE2  PHE  32           HE2      PHE  32 -12.471 -14.970 -14.970
  232    HZ   PHE  32           HZ       PHE  32 -11.443 -14.632 -14.632
  233    H    CYS  33           H        CYS  33  -5.298 -13.147 -13.147
  234    HA   CYS  33           HA       CYS  33  -4.935 -12.424 -12.424
  235   1HB   CYS  33          2HB       CYS  33  -3.461 -13.816 -13.816
  236   2HB   CYS  33          1HB       CYS  33  -4.272 -15.232 -15.232
  237    H    SER  34           H        SER  34  -6.580 -12.415 -12.415
  238    HA   SER  34           HA       SER  34  -8.156 -14.917 -14.917
  239   1HB   SER  34          2HB       SER  34  -9.499 -13.268 -13.268
  240   2HB   SER  34          1HB       SER  34  -9.451 -12.937 -12.937
  241    HG   SER  34           HG       SER  34  -7.757 -11.796 -11.796
  242    H    SER  35           H        SER  35  -8.737 -15.276 -15.276
  243    HA   SER  35           HA       SER  35  -6.250 -15.687 -15.687
  244   1HB   SER  35          2HB       SER  35  -8.458 -17.103 -17.103
  245   2HB   SER  35          1HB       SER  35  -9.037 -16.040 -16.040
  246    HG   SER  35           HG       SER  35  -7.261 -18.098 -18.098
  247    H    ARG  36           H        ARG  36  -7.980 -12.960 -12.960
  248    HA   ARG  36           HA       ARG  36  -8.247 -11.977 -11.977
  249   1HB   ARG  36          2HB       ARG  36  -8.246 -10.483 -10.483
  250   2HB   ARG  36          1HB       ARG  36  -9.016  -9.981  -9.981
  251   1HG   ARG  36          2HG       ARG  36  -9.762 -12.500 -12.500
  252   2HG   ARG  36          1HG       ARG  36 -10.605 -10.964 -10.964
  253   1HD   ARG  36          2HD       ARG  36 -11.283 -10.971 -10.971
  254   2HD   ARG  36          1HD       ARG  36 -10.254 -12.376 -12.376
  255    HE   ARG  36           HE       ARG  36 -12.609 -12.474 -12.474
  256   1HH1  ARG  36          1HH1      ARG  36 -11.682 -15.953 -15.953
  257   2HH1  ARG  36          2HH1      ARG  36 -11.359 -14.818 -14.818
  258   1HH2  ARG  36          1HH2      ARG  36 -12.611 -13.528 -13.528
  259   2HH2  ARG  36          2HH2      ARG  36 -12.391 -15.223 -15.223
  260    H    GLY  37           H        GLY  37  -5.574 -12.683 -12.683
  261   1HA   GLY  37          2HA       GLY  37  -3.380 -11.980 -11.980
  262   2HA   GLY  37          1HA       GLY  37  -4.055 -10.359 -10.359
  263    H    LYS  38           H        LYS  38  -2.219  -9.618  -9.618
  264    HA   LYS  38           HA       LYS  38  -2.415 -10.419 -10.419
  265   1HB   LYS  38          2HB       LYS  38  -0.587  -8.306  -8.306
  266   2HB   LYS  38          1HB       LYS  38  -0.280  -9.454  -9.454
  267   1HG   LYS  38          2HG       LYS  38  -0.294  -9.965  -9.965
  268   2HG   LYS  38          1HG       LYS  38   1.014 -10.244 -10.244
  269   1HD   LYS  38          2HD       LYS  38  -1.224 -11.726 -11.726
  270   2HD   LYS  38          1HD       LYS  38  -1.078 -12.046 -12.046
  271   1HE   LYS  38          2HE       LYS  38   1.565 -12.106 -12.106
  272   2HE   LYS  38          1HE       LYS  38   0.618 -12.981 -12.981
  273   1HZ   LYS  38          3HZ       LYS  38   0.136 -13.410 -13.410
  274   2HZ   LYS  38          2HZ       LYS  38   1.374 -14.257 -14.257
  275   3HZ   LYS  38          1HZ       LYS  38  -0.240 -14.428 -14.428
  276    H    VAL  39           H        VAL  39  -1.466  -7.693  -7.693
  277    HA   VAL  39           HA       VAL  39  -4.101  -6.271  -6.271
  278    HB   VAL  39           HB       VAL  39  -1.911  -5.654  -5.654
  279   1HG1  VAL  39          1HG1      VAL  39  -4.582  -4.841  -4.841
  280   2HG1  VAL  39          3HG1      VAL  39  -4.599  -5.832  -5.832
  281   3HG1  VAL  39          2HG1      VAL  39  -3.542  -4.424  -4.424
  282   1HG2  VAL  39          3HG2      VAL  39  -3.444  -8.181  -8.181
  283   2HG2  VAL  39          2HG2      VAL  39  -1.916  -7.846  -7.846
  284   3HG2  VAL  39          1HG2      VAL  39  -3.442  -7.416  -7.416
  285    H    VAL  40           H        VAL  40  -2.635  -3.893  -3.893
  286    HA   VAL  40           HA       VAL  40  -0.597  -3.195  -3.195
  287    HB   VAL  40           HB       VAL  40  -3.405  -2.048  -2.048
  288   1HG1  VAL  40          1HG1      VAL  40  -0.873  -0.748  -0.748
  289   2HG1  VAL  40          3HG1      VAL  40  -1.602  -0.905  -0.905
  290   3HG1  VAL  40          2HG1      VAL  40  -2.477  -0.084  -0.084
  291   1HG2  VAL  40          2HG2      VAL  40  -1.575  -3.652  -3.652
  292   2HG2  VAL  40          1HG2      VAL  40  -3.313  -3.831  -3.831
  293   3HG2  VAL  40          3HG2      VAL  40  -2.695  -2.515  -2.515
  294    H    GLU  41           H        GLU  41   0.478  -2.815  -2.815
  295    HA   GLU  41           HA       GLU  41  -0.622  -0.580  -0.580
  296   1HB   GLU  41          2HB       GLU  41   1.380  -2.706  -2.706
  297   2HB   GLU  41          1HB       GLU  41   0.500  -1.661  -1.661
  298   1HG   GLU  41          2HG       GLU  41  -1.424  -2.962  -2.962
  299   2HG   GLU  41          1HG       GLU  41  -0.301  -4.197  -4.197
  300    H    LEU  42           H        LEU  42   0.326   1.234   1.234
  301    HA   LEU  42           HA       LEU  42   3.252   1.225   1.225
  302   1HB   LEU  42          2HB       LEU  42   1.449   3.594   3.594
  303   2HB   LEU  42          1HB       LEU  42   2.789   3.048   3.048
  304    HG   LEU  42           HG       LEU  42   0.993   0.954   0.954
  305   1HD1  LEU  42          1HD1      LEU  42  -0.435   3.556   3.556
  306   2HD1  LEU  42          3HD1      LEU  42  -1.073   2.425   2.425
  307   3HD1  LEU  42          2HD1      LEU  42  -0.910   1.930   1.930
  308   1HD2  LEU  42          1HD2      LEU  42   2.373   2.520   2.520
  309   2HD2  LEU  42          3HD2      LEU  42   1.049   1.506   1.506
  310   3HD2  LEU  42          2HD2      LEU  42   0.778   3.221   3.221
  311    H    GLY  43           H        GLY  43   3.973   3.749   3.749
  312   1HA   GLY  43          2HA       GLY  43   3.071   5.111   5.111
  313   2HA   GLY  43          1HA       GLY  43   3.950   3.764   3.764
  314    H    CYS  44           H        CYS  44   5.692   5.003   5.003
  315    HA   CYS  44           HA       CYS  44   7.221   6.631   6.631
  316   1HB   CYS  44          2HB       CYS  44   7.419   6.555   6.555
  317   2HB   CYS  44          1HB       CYS  44   8.010   7.807   7.807
  318    H    ALA  45           H        ALA  45   9.635   6.513   6.513
  319    HA   ALA  45           HA       ALA  45  10.832   4.257   4.257
  320   1HB   ALA  45          1HB       ALA  45   9.584   3.248   3.248
  321   2HB   ALA  45          3HB       ALA  45  10.618   4.186   4.186
  322   3HB   ALA  45          2HB       ALA  45  11.320   2.943   2.943
  323    H    ALA  46           H        ALA  46  13.010   4.672   4.672
  324    HA   ALA  46           HA       ALA  46  14.119   7.182   7.182
  325   1HB   ALA  46          1HB       ALA  46  14.782   4.864   4.864
  326   2HB   ALA  46          3HB       ALA  46  16.176   5.310   5.310
  327   3HB   ALA  46          2HB       ALA  46  15.455   6.491   6.491
  328    H    THR  47           H        THR  47  14.147   3.975   3.975
  329    HA   THR  47           HA       THR  47  15.129   5.051   5.051
  330    HB   THR  47           HB       THR  47  17.212   4.846   4.846
  331    HG1  THR  47           HG1      THR  47  17.702   4.196   4.196
  332   1HG2  THR  47          1HG2      THR  47  15.905   2.795   2.795
  333   2HG2  THR  47          3HG2      THR  47  17.114   1.942   1.942
  334   3HG2  THR  47          2HG2      THR  47  17.613   3.198   3.198
  335    H    CYS  48           H        CYS  48  14.955   3.434   3.434
  336    HA   CYS  48           HA       CYS  48  12.753   1.728   1.728
  337   1HB   CYS  48          2HB       CYS  48  15.050   2.285   2.285
  338   2HB   CYS  48          1HB       CYS  48  14.694   0.558   0.558
  339    HA   PRO  49           HA       PRO  49  14.545  -1.323  -1.323
  340   1HB   PRO  49          2HB       PRO  49  12.142  -2.445  -2.445
  341   2HB   PRO  49          1HB       PRO  49  12.764  -0.963  -0.963
  342   1HG   PRO  49          2HG       PRO  49  10.700  -1.291  -1.291
  343   2HG   PRO  49          1HG       PRO  49  10.789  -0.119  -0.119
  344   1HD   PRO  49          2HD       PRO  49  11.429   0.444   0.444
  345   2HD   PRO  49          1HD       PRO  49  12.054   1.338   1.338
  346    H    SER  50           H        SER  50  15.444  -3.077  -3.077
  347    HA   SER  50           HA       SER  50  14.334  -4.286  -4.286
  348   1HB   SER  50          2HB       SER  50  16.607  -4.545  -4.545
  349   2HB   SER  50          1HB       SER  50  16.663  -4.553  -4.553
  350    HG   SER  50           HG       SER  50  17.173  -6.600  -6.600
  351    H    LYS  51           H        LYS  51  13.985  -6.739  -6.739
  352    HA   LYS  51           HA       LYS  51  12.471  -7.659  -7.659
  353   1HB   LYS  51          2HB       LYS  51  11.082  -8.863  -8.863
  354   2HB   LYS  51          1HB       LYS  51  10.914  -7.108  -7.108
  355   1HG   LYS  51          2HG       LYS  51  11.907  -6.797  -6.797
  356   2HG   LYS  51          1HG       LYS  51  13.110  -8.054  -8.054
  357   1HD   LYS  51          2HD       LYS  51  11.016  -9.659  -9.659
  358   2HD   LYS  51          1HD       LYS  51  10.352  -8.299  -8.299
  359   1HE   LYS  51          2HE       LYS  51  13.134  -9.300  -9.300
  360   2HE   LYS  51          1HE       LYS  51  11.715 -10.085 -10.085
  361   1HZ   LYS  51          3HZ       LYS  51  10.957  -7.729  -7.729
  362   2HZ   LYS  51          2HZ       LYS  51  12.561  -7.258  -7.258
  363   3HZ   LYS  51          1HZ       LYS  51  12.219  -8.358  -8.358
  364    H    LYS  52           H        LYS  52  11.997 -10.250 -10.250
  365    HA   LYS  52           HA       LYS  52  14.489 -11.506 -11.506
  366   1HB   LYS  52          2HB       LYS  52  13.861 -11.022 -11.022
  367   2HB   LYS  52          1HB       LYS  52  14.090 -12.741 -12.741
  368   1HG   LYS  52          2HG       LYS  52  16.314 -12.424 -12.424
  369   2HG   LYS  52          1HG       LYS  52  16.106 -11.329 -11.329
  370   1HD   LYS  52          2HD       LYS  52  16.619  -9.562  -9.562
  371   2HD   LYS  52          1HD       LYS  52  15.326  -9.978  -9.978
  372   1HE   LYS  52          2HE       LYS  52  17.888 -11.552 -11.552
  373   2HE   LYS  52          1HE       LYS  52  17.816  -9.956  -9.956
  374   1HZ   LYS  52          1HZ       LYS  52  15.763 -12.062 -12.062
  375   2HZ   LYS  52          3HZ       LYS  52  17.080 -11.842 -11.842
  376   3HZ   LYS  52          2HZ       LYS  52  15.931 -10.605 -10.605
  377    HA   PRO  53           HA       PRO  53  11.332 -14.969 -14.969
  378   1HB   PRO  53          2HB       PRO  53   9.093 -14.437 -14.437
  379   2HB   PRO  53          1HB       PRO  53  10.622 -14.987 -14.987
  380   1HG   PRO  53          2HG       PRO  53   9.470 -12.248 -12.248
  381   2HG   PRO  53          1HG       PRO  53  10.386 -13.034 -13.034
  382   1HD   PRO  53          2HD       PRO  53  11.460 -11.219 -11.219
  383   2HD   PRO  53          1HD       PRO  53  12.399 -12.481 -12.481
  384    H    TYR  54           H        TYR  54   8.670 -12.724 -12.724
  385    HA   TYR  54           HA       TYR  54   8.162 -12.620 -12.620
  386   1HB   TYR  54          2HB       TYR  54   5.661 -13.049 -13.049
  387   2HB   TYR  54          1HB       TYR  54   6.718 -14.360 -14.360
  388    HD1  TYR  54           HD2      TYR  54   6.387 -12.198 -12.198
  389    HD2  TYR  54           HD1      TYR  54   6.779 -16.165 -16.165
  390    HE1  TYR  54           HE2      TYR  54   6.394 -13.121 -13.121
  391    HE2  TYR  54           HE1      TYR  54   6.789 -17.089 -17.089
  392    HH   TYR  54           HH       TYR  54   6.208 -15.022 -15.022
  393    H    GLU  55           H        GLU  55   8.993 -10.651 -10.651
  394    HA   GLU  55           HA       GLU  55   6.680  -8.907  -8.907
  395   1HB   GLU  55          2HB       GLU  55   9.486  -9.161  -9.161
  396   2HB   GLU  55          1HB       GLU  55   9.024  -7.485  -7.485
  397   1HG   GLU  55          2HG       GLU  55   8.507  -7.876  -7.876
  398   2HG   GLU  55          1HG       GLU  55   6.960  -7.961  -7.961
  399    H    GLU  56           H        GLU  56   5.888  -7.675  -7.675
  400    HA   GLU  56           HA       GLU  56   7.720  -6.857  -6.857
  401   1HB   GLU  56          2HB       GLU  56   5.062  -7.801  -7.801
  402   2HB   GLU  56          1HB       GLU  56   4.939  -6.122  -6.122
  403   1HG   GLU  56          2HG       GLU  56   7.083  -7.405  -7.405
  404   2HG   GLU  56          1HG       GLU  56   5.618  -8.375  -8.375
  405    H    VAL  57           H        VAL  57   8.340  -5.414  -5.414
  406    HA   VAL  57           HA       VAL  57   6.746  -3.018  -3.018
  407    HB   VAL  57           HB       VAL  57   8.607  -2.400  -2.400
  408   1HG1  VAL  57          2HG1      VAL  57   7.159  -4.770  -4.770
  409   2HG1  VAL  57          1HG1      VAL  57   8.826  -5.281  -5.281
  410   3HG1  VAL  57          3HG1      VAL  57   8.114  -4.035  -4.035
  411   1HG2  VAL  57          3HG2      VAL  57  10.045  -4.621  -4.621
  412   2HG2  VAL  57          2HG2      VAL  57  10.429  -2.900  -2.900
  413   3HG2  VAL  57          1HG2      VAL  57  10.673  -3.799  -3.799
  414    H    THR  58           H        THR  58   7.316  -0.872  -0.872
  415    HA   THR  58           HA       THR  58   9.376  -0.664  -0.664
  416    HB   THR  58           HB       THR  58   6.748   0.622   0.622
  417    HG1  THR  58           HG1      THR  58   6.203  -1.600  -1.600
  418   1HG2  THR  58          1HG2      THR  58   8.943   0.374   0.374
  419   2HG2  THR  58          3HG2      THR  58   8.225  -1.183  -1.183
  420   3HG2  THR  58          2HG2      THR  58   7.349   0.309   0.309
  421    H    CYS  59           H        CYS  59   9.188   1.871   1.871
  422    HA   CYS  59           HA       CYS  59   9.215   3.436   3.436
  423   1HB   CYS  59          2HB       CYS  59  10.861   3.367   3.367
  424   2HB   CYS  59          1HB       CYS  59  10.654   4.924   4.924
  425    H    CYS  60           H        CYS  60   9.096   5.889   5.889
  426    HA   CYS  60           HA       CYS  60   7.504   6.608   6.608
  427   1HB   CYS  60          2HB       CYS  60   6.178   5.551   5.551
  428   2HB   CYS  60          1HB       CYS  60   5.706   7.236   7.236
  429    H    SER  61           H        SER  61   8.877   8.412   8.412
  430    HA   SER  61           HA       SER  61   9.161  10.247  10.247
  431   1HB   SER  61          2HB       SER  61  10.846  11.285  11.285
  432   2HB   SER  61          1HB       SER  61  11.222   9.684   9.684
  433    HG   SER  61           HG       SER  61   9.978  10.309  10.309
  434    H    THR  62           H        THR  62   6.575  10.286  10.286
  435    HA   THR  62           HA       THR  62   6.499  12.996  12.996
  436    HB   THR  62           HB       THR  62   4.529  10.964  10.964
  437    HG1  THR  62           HG1      THR  62   5.945   9.708   9.708
  438   1HG2  THR  62          3HG2      THR  62   6.189  13.136  13.136
  439   2HG2  THR  62          2HG2      THR  62   5.059  12.104  12.104
  440   3HG2  THR  62          1HG2      THR  62   4.467  13.195  13.195
  441    H    ASP  63           H        ASP  63   4.541  14.161  14.161
  442    HA   ASP  63           HA       ASP  63   3.450  13.826  13.826
  443   1HB   ASP  63          2HB       ASP  63   3.134  15.479  15.479
  444   2HB   ASP  63          1HB       ASP  63   1.524  15.027  15.027
  445    H    LYS  64           H        LYS  64   1.850  12.504  12.504
  446    HA   LYS  64           HA       LYS  64   0.364  10.648  10.648
  447   1HB   LYS  64          2HB       LYS  64  -0.582  12.910  12.910
  448   2HB   LYS  64          1HB       LYS  64  -1.254  11.421  11.421
  449   1HG   LYS  64          2HG       LYS  64  -2.195  10.793  10.793
  450   2HG   LYS  64          1HG       LYS  64  -1.286  12.041  12.041
  451   1HD   LYS  64          2HD       LYS  64  -2.622  13.776  13.776
  452   2HD   LYS  64          1HD       LYS  64  -3.213  12.789  12.789
  453   1HE   LYS  64          2HE       LYS  64  -4.560  11.438  11.438
  454   2HE   LYS  64          1HE       LYS  64  -3.874  12.274  12.274
  455   1HZ   LYS  64          3HZ       LYS  64  -5.111  13.813  13.813
  456   2HZ   LYS  64          2HZ       LYS  64  -6.088  13.127  13.127
  457   3HZ   LYS  64          1HZ       LYS  64  -4.888  14.257  14.257
  458    H    CYS  65           H        CYS  65   2.629   9.808   9.808
  459    HA   CYS  65           HA       CYS  65   1.970   8.777   8.777
  460   1HB   CYS  65          2HB       CYS  65   4.193   9.724   9.724
  461   2HB   CYS  65          1HB       CYS  65   4.389   8.415   8.415
  462    H    ASN  66           H        ASN  66   1.138   7.814   7.814
  463    HA   ASN  66           HA       ASN  66   1.682   4.937   4.937
  464   1HB   ASN  66          2HB       ASN  66   1.031   6.710   6.710
  465   2HB   ASN  66          1HB       ASN  66   0.642   4.996   4.996
  466   1HD2  ASN  66          2HD2      ASN  66   4.569   5.351   5.351
  467   2HD2  ASN  66          1HD2      ASN  66   3.363   5.865   5.865
  468    HA   PRO  67           HA       PRO  67  -3.073   5.348   5.348
  469   1HB   PRO  67          2HB       PRO  67  -3.807   6.503   6.503
  470   2HB   PRO  67          1HB       PRO  67  -3.559   7.438   7.438
  471   1HG   PRO  67          2HG       PRO  67  -1.846   7.208   7.208
  472   2HG   PRO  67          1HG       PRO  67  -2.014   8.540   8.540
  473   1HD   PRO  67          2HD       PRO  67   0.069   6.657   6.657
  474   2HD   PRO  67          1HD       PRO  67  -0.272   7.807   7.807
  475    H    HIS  68           H        HIS  68  -2.156   3.058   3.058
  476    HA   HIS  68           HA       HIS  68  -1.463   1.909   1.909
  477   1HB   HIS  68          2HB       HIS  68  -2.600  -0.144  -0.144
  478   2HB   HIS  68          1HB       HIS  68  -1.593   0.683   0.683
  479    HD1  HIS  68           HD1      HIS  68  -4.475  -1.107  -1.107
  480    HD2  HIS  68           HD2      HIS  68  -3.679   2.824   2.824
  481    HE1  HIS  68           HE1      HIS  68  -6.254  -0.460  -0.460
  482    HA   PRO  69           HA       PRO  69  -4.714   2.289   2.289
  483   1HB   PRO  69          2HB       PRO  69  -4.398   0.002   0.002
  484   2HB   PRO  69          1HB       PRO  69  -3.275   1.373   1.373
  485   1HG   PRO  69          2HG       PRO  69  -2.992  -1.230  -1.230
  486   2HG   PRO  69          1HG       PRO  69  -1.761  -0.205  -0.205
  487   1HD   PRO  69          2HD       PRO  69  -2.246  -0.385  -0.385
  488   2HD   PRO  69          1HD       PRO  69  -1.386   0.937   0.937
  489    H    LYS  70           H        LYS  70  -5.237   0.455   0.455
  490    HA   LYS  70           HA       LYS  70  -7.470  -1.199  -1.199
  491   1HB   LYS  70          2HB       LYS  70  -5.649  -1.272  -1.272
  492   2HB   LYS  70          1HB       LYS  70  -7.271  -1.132  -1.132
  493   1HG   LYS  70          2HG       LYS  70  -6.897  -3.455  -3.455
  494   2HG   LYS  70          1HG       LYS  70  -7.936  -3.008  -3.008
  495   1HD   LYS  70          2HD       LYS  70  -5.978  -4.494  -4.494
  496   2HD   LYS  70          1HD       LYS  70  -6.078  -2.987  -2.987
  497   1HE   LYS  70          2HE       LYS  70  -4.517  -2.860  -2.860
  498   2HE   LYS  70          1HE       LYS  70  -3.794  -3.798  -3.798
  499   1HZ   LYS  70          2HZ       LYS  70  -4.871  -1.595  -1.595
  500   2HZ   LYS  70          1HZ       LYS  70  -4.172  -0.967  -0.967
  501   3HZ   LYS  70          3HZ       LYS  70  -3.230  -1.859  -1.859
  502    H    GLN  71           H        GLN  71  -7.005   1.920   1.920
  503    HA   GLN  71           HA       GLN  71  -9.203   2.562   2.562
  504   1HB   GLN  71          2HB       GLN  71  -7.176   3.818   3.818
  505   2HB   GLN  71          1HB       GLN  71  -7.236   3.952   3.952
  506   1HG   GLN  71          2HG       GLN  71  -8.827   5.600   5.600
  507   2HG   GLN  71          1HG       GLN  71  -9.559   5.021   5.021
  508   1HE2  GLN  71          2HE2      GLN  71  -7.028   6.675   6.675
  509   2HE2  GLN  71          1HE2      GLN  71  -7.838   5.186   5.186
  510    H    ARG  72           H        ARG  72 -10.715   1.196   1.196
  511    HA   ARG  72           HA       ARG  72 -12.464   2.995   2.995
  512   1HB   ARG  72          2HB       ARG  72 -10.076   2.202   2.202
  513   2HB   ARG  72          1HB       ARG  72 -11.486   1.555   1.555
  514   1HG   ARG  72          2HG       ARG  72 -12.512   3.791   3.791
  515   2HG   ARG  72          1HG       ARG  72 -11.122   4.449   4.449
  516   1HD   ARG  72          2HD       ARG  72 -10.618   4.937   4.937
  517   2HD   ARG  72          1HD       ARG  72  -9.735   3.421   3.421
  518    HE   ARG  72           HE       ARG  72 -12.127   2.447   2.447
  519   1HH1  ARG  72          1HH2      ARG  72 -11.642   5.540   5.540
  520   2HH1  ARG  72          2HH2      ARG  72 -11.578   5.171   5.171
  521   1HH2  ARG  72          2HH1      ARG  72 -11.433   1.741   1.741
  522   2HH2  ARG  72          1HH1      ARG  72 -11.459   3.021   3.021
  523    HA   PRO  73           HA       PRO  73 -14.849  -0.691  -0.691
  524   1HB   PRO  73          2HB       PRO  73 -16.957   0.017   0.017
  525   2HB   PRO  73          1HB       PRO  73 -16.708   0.686   0.686
  526   1HG   PRO  73          2HG       PRO  73 -16.113   1.890   1.890
  527   2HG   PRO  73          1HG       PRO  73 -16.729   2.652   2.652
  528   1HD   PRO  73          2HD       PRO  73 -14.127   2.817   2.817
  529   2HD   PRO  73          1HD       PRO  73 -14.639   2.959   2.959
  530    H    GLY  74           HN       GLY  74 -14.660  -2.623  -2.623
  531   1HA   GLY  74          2HA       GLY  74 -14.688  -4.111  -4.111
  532   2HA   GLY  74          1HA       GLY  74 -14.854  -2.722  -2.722
  533   1H    MET   1          1H        MET  75 -11.885  -5.369  -5.369
  534   2H    MET   1          3H        MET  75 -13.229  -4.903  -4.903
  535   3H    MET   1          2H        MET  75 -13.230  -4.661  -4.661
  536    HA   MET   1           HA       MET  75 -12.593  -2.568  -2.568
  537   1HB   MET   1          2HB       MET  75 -12.521  -3.904  -3.904
  538   2HB   MET   1          1HB       MET  75 -11.155  -2.796  -2.796
  539   1HG   MET   1          2HG       MET  75 -12.639  -0.954  -0.954
  540   2HG   MET   1          1HG       MET  75 -14.027  -2.041  -2.041
  541   1HE   MET   1          3HE       MET  75 -15.420  -2.452  -2.452
  542   2HE   MET   1          2HE       MET  75 -15.433  -2.091  -2.091
  543   3HE   MET   1          1HE       MET  75 -15.541  -0.777  -0.777
  544    H    ARG   2           H        ARG  76 -11.053  -3.153  -3.153
  545    HA   ARG   2           HA       ARG  76  -8.255  -2.813  -2.813
  546   1HB   ARG   2          2HB       ARG  76  -9.461  -5.302  -5.302
  547   2HB   ARG   2          1HB       ARG  76  -7.963  -4.842  -4.842
  548   1HG   ARG   2          2HG       ARG  76  -6.689  -5.042  -5.042
  549   2HG   ARG   2          1HG       ARG  76  -8.048  -4.692  -4.692
  550   1HD   ARG   2          2HD       ARG  76  -7.574  -7.273  -7.273
  551   2HD   ARG   2          1HD       ARG  76  -7.532  -7.054  -7.054
  552    HE   ARG   2           HE       ARG  76 -10.009  -6.151  -6.151
  553   1HH1  ARG   2          2HH1      ARG  76  -9.605  -7.588  -7.588
  554   2HH1  ARG   2          1HH1      ARG  76 -10.459  -9.063  -9.063
  555   1HH2  ARG   2          1HH2      ARG  76 -10.567  -8.596  -8.596
  556   2HH2  ARG   2          2HH2      ARG  76 -11.004  -9.634  -9.634
  557    H    TYR   3           H        TYR  77  -6.872  -2.070  -2.070
  558    HA   TYR   3           HA       TYR  77  -8.211  -1.065  -1.065
  559   1HB   TYR   3          2HB       TYR  77  -5.368  -0.411  -0.411
  560   2HB   TYR   3          1HB       TYR  77  -6.706   0.679   0.679
  561    HD1  TYR   3           HD1      TYR  77  -8.089   1.596   1.596
  562    HD2  TYR   3           HD2      TYR  77  -4.765  -1.019  -1.019
  563    HE1  TYR   3           HE1      TYR  77  -8.136   2.235   2.235
  564    HE2  TYR   3           HE2      TYR  77  -4.810  -0.375  -0.375
  565    HH   TYR   3           HH       TYR  77  -6.547   0.524   0.524
  566    H    TYR   4           H        TYR  78  -8.045  -3.684  -3.684
  567    HA   TYR   4           HA       TYR  78  -5.605  -4.971  -4.971
  568   1HB   TYR   4          2HB       TYR  78  -8.360  -5.533  -5.533
  569   2HB   TYR   4          1HB       TYR  78  -7.907  -6.209  -6.209
  570    HD1  TYR   4           HD1      TYR  78  -6.307  -5.930  -5.930
  571    HD2  TYR   4           HD2      TYR  78  -7.315  -8.415  -8.415
  572    HE1  TYR   4           HE1      TYR  78  -5.256  -7.878  -7.878
  573    HE2  TYR   4           HE2      TYR  78  -6.269 -10.358 -10.358
  574    HH   TYR   4           HH       TYR  78  -5.749 -10.698 -10.698
  575    H    GLU   5           H        GLU  79  -5.860  -6.380  -6.380
  576    HA   GLU   5           HA       GLU  79  -5.402  -4.504  -4.504
  577   1HB   GLU   5          2HB       GLU  79  -3.845  -6.325  -6.325
  578   2HB   GLU   5          1HB       GLU  79  -5.137  -7.510  -7.510
  579   1HG   GLU   5          2HG       GLU  79  -5.250  -7.190  -7.190
  580   2HG   GLU   5          1HG       GLU  79  -4.490  -5.600  -5.600
  581    H    SER   6           H        SER  80  -8.159  -4.587  -4.587
  582    HA   SER   6           HA       SER  80  -9.328  -5.561  -5.561
  583   1HB   SER   6          2HB       SER  80 -11.109  -6.732  -6.732
  584   2HB   SER   6          1HB       SER  80  -9.591  -7.549  -7.549
  585    HG   SER   6           HG       SER  80 -10.203  -7.445  -7.445
  586    H    SER   7           H        SER  81  -9.077  -3.066  -3.066
  587    HA   SER   7           HA       SER  81 -11.168  -1.483  -1.483
  588   1HB   SER   7          2HB       SER  81 -12.656  -1.864  -1.864
  589   2HB   SER   7          1HB       SER  81 -12.928  -2.773  -2.773
  590    HG   SER   7           HG       SER  81 -11.014  -3.690  -3.690
  591    H    LEU   8           H        LEU  82 -12.005   0.036   0.036
  592    HA   LEU   8           HA       LEU  82  -9.613   0.599   0.599
  593   1HB   LEU   8          2HB       LEU  82 -10.511   2.029   2.029
  594   2HB   LEU   8          1HB       LEU  82 -10.788   3.047   3.047
  595    HG   LEU   8           HG       LEU  82  -8.510   3.355   3.355
  596   1HD1  LEU   8          2HD1      LEU  82  -9.051   3.642   3.642
  597   2HD1  LEU   8          1HD1      LEU  82  -8.381   2.029   2.029
  598   3HD1  LEU   8          3HD1      LEU  82  -7.355   3.324   3.324
  599   1HD2  LEU   8          3HD2      LEU  82  -8.510   0.728   0.728
  600   2HD2  LEU   8          2HD2      LEU  82  -7.007   1.613   1.613
  601   3HD2  LEU   8          1HD2      LEU  82  -7.722   0.691   0.691
  602    H    LYS   9           H        LYS  83 -12.586  -0.366  -0.366
  603    HA   LYS   9           HA       LYS  83 -13.466   1.727   1.727
  604   1HB   LYS   9          2HB       LYS  83 -15.185  -0.435  -0.435
  605   2HB   LYS   9          1HB       LYS  83 -15.683   1.128   1.128
  606   1HG   LYS   9          2HG       LYS  83 -14.670   2.289   2.289
  607   2HG   LYS   9          1HG       LYS  83 -13.967   0.787   0.787
  608   1HD   LYS   9          2HD       LYS  83 -16.729   0.285   0.285
  609   2HD   LYS   9          1HD       LYS  83 -16.605   1.856   1.856
  610   1HE   LYS   9          2HE       LYS  83 -16.316   0.663   0.663
  611   2HE   LYS   9          1HE       LYS  83 -14.684   0.320   0.320
  612   1HZ   LYS   9          1HZ       LYS  83 -16.021  -1.430  -1.430
  613   2HZ   LYS   9          3HZ       LYS  83 -17.092  -1.343  -1.343
  614   3HZ   LYS   9          2HZ       LYS  83 -15.475  -1.798  -1.798
  615    H    SER  10           H        SER  84 -13.108   1.088   1.088
  616    HA   SER  10           HA       SER  84 -12.251  -1.345  -1.345
  617   1HB   SER  10          2HB       SER  84 -13.892   0.926   0.926
  618   2HB   SER  10          1HB       SER  84 -13.924  -0.535  -0.535
  619    HG   SER  10           HG       SER  84 -11.499  -0.401  -0.401
  620    H    TYR  11           H        TYR  85 -13.100  -3.343  -3.343
  621    HA   TYR  11           HA       TYR  85 -15.850  -3.761  -3.761
  622   1HB   TYR  11          2HB       TYR  85 -14.010  -5.916  -5.916
  623   2HB   TYR  11          1HB       TYR  85 -15.153  -5.986  -5.986
  624    HD1  TYR  11           HD1      TYR  85 -14.485  -3.520  -3.520
  625    HD2  TYR  11           HD2      TYR  85 -11.916  -6.400  -6.400
  626    HE1  TYR  11           HE1      TYR  85 -12.654  -2.922  -2.922
  627    HE2  TYR  11           HE2      TYR  85 -10.091  -5.802  -5.802
  628    HH   TYR  11           HH       TYR  85 -10.111  -3.039  -3.039
  629    HA   PRO  12           HA       PRO  86 -17.523  -3.996  -3.996
  630   1HB   PRO  12          2HB       PRO  86 -20.005  -4.905  -4.905
  631   2HB   PRO  12          1HB       PRO  86 -19.496  -3.219  -3.219
  632   1HG   PRO  12          2HG       PRO  86 -19.673  -5.417  -5.417
  633   2HG   PRO  12          1HG       PRO  86 -20.038  -3.695  -3.695
  634   1HD   PRO  12          2HD       PRO  86 -17.732  -4.871  -4.871
  635   2HD   PRO  12          1HD       PRO  86 -17.869  -3.153  -3.153
  636    H    ASP  13           HN       ASP  87 -19.100  -5.861  -5.861
  637    HA   ASP  13           HA       ASP  87 -17.477  -8.303  -8.303
  638   1HB   ASP  13          2HB       ASP  87 -18.503  -7.147  -7.147
  639   2HB   ASP  13          1HB       ASP  87 -20.071  -7.723  -7.723

  Start of MODEL   15
    1   1H    ILE   1          1H        ILE   1  -8.233  13.545  13.545
    2   2H    ILE   1          3H        ILE   1  -8.733  14.995  14.995
    3   3H    ILE   1          2H        ILE   1  -8.005  15.021  15.021
    4    HA   ILE   1           HA       ILE   1  -6.386  15.737  15.737
    5    HB   ILE   1           HB       ILE   1  -5.898  14.182  14.182
    6   1HG1  ILE   1          2HG1      ILE   1  -8.406  12.678  12.678
    7   2HG1  ILE   1          1HG1      ILE   1  -6.884  12.208  12.208
    8   1HG2  ILE   1          1HG2      ILE   1  -8.110  15.868  15.868
    9   2HG2  ILE   1          3HG2      ILE   1  -8.773  14.405  14.405
   10   3HG2  ILE   1          2HG2      ILE   1  -7.469  15.278  15.278
   11   1HD1  ILE   1          1HD1      ILE   1  -7.280  12.490  12.490
   12   2HD1  ILE   1          3HD1      ILE   1  -7.353  10.958  10.958
   13   3HD1  ILE   1          2HD1      ILE   1  -5.846  11.873  11.873
   14    H    VAL   2           H        VAL   2  -4.146  14.589  14.589
   15    HA   VAL   2           HA       VAL   2  -3.589  13.063  13.063
   16    HB   VAL   2           HB       VAL   2  -1.693  14.123  14.123
   17   1HG1  VAL   2          1HG1      VAL   2  -1.253  12.597  12.597
   18   2HG1  VAL   2          3HG1      VAL   2  -0.951  14.237  14.237
   19   3HG1  VAL   2          2HG1      VAL   2  -0.050  13.601  13.601
   20   1HG2  VAL   2          1HG2      VAL   2  -3.183  15.523  15.523
   21   2HG2  VAL   2          3HG2      VAL   2  -2.879  16.070  16.070
   22   3HG2  VAL   2          2HG2      VAL   2  -1.575  16.081  16.081
   23    H    CYS   3           H        CYS   3  -2.301  11.102  11.102
   24    HA   CYS   3           HA       CYS   3  -2.221   9.736   9.736
   25   1HB   CYS   3          2HB       CYS   3  -3.227   8.503   8.503
   26   2HB   CYS   3          1HB       CYS   3  -3.352   7.864   7.864
   27    H    HIS   4           H        HIS   4  -0.807   7.744   7.744
   28    HA   HIS   4           HA       HIS   4   1.523   8.232   8.232
   29   1HB   HIS   4          2HB       HIS   4   1.252   6.169   6.169
   30   2HB   HIS   4          1HB       HIS   4   2.708   6.953   6.953
   31    HD1  HIS   4           HD1      HIS   4   1.815   9.868   9.868
   32    HD2  HIS   4           HD2      HIS   4   1.116   7.185   7.185
   33    HE1  HIS   4           HE1      HIS   4   1.491  11.264  11.264
   34    H    THR   5           H        THR   5   2.309   6.534   6.534
   35    HA   THR   5           HA       THR   5   0.277   4.355   4.355
   36    HB   THR   5           HB       THR   5   0.245   4.761   4.761
   37    HG1  THR   5           HG1      THR   5   2.358   4.145   4.145
   38   1HG2  THR   5          3HG2      THR   5  -0.063   7.025   7.025
   39   2HG2  THR   5          2HG2      THR   5   1.566   7.402   7.402
   40   3HG2  THR   5          1HG2      THR   5   0.285   7.071   7.071
   41    H    THR   6           H        THR   6   1.160   2.618   2.618
   42    HA   THR   6           HA       THR   6   4.054   2.020   2.020
   43    HB   THR   6           HB       THR   6   2.882  -0.130  -0.130
   44    HG1  THR   6           HG1      THR   6   0.834   1.005   1.005
   45   1HG2  THR   6          1HG2      THR   6   4.635   1.543   1.543
   46   2HG2  THR   6          3HG2      THR   6   3.278   2.456   2.456
   47   3HG2  THR   6          2HG2      THR   6   3.586   0.810   0.810
   48    H    ALA   7           H        ALA   7   0.982   1.435   1.435
   49    HA   ALA   7           HA       ALA   7   1.794  -1.050  -1.050
   50   1HB   ALA   7          1HB       ALA   7  -0.648   0.472   0.472
   51   2HB   ALA   7          3HB       ALA   7  -0.701  -0.433  -0.433
   52   3HB   ALA   7          2HB       ALA   7  -0.378  -1.277  -1.277
   53    H    THR   8           H        THR   8   1.162   2.330   2.330
   54    HA   THR   8           HA       THR   8   1.551   1.580   1.580
   55    HB   THR   8           HB       THR   8   0.918   4.061   4.061
   56    HG1  THR   8           HG1      THR   8   0.653   5.158   5.158
   57   1HG2  THR   8          3HG2      THR   8  -0.653   1.749   1.749
   58   2HG2  THR   8          2HG2      THR   8  -1.415   3.197   3.197
   59   3HG2  THR   8          1HG2      THR   8  -1.072   3.089   3.089
   60    H    SER   9           H        SER   9   2.513   4.784   4.784
   61    HA   SER   9           HA       SER   9   5.227   4.278   4.278
   62   1HB   SER   9          2HB       SER   9   3.452   6.478   6.478
   63   2HB   SER   9          1HB       SER   9   4.982   6.764   6.764
   64    HG   SER   9           HG       SER   9   5.875   6.045   6.045
   65    HA   PRO  10           HA       PRO  10   7.230   3.585   3.585
   66   1HB   PRO  10          2HB       PRO  10   9.041   5.603   5.603
   67   2HB   PRO  10          1HB       PRO  10   9.266   4.273   4.273
   68   1HG   PRO  10          2HG       PRO  10   8.358   7.068   7.068
   69   2HG   PRO  10          1HG       PRO  10   9.434   6.049   6.049
   70   1HD   PRO  10          2HD       PRO  10   6.825   6.462   6.462
   71   2HD   PRO  10          1HD       PRO  10   7.690   4.958   4.958
   72    H    ILE  11           H        ILE  11   6.894   3.957   3.957
   73    HA   ILE  11           HA       ILE  11   4.834   5.263   5.263
   74    HB   ILE  11           HB       ILE  11   7.275   4.152   4.152
   75   1HG1  ILE  11          2HG1      ILE  11   4.619   4.899   4.899
   76   2HG1  ILE  11          1HG1      ILE  11   5.206   3.307   3.307
   77   1HG2  ILE  11          2HG2      ILE  11   6.609   6.765   6.765
   78   2HG2  ILE  11          1HG2      ILE  11   7.702   5.537   5.537
   79   3HG2  ILE  11          3HG2      ILE  11   8.107   6.392   6.392
   80   1HD1  ILE  11          1HD1      ILE  11   7.070   3.866   3.866
   81   2HD1  ILE  11          3HD1      ILE  11   5.776   4.882   4.882
   82   3HD1  ILE  11          2HD1      ILE  11   5.523   3.147   3.147
   83    H    SER  12           H        SER  12   4.103   7.208   7.208
   84    HA   SER  12           HA       SER  12   5.668   9.584   9.584
   85   1HB   SER  12          2HB       SER  12   5.414  10.540  10.540
   86   2HB   SER  12          1HB       SER  12   6.413   9.089   9.089
   87    HG   SER  12           HG       SER  12   4.466   9.416   9.416
   88    H    ALA  13           H        ALA  13   4.211  11.271  11.271
   89    HA   ALA  13           HA       ALA  13   1.376  10.464  10.464
   90   1HB   ALA  13          3HB       ALA  13   3.170  11.986  11.986
   91   2HB   ALA  13          2HB       ALA  13   1.933  13.103  13.103
   92   3HB   ALA  13          1HB       ALA  13   1.467  11.671  11.671
   93    H    VAL  14           H        VAL  14   0.880  10.686  10.686
   94    HA   VAL  14           HA       VAL  14   0.945  13.499  13.499
   95    HB   VAL  14           HB       VAL  14   0.887  12.574  12.574
   96   1HG1  VAL  14          1HG1      VAL  14   2.934  11.993  11.993
   97   2HG1  VAL  14          3HG1      VAL  14   2.281  10.356  10.356
   98   3HG1  VAL  14          2HG1      VAL  14   2.716  11.089  11.089
   99   1HG2  VAL  14          3HG2      VAL  14  -1.086  11.114  11.114
  100   2HG2  VAL  14          2HG2      VAL  14   0.165  10.287  10.287
  101   3HG2  VAL  14          1HG2      VAL  14  -0.019   9.950   9.950
  102    H    THR  15           H        THR  15  -0.981  14.484  14.484
  103    HA   THR  15           HA       THR  15  -3.333  13.993  13.993
  104    HB   THR  15           HB       THR  15  -3.144  14.951  14.951
  105    HG1  THR  15           HG1      THR  15  -1.853  16.353  16.353
  106   1HG2  THR  15          3HG2      THR  15  -5.241  14.879  14.879
  107   2HG2  THR  15          2HG2      THR  15  -4.962  16.506  16.506
  108   3HG2  THR  15          1HG2      THR  15  -5.370  15.193  15.193
  109    H    CYS  16           H        CYS  16  -5.453  13.009  13.009
  110    HA   CYS  16           HA       CYS  16  -4.931  10.812  10.812
  111   1HB   CYS  16          2HB       CYS  16  -5.530  10.724  10.724
  112   2HB   CYS  16          1HB       CYS  16  -6.433   9.588   9.588
  113    HA   PRO  17           HA       PRO  17  -8.936  12.443  12.443
  114   1HB   PRO  17          2HB       PRO  17  -8.952  11.294  11.294
  115   2HB   PRO  17          1HB       PRO  17  -8.135  12.824  12.824
  116   1HG   PRO  17          2HG       PRO  17  -6.997  10.118  10.118
  117   2HG   PRO  17          1HG       PRO  17  -6.312  11.698  11.698
  118   1HD   PRO  17          2HD       PRO  17  -5.611  10.191  10.191
  119   2HD   PRO  17          1HD       PRO  17  -5.379  11.945  11.945
  120    HA   PRO  18           HA       PRO  18 -10.502   7.929   7.929
  121   1HB   PRO  18          2HB       PRO  18  -8.946   5.949   5.949
  122   2HB   PRO  18          1HB       PRO  18  -8.838   6.453   6.453
  123   1HG   PRO  18          2HG       PRO  18  -7.057   7.096   7.096
  124   2HG   PRO  18          1HG       PRO  18  -6.663   6.830   6.830
  125   1HD   PRO  18          2HD       PRO  18  -6.828   9.293   9.293
  126   2HD   PRO  18          1HD       PRO  18  -6.994   9.007   9.007
  127    H    GLY  19           H        GLY  19  -8.612   9.039   9.039
  128   1HA   GLY  19          2HA       GLY  19 -10.160   7.610   7.610
  129   2HA   GLY  19          1HA       GLY  19  -9.018   8.907   8.907
  130    H    GLU  20           H        GLU  20 -12.263   8.185   8.185
  131    HA   GLU  20           HA       GLU  20 -13.151  10.871  10.871
  132   1HB   GLU  20          2HB       GLU  20 -14.719   9.595   9.595
  133   2HB   GLU  20          1HB       GLU  20 -14.080   8.167   8.167
  134   1HG   GLU  20          2HG       GLU  20 -15.473   8.546   8.546
  135   2HG   GLU  20          1HG       GLU  20 -15.969  10.128  10.128
  136    H    ASN  21           H        ASN  21 -12.173   9.411   9.411
  137    HA   ASN  21           HA       ASN  21 -13.570  11.428  11.428
  138   1HB   ASN  21          2HB       ASN  21 -14.677   9.885   9.885
  139   2HB   ASN  21          1HB       ASN  21 -14.908   9.228   9.228
  140   1HD2  ASN  21          2HD2      ASN  21 -12.237   6.750   6.750
  141   2HD2  ASN  21          1HD2      ASN  21 -12.579   7.951   7.951
  142    H    LEU  22           H        LEU  22 -11.066   8.872   8.872
  143    HA   LEU  22           HA       LEU  22  -9.236  10.523  10.523
  144   1HB   LEU  22          2HB       LEU  22  -9.156   8.993   8.993
  145   2HB   LEU  22          1HB       LEU  22 -10.572  10.026  10.026
  146    HG   LEU  22           HG       LEU  22 -11.397   7.797   7.797
  147   1HD1  LEU  22          2HD1      LEU  22  -9.122   7.040   7.040
  148   2HD1  LEU  22          1HD1      LEU  22 -10.576   6.245   6.245
  149   3HD1  LEU  22          3HD1      LEU  22 -10.085   6.038   6.038
  150   1HD2  LEU  22          1HD2      LEU  22 -12.594   9.073   9.073
  151   2HD2  LEU  22          3HD2      LEU  22 -12.712   7.330   7.330
  152   3HD2  LEU  22          2HD2      LEU  22 -11.587   8.282   8.282
  153    H    CYS  23           H        CYS  23  -7.620   8.618   8.618
  154    HA   CYS  23           HA       CYS  23  -6.515   7.187   7.187
  155   1HB   CYS  23          2HB       CYS  23  -5.387   7.639   7.639
  156   2HB   CYS  23          1HB       CYS  23  -4.481   7.273   7.273
  157    H    TYR  24           H        TYR  24  -5.253   5.056   5.056
  158    HA   TYR  24           HA       TYR  24  -6.793   3.707   3.707
  159   1HB   TYR  24          2HB       TYR  24  -7.854   2.103   2.103
  160   2HB   TYR  24          1HB       TYR  24  -8.168   3.661   3.661
  161    HD1  TYR  24           HD1      TYR  24  -5.999   0.660   0.660
  162    HD2  TYR  24           HD2      TYR  24  -7.314   4.166   4.166
  163    HE1  TYR  24           HE1      TYR  24  -4.872  -0.147  -0.147
  164    HE2  TYR  24           HE2      TYR  24  -6.191   3.378   3.378
  165    HH   TYR  24           HH       TYR  24  -4.402   1.877   1.877
  166    H    ARG  25           H        ARG  25  -5.799   1.852   1.852
  167    HA   ARG  25           HA       ARG  25  -3.108   1.310   1.310
  168   1HB   ARG  25          2HB       ARG  25  -3.910   0.395   0.395
  169   2HB   ARG  25          1HB       ARG  25  -2.341   0.956   0.956
  170   1HG   ARG  25          2HG       ARG  25  -3.417   3.272   3.272
  171   2HG   ARG  25          1HG       ARG  25  -4.771   2.617   2.617
  172   1HD   ARG  25          2HD       ARG  25  -2.354   1.893   1.893
  173   2HD   ARG  25          1HD       ARG  25  -2.322   3.638   3.638
  174    HE   ARG  25           HE       ARG  25  -4.948   2.994   2.994
  175   1HH1  ARG  25          2HH1      ARG  25  -1.812   3.772   3.772
  176   2HH1  ARG  25          1HH1      ARG  25  -2.221   3.721   3.721
  177   1HH2  ARG  25          1HH2      ARG  25  -5.453   2.592   2.592
  178   2HH2  ARG  25          2HH2      ARG  25  -4.282   3.054   3.054
  179    H    LYS  26           H        LYS  26  -3.059  -0.668  -0.668
  180    HA   LYS  26           HA       LYS  26  -5.020  -2.757  -2.757
  181   1HB   LYS  26          2HB       LYS  26  -4.329  -1.630  -1.630
  182   2HB   LYS  26          1HB       LYS  26  -3.897  -3.333  -3.333
  183   1HG   LYS  26          2HG       LYS  26  -6.054  -3.960  -3.960
  184   2HG   LYS  26          1HG       LYS  26  -6.463  -2.920  -2.920
  185   1HD   LYS  26          2HD       LYS  26  -7.703  -2.289  -2.289
  186   2HD   LYS  26          1HD       LYS  26  -6.653  -0.991  -0.991
  187   1HE   LYS  26          2HE       LYS  26  -6.013  -0.997  -0.997
  188   2HE   LYS  26          1HE       LYS  26  -4.927  -2.278  -2.278
  189   1HZ   LYS  26          1HZ       LYS  26  -7.119  -3.691  -3.691
  190   2HZ   LYS  26          3HZ       LYS  26  -7.428  -2.501  -2.501
  191   3HZ   LYS  26          2HZ       LYS  26  -6.017  -3.443  -3.443
  192    H    MET  27           H        MET  27  -4.254  -4.971  -4.971
  193    HA   MET  27           HA       MET  27  -1.354  -5.445  -5.445
  194   1HB   MET  27          2HB       MET  27  -2.806  -4.974  -4.974
  195   2HB   MET  27          1HB       MET  27  -2.163  -6.616  -6.616
  196   1HG   MET  27          2HG       MET  27   0.027  -5.909  -5.909
  197   2HG   MET  27          1HG       MET  27  -0.347  -4.434  -4.434
  198   1HE   MET  27          2HE       MET  27  -0.980  -6.332  -6.332
  199   2HE   MET  27          1HE       MET  27  -1.620  -5.072  -5.072
  200   3HE   MET  27          3HE       MET  27  -2.534  -5.590  -5.590
  201    H    TRP  28           H        TRP  28  -0.942  -7.536  -7.536
  202    HA   TRP  28           HA       TRP  28  -3.112  -9.527  -9.527
  203   1HB   TRP  28          2HB       TRP  28  -2.516  -9.806  -9.806
  204   2HB   TRP  28          1HB       TRP  28  -3.823  -8.796  -8.796
  205    HD1  TRP  28           HD1      TRP  28   0.016  -8.301  -8.301
  206    HE1  TRP  28           HE1      TRP  28   0.292  -6.074  -6.074
  207    HE3  TRP  28           HE3      TRP  28  -4.824  -6.711  -6.711
  208    HZ2  TRP  28           HZ2      TRP  28  -1.323  -3.897  -3.897
  209    HZ3  TRP  28           HZ3      TRP  28  -5.435  -4.553  -4.553
  210    HH2  TRP  28           HH2      TRP  28  -3.685  -3.139  -3.139
  211    H    CYS  29           H        CYS  29  -0.691  -9.832  -9.832
  212    HA   CYS  29           HA       CYS  29   1.425 -11.019 -11.019
  213   1HB   CYS  29          2HB       CYS  29  -0.369 -12.673 -12.673
  214   2HB   CYS  29          1HB       CYS  29  -0.587 -12.837 -12.837
  215    H    ASP  30           H        ASP  30   3.153 -10.673 -10.673
  216    HA   ASP  30           HA       ASP  30   2.627 -10.464 -10.464
  217   1HB   ASP  30          2HB       ASP  30   4.045  -8.968  -8.968
  218   2HB   ASP  30          1HB       ASP  30   5.317  -9.880  -9.880
  219    H    ALA  31           H        ALA  31   3.457 -11.962 -11.962
  220    HA   ALA  31           HA       ALA  31   4.534 -13.914 -13.914
  221   1HB   ALA  31          2HB       ALA  31   6.409 -12.822 -12.822
  222   2HB   ALA  31          1HB       ALA  31   6.837 -14.192 -14.192
  223   3HB   ALA  31          3HB       ALA  31   6.512 -12.617 -12.617
  224    H    PHE  32           H        PHE  32   5.986 -14.514 -14.514
  225    HA   PHE  32           HA       PHE  32   3.934 -16.635 -16.635
  226   1HB   PHE  32          2HB       PHE  32   6.958 -16.797 -16.797
  227   2HB   PHE  32          1HB       PHE  32   5.827 -18.105 -18.105
  228    HD1  PHE  32           HD2      PHE  32   3.869 -17.907 -17.907
  229    HD2  PHE  32           HD1      PHE  32   8.135 -17.419 -17.419
  230    HE1  PHE  32           HE2      PHE  32   3.872 -18.552 -18.552
  231    HE2  PHE  32           HE1      PHE  32   8.138 -18.064 -18.064
  232    HZ   PHE  32           HZ       PHE  32   6.006 -18.631 -18.631
  233    H    CYS  33           H        CYS  33   4.190 -13.952 -13.952
  234    HA   CYS  33           HA       CYS  33   4.185 -12.989 -12.989
  235   1HB   CYS  33          2HB       CYS  33   3.490 -15.866 -15.866
  236   2HB   CYS  33          1HB       CYS  33   3.925 -15.065 -15.065
  237    H    SER  34           H        SER  34   6.208 -12.159 -12.159
  238    HA   SER  34           HA       SER  34   8.563 -13.846 -13.846
  239   1HB   SER  34          2HB       SER  34   8.393 -11.430 -11.430
  240   2HB   SER  34          1HB       SER  34   8.143 -10.968 -10.968
  241    HG   SER  34           HG       SER  34  10.341 -12.494 -12.494
  242    H    SER  35           H        SER  35   9.883 -13.412 -13.412
  243    HA   SER  35           HA       SER  35   8.366 -14.530 -14.530
  244   1HB   SER  35          2HB       SER  35  10.969 -14.420 -14.420
  245   2HB   SER  35          1HB       SER  35  10.953 -13.126 -13.126
  246    HG   SER  35           HG       SER  35   9.642 -15.495 -15.495
  247    H    ARG  36           H        ARG  36   8.597 -11.377 -11.377
  248    HA   ARG  36           HA       ARG  36   8.343  -9.989  -9.989
  249   1HB   ARG  36          2HB       ARG  36   7.961  -8.965  -8.965
  250   2HB   ARG  36          1HB       ARG  36   8.385  -8.022  -8.022
  251   1HG   ARG  36          2HG       ARG  36  10.118 -10.246 -10.246
  252   2HG   ARG  36          1HG       ARG  36  10.336  -8.544  -8.544
  253   1HD   ARG  36          2HD       ARG  36  10.777  -7.974  -7.974
  254   2HD   ARG  36          1HD       ARG  36  10.375  -9.623  -9.623
  255    HE   ARG  36           HE       ARG  36  12.612 -10.127 -10.127
  256   1HH1  ARG  36          2HH1      ARG  36  11.762  -7.257  -7.257
  257   2HH1  ARG  36          1HH1      ARG  36  12.948  -7.418  -7.418
  258   1HH2  ARG  36          1HH2      ARG  36  13.952 -10.585 -10.585
  259   2HH2  ARG  36          2HH2      ARG  36  14.187  -9.302  -9.302
  260    H    GLY  37           H        GLY  37   6.284 -11.577 -11.577
  261   1HA   GLY  37          2HA       GLY  37   3.932 -11.909 -11.909
  262   2HA   GLY  37          1HA       GLY  37   3.912 -10.194 -10.194
  263    H    LYS  38           H        LYS  38   2.421  -9.343  -9.343
  264    HA   LYS  38           HA       LYS  38   2.452 -10.166 -10.166
  265   1HB   LYS  38          2HB       LYS  38   0.745  -8.008  -8.008
  266   2HB   LYS  38          1HB       LYS  38   0.349  -9.127  -9.127
  267   1HG   LYS  38          2HG       LYS  38  -0.802 -10.214 -10.214
  268   2HG   LYS  38          1HG       LYS  38   0.785 -10.871 -10.871
  269   1HD   LYS  38          2HD       LYS  38   0.780  -8.410  -8.410
  270   2HD   LYS  38          1HD       LYS  38  -0.878  -8.975  -8.975
  271   1HE   LYS  38          2HE       LYS  38   0.939 -11.179 -11.179
  272   2HE   LYS  38          1HE       LYS  38   1.393  -9.811  -9.811
  273   1HZ   LYS  38          3HZ       LYS  38  -1.188  -9.630  -9.630
  274   2HZ   LYS  38          2HZ       LYS  38  -1.144 -11.283 -11.283
  275   3HZ   LYS  38          1HZ       LYS  38  -0.299 -10.706 -10.706
  276    H    VAL  39           H        VAL  39   1.457  -7.395  -7.395
  277    HA   VAL  39           HA       VAL  39   4.093  -5.970  -5.970
  278    HB   VAL  39           HB       VAL  39   1.899  -5.415  -5.415
  279   1HG1  VAL  39          1HG1      VAL  39   4.603  -4.666  -4.666
  280   2HG1  VAL  39          3HG1      VAL  39   4.560  -5.666  -5.666
  281   3HG1  VAL  39          2HG1      VAL  39   3.549  -4.227  -4.227
  282   1HG2  VAL  39          1HG2      VAL  39   3.429  -7.954  -7.954
  283   2HG2  VAL  39          3HG2      VAL  39   1.861  -7.648  -7.648
  284   3HG2  VAL  39          2HG2      VAL  39   3.345  -7.240  -7.240
  285    H    VAL  40           H        VAL  40   2.700  -3.612  -3.612
  286    HA   VAL  40           HA       VAL  40   0.641  -2.859  -2.859
  287    HB   VAL  40           HB       VAL  40   3.375  -1.534  -1.534
  288   1HG1  VAL  40          1HG1      VAL  40   0.782  -0.600  -0.600
  289   2HG1  VAL  40          3HG1      VAL  40   1.697  -0.843  -0.843
  290   3HG1  VAL  40          2HG1      VAL  40   2.329   0.218   0.218
  291   1HG2  VAL  40          1HG2      VAL  40   1.969  -3.369  -3.369
  292   2HG2  VAL  40          3HG2      VAL  40   3.527  -3.630  -3.630
  293   3HG2  VAL  40          2HG2      VAL  40   3.360  -2.379  -2.379
  294    H    GLU  41           H        GLU  41  -0.262  -2.808  -2.808
  295    HA   GLU  41           HA       GLU  41   0.731  -0.710  -0.710
  296   1HB   GLU  41          2HB       GLU  41  -1.486  -2.713  -2.713
  297   2HB   GLU  41          1HB       GLU  41  -0.559  -1.899  -1.899
  298   1HG   GLU  41          2HG       GLU  41   0.483  -3.947  -3.947
  299   2HG   GLU  41          1HG       GLU  41   0.320  -4.149  -4.149
  300    H    LEU  42           H        LEU  42  -0.079   1.023   1.023
  301    HA   LEU  42           HA       LEU  42  -2.975   1.315   1.315
  302   1HB   LEU  42          2HB       LEU  42  -1.158   3.644   3.644
  303   2HB   LEU  42          1HB       LEU  42  -2.403   3.023   3.023
  304    HG   LEU  42           HG       LEU  42  -0.530   1.003   1.003
  305   1HD1  LEU  42          3HD1      LEU  42   1.037   2.420   2.420
  306   2HD1  LEU  42          2HD1      LEU  42   0.924   3.666   3.666
  307   3HD1  LEU  42          1HD1      LEU  42   1.645   2.102   2.102
  308   1HD2  LEU  42          2HD2      LEU  42  -1.746   2.762   2.762
  309   2HD2  LEU  42          1HD2      LEU  42  -0.590   1.520   1.520
  310   3HD2  LEU  42          3HD2      LEU  42  -0.044   3.172   3.172
  311    H    GLY  43           H        GLY  43  -3.327   4.039   4.039
  312   1HA   GLY  43          2HA       GLY  43  -2.382   5.244   5.244
  313   2HA   GLY  43          1HA       GLY  43  -3.320   3.943   3.943
  314    H    CYS  44           H        CYS  44  -5.116   4.993   4.993
  315    HA   CYS  44           HA       CYS  44  -6.660   6.758   6.758
  316   1HB   CYS  44          2HB       CYS  44  -7.219   7.383   7.383
  317   2HB   CYS  44          1HB       CYS  44  -6.407   8.376   8.376
  318    H    ALA  45           H        ALA  45  -8.893   6.464   6.464
  319    HA   ALA  45           HA       ALA  45 -10.132   4.618   4.618
  320   1HB   ALA  45          2HB       ALA  45  -9.169   3.559   3.559
  321   2HB   ALA  45          1HB       ALA  45 -10.627   4.248   4.248
  322   3HB   ALA  45          3HB       ALA  45 -10.757   3.064   3.064
  323    H    ALA  46           H        ALA  46 -12.522   4.789   4.789
  324    HA   ALA  46           HA       ALA  46 -13.443   7.520   7.520
  325   1HB   ALA  46          1HB       ALA  46 -14.701   4.925   4.925
  326   2HB   ALA  46          3HB       ALA  46 -15.620   6.423   6.423
  327   3HB   ALA  46          2HB       ALA  46 -14.266   6.328   6.328
  328    H    THR  47           H        THR  47 -13.509   4.449   4.449
  329    HA   THR  47           HA       THR  47 -14.431   5.662   5.662
  330    HB   THR  47           HB       THR  47 -16.510   5.520   5.520
  331    HG1  THR  47           HG1      THR  47 -17.738   4.674   4.674
  332   1HG2  THR  47          2HG2      THR  47 -15.844   3.372   3.372
  333   2HG2  THR  47          1HG2      THR  47 -16.147   2.543   2.543
  334   3HG2  THR  47          3HG2      THR  47 -17.473   3.332   3.332
  335    H    CYS  48           H        CYS  48 -13.970   4.269   4.269
  336    HA   CYS  48           HA       CYS  48 -12.114   2.243   2.243
  337   1HB   CYS  48          2HB       CYS  48 -14.563   2.441   2.441
  338   2HB   CYS  48          1HB       CYS  48 -13.140   1.462   1.462
  339    HA   PRO  49           HA       PRO  49 -14.666  -0.644  -0.644
  340   1HB   PRO  49          2HB       PRO  49 -12.547  -1.971  -1.971
  341   2HB   PRO  49          1HB       PRO  49 -13.177  -0.444  -0.444
  342   1HG   PRO  49          2HG       PRO  49 -10.768  -0.943  -0.943
  343   2HG   PRO  49          1HG       PRO  49 -11.029   0.239   0.239
  344   1HD   PRO  49          2HD       PRO  49 -11.085   0.818   0.818
  345   2HD   PRO  49          1HD       PRO  49 -11.861   1.796   1.796
  346    H    SER  50           H        SER  50 -15.134  -2.858  -2.858
  347    HA   SER  50           HA       SER  50 -13.873  -3.942  -3.942
  348   1HB   SER  50          2HB       SER  50 -16.107  -5.310  -5.310
  349   2HB   SER  50          1HB       SER  50 -15.914  -4.967  -4.967
  350    HG   SER  50           HG       SER  50 -17.456  -3.578  -3.578
  351    H    LYS  51           H        LYS  51 -14.467  -6.698  -6.698
  352    HA   LYS  51           HA       LYS  51 -12.810  -7.341  -7.341
  353   1HB   LYS  51          2HB       LYS  51 -11.696  -7.083  -7.083
  354   2HB   LYS  51          1HB       LYS  51 -12.116  -8.797  -8.797
  355   1HG   LYS  51          2HG       LYS  51  -9.886  -8.569  -8.569
  356   2HG   LYS  51          1HG       LYS  51 -10.977  -9.004  -9.004
  357   1HD   LYS  51          2HD       LYS  51 -11.094  -6.222  -6.222
  358   2HD   LYS  51          1HD       LYS  51  -9.392  -6.579  -6.579
  359   1HE   LYS  51          2HE       LYS  51  -9.493  -8.155  -8.155
  360   2HE   LYS  51          1HE       LYS  51 -11.084  -7.456  -7.456
  361   1HZ   LYS  51          1HZ       LYS  51  -9.919  -5.226  -5.226
  362   2HZ   LYS  51          3HZ       LYS  51  -8.465  -6.085  -6.085
  363   3HZ   LYS  51          2HZ       LYS  51  -9.593  -6.088  -6.088
  364    H    LYS  52           H        LYS  52 -12.501 -10.052 -10.052
  365    HA   LYS  52           HA       LYS  52 -15.182 -11.149 -11.149
  366   1HB   LYS  52          2HB       LYS  52 -13.995 -10.766 -10.766
  367   2HB   LYS  52          1HB       LYS  52 -14.746 -12.337 -12.337
  368   1HG   LYS  52          2HG       LYS  52 -16.454 -10.323 -10.323
  369   2HG   LYS  52          1HG       LYS  52 -16.035  -9.851  -9.851
  370   1HD   LYS  52          2HD       LYS  52 -16.510 -12.521 -12.521
  371   2HD   LYS  52          1HD       LYS  52 -17.660 -12.128 -12.128
  372   1HE   LYS  52          2HE       LYS  52 -19.017 -11.384 -11.384
  373   2HE   LYS  52          1HE       LYS  52 -17.914  -9.998  -9.998
  374   1HZ   LYS  52          1HZ       LYS  52 -16.468 -11.543 -11.543
  375   2HZ   LYS  52          3HZ       LYS  52 -17.836 -12.535 -12.535
  376   3HZ   LYS  52          2HZ       LYS  52 -17.876 -10.946 -10.946
  377    HA   PRO  53           HA       PRO  53 -12.304 -14.875 -14.875
  378   1HB   PRO  53          2HB       PRO  53  -9.829 -14.513 -14.513
  379   2HB   PRO  53          1HB       PRO  53 -11.286 -14.835 -14.835
  380   1HG   PRO  53          2HG       PRO  53  -9.898 -12.255 -12.255
  381   2HG   PRO  53          1HG       PRO  53 -10.654 -12.849 -12.849
  382   1HD   PRO  53          2HD       PRO  53 -11.832 -11.049 -11.049
  383   2HD   PRO  53          1HD       PRO  53 -12.745 -12.180 -12.180
  384    H    TYR  54           H        TYR  54  -9.318 -13.054 -13.054
  385    HA   TYR  54           HA       TYR  54  -9.244 -13.154 -13.154
  386   1HB   TYR  54          2HB       TYR  54  -6.750 -14.008 -14.008
  387   2HB   TYR  54          1HB       TYR  54  -8.097 -15.119 -15.119
  388    HD1  TYR  54           HD2      TYR  54  -7.021 -12.860 -12.860
  389    HD2  TYR  54           HD1      TYR  54  -8.098 -16.834 -16.834
  390    HE1  TYR  54           HE2      TYR  54  -6.824 -13.633 -13.633
  391    HE2  TYR  54           HE1      TYR  54  -7.900 -17.608 -17.608
  392    HH   TYR  54           HH       TYR  54  -8.117 -16.129 -16.129
  393    H    GLU  55           H        GLU  55  -8.972 -11.202 -11.202
  394    HA   GLU  55           HA       GLU  55  -6.449  -9.863  -9.863
  395   1HB   GLU  55          2HB       GLU  55  -8.886  -9.623  -9.623
  396   2HB   GLU  55          1HB       GLU  55  -8.234  -8.049  -8.049
  397   1HG   GLU  55          2HG       GLU  55  -6.915  -8.373  -8.373
  398   2HG   GLU  55          1HG       GLU  55  -5.943  -9.308  -9.308
  399    H    GLU  56           H        GLU  56  -6.491  -7.421  -7.421
  400    HA   GLU  56           HA       GLU  56  -8.468  -6.790  -6.790
  401   1HB   GLU  56          2HB       GLU  56  -6.602  -8.113  -8.113
  402   2HB   GLU  56          1HB       GLU  56  -5.463  -6.898  -6.898
  403   1HG   GLU  56          2HG       GLU  56  -5.947  -5.499  -5.499
  404   2HG   GLU  56          1HG       GLU  56  -7.683  -5.694  -5.694
  405    H    VAL  57           H        VAL  57  -9.028  -4.665  -4.665
  406    HA   VAL  57           HA       VAL  57  -7.007  -2.864  -2.864
  407    HB   VAL  57           HB       VAL  57 -10.030  -2.647  -2.647
  408   1HG1  VAL  57          3HG1      VAL  57  -7.819  -1.049  -1.049
  409   2HG1  VAL  57          2HG1      VAL  57  -8.852  -1.578  -1.578
  410   3HG1  VAL  57          1HG1      VAL  57  -9.542  -0.672  -0.672
  411   1HG2  VAL  57          3HG2      VAL  57  -8.163  -4.353  -4.353
  412   2HG2  VAL  57          2HG2      VAL  57  -9.876  -4.587  -4.587
  413   3HG2  VAL  57          1HG2      VAL  57  -9.379  -3.486  -3.486
  414    H    THR  58           H        THR  58  -7.168  -0.566  -0.566
  415    HA   THR  58           HA       THR  58  -8.457  -0.125  -0.125
  416    HB   THR  58           HB       THR  58  -5.679   0.875   0.875
  417    HG1  THR  58           HG1      THR  58  -6.174  -1.779  -1.779
  418   1HG2  THR  58          2HG2      THR  58  -7.424   0.881   0.881
  419   2HG2  THR  58          1HG2      THR  58  -6.455  -0.548  -0.548
  420   3HG2  THR  58          3HG2      THR  58  -5.673   1.021   1.021
  421    H    CYS  59           H        CYS  59  -7.901   2.399   2.399
  422    HA   CYS  59           HA       CYS  59  -8.171   3.969   3.969
  423   1HB   CYS  59          2HB       CYS  59  -9.999   3.713   3.713
  424   2HB   CYS  59          1HB       CYS  59  -9.810   5.315   5.315
  425    H    CYS  60           H        CYS  60  -8.143   6.357   6.357
  426    HA   CYS  60           HA       CYS  60  -6.895   7.216   7.216
  427   1HB   CYS  60          2HB       CYS  60  -4.723   6.786   6.786
  428   2HB   CYS  60          1HB       CYS  60  -5.220   6.044   6.044
  429    H    SER  61           H        SER  61  -7.394   9.399   9.399
  430    HA   SER  61           HA       SER  61  -8.111  10.854  10.854
  431   1HB   SER  61          2HB       SER  61  -9.590  10.163  10.163
  432   2HB   SER  61          1HB       SER  61  -9.417  11.911  11.911
  433    HG   SER  61           HG       SER  61 -11.233  11.020  11.020
  434    H    THR  62           H        THR  62  -6.156  10.953  10.953
  435    HA   THR  62           HA       THR  62  -5.941  13.845  13.845
  436    HB   THR  62           HB       THR  62  -3.720  12.085  12.085
  437    HG1  THR  62           HG1      THR  62  -4.919  10.856  10.856
  438   1HG2  THR  62          2HG2      THR  62  -4.828  14.580  14.580
  439   2HG2  THR  62          1HG2      THR  62  -5.212  13.520  13.520
  440   3HG2  THR  62          3HG2      THR  62  -3.536  13.733  13.733
  441    H    ASP  63           H        ASP  63  -3.503  14.726  14.726
  442    HA   ASP  63           HA       ASP  63  -2.845  14.709  14.709
  443   1HB   ASP  63          2HB       ASP  63  -1.075  15.510  15.510
  444   2HB   ASP  63          1HB       ASP  63  -1.098  16.198  16.198
  445    H    LYS  64           H        LYS  64  -1.734  13.111  13.111
  446    HA   LYS  64           HA       LYS  64  -0.402  11.168  11.168
  447   1HB   LYS  64          2HB       LYS  64   1.232  12.684  12.684
  448   2HB   LYS  64          1HB       LYS  64   1.854  11.523  11.523
  449   1HG   LYS  64          2HG       LYS  64   2.074  13.174  13.174
  450   2HG   LYS  64          1HG       LYS  64   0.336  13.463  13.463
  451   1HD   LYS  64          2HD       LYS  64   0.763  15.451  15.451
  452   2HD   LYS  64          1HD       LYS  64   1.403  14.583  14.583
  453   1HE   LYS  64          2HE       LYS  64   3.596  14.399  14.399
  454   2HE   LYS  64          1HE       LYS  64   2.902  15.745  15.745
  455   1HZ   LYS  64          3HZ       LYS  64   2.883  15.794  15.794
  456   2HZ   LYS  64          2HZ       LYS  64   4.273  16.279  16.279
  457   3HZ   LYS  64          1HZ       LYS  64   2.801  17.093  17.093
  458    H    CYS  65           H        CYS  65  -2.449  10.532  10.532
  459    HA   CYS  65           HA       CYS  65  -1.328   9.378   9.378
  460   1HB   CYS  65          2HB       CYS  65  -3.810   8.704   8.704
  461   2HB   CYS  65          1HB       CYS  65  -3.399  10.410  10.410
  462    H    ASN  66           H        ASN  66  -0.534   8.324   8.324
  463    HA   ASN  66           HA       ASN  66  -1.664   5.554   5.554
  464   1HB   ASN  66          2HB       ASN  66  -1.041   7.423   7.423
  465   2HB   ASN  66          1HB       ASN  66  -0.194   5.895   5.895
  466   1HD2  ASN  66          2HD2      ASN  66  -4.202   5.317   5.317
  467   2HD2  ASN  66          1HD2      ASN  66  -3.299   6.134   6.134
  468    HA   PRO  67           HA       PRO  67   3.091   5.735   5.735
  469   1HB   PRO  67          2HB       PRO  67   3.341   5.961   5.961
  470   2HB   PRO  67          1HB       PRO  67   3.298   7.368   7.368
  471   1HG   PRO  67          2HG       PRO  67   1.157   6.234   6.234
  472   2HG   PRO  67          1HG       PRO  67   1.527   7.923   7.923
  473   1HD   PRO  67          2HD       PRO  67  -0.501   6.485   6.485
  474   2HD   PRO  67          1HD       PRO  67   0.286   7.898   7.898
  475    H    HIS  68           H        HIS  68   3.890   3.699   3.699
  476    HA   HIS  68           HA       HIS  68   2.654   1.709   1.709
  477   1HB   HIS  68          2HB       HIS  68   2.905   0.073   0.073
  478   2HB   HIS  68          1HB       HIS  68   2.168   1.487   1.487
  479    HD1  HIS  68           HD1      HIS  68   5.325  -0.514  -0.514
  480    HD2  HIS  68           HD2      HIS  68   3.860   2.921   2.921
  481    HE1  HIS  68           HE1      HIS  68   6.977   0.071   0.071
  482    HA   PRO  69           HA       PRO  69   6.719   0.929   0.929
  483   1HB   PRO  69          2HB       PRO  69   7.038  -1.801  -1.801
  484   2HB   PRO  69          1HB       PRO  69   6.031  -1.020  -1.020
  485   1HG   PRO  69          2HG       PRO  69   5.210  -2.249  -2.249
  486   2HG   PRO  69          1HG       PRO  69   4.466  -2.407  -2.407
  487   1HD   PRO  69          2HD       PRO  69   3.437  -0.761  -0.761
  488   2HD   PRO  69          1HD       PRO  69   3.456  -0.314  -0.314
  489    H    LYS  70           H        LYS  70   7.681   2.039   2.039
  490    HA   LYS  70           HA       LYS  70   8.452   0.591   0.591
  491   1HB   LYS  70          2HB       LYS  70   8.985   3.367   3.367
  492   2HB   LYS  70          1HB       LYS  70   9.380   2.850   2.850
  493   1HG   LYS  70          2HG       LYS  70   7.232   3.043   3.043
  494   2HG   LYS  70          1HG       LYS  70   6.614   2.253   2.253
  495   1HD   LYS  70          2HD       LYS  70   5.801   4.521   4.521
  496   2HD   LYS  70          1HD       LYS  70   7.057   4.401   4.401
  497   1HE   LYS  70          2HE       LYS  70   8.136   5.095   5.095
  498   2HE   LYS  70          1HE       LYS  70   7.003   6.305   6.305
  499   1HZ   LYS  70          2HZ       LYS  70   8.773   5.188   5.188
  500   2HZ   LYS  70          1HZ       LYS  70   9.577   6.074   6.074
  501   3HZ   LYS  70          3HZ       LYS  70   8.354   6.809   6.809
  502    H    GLN  71           H        GLN  71  10.628   2.801   2.801
  503    HA   GLN  71           HA       GLN  71  12.908   1.102   1.102
  504   1HB   GLN  71          2HB       GLN  71  12.263   3.703   3.703
  505   2HB   GLN  71          1HB       GLN  71  13.835   2.967   2.967
  506   1HG   GLN  71          2HG       GLN  71  14.565   3.788   3.788
  507   2HG   GLN  71          1HG       GLN  71  13.401   2.750   2.750
  508   1HE2  GLN  71          2HE2      GLN  71  11.109   5.383   5.383
  509   2HE2  GLN  71          1HE2      GLN  71  11.336   3.702   3.702
  510    H    ARG  72           H        ARG  72  12.237  -0.885  -0.885
  511    HA   ARG  72           HA       ARG  72  12.441  -0.639  -0.639
  512   1HB   ARG  72          2HB       ARG  72  10.631  -2.019  -2.019
  513   2HB   ARG  72          1HB       ARG  72  11.254  -3.074  -3.074
  514   1HG   ARG  72          2HG       ARG  72  10.593  -0.590  -0.590
  515   2HG   ARG  72          1HG       ARG  72   9.228  -1.053  -1.053
  516   1HD   ARG  72          2HD       ARG  72   9.579  -3.430  -3.430
  517   2HD   ARG  72          1HD       ARG  72  10.398  -2.503  -2.503
  518    HE   ARG  72           HE       ARG  72   7.777  -1.457  -1.457
  519   1HH1  ARG  72          2HH1      ARG  72   9.498  -1.250  -1.250
  520   2HH1  ARG  72          1HH1      ARG  72   8.406  -2.032  -2.032
  521   1HH2  ARG  72          1HH2      ARG  72   6.414  -3.352  -3.352
  522   2HH2  ARG  72          2HH2      ARG  72   6.660  -3.221  -3.221
  523    HA   PRO  73           HA       PRO  73  16.063  -3.122  -3.122
  524   1HB   PRO  73          2HB       PRO  73  16.233  -3.990  -3.990
  525   2HB   PRO  73          1HB       PRO  73  16.648  -2.336  -2.336
  526   1HG   PRO  73          2HG       PRO  73  14.178  -3.359  -3.359
  527   2HG   PRO  73          1HG       PRO  73  15.040  -1.834  -1.834
  528   1HD   PRO  73          2HD       PRO  73  12.755  -2.065  -2.065
  529   2HD   PRO  73          1HD       PRO  73  13.974  -0.795  -0.795
  530    H    GLY  74           HN       GLY  74  16.591  -5.365  -5.365
  531   1HA   GLY  74          2HA       GLY  74  14.621  -7.198  -7.198
  532   2HA   GLY  74          1HA       GLY  74  16.198  -7.690  -7.690
  533   1H    MET   1          3H        MET  75  11.984  -5.707  -5.707
  534   2H    MET   1          2H        MET  75  13.444  -6.222  -6.222
  535   3H    MET   1          1H        MET  75  13.460  -5.120  -5.120
  536    HA   MET   1           HA       MET  75  13.403  -3.422  -3.422
  537   1HB   MET   1          2HB       MET  75  13.045  -5.629  -5.629
  538   2HB   MET   1          1HB       MET  75  13.600  -3.990  -3.990
  539   1HG   MET   1          2HG       MET  75  15.704  -4.456  -4.456
  540   2HG   MET   1          1HG       MET  75  15.131  -5.256  -5.256
  541   1HE   MET   1          2HE       MET  75  17.132  -6.484  -6.484
  542   2HE   MET   1          1HE       MET  75  16.122  -7.866  -7.866
  543   3HE   MET   1          3HE       MET  75  17.321  -8.000  -8.000
  544    H    ARG   2           H        ARG  76  11.930  -2.686  -2.686
  545    HA   ARG   2           HA       ARG  76   9.736  -2.149  -2.149
  546   1HB   ARG   2          2HB       ARG  76   9.695  -4.842  -4.842
  547   2HB   ARG   2          1HB       ARG  76   8.258  -4.073  -4.073
  548   1HG   ARG   2          2HG       ARG  76   8.658  -3.260  -3.260
  549   2HG   ARG   2          1HG       ARG  76   8.571  -5.016  -5.016
  550   1HD   ARG   2          2HD       ARG  76   6.403  -4.969  -4.969
  551   2HD   ARG   2          1HD       ARG  76   6.560  -3.275  -3.275
  552    HE   ARG   2           HE       ARG  76   6.253  -2.592  -2.592
  553   1HH1  ARG   2          2HH1      ARG  76   7.702  -5.039  -5.039
  554   2HH1  ARG   2          1HH1      ARG  76   6.399  -5.824  -5.824
  555   1HH2  ARG   2          1HH2      ARG  76   3.925  -4.014  -4.014
  556   2HH2  ARG   2          2HH2      ARG  76   4.261  -5.244  -5.244
  557    H    TYR   3           H        TYR  77   7.461  -1.695  -1.695
  558    HA   TYR   3           HA       TYR  77   7.981  -0.348  -0.348
  559   1HB   TYR   3          2HB       TYR  77   5.322  -0.046  -0.046
  560   2HB   TYR   3          1HB       TYR  77   6.445   1.202   1.202
  561    HD1  TYR   3           HD1      TYR  77   8.157   2.078   2.078
  562    HD2  TYR   3           HD2      TYR  77   5.281  -0.850  -0.850
  563    HE1  TYR   3           HE1      TYR  77   8.679   2.590   2.590
  564    HE2  TYR   3           HE2      TYR  77   5.798  -0.339  -0.339
  565    HH   TYR   3           HH       TYR  77   6.745   1.434   1.434
  566    H    TYR   4           H        TYR  78   7.963  -3.117  -3.117
  567    HA   TYR   4           HA       TYR  78   5.444  -4.386  -4.386
  568   1HB   TYR   4          2HB       TYR  78   8.236  -4.936  -4.936
  569   2HB   TYR   4          1HB       TYR  78   7.580  -5.560  -5.560
  570    HD1  TYR   4           HD1      TYR  78   6.348  -5.375  -5.375
  571    HD2  TYR   4           HD2      TYR  78   7.095  -7.801  -7.801
  572    HE1  TYR   4           HE1      TYR  78   5.450  -7.361  -7.361
  573    HE2  TYR   4           HE2      TYR  78   6.204  -9.781  -9.781
  574    HH   TYR   4           HH       TYR  78   4.706 -10.286 -10.286
  575    H    GLU   5           H        GLU  79   5.755  -5.712  -5.712
  576    HA   GLU   5           HA       GLU  79   4.932  -3.621  -3.621
  577   1HB   GLU   5          2HB       GLU  79   3.454  -5.509  -5.509
  578   2HB   GLU   5          1HB       GLU  79   4.759  -6.648  -6.648
  579   1HG   GLU   5          2HG       GLU  79   4.403  -6.520  -6.520
  580   2HG   GLU   5          1HG       GLU  79   4.447  -4.757  -4.757
  581    H    SER   6           H        SER  80   7.759  -3.813  -3.813
  582    HA   SER   6           HA       SER  80   8.929  -3.734  -3.734
  583   1HB   SER   6          2HB       SER  80   8.292  -6.385  -6.385
  584   2HB   SER   6          1HB       SER  80  10.039  -6.229  -6.229
  585    HG   SER   6           HG       SER  80   9.304  -5.125  -5.125
  586    H    SER   7           H        SER  81   9.167  -2.578  -2.578
  587    HA   SER   7           HA       SER  81  11.992  -2.211  -2.211
  588   1HB   SER   7          2HB       SER  81  11.230  -4.719  -4.719
  589   2HB   SER   7          1HB       SER  81  11.250  -3.831  -3.831
  590    HG   SER   7           HG       SER  81  13.309  -4.647  -4.647
  591    H    LEU   8           H        LEU  82  12.567  -0.795  -0.795
  592    HA   LEU   8           HA       LEU  82  10.293   0.132   0.132
  593   1HB   LEU   8          2HB       LEU  82  10.803   1.412   1.412
  594   2HB   LEU   8          1HB       LEU  82  12.159   2.076   2.076
  595    HG   LEU   8           HG       LEU  82  10.187   3.536   3.536
  596   1HD1  LEU   8          2HD1      LEU  82  11.846   2.862   2.862
  597   2HD1  LEU   8          1HD1      LEU  82  10.370   2.212   2.212
  598   3HD1  LEU   8          3HD1      LEU  82  10.470   3.924   3.924
  599   1HD2  LEU   8          1HD2      LEU  82   8.597   1.482   1.482
  600   2HD2  LEU   8          3HD2      LEU  82   8.106   2.791   2.791
  601   3HD2  LEU   8          2HD2      LEU  82   8.804   1.316   1.316
  602    H    LYS   9           H        LYS  83  11.508  -0.997  -0.997
  603    HA   LYS   9           HA       LYS  83  13.671   0.716   0.716
  604   1HB   LYS   9          2HB       LYS  83  14.046  -2.267  -2.267
  605   2HB   LYS   9          1HB       LYS  83  15.265  -0.998  -0.998
  606   1HG   LYS   9          2HG       LYS  83  14.832  -0.400  -0.400
  607   2HG   LYS   9          1HG       LYS  83  13.577  -1.638  -1.638
  608   1HD   LYS   9          2HD       LYS  83  15.261  -2.972  -2.972
  609   2HD   LYS   9          1HD       LYS  83  15.684  -3.093  -3.093
  610   1HE   LYS   9          2HE       LYS  83  17.078  -0.934  -0.934
  611   2HE   LYS   9          1HE       LYS  83  16.932  -1.345  -1.345
  612   1HZ   LYS   9          1HZ       LYS  83  17.703  -3.376  -3.376
  613   2HZ   LYS   9          3HZ       LYS  83  18.869  -2.370  -2.370
  614   3HZ   LYS   9          2HZ       LYS  83  17.937  -3.404  -3.404
  615    H    SER  10           H        SER  84  11.459   0.974   0.974
  616    HA   SER  10           HA       SER  84   9.965  -0.468  -0.468
  617   1HB   SER  10          2HB       SER  84  10.494   1.970   1.970
  618   2HB   SER  10          1HB       SER  84  11.912   1.524   1.524
  619    HG   SER  10           HG       SER  84   9.652   1.957   1.957
  620    H    TYR  11           H        TYR  85  10.865  -2.665  -2.665
  621    HA   TYR  11           HA       TYR  85  13.009  -3.009  -3.009
  622   1HB   TYR  11          2HB       TYR  85  13.700  -4.836  -4.836
  623   2HB   TYR  11          1HB       TYR  85  12.975  -3.866  -3.866
  624    HD1  TYR  11           HD2      TYR  85  12.166  -6.550  -6.550
  625    HD2  TYR  11           HD1      TYR  85  11.234  -4.765  -4.765
  626    HE1  TYR  11           HE2      TYR  85  10.587  -8.399  -8.399
  627    HE2  TYR  11           HE1      TYR  85   9.658  -6.621  -6.621
  628    HH   TYR  11           HH       TYR  85   8.401  -8.579  -8.579
  629    HA   PRO  12           HA       PRO  86   9.693  -4.465  -4.465
  630   1HB   PRO  12          2HB       PRO  86  11.253  -5.173  -5.173
  631   2HB   PRO  12          1HB       PRO  86  10.823  -3.490  -3.490
  632   1HG   PRO  12          2HG       PRO  86  13.352  -4.958  -4.958
  633   2HG   PRO  12          1HG       PRO  86  13.105  -3.277  -3.277
  634   1HD   PRO  12          2HD       PRO  86  13.673  -4.043  -4.043
  635   2HD   PRO  12          1HD       PRO  86  12.793  -2.557  -2.557
  636    H    ASP  13           HN       ASP  87   9.013  -6.557  -6.557
  637    HA   ASP  13           HA       ASP  87   9.970  -8.830  -8.830
  638   1HB   ASP  13          2HB       ASP  87   8.060  -8.547  -8.547
  639   2HB   ASP  13          1HB       ASP  87   8.224  -9.997  -9.997

  Start of MODEL   16
    1   1H    ILE   1          1H        ILE   1   8.668  14.517  14.517
    2   2H    ILE   1          3H        ILE   1   9.057  13.151  13.151
    3   3H    ILE   1          2H        ILE   1   9.490  14.699  14.699
    4    HA   ILE   1           HA       ILE   1   7.209  15.297  15.297
    5    HB   ILE   1           HB       ILE   1   6.785  13.634  13.634
    6   1HG1  ILE   1          2HG1      ILE   1   9.043  12.018  12.018
    7   2HG1  ILE   1          1HG1      ILE   1   7.348  11.677  11.677
    8   1HG2  ILE   1          2HG2      ILE   1   9.025  15.215  15.215
    9   2HG2  ILE   1          1HG2      ILE   1   9.725  13.636  13.636
   10   3HG2  ILE   1          3HG2      ILE   1   8.572  14.363  14.363
   11   1HD1  ILE   1          1HD1      ILE   1   8.407  11.869  11.869
   12   2HD1  ILE   1          3HD1      ILE   1   8.377  10.351  10.351
   13   3HD1  ILE   1          2HD1      ILE   1   6.869  11.193  11.193
   14    H    VAL   2           H        VAL   2   5.005  13.939  13.939
   15    HA   VAL   2           HA       VAL   2   4.281  12.754  12.754
   16    HB   VAL   2           HB       VAL   2   2.493  13.654  13.654
   17   1HG1  VAL   2          1HG1      VAL   2   1.902  12.352  12.352
   18   2HG1  VAL   2          3HG1      VAL   2   1.722  14.037  14.037
   19   3HG1  VAL   2          2HG1      VAL   2   0.784  13.406  13.406
   20   1HG2  VAL   2          2HG2      VAL   2   4.037  15.231  15.231
   21   2HG2  VAL   2          1HG2      VAL   2   3.620  15.648  15.648
   22   3HG2  VAL   2          3HG2      VAL   2   2.402  15.765  15.765
   23    H    CYS   3           H        CYS   3   2.958  10.821  10.821
   24    HA   CYS   3           HA       CYS   3   2.907   9.249   9.249
   25   1HB   CYS   3          2HB       CYS   3   3.767   8.128   8.128
   26   2HB   CYS   3          1HB       CYS   3   3.978   7.438   7.438
   27    H    HIS   4           H        HIS   4   1.352   7.423   7.423
   28    HA   HIS   4           HA       HIS   4  -1.000   8.091   8.091
   29   1HB   HIS   4          2HB       HIS   4  -0.612   5.902   5.902
   30   2HB   HIS   4          1HB       HIS   4  -2.131   6.538   6.538
   31    HD1  HIS   4           HD1      HIS   4  -1.781   9.497   9.497
   32    HD2  HIS   4           HD2      HIS   4  -0.458   6.865   6.865
   33    HE1  HIS   4           HE1      HIS   4  -1.626  10.838  10.838
   34    H    THR   5           H        THR   5  -1.907   6.555   6.555
   35    HA   THR   5           HA       THR   5  -0.036   4.313   4.313
   36    HB   THR   5           HB       THR   5   0.031   4.924   4.924
   37    HG1  THR   5           HG1      THR   5  -2.127   4.487   4.487
   38   1HG2  THR   5          3HG2      THR   5   0.293   7.101   7.101
   39   2HG2  THR   5          2HG2      THR   5  -1.121   7.609   7.609
   40   3HG2  THR   5          1HG2      THR   5   0.376   7.194   7.194
   41    H    THR   6           H        THR   6  -1.049   2.600   2.600
   42    HA   THR   6           HA       THR   6  -3.982   2.263   2.263
   43    HB   THR   6           HB       THR   6  -2.854  -0.090  -0.090
   44    HG1  THR   6           HG1      THR   6  -0.827   1.062   1.062
   45   1HG2  THR   6          2HG2      THR   6  -4.718   1.555   1.555
   46   2HG2  THR   6          1HG2      THR   6  -3.424   2.192   2.192
   47   3HG2  THR   6          3HG2      THR   6  -3.897   0.499   0.499
   48    H    ALA   7           H        ALA   7  -0.985   1.585   1.585
   49    HA   ALA   7           HA       ALA   7  -1.980  -0.739  -0.739
   50   1HB   ALA   7          1HB       ALA   7   0.566   0.596   0.596
   51   2HB   ALA   7          3HB       ALA   7   0.517  -0.208  -0.208
   52   3HB   ALA   7          2HB       ALA   7   0.192  -1.131  -1.131
   53    H    THR   8           H        THR   8  -0.893   2.583   2.583
   54    HA   THR   8           HA       THR   8  -1.670   2.066   2.066
   55    HB   THR   8           HB       THR   8  -0.665   4.526   4.526
   56    HG1  THR   8           HG1      THR   8   0.921   4.606   4.606
   57   1HG2  THR   8          1HG2      THR   8   0.325   1.963   1.963
   58   2HG2  THR   8          3HG2      THR   8   1.513   2.696   2.696
   59   3HG2  THR   8          2HG2      THR   8   1.122   3.467   3.467
   60    H    SER   9           H        SER   9  -1.911   5.317   5.317
   61    HA   SER   9           HA       SER   9  -4.652   5.559   5.559
   62   1HB   SER   9          2HB       SER   9  -3.198   7.362   7.362
   63   2HB   SER   9          1HB       SER   9  -4.383   7.817   7.817
   64    HG   SER   9           HG       SER   9  -2.148   8.244   8.244
   65    HA   PRO  10           HA       PRO  10  -6.795   4.284   4.284
   66   1HB   PRO  10          2HB       PRO  10  -8.569   6.303   6.303
   67   2HB   PRO  10          1HB       PRO  10  -8.768   5.124   5.124
   68   1HG   PRO  10          2HG       PRO  10  -7.743   7.923   7.923
   69   2HG   PRO  10          1HG       PRO  10  -8.808   7.072   7.072
   70   1HD   PRO  10          2HD       PRO  10  -6.171   7.444   7.444
   71   2HD   PRO  10          1HD       PRO  10  -7.056   6.013   6.013
   72    H    ILE  11           H        ILE  11  -6.599   4.382   4.382
   73    HA   ILE  11           HA       ILE  11  -4.579   5.414   5.414
   74    HB   ILE  11           HB       ILE  11  -7.148   4.399   4.399
   75   1HG1  ILE  11          2HG1      ILE  11  -4.489   4.728   4.728
   76   2HG1  ILE  11          1HG1      ILE  11  -5.358   3.255   3.255
   77   1HG2  ILE  11          3HG2      ILE  11  -6.457   6.807   6.807
   78   2HG2  ILE  11          2HG2      ILE  11  -7.672   5.597   5.597
   79   3HG2  ILE  11          1HG2      ILE  11  -7.892   6.619   6.619
   80   1HD1  ILE  11          3HD1      ILE  11  -7.010   3.848   3.848
   81   2HD1  ILE  11          2HD1      ILE  11  -5.851   5.085   5.085
   82   3HD1  ILE  11          1HD1      ILE  11  -5.393   3.382   3.382
   83    H    SER  12           H        SER  12  -3.689   7.315   7.315
   84    HA   SER  12           HA       SER  12  -4.985   9.718   9.718
   85   1HB   SER  12          2HB       SER  12  -5.146  10.894  10.894
   86   2HB   SER  12          1HB       SER  12  -5.860   9.314   9.314
   87    HG   SER  12           HG       SER  12  -4.381   9.819   9.819
   88    H    ALA  13           H        ALA  13  -3.338  11.205  11.205
   89    HA   ALA  13           HA       ALA  13  -0.596  10.179  10.179
   90   1HB   ALA  13          3HB       ALA  13  -2.091  11.747  11.747
   91   2HB   ALA  13          2HB       ALA  13  -0.705  12.696  12.696
   92   3HB   ALA  13          1HB       ALA  13  -0.457  11.106  11.106
   93    H    VAL  14           H        VAL  14   0.147  10.658  10.658
   94    HA   VAL  14           HA       VAL  14   0.047  13.559  13.559
   95    HB   VAL  14           HB       VAL  14  -0.327  12.990  12.990
   96   1HG1  VAL  14          2HG1      VAL  14  -2.084  12.035  12.035
   97   2HG1  VAL  14          1HG1      VAL  14  -1.478  10.467  10.467
   98   3HG1  VAL  14          3HG1      VAL  14  -2.178  11.585  11.585
   99   1HG2  VAL  14          2HG2      VAL  14   1.674  11.557  11.557
  100   2HG2  VAL  14          1HG2      VAL  14   0.276  10.819  10.819
  101   3HG2  VAL  14          3HG2      VAL  14   0.808  10.233  10.233
  102    H    THR  15           H        THR  15   1.934  14.470  14.470
  103    HA   THR  15           HA       THR  15   4.411  13.481  13.481
  104    HB   THR  15           HB       THR  15   4.033  15.310  15.310
  105    HG1  THR  15           HG1      THR  15   3.937  16.234  16.234
  106   1HG2  THR  15          2HG2      THR  15   6.085  14.854  14.854
  107   2HG2  THR  15          1HG2      THR  15   5.866  16.503  16.503
  108   3HG2  THR  15          3HG2      THR  15   6.305  15.215  15.215
  109    H    CYS  16           H        CYS  16   6.220  12.540  12.540
  110    HA   CYS  16           HA       CYS  16   5.305  11.108  11.108
  111   1HB   CYS  16          2HB       CYS  16   6.808  10.371  10.371
  112   2HB   CYS  16          1HB       CYS  16   7.454   9.708   9.708
  113    HA   PRO  17           HA       PRO  17   8.562  12.788  12.788
  114   1HB   PRO  17          2HB       PRO  17   9.644  10.590  10.590
  115   2HB   PRO  17          1HB       PRO  17   8.057  11.261  11.261
  116   1HG   PRO  17          2HG       PRO  17   8.727   8.920   8.920
  117   2HG   PRO  17          1HG       PRO  17   7.432   9.109   9.109
  118   1HD   PRO  17          2HD       PRO  17   7.012   9.316   9.316
  119   2HD   PRO  17          1HD       PRO  17   6.058  10.218  10.218
  120    HA   PRO  18           HA       PRO  18  12.511  12.519  12.519
  121   1HB   PRO  18          2HB       PRO  18  14.305  12.319  12.319
  122   2HB   PRO  18          1HB       PRO  18  13.444  13.820  13.820
  123   1HG   PRO  18          2HG       PRO  18  12.830  11.793  11.793
  124   2HG   PRO  18          1HG       PRO  18  12.791  13.562  13.562
  125   1HD   PRO  18          2HD       PRO  18  10.549  12.106  12.106
  126   2HD   PRO  18          1HD       PRO  18  10.734  13.709  13.709
  127    H    GLY  19           H        GLY  19  13.913  10.953  10.953
  128   1HA   GLY  19          2HA       GLY  19  15.207   8.820   8.820
  129   2HA   GLY  19          1HA       GLY  19  13.694   8.224   8.224
  130    H    GLU  20           H        GLU  20  11.761   8.462   8.462
  131    HA   GLU  20           HA       GLU  20  12.385   6.901   6.901
  132   1HB   GLU  20          2HB       GLU  20   9.986   8.416   8.416
  133   2HB   GLU  20          1HB       GLU  20   9.919   7.477   7.477
  134   1HG   GLU  20          2HG       GLU  20   9.261   5.858   5.858
  135   2HG   GLU  20          1HG       GLU  20  11.007   5.602   5.602
  136    H    ASN  21           H        ASN  21  13.628   7.896   7.896
  137    HA   ASN  21           HA       ASN  21  13.457  10.726  10.726
  138   1HB   ASN  21          2HB       ASN  21  14.617   8.500   8.500
  139   2HB   ASN  21          1HB       ASN  21  15.147  10.179  10.179
  140   1HD2  ASN  21          2HD2      ASN  21  16.083   9.173   9.173
  141   2HD2  ASN  21          1HD2      ASN  21  14.666   9.936   9.936
  142    H    LEU  22           H        LEU  22  11.599   7.978   7.978
  143    HA   LEU  22           HA       LEU  22  10.097   9.658   9.658
  144   1HB   LEU  22          2HB       LEU  22  10.418   8.040   8.040
  145   2HB   LEU  22          1HB       LEU  22  11.980   8.635   8.635
  146    HG   LEU  22           HG       LEU  22  11.313   6.381   6.381
  147   1HD1  LEU  22          2HD1      LEU  22   9.927   6.119   6.119
  148   2HD1  LEU  22          1HD1      LEU  22  11.463   5.371   5.371
  149   3HD1  LEU  22          3HD1      LEU  22  10.539   4.754   4.754
  150   1HD2  LEU  22          3HD2      LEU  22  13.360   7.145   7.145
  151   2HD2  LEU  22          2HD2      LEU  22  13.580   6.764   6.764
  152   3HD2  LEU  22          1HD2      LEU  22  13.300   5.468   5.468
  153    H    CYS  23           H        CYS  23   8.459   7.862   7.862
  154    HA   CYS  23           HA       CYS  23   7.028   6.659   6.659
  155   1HB   CYS  23          2HB       CYS  23   6.178   7.119   7.119
  156   2HB   CYS  23          1HB       CYS  23   5.122   6.824   6.824
  157    H    TYR  24           H        TYR  24   5.741   4.576   4.576
  158    HA   TYR  24           HA       TYR  24   7.287   2.967   2.967
  159   1HB   TYR  24          2HB       TYR  24   7.998   1.354   1.354
  160   2HB   TYR  24          1HB       TYR  24   8.371   2.906   2.906
  161    HD1  TYR  24           HD2      TYR  24   6.050   0.046   0.046
  162    HD2  TYR  24           HD1      TYR  24   7.136   3.700   3.700
  163    HE1  TYR  24           HE2      TYR  24   4.571  -0.535  -0.535
  164    HE2  TYR  24           HE1      TYR  24   5.661   3.135   3.135
  165    HH   TYR  24           HH       TYR  24   4.656   0.303   0.303
  166    H    ARG  25           H        ARG  25   6.126   1.160   1.160
  167    HA   ARG  25           HA       ARG  25   3.307   1.026   1.026
  168   1HB   ARG  25          2HB       ARG  25   4.280   0.135   0.135
  169   2HB   ARG  25          1HB       ARG  25   2.645   0.579   0.579
  170   1HG   ARG  25          2HG       ARG  25   3.042   2.690   2.690
  171   2HG   ARG  25          1HG       ARG  25   4.319   2.819   2.819
  172   1HD   ARG  25          2HD       ARG  25   5.977   2.530   2.530
  173   2HD   ARG  25          1HD       ARG  25   5.053   1.303   1.303
  174    HE   ARG  25           HE       ARG  25   4.301   4.194   4.194
  175   1HH1  ARG  25          2HH1      ARG  25   2.495   2.574   2.574
  176   2HH1  ARG  25          1HH1      ARG  25   3.230   2.422   2.422
  177   1HH2  ARG  25          1HH2      ARG  25   6.376   3.384   3.384
  178   2HH2  ARG  25          2HH2      ARG  25   5.427   2.881   2.881
  179    H    LYS  26           H        LYS  26   3.069  -0.881  -0.881
  180    HA   LYS  26           HA       LYS  26   4.747  -3.220  -3.220
  181   1HB   LYS  26          2HB       LYS  26   3.997  -2.015  -2.015
  182   2HB   LYS  26          1HB       LYS  26   3.418  -3.673  -3.673
  183   1HG   LYS  26          2HG       LYS  26   5.599  -4.530  -4.530
  184   2HG   LYS  26          1HG       LYS  26   6.239  -2.926  -2.926
  185   1HD   LYS  26          2HD       LYS  26   4.995  -3.265  -3.265
  186   2HD   LYS  26          1HD       LYS  26   6.521  -4.110  -4.110
  187   1HE   LYS  26          2HE       LYS  26   6.760  -1.464  -1.464
  188   2HE   LYS  26          1HE       LYS  26   6.156  -1.344  -1.344
  189   1HZ   LYS  26          2HZ       LYS  26   8.204  -3.348  -3.348
  190   2HZ   LYS  26          1HZ       LYS  26   8.728  -1.741  -1.741
  191   3HZ   LYS  26          3HZ       LYS  26   8.013  -2.260  -2.260
  192    H    MET  27           H        MET  27   3.697  -5.319  -5.319
  193    HA   MET  27           HA       MET  27   0.757  -5.372  -5.372
  194   1HB   MET  27          2HB       MET  27   2.495  -5.263  -5.263
  195   2HB   MET  27          1HB       MET  27   1.575  -6.767  -6.767
  196   1HG   MET  27          2HG       MET  27  -0.383  -5.706  -5.706
  197   2HG   MET  27          1HG       MET  27  -0.023  -4.410  -4.410
  198   1HE   MET  27          3HE       MET  27  -1.216  -4.966  -4.966
  199   2HE   MET  27          2HE       MET  27  -1.462  -3.250  -3.250
  200   3HE   MET  27          1HE       MET  27  -0.644  -3.759  -3.759
  201    H    TRP  28           H        TRP  28   0.048  -7.171  -7.171
  202    HA   TRP  28           HA       TRP  28   1.515  -9.674  -9.674
  203   1HB   TRP  28          2HB       TRP  28   1.957  -9.685  -9.685
  204   2HB   TRP  28          1HB       TRP  28   2.923  -8.548  -8.548
  205    HD1  TRP  28           HD1      TRP  28  -0.740  -8.013  -8.013
  206    HE1  TRP  28           HE1      TRP  28  -0.770  -5.930  -5.930
  207    HE3  TRP  28           HE3      TRP  28   4.208  -7.065  -7.065
  208    HZ2  TRP  28           HZ2      TRP  28   1.094  -4.110  -4.110
  209    HZ3  TRP  28           HZ3      TRP  28   5.103  -5.155  -5.155
  210    HH2  TRP  28           HH2      TRP  28   3.544  -3.672  -3.672
  211    H    CYS  29           H        CYS  29   0.624 -11.005 -11.005
  212    HA   CYS  29           HA       CYS  29  -2.311 -11.054 -11.054
  213   1HB   CYS  29          2HB       CYS  29  -0.392 -12.927 -12.927
  214   2HB   CYS  29          1HB       CYS  29  -2.083 -13.274 -13.274
  215    H    ASP  30           H        ASP  30  -3.696 -10.211 -10.211
  216    HA   ASP  30           HA       ASP  30  -2.703  -9.005  -9.005
  217   1HB   ASP  30          2HB       ASP  30  -4.789  -8.563  -8.563
  218   2HB   ASP  30          1HB       ASP  30  -5.584  -9.698  -9.698
  219    H    ALA  31           H        ALA  31  -5.200 -10.019 -10.019
  220    HA   ALA  31           HA       ALA  31  -4.131 -11.758 -11.758
  221   1HB   ALA  31          3HB       ALA  31  -6.436 -10.686 -10.686
  222   2HB   ALA  31          2HB       ALA  31  -6.918 -12.027 -12.027
  223   3HB   ALA  31          1HB       ALA  31  -6.416 -12.335 -12.335
  224    H    PHE  32           H        PHE  32  -6.193 -13.018 -13.018
  225    HA   PHE  32           HA       PHE  32  -4.395 -15.420 -15.420
  226   1HB   PHE  32          2HB       PHE  32  -7.249 -15.086 -15.086
  227   2HB   PHE  32          1HB       PHE  32  -6.952 -16.235 -16.235
  228    HD1  PHE  32           HD1      PHE  32  -5.013 -15.386 -15.386
  229    HD2  PHE  32           HD2      PHE  32  -7.085 -18.405 -18.405
  230    HE1  PHE  32           HE1      PHE  32  -4.317 -17.095 -17.095
  231    HE2  PHE  32           HE2      PHE  32  -6.390 -20.114 -20.114
  232    HZ   PHE  32           HZ       PHE  32  -5.006 -19.459 -19.459
  233    H    CYS  33           H        CYS  33  -3.354 -15.154 -15.154
  234    HA   CYS  33           HA       CYS  33  -4.124 -13.702 -13.702
  235   1HB   CYS  33          2HB       CYS  33  -2.006 -15.119 -15.119
  236   2HB   CYS  33          1HB       CYS  33  -2.837 -16.414 -16.414
  237    H    SER  34           H        SER  34  -6.399 -13.896 -13.896
  238    HA   SER  34           HA       SER  34  -7.508 -16.571 -16.571
  239   1HB   SER  34          2HB       SER  34  -8.830 -13.859 -13.859
  240   2HB   SER  34          1HB       SER  34  -9.601 -15.420 -15.420
  241    HG   SER  34           HG       SER  34  -8.975 -13.788 -13.788
  242    H    SER  35           H        SER  35  -9.284 -15.939 -15.939
  243    HA   SER  35           HA       SER  35  -7.505 -15.855 -15.855
  244   1HB   SER  35          2HB       SER  35  -9.324 -17.428 -17.428
  245   2HB   SER  35          1HB       SER  35 -10.483 -16.171 -16.171
  246    HG   SER  35           HG       SER  35 -10.192 -16.937 -16.937
  247    H    ARG  36           H        ARG  36  -8.791 -13.470 -13.470
  248    HA   ARG  36           HA       ARG  36  -9.792 -11.642 -11.642
  249   1HB   ARG  36          2HB       ARG  36  -9.379 -11.777 -11.777
  250   2HB   ARG  36          1HB       ARG  36  -9.193 -10.159 -10.159
  251   1HG   ARG  36          2HG       ARG  36 -11.552 -10.721 -10.721
  252   2HG   ARG  36          1HG       ARG  36 -11.391 -10.249 -10.249
  253   1HD   ARG  36          2HD       ARG  36 -11.463 -12.568 -12.568
  254   2HD   ARG  36          1HD       ARG  36 -11.427 -13.132 -13.132
  255    HE   ARG  36           HE       ARG  36 -13.614 -11.821 -11.821
  256   1HH1  ARG  36          2HH1      ARG  36 -14.378 -10.518 -10.518
  257   2HH1  ARG  36          1HH1      ARG  36 -15.127 -11.685 -11.685
  258   1HH2  ARG  36          1HH2      ARG  36 -13.769 -14.416 -14.416
  259   2HH2  ARG  36          2HH2      ARG  36 -14.782 -13.893 -13.893
  260    H    GLY  37           H        GLY  37  -6.753 -12.773 -12.773
  261   1HA   GLY  37          2HA       GLY  37  -4.802 -11.916 -11.916
  262   2HA   GLY  37          1HA       GLY  37  -5.538 -10.311 -10.311
  263    H    LYS  38           H        LYS  38  -3.338  -9.688  -9.688
  264    HA   LYS  38           HA       LYS  38  -2.867 -10.441 -10.441
  265   1HB   LYS  38          2HB       LYS  38  -1.186  -8.415  -8.415
  266   2HB   LYS  38          1HB       LYS  38  -0.691  -9.798  -9.798
  267   1HG   LYS  38          2HG       LYS  38  -1.564  -9.774  -9.774
  268   2HG   LYS  38          1HG       LYS  38  -0.003 -10.249 -10.249
  269   1HD   LYS  38          2HD       LYS  38  -1.701 -11.913 -11.913
  270   2HD   LYS  38          1HD       LYS  38  -2.502 -11.803 -11.803
  271   1HE   LYS  38          2HE       LYS  38  -0.866 -13.670 -13.670
  272   2HE   LYS  38          1HE       LYS  38  -0.356 -12.413 -12.413
  273   1HZ   LYS  38          3HZ       LYS  38   0.458 -12.118 -12.118
  274   2HZ   LYS  38          2HZ       LYS  38   1.260 -13.302 -13.302
  275   3HZ   LYS  38          1HZ       LYS  38   1.280 -11.678 -11.678
  276    H    VAL  39           H        VAL  39  -1.665  -7.514  -7.514
  277    HA   VAL  39           HA       VAL  39  -4.250  -6.062  -6.062
  278    HB   VAL  39           HB       VAL  39  -1.949  -5.712  -5.712
  279   1HG1  VAL  39          3HG1      VAL  39  -4.569  -4.636  -4.636
  280   2HG1  VAL  39          2HG1      VAL  39  -4.569  -5.582  -5.582
  281   3HG1  VAL  39          1HG1      VAL  39  -3.403  -4.276  -4.276
  282   1HG2  VAL  39          3HG2      VAL  39  -3.039  -8.200  -8.200
  283   2HG2  VAL  39          2HG2      VAL  39  -2.468  -7.538  -7.538
  284   3HG2  VAL  39          1HG2      VAL  39  -4.177  -7.462  -7.462
  285    H    VAL  40           H        VAL  40  -2.797  -3.728  -3.728
  286    HA   VAL  40           HA       VAL  40  -0.750  -3.073  -3.073
  287    HB   VAL  40           HB       VAL  40  -3.562  -1.935  -1.935
  288   1HG1  VAL  40          1HG1      VAL  40  -1.232  -0.456  -0.456
  289   2HG1  VAL  40          3HG1      VAL  40  -1.641  -0.873  -0.873
  290   3HG1  VAL  40          2HG1      VAL  40  -2.806  -0.014  -0.014
  291   1HG2  VAL  40          1HG2      VAL  40  -1.808  -3.512  -3.512
  292   2HG2  VAL  40          3HG2      VAL  40  -3.487  -3.812  -3.812
  293   3HG2  VAL  40          2HG2      VAL  40  -3.091  -2.488  -2.488
  294    H    GLU  41           H        GLU  41   0.263  -2.888  -2.888
  295    HA   GLU  41           HA       GLU  41  -0.693  -0.675  -0.675
  296   1HB   GLU  41          2HB       GLU  41   1.450  -2.731  -2.731
  297   2HB   GLU  41          1HB       GLU  41   0.510  -1.815  -1.815
  298   1HG   GLU  41          2HG       GLU  41  -1.400  -3.102  -3.102
  299   2HG   GLU  41          1HG       GLU  41  -0.155  -4.314  -4.314
  300    H    LEU  42           H        LEU  42   0.190   1.014   1.014
  301    HA   LEU  42           HA       LEU  42   3.116   1.138   1.138
  302   1HB   LEU  42          2HB       LEU  42   1.426   3.517   3.517
  303   2HB   LEU  42          1HB       LEU  42   2.632   2.749   2.749
  304    HG   LEU  42           HG       LEU  42   0.604   0.857   0.857
  305   1HD1  LEU  42          3HD1      LEU  42  -0.491   3.667   3.667
  306   2HD1  LEU  42          2HD1      LEU  42  -1.363   2.379   2.379
  307   3HD1  LEU  42          1HD1      LEU  42  -1.034   2.247   2.247
  308   1HD2  LEU  42          3HD2      LEU  42   1.970   2.489   2.489
  309   2HD2  LEU  42          2HD2      LEU  42   0.948   1.098   1.098
  310   3HD2  LEU  42          1HD2      LEU  42   0.256   2.719   2.719
  311    H    GLY  43           H        GLY  43   3.649   3.820   3.820
  312   1HA   GLY  43          2HA       GLY  43   2.746   5.291   5.291
  313   2HA   GLY  43          1HA       GLY  43   3.517   3.966   3.966
  314    H    CYS  44           H        CYS  44   5.360   4.951   4.951
  315    HA   CYS  44           HA       CYS  44   7.112   6.429   6.429
  316   1HB   CYS  44          2HB       CYS  44   7.058   6.626   6.626
  317   2HB   CYS  44          1HB       CYS  44   7.752   7.758   7.758
  318    H    ALA  45           H        ALA  45   9.462   6.149   6.149
  319    HA   ALA  45           HA       ALA  45  10.430   4.093   4.093
  320   1HB   ALA  45          2HB       ALA  45   9.163   3.160   3.160
  321   2HB   ALA  45          1HB       ALA  45  10.829   3.257   3.257
  322   3HB   ALA  45          3HB       ALA  45  10.436   2.278   2.278
  323    H    ALA  46           H        ALA  46  12.697   4.157   4.157
  324    HA   ALA  46           HA       ALA  46  14.104   6.454   6.454
  325   1HB   ALA  46          2HB       ALA  46  15.068   3.624   3.624
  326   2HB   ALA  46          1HB       ALA  46  16.099   5.054   5.054
  327   3HB   ALA  46          3HB       ALA  46  14.819   4.880   4.880
  328    H    THR  47           H        THR  47  13.761   3.318   3.318
  329    HA   THR  47           HA       THR  47  14.234   4.465   4.465
  330    HB   THR  47           HB       THR  47  16.338   2.793   2.793
  331    HG1  THR  47           HG1      THR  47  16.900   2.189   2.189
  332   1HG2  THR  47          2HG2      THR  47  15.946   5.552   5.552
  333   2HG2  THR  47          1HG2      THR  47  17.193   5.249   5.249
  334   3HG2  THR  47          3HG2      THR  47  17.437   4.729   4.729
  335    H    CYS  48           H        CYS  48  14.050   2.735   2.735
  336    HA   CYS  48           HA       CYS  48  11.992   0.914   0.914
  337   1HB   CYS  48          2HB       CYS  48  14.544   0.482   0.482
  338   2HB   CYS  48          1HB       CYS  48  12.968  -0.224  -0.224
  339    HA   PRO  49           HA       PRO  49  14.106  -1.660  -1.660
  340   1HB   PRO  49          2HB       PRO  49  11.806  -2.727  -2.727
  341   2HB   PRO  49          1HB       PRO  49  12.446  -1.143  -1.143
  342   1HG   PRO  49          2HG       PRO  49  10.225  -1.803  -1.803
  343   2HG   PRO  49          1HG       PRO  49  10.386  -0.457  -0.457
  344   1HD   PRO  49          2HD       PRO  49  10.786  -0.243  -0.243
  345   2HD   PRO  49          1HD       PRO  49  11.507   0.842   0.842
  346    H    SER  50           H        SER  50  13.898  -4.095  -4.095
  347    HA   SER  50           HA       SER  50  14.401  -5.705  -5.705
  348   1HB   SER  50          2HB       SER  50  13.386  -6.014  -6.014
  349   2HB   SER  50          1HB       SER  50  12.860  -7.325  -7.325
  350    HG   SER  50           HG       SER  50  14.835  -8.034  -8.034
  351    H    LYS  51           H        LYS  51  13.258  -6.762  -6.762
  352    HA   LYS  51           HA       LYS  51  10.378  -7.130  -7.130
  353   1HB   LYS  51          2HB       LYS  51   9.992  -5.494  -5.494
  354   2HB   LYS  51          1HB       LYS  51  10.414  -4.733  -4.733
  355   1HG   LYS  51          2HG       LYS  51  12.121  -3.709  -3.709
  356   2HG   LYS  51          1HG       LYS  51  12.870  -5.292  -5.292
  357   1HD   LYS  51          2HD       LYS  51  12.585  -5.087  -5.087
  358   2HD   LYS  51          1HD       LYS  51  10.840  -5.105  -5.105
  359   1HE   LYS  51          2HE       LYS  51  10.651  -2.840  -2.840
  360   2HE   LYS  51          1HE       LYS  51  12.174  -2.514  -2.514
  361   1HZ   LYS  51          2HZ       LYS  51  12.101  -3.855  -3.855
  362   2HZ   LYS  51          1HZ       LYS  51  12.193  -2.165  -2.165
  363   3HZ   LYS  51          3HZ       LYS  51  13.430  -3.136  -3.136
  364    H    LYS  52           H        LYS  52  10.689  -9.241  -9.241
  365    HA   LYS  52           HA       LYS  52  11.293  -9.486  -9.486
  366   1HB   LYS  52          2HB       LYS  52  13.392  -9.660  -9.660
  367   2HB   LYS  52          1HB       LYS  52  13.290 -11.135 -11.135
  368   1HG   LYS  52          2HG       LYS  52  13.048  -9.285  -9.285
  369   2HG   LYS  52          1HG       LYS  52  14.054  -8.389  -8.389
  370   1HD   LYS  52          2HD       LYS  52  15.423  -9.701  -9.701
  371   2HD   LYS  52          1HD       LYS  52  15.670 -10.232 -10.232
  372   1HE   LYS  52          2HE       LYS  52  14.501 -12.231 -12.231
  373   2HE   LYS  52          1HE       LYS  52  13.562 -11.576 -11.576
  374   1HZ   LYS  52          2HZ       LYS  52  15.853 -11.281 -11.281
  375   2HZ   LYS  52          1HZ       LYS  52  16.390 -12.419 -12.419
  376   3HZ   LYS  52          3HZ       LYS  52  15.176 -12.839 -12.839
  377    HA   PRO  53           HA       PRO  53  10.673 -13.901 -13.901
  378   1HB   PRO  53          2HB       PRO  53  10.662 -14.272 -14.272
  379   2HB   PRO  53          1HB       PRO  53  12.136 -14.349 -14.349
  380   1HG   PRO  53          2HG       PRO  53  11.098 -12.118 -12.118
  381   2HG   PRO  53          1HG       PRO  53  12.760 -12.696 -12.696
  382   1HD   PRO  53          2HD       PRO  53  11.803 -10.485 -10.485
  383   2HD   PRO  53          1HD       PRO  53  13.068 -11.518 -11.518
  384    H    TYR  54           H        TYR  54   9.403 -12.890 -12.890
  385    HA   TYR  54           HA       TYR  54   6.639 -13.265 -13.265
  386   1HB   TYR  54          2HB       TYR  54   7.137 -12.884 -12.884
  387   2HB   TYR  54          1HB       TYR  54   6.162 -14.102 -14.102
  388    HD1  TYR  54           HD1      TYR  54   7.201 -16.164 -16.164
  389    HD2  TYR  54           HD2      TYR  54   9.492 -13.235 -13.235
  390    HE1  TYR  54           HE1      TYR  54   9.042 -17.804 -17.804
  391    HE2  TYR  54           HE2      TYR  54  11.331 -14.870 -14.870
  392    HH   TYR  54           HH       TYR  54  11.408 -17.854 -17.854
  393    H    GLU  55           H        GLU  55   8.761 -10.912 -10.912
  394    HA   GLU  55           HA       GLU  55   6.612  -8.972  -8.972
  395   1HB   GLU  55          2HB       GLU  55   9.637  -8.972  -8.972
  396   2HB   GLU  55          1HB       GLU  55   8.670  -7.549  -7.549
  397   1HG   GLU  55          2HG       GLU  55   8.232  -8.373  -8.373
  398   2HG   GLU  55          1HG       GLU  55   7.550  -9.836  -9.836
  399    H    GLU  56           H        GLU  56   5.758  -7.819  -7.819
  400    HA   GLU  56           HA       GLU  56   7.490  -7.268  -7.268
  401   1HB   GLU  56          2HB       GLU  56   4.562  -7.681  -7.681
  402   2HB   GLU  56          1HB       GLU  56   5.046  -6.721  -6.721
  403   1HG   GLU  56          2HG       GLU  56   5.772  -8.542  -8.542
  404   2HG   GLU  56          1HG       GLU  56   6.599  -9.192  -9.192
  405    H    VAL  57           H        VAL  57   8.277  -5.551  -5.551
  406    HA   VAL  57           HA       VAL  57   6.525  -3.218  -3.218
  407    HB   VAL  57           HB       VAL  57   9.475  -3.529  -3.529
  408   1HG1  VAL  57          3HG1      VAL  57   7.349  -1.566  -1.566
  409   2HG1  VAL  57          2HG1      VAL  57   8.350  -2.036  -2.036
  410   3HG1  VAL  57          1HG1      VAL  57   9.098  -1.348  -1.348
  411   1HG2  VAL  57          3HG2      VAL  57   7.252  -5.009  -5.009
  412   2HG2  VAL  57          2HG2      VAL  57   8.939  -5.076  -5.076
  413   3HG2  VAL  57          1HG2      VAL  57   7.832  -3.928  -3.928
  414    H    THR  58           H        THR  58   7.069  -1.100  -1.100
  415    HA   THR  58           HA       THR  58   9.019  -1.032  -1.032
  416    HB   THR  58           HB       THR  58   6.635   0.420   0.420
  417    HG1  THR  58           HG1      THR  58   5.164  -1.258  -1.258
  418   1HG2  THR  58          1HG2      THR  58   8.144  -1.958  -1.958
  419   2HG2  THR  58          3HG2      THR  58   6.653  -1.413  -1.413
  420   3HG2  THR  58          2HG2      THR  58   8.040  -0.328  -0.328
  421    H    CYS  59           H        CYS  59   8.576   1.550   1.550
  422    HA   CYS  59           HA       CYS  59   8.719   3.199   3.199
  423   1HB   CYS  59          2HB       CYS  59  10.607   2.881   2.881
  424   2HB   CYS  59          1HB       CYS  59  10.460   4.469   4.469
  425    H    CYS  60           H        CYS  60   8.783   5.574   5.574
  426    HA   CYS  60           HA       CYS  60   7.643   6.385   6.385
  427   1HB   CYS  60          2HB       CYS  60   5.457   5.962   5.962
  428   2HB   CYS  60          1HB       CYS  60   5.869   5.352   5.352
  429    H    SER  61           H        SER  61   8.636   8.343   8.343
  430    HA   SER  61           HA       SER  61   9.067   9.974   9.974
  431   1HB   SER  61          2HB       SER  61  10.802  10.978  10.978
  432   2HB   SER  61          1HB       SER  61  11.165   9.539   9.539
  433    HG   SER  61           HG       SER  61   9.877   9.474   9.474
  434    H    THR  62           H        THR  62   7.266   9.937   9.937
  435    HA   THR  62           HA       THR  62   7.266  12.820  12.820
  436    HB   THR  62           HB       THR  62   5.007  11.170  11.170
  437    HG1  THR  62           HG1      THR  62   6.421   9.998   9.998
  438   1HG2  THR  62          2HG2      THR  62   6.912  13.216  13.216
  439   2HG2  THR  62          1HG2      THR  62   6.354  12.051  12.051
  440   3HG2  THR  62          3HG2      THR  62   5.187  13.037  13.037
  441    H    ASP  63           H        ASP  63   4.806  13.758  13.758
  442    HA   ASP  63           HA       ASP  63   3.937  14.008  14.008
  443   1HB   ASP  63          2HB       ASP  63   3.402  15.132  15.132
  444   2HB   ASP  63          1HB       ASP  63   1.940  15.003  15.003
  445    H    LYS  64           H        LYS  64   2.554  12.613  12.613
  446    HA   LYS  64           HA       LYS  64   1.084  10.767  10.767
  447   1HB   LYS  64          2HB       LYS  64  -0.146  12.407  12.407
  448   2HB   LYS  64          1HB       LYS  64  -1.014  11.154  11.154
  449   1HG   LYS  64          2HG       LYS  64  -0.500  12.387  12.387
  450   2HG   LYS  64          1HG       LYS  64   0.196  13.684  13.684
  451   1HD   LYS  64          2HD       LYS  64  -2.362  13.056  13.056
  452   2HD   LYS  64          1HD       LYS  64  -2.555  13.243  13.243
  453   1HE   LYS  64          2HE       LYS  64  -1.516  15.445  15.445
  454   2HE   LYS  64          1HE       LYS  64  -1.137  15.253  15.253
  455   1HZ   LYS  64          2HZ       LYS  64  -3.898  14.832  14.832
  456   2HZ   LYS  64          1HZ       LYS  64  -3.339  16.427  16.427
  457   3HZ   LYS  64          3HZ       LYS  64  -3.330  15.377  15.377
  458    H    CYS  65           H        CYS  65   3.260   9.942   9.942
  459    HA   CYS  65           HA       CYS  65   2.336   8.645   8.645
  460   1HB   CYS  65          2HB       CYS  65   4.801   7.863   7.863
  461   2HB   CYS  65          1HB       CYS  65   4.478   9.574   9.574
  462    H    ASN  66           H        ASN  66   1.370   7.862   7.862
  463    HA   ASN  66           HA       ASN  66   2.321   5.025   5.025
  464   1HB   ASN  66          2HB       ASN  66   1.785   7.088   7.088
  465   2HB   ASN  66          1HB       ASN  66   0.775   5.679   5.679
  466   1HD2  ASN  66          2HD2      ASN  66   4.716   4.661   4.661
  467   2HD2  ASN  66          1HD2      ASN  66   3.952   5.464   5.464
  468    HA   PRO  67           HA       PRO  67  -2.384   5.373   5.373
  469   1HB   PRO  67          2HB       PRO  67  -2.545   5.389   5.389
  470   2HB   PRO  67          1HB       PRO  67  -2.469   6.875   6.875
  471   1HG   PRO  67          2HG       PRO  67  -0.337   5.521   5.521
  472   2HG   PRO  67          1HG       PRO  67  -0.636   7.248   7.248
  473   1HD   PRO  67          2HD       PRO  67   1.286   5.801   5.801
  474   2HD   PRO  67          1HD       PRO  67   0.557   7.308   7.308
  475    H    HIS  68           H        HIS  68  -3.249   3.377   3.377
  476    HA   HIS  68           HA       HIS  68  -1.977   1.130   1.130
  477   1HB   HIS  68          2HB       HIS  68  -2.741  -0.238  -0.238
  478   2HB   HIS  68          1HB       HIS  68  -1.976   1.183   1.183
  479    HD1  HIS  68           HD1      HIS  68  -5.388  -0.340  -0.340
  480    HD2  HIS  68           HD2      HIS  68  -3.666   2.920   2.920
  481    HE1  HIS  68           HE1      HIS  68  -7.211   0.698   0.698
  482    HA   PRO  69           HA       PRO  69  -5.941   0.508   0.508
  483   1HB   PRO  69          2HB       PRO  69  -6.940  -1.947  -1.947
  484   2HB   PRO  69          1HB       PRO  69  -5.559  -1.739  -1.739
  485   1HG   PRO  69          2HG       PRO  69  -5.611  -2.547  -2.547
  486   2HG   PRO  69          1HG       PRO  69  -4.507  -3.031  -3.031
  487   1HD   PRO  69          2HD       PRO  69  -3.946  -1.190  -1.190
  488   2HD   PRO  69          1HD       PRO  69  -3.076  -1.320  -1.320
  489    H    LYS  70           H        LYS  70  -6.724   2.249   2.249
  490    HA   LYS  70           HA       LYS  70  -8.167   1.738   1.738
  491   1HB   LYS  70          2HB       LYS  70  -8.230   3.951   3.951
  492   2HB   LYS  70          1HB       LYS  70  -9.019   4.065   4.065
  493   1HG   LYS  70          2HG       LYS  70  -7.068   4.480   4.480
  494   2HG   LYS  70          1HG       LYS  70  -6.248   3.165   3.165
  495   1HD   LYS  70          2HD       LYS  70  -5.128   5.106   5.106
  496   2HD   LYS  70          1HD       LYS  70  -6.261   4.738   4.738
  497   1HE   LYS  70          2HE       LYS  70  -7.096   6.582   6.582
  498   2HE   LYS  70          1HE       LYS  70  -6.151   7.200   7.200
  499   1HZ   LYS  70          2HZ       LYS  70  -7.830   5.842   5.842
  500   2HZ   LYS  70          1HZ       LYS  70  -8.816   5.939   5.939
  501   3HZ   LYS  70          3HZ       LYS  70  -8.305   7.358   7.358
  502    H    GLN  71           H        GLN  71  -9.907   3.289   3.289
  503    HA   GLN  71           HA       GLN  71 -12.091   1.272   1.272
  504   1HB   GLN  71          2HB       GLN  71 -11.933   4.210   4.210
  505   2HB   GLN  71          1HB       GLN  71 -13.388   3.287   3.287
  506   1HG   GLN  71          2HG       GLN  71 -14.048   3.487   3.487
  507   2HG   GLN  71          1HG       GLN  71 -12.612   2.599   2.599
  508   1HE2  GLN  71          2HE2      GLN  71 -10.866   5.501   5.501
  509   2HE2  GLN  71          1HE2      GLN  71 -10.752   3.844   3.844
  510    H    ARG  72           H        ARG  72 -11.119  -0.185  -0.185
  511    HA   ARG  72           HA       ARG  72 -10.922  -1.049  -1.049
  512   1HB   ARG  72          2HB       ARG  72 -13.261  -0.460  -0.460
  513   2HB   ARG  72          1HB       ARG  72 -12.874   1.242   1.242
  514   1HG   ARG  72          2HG       ARG  72 -11.626   0.486   0.486
  515   2HG   ARG  72          1HG       ARG  72 -12.445  -1.063  -1.063
  516   1HD   ARG  72          2HD       ARG  72 -14.334   1.132   1.132
  517   2HD   ARG  72          1HD       ARG  72 -13.495   1.199   1.199
  518    HE   ARG  72           HE       ARG  72 -15.088  -1.114  -1.114
  519   1HH1  ARG  72          2HH1      ARG  72 -13.684  -2.791  -2.791
  520   2HH1  ARG  72          1HH1      ARG  72 -13.919  -2.461  -2.461
  521   1HH2  ARG  72          1HH2      ARG  72 -15.187   0.723   0.723
  522   2HH2  ARG  72          2HH2      ARG  72 -14.770  -0.472  -0.472
  523    HA   PRO  73           HA       PRO  73  -7.702   1.393   1.393
  524   1HB   PRO  73          2HB       PRO  73  -7.298  -0.061  -0.061
  525   2HB   PRO  73          1HB       PRO  73  -6.765  -0.610  -0.610
  526   1HG   PRO  73          2HG       PRO  73  -9.139  -1.430  -1.430
  527   2HG   PRO  73          1HG       PRO  73  -8.089  -2.398  -2.398
  528   1HD   PRO  73          2HD       PRO  73 -10.568  -1.484  -1.484
  529   2HD   PRO  73          1HD       PRO  73  -9.268  -1.872  -1.872
  530    H    GLY  74           HN       GLY  74  -8.339   3.381   3.381
  531   1HA   GLY  74          2HA       GLY  74  -8.799   3.976   3.976
  532   2HA   GLY  74          1HA       GLY  74 -10.415   3.613   3.613
  533   1H    MET   1          2H        MET  75 -12.678  -5.052  -5.052
  534   2H    MET   1          1H        MET  75 -12.975  -5.044  -5.044
  535   3H    MET   1          3H        MET  75 -14.193  -4.564  -4.564
  536    HA   MET   1           HA       MET  75 -13.222  -2.527  -2.527
  537   1HB   MET   1          2HB       MET  75 -12.414  -3.333  -3.333
  538   2HB   MET   1          1HB       MET  75 -12.685  -1.681  -1.681
  539   1HG   MET   1          2HG       MET  75 -14.787  -2.083  -2.083
  540   2HG   MET   1          1HG       MET  75 -15.022  -2.774  -2.774
  541   1HE   MET   1          3HE       MET  75 -13.380  -3.516  -3.516
  542   2HE   MET   1          2HE       MET  75 -15.082  -3.410  -3.410
  543   3HE   MET   1          1HE       MET  75 -14.233  -4.945  -4.945
  544    H    ARG   2           H        ARG  76 -11.478  -2.895  -2.895
  545    HA   ARG   2           HA       ARG  76  -8.794  -2.466  -2.466
  546   1HB   ARG   2          2HB       ARG  76  -9.800  -5.009  -5.009
  547   2HB   ARG   2          1HB       ARG  76  -8.424  -4.483  -4.483
  548   1HG   ARG   2          2HG       ARG  76  -8.407  -4.531  -4.531
  549   2HG   ARG   2          1HG       ARG  76  -7.786  -5.841  -5.841
  550   1HD   ARG   2          2HD       ARG  76  -6.305  -4.094  -4.094
  551   2HD   ARG   2          1HD       ARG  76  -6.761  -2.995  -2.995
  552    HE   ARG   2           HE       ARG  76  -5.012  -5.315  -5.315
  553   1HH1  ARG   2          2HH1      ARG  76  -7.083  -6.008  -6.008
  554   2HH1  ARG   2          1HH1      ARG  76  -6.610  -5.132  -5.132
  555   1HH2  ARG   2          1HH2      ARG  76  -4.487  -2.989  -2.989
  556   2HH2  ARG   2          2HH2      ARG  76  -5.139  -3.421  -3.421
  557    H    TYR   3           H        TYR  77  -7.241  -1.796  -1.796
  558    HA   TYR   3           HA       TYR  77  -8.472  -0.707  -0.707
  559   1HB   TYR   3          2HB       TYR  77  -5.616  -0.210  -0.210
  560   2HB   TYR   3          1HB       TYR  77  -6.810   0.918   0.918
  561    HD1  TYR   3           HD2      TYR  77  -5.571  -0.794  -0.794
  562    HD2  TYR   3           HD1      TYR  77  -8.146   2.267   2.267
  563    HE1  TYR   3           HE2      TYR  77  -5.864   0.129   0.129
  564    HE2  TYR   3           HE1      TYR  77  -8.440   3.192   3.192
  565    HH   TYR   3           HH       TYR  77  -8.269   2.156   2.156
  566    H    TYR   4           H        TYR  78  -8.420  -3.304  -3.304
  567    HA   TYR   4           HA       TYR  78  -5.990  -4.652  -4.652
  568   1HB   TYR   4          2HB       TYR  78  -8.859  -5.086  -5.086
  569   2HB   TYR   4          1HB       TYR  78  -8.095  -5.921  -5.921
  570    HD1  TYR   4           HD2      TYR  78  -6.801  -5.217  -5.217
  571    HD2  TYR   4           HD1      TYR  78  -8.032  -8.171  -8.171
  572    HE1  TYR   4           HE2      TYR  78  -6.059  -7.020  -7.020
  573    HE2  TYR   4           HE1      TYR  78  -7.295  -9.971  -9.971
  574    HH   TYR   4           HH       TYR  78  -6.863  -9.683  -9.683
  575    H    GLU   5           H        GLU  79  -6.124  -5.955  -5.955
  576    HA   GLU   5           HA       GLU  79  -5.692  -3.917  -3.917
  577   1HB   GLU   5          2HB       GLU  79  -3.864  -5.379  -5.379
  578   2HB   GLU   5          1HB       GLU  79  -4.903  -6.786  -6.786
  579   1HG   GLU   5          2HG       GLU  79  -5.185  -7.109  -7.109
  580   2HG   GLU   5          1HG       GLU  79  -5.203  -5.379  -5.379
  581    H    SER   6           H        SER  80  -8.018  -3.554  -3.554
  582    HA   SER   6           HA       SER  80  -9.083  -4.999  -4.999
  583   1HB   SER   6          2HB       SER  80  -9.385  -6.235  -6.235
  584   2HB   SER   6          1HB       SER  80 -10.948  -5.954  -5.954
  585    HG   SER   6           HG       SER  80 -10.086  -6.997  -6.997
  586    H    SER   7           H        SER  81  -9.659  -2.995  -2.995
  587    HA   SER   7           HA       SER  81 -11.290  -1.123  -1.123
  588   1HB   SER   7          2HB       SER  81 -12.658  -3.369  -3.369
  589   2HB   SER   7          1HB       SER  81 -12.922  -2.684  -2.684
  590    HG   SER   7           HG       SER  81 -13.880  -1.899  -1.899
  591    H    LEU   8           H        LEU  82 -12.417   0.428   0.428
  592    HA   LEU   8           HA       LEU  82 -11.038   0.402   0.402
  593   1HB   LEU   8          2HB       LEU  82 -10.335   1.995   1.995
  594   2HB   LEU   8          1HB       LEU  82 -11.379   3.051   3.051
  595    HG   LEU   8           HG       LEU  82 -10.020   2.772   2.772
  596   1HD1  LEU   8          1HD1      LEU  82  -8.931   0.485   0.485
  597   2HD1  LEU   8          3HD1      LEU  82  -7.856   1.286   1.286
  598   3HD1  LEU   8          2HD1      LEU  82  -9.367   0.566   0.566
  599   1HD2  LEU   8          1HD2      LEU  82  -9.123   4.014   4.014
  600   2HD2  LEU   8          3HD2      LEU  82  -8.278   4.062   4.062
  601   3HD2  LEU   8          2HD2      LEU  82  -7.790   2.900   2.900
  602    H    LYS   9           H        LYS  83 -12.836   0.042   0.042
  603    HA   LYS   9           HA       LYS  83 -14.716   2.206   2.206
  604   1HB   LYS   9          2HB       LYS  83 -15.257   0.156   0.156
  605   2HB   LYS   9          1HB       LYS  83 -16.483   0.130   0.130
  606   1HG   LYS   9          2HG       LYS  83 -16.469   2.739   2.739
  607   2HG   LYS   9          1HG       LYS  83 -15.768   2.349   2.349
  608   1HD   LYS   9          2HD       LYS  83 -17.670   1.163   1.163
  609   2HD   LYS   9          1HD       LYS  83 -18.244   0.927   0.927
  610   1HE   LYS   9          2HE       LYS  83 -19.306   2.949   2.949
  611   2HE   LYS   9          1HE       LYS  83 -17.986   3.762   3.762
  612   1HZ   LYS   9          2HZ       LYS  83 -18.724   2.339   2.339
  613   2HZ   LYS   9          1HZ       LYS  83 -20.170   2.108   2.108
  614   3HZ   LYS   9          3HZ       LYS  83 -19.695   3.672   3.672
  615    H    SER  10           H        SER  84 -13.022   0.775   0.775
  616    HA   SER  10           HA       SER  84 -13.016  -0.604  -0.604
  617   1HB   SER  10          2HB       SER  84 -14.621   0.260   0.260
  618   2HB   SER  10          1HB       SER  84 -14.343   1.570   1.570
  619    HG   SER  10           HG       SER  84 -16.462   1.450   1.450
  620    H    TYR  11           H        TYR  85 -13.372  -2.474  -2.474
  621    HA   TYR  11           HA       TYR  85 -15.957  -3.865  -3.865
  622   1HB   TYR  11          2HB       TYR  85 -15.644  -4.898  -4.898
  623   2HB   TYR  11          1HB       TYR  85 -15.706  -3.137  -3.137
  624    HD1  TYR  11           HD1      TYR  85 -13.674  -1.818  -1.818
  625    HD2  TYR  11           HD2      TYR  85 -13.564  -6.110  -6.110
  626    HE1  TYR  11           HE1      TYR  85 -11.425  -1.794  -1.794
  627    HE2  TYR  11           HE2      TYR  85 -11.316  -6.086  -6.086
  628    HH   TYR  11           HH       TYR  85  -9.885  -4.726  -4.726
  629    HA   PRO  12           HA       PRO  86 -13.201  -6.843  -6.843
  630   1HB   PRO  12          2HB       PRO  86 -15.121  -8.663  -8.663
  631   2HB   PRO  12          1HB       PRO  86 -14.841  -7.165  -7.165
  632   1HG   PRO  12          2HG       PRO  86 -16.966  -7.814  -7.814
  633   2HG   PRO  12          1HG       PRO  86 -17.044  -6.824  -6.824
  634   1HD   PRO  12          2HD       PRO  86 -16.877  -5.817  -5.817
  635   2HD   PRO  12          1HD       PRO  86 -16.382  -4.939  -4.939
  636    H    ASP  13           HN       ASP  87 -13.656  -9.600  -9.600
  637    HA   ASP  13           HA       ASP  87 -13.166 -10.085 -10.085
  638   1HB   ASP  13          2HB       ASP  87 -11.536 -10.975 -10.975
  639   2HB   ASP  13          1HB       ASP  87 -12.778 -11.633 -11.633

  Start of MODEL   17
    1   1H    ILE   1          1H        ILE   1   7.363  15.876  15.876
    2   2H    ILE   1          3H        ILE   1   8.332  15.015  15.015
    3   3H    ILE   1          2H        ILE   1   7.705  16.532  16.532
    4    HA   ILE   1           HA       ILE   1   5.628  15.732  15.732
    5    HB   ILE   1           HB       ILE   1   5.972  13.614  13.614
    6   1HG1  ILE   1          2HG1      ILE   1   8.675  13.016  13.016
    7   2HG1  ILE   1          1HG1      ILE   1   7.846  13.181  13.181
    8   1HG2  ILE   1          2HG2      ILE   1   7.076  15.813  15.813
    9   2HG2  ILE   1          1HG2      ILE   1   8.577  15.142  15.142
   10   3HG2  ILE   1          3HG2      ILE   1   7.739  14.329  14.329
   11   1HD1  ILE   1          1HD1      ILE   1   6.177  11.730  11.730
   12   2HD1  ILE   1          3HD1      ILE   1   7.763  10.966  10.966
   13   3HD1  ILE   1          2HD1      ILE   1   6.803  11.211  11.211
   14    H    VAL   2           H        VAL   2   3.916  14.084  14.084
   15    HA   VAL   2           HA       VAL   2   4.157  12.990  12.990
   16    HB   VAL   2           HB       VAL   2   1.642  13.606  13.606
   17   1HG1  VAL   2          1HG1      VAL   2   1.814  12.279  12.279
   18   2HG1  VAL   2          3HG1      VAL   2   2.014  13.890  13.890
   19   3HG1  VAL   2          2HG1      VAL   2   0.557  13.494  13.494
   20   1HG2  VAL   2          3HG2      VAL   2   3.074  15.626  15.626
   21   2HG2  VAL   2          2HG2      VAL   2   1.656  15.833  15.833
   22   3HG2  VAL   2          1HG2      VAL   2   3.226  15.484  15.484
   23    H    CYS   3           H        CYS   3   3.021  10.915  10.915
   24    HA   CYS   3           HA       CYS   3   2.670   9.289   9.289
   25   1HB   CYS   3          2HB       CYS   3   3.889   8.375   8.375
   26   2HB   CYS   3          1HB       CYS   3   3.903   7.545   7.545
   27    H    HIS   4           H        HIS   4   1.256   7.354   7.354
   28    HA   HIS   4           HA       HIS   4  -0.911   8.008   8.008
   29   1HB   HIS   4          2HB       HIS   4  -0.871   5.885   5.885
   30   2HB   HIS   4          1HB       HIS   4  -2.263   6.670   6.670
   31    HD1  HIS   4           HD1      HIS   4  -1.552   9.583   9.583
   32    HD2  HIS   4           HD2      HIS   4  -0.905   6.833   6.833
   33    HE1  HIS   4           HE1      HIS   4  -1.426  10.922  10.922
   34    H    THR   5           H        THR   5  -1.778   6.337   6.337
   35    HA   THR   5           HA       THR   5   0.175   4.090   4.090
   36    HB   THR   5           HB       THR   5   0.204   4.496   4.496
   37    HG1  THR   5           HG1      THR   5  -1.941   4.012   4.012
   38   1HG2  THR   5          1HG2      THR   5   0.720   6.709   6.709
   39   2HG2  THR   5          3HG2      THR   5  -0.923   7.205   7.205
   40   3HG2  THR   5          2HG2      THR   5   0.228   6.832   6.832
   41    H    THR   6           H        THR   6  -0.795   2.398   2.398
   42    HA   THR   6           HA       THR   6  -3.716   1.937   1.937
   43    HB   THR   6           HB       THR   6  -2.601  -0.291  -0.291
   44    HG1  THR   6           HG1      THR   6  -0.533   0.804   0.804
   45   1HG2  THR   6          3HG2      THR   6  -4.354   1.189   1.189
   46   2HG2  THR   6          2HG2      THR   6  -3.097   2.334   2.334
   47   3HG2  THR   6          1HG2      THR   6  -3.135   0.727   0.727
   48    H    ALA   7           H        ALA   7  -0.679   1.185   1.185
   49    HA   ALA   7           HA       ALA   7  -1.655  -1.210  -1.210
   50   1HB   ALA   7          3HB       ALA   7   0.885   0.104   0.104
   51   2HB   ALA   7          2HB       ALA   7   0.896  -0.764  -0.764
   52   3HB   ALA   7          1HB       ALA   7   0.484  -1.620  -1.620
   53    H    THR   8           H        THR   8  -0.666   2.109   2.109
   54    HA   THR   8           HA       THR   8  -1.142   1.484   1.484
   55    HB   THR   8           HB       THR   8  -0.308   3.996   3.996
   56    HG1  THR   8           HG1      THR   8   1.162   4.066   4.066
   57   1HG2  THR   8          1HG2      THR   8   1.405   1.628   1.628
   58   2HG2  THR   8          3HG2      THR   8   2.046   3.152   3.152
   59   3HG2  THR   8          2HG2      THR   8   1.020   2.152   2.152
   60    H    SER   9           H        SER   9  -1.725   4.752   4.752
   61    HA   SER   9           HA       SER   9  -4.441   4.667   4.667
   62   1HB   SER   9          2HB       SER   9  -4.218   6.954   6.954
   63   2HB   SER   9          1HB       SER   9  -2.518   6.566   6.566
   64    HG   SER   9           HG       SER   9  -3.007   6.494   6.494
   65    HA   PRO  10           HA       PRO  10  -6.644   3.772   3.772
   66   1HB   PRO  10          2HB       PRO  10  -8.355   5.862   5.862
   67   2HB   PRO  10          1HB       PRO  10  -8.595   4.641   4.641
   68   1HG   PRO  10          2HG       PRO  10  -7.505   7.405   7.405
   69   2HG   PRO  10          1HG       PRO  10  -8.575   6.527   6.527
   70   1HD   PRO  10          2HD       PRO  10  -5.909   6.840   6.840
   71   2HD   PRO  10          1HD       PRO  10  -6.834   5.436   5.436
   72    H    ILE  11           H        ILE  11  -6.506   4.030   4.030
   73    HA   ILE  11           HA       ILE  11  -4.369   5.193   5.193
   74    HB   ILE  11           HB       ILE  11  -6.829   4.035   4.035
   75   1HG1  ILE  11          2HG1      ILE  11  -4.103   4.607   4.607
   76   2HG1  ILE  11          1HG1      ILE  11  -4.850   3.059   3.059
   77   1HG2  ILE  11          2HG2      ILE  11  -6.120   6.543   6.543
   78   2HG2  ILE  11          1HG2      ILE  11  -7.192   5.274   5.274
   79   3HG2  ILE  11          3HG2      ILE  11  -7.645   6.222   6.222
   80   1HD1  ILE  11          2HD1      ILE  11  -6.490   3.942   3.942
   81   2HD1  ILE  11          1HD1      ILE  11  -4.937   4.613   4.613
   82   3HD1  ILE  11          3HD1      ILE  11  -5.108   2.875   2.875
   83    H    SER  12           H        SER  12  -3.664   7.100   7.100
   84    HA   SER  12           HA       SER  12  -5.098   9.495   9.495
   85   1HB   SER  12          2HB       SER  12  -5.283  10.496  10.496
   86   2HB   SER  12          1HB       SER  12  -5.838   8.843   8.843
   87    HG   SER  12           HG       SER  12  -4.196   9.738   9.738
   88    H    ALA  13           H        ALA  13  -3.536  11.160  11.160
   89    HA   ALA  13           HA       ALA  13  -0.766  10.176  10.176
   90   1HB   ALA  13          3HB       ALA  13  -2.414  11.969  11.969
   91   2HB   ALA  13          2HB       ALA  13  -0.924  12.783  12.783
   92   3HB   ALA  13          1HB       ALA  13  -0.848  11.275  11.275
   93    H    VAL  14           H        VAL  14   0.268  10.479  10.479
   94    HA   VAL  14           HA       VAL  14   0.098  13.235  13.235
   95    HB   VAL  14           HB       VAL  14   0.169  12.329  12.329
   96   1HG1  VAL  14          3HG1      VAL  14  -1.831  11.529  11.529
   97   2HG1  VAL  14          2HG1      VAL  14  -1.047   9.950   9.950
   98   3HG1  VAL  14          1HG1      VAL  14  -1.537  10.722  10.722
   99   1HG2  VAL  14          3HG2      VAL  14   2.244  11.040  11.040
  100   2HG2  VAL  14          2HG2      VAL  14   1.042  10.079  10.079
  101   3HG2  VAL  14          1HG2      VAL  14   1.329   9.787   9.787
  102    H    THR  15           H        THR  15   2.029  14.182  14.182
  103    HA   THR  15           HA       THR  15   4.339  13.604  13.604
  104    HB   THR  15           HB       THR  15   4.372  14.933  14.933
  105    HG1  THR  15           HG1      THR  15   3.499  16.193  16.193
  106   1HG2  THR  15          1HG2      THR  15   6.003  14.890  14.890
  107   2HG2  THR  15          3HG2      THR  15   5.609  16.529  16.529
  108   3HG2  THR  15          2HG2      THR  15   6.430  15.427  15.427
  109    H    CYS  16           H        CYS  16   6.233  12.404  12.404
  110    HA   CYS  16           HA       CYS  16   5.929  10.363  10.363
  111   1HB   CYS  16          2HB       CYS  16   8.155  10.819  10.819
  112   2HB   CYS  16          1HB       CYS  16   7.748   9.313   9.313
  113    HA   PRO  17           HA       PRO  17   8.702  12.145  12.145
  114   1HB   PRO  17          2HB       PRO  17  10.045   9.933   9.933
  115   2HB   PRO  17          1HB       PRO  17   8.353  10.274  10.274
  116   1HG   PRO  17          2HG       PRO  17   9.472   8.397   8.397
  117   2HG   PRO  17          1HG       PRO  17   8.074   8.205   8.205
  118   1HD   PRO  17          2HD       PRO  17   7.879   8.841   8.841
  119   2HD   PRO  17          1HD       PRO  17   6.666   9.298   9.298
  120    HA   PRO  18           HA       PRO  18  12.724  12.770  12.770
  121   1HB   PRO  18          2HB       PRO  18  14.429  12.520  12.520
  122   2HB   PRO  18          1HB       PRO  18  13.355  13.916  13.916
  123   1HG   PRO  18          2HG       PRO  18  12.996  11.518  11.518
  124   2HG   PRO  18          1HG       PRO  18  12.645  13.221  13.221
  125   1HD   PRO  18          2HD       PRO  18  10.716  11.454  11.454
  126   2HD   PRO  18          1HD       PRO  18  10.631  13.171  13.171
  127    H    GLY  19           H        GLY  19  13.312  11.128  11.128
  128   1HA   GLY  19          2HA       GLY  19  15.332   9.362   9.362
  129   2HA   GLY  19          1HA       GLY  19  14.021   8.463   8.463
  130    H    GLU  20           H        GLU  20  11.887   8.603   8.603
  131    HA   GLU  20           HA       GLU  20  12.454   7.272   7.272
  132   1HB   GLU  20          2HB       GLU  20  10.021   8.454   8.454
  133   2HB   GLU  20          1HB       GLU  20   9.911   7.606   7.606
  134   1HG   GLU  20          2HG       GLU  20   9.550   5.855   5.855
  135   2HG   GLU  20          1HG       GLU  20  11.297   5.752   5.752
  136    H    ASN  21           H        ASN  21  13.407   8.474   8.474
  137    HA   ASN  21           HA       ASN  21  12.858  11.306  11.306
  138   1HB   ASN  21          2HB       ASN  21  14.176   9.327   9.327
  139   2HB   ASN  21          1HB       ASN  21  14.471  11.061  11.061
  140   1HD2  ASN  21          2HD2      ASN  21  15.810  10.064  10.064
  141   2HD2  ASN  21          1HD2      ASN  21  14.254  10.612  10.612
  142    H    LEU  22           H        LEU  22  11.383   8.353   8.353
  143    HA   LEU  22           HA       LEU  22   9.551   9.934   9.934
  144   1HB   LEU  22          2HB       LEU  22   9.896   8.405   8.405
  145   2HB   LEU  22          1HB       LEU  22  11.465   9.024   9.024
  146    HG   LEU  22           HG       LEU  22  10.915   6.703   6.703
  147   1HD1  LEU  22          3HD1      LEU  22   9.421   6.441   6.441
  148   2HD1  LEU  22          2HD1      LEU  22  10.967   5.858   5.858
  149   3HD1  LEU  22          1HD1      LEU  22  10.215   5.069   5.069
  150   1HD2  LEU  22          2HD2      LEU  22  12.897   7.719   7.719
  151   2HD2  LEU  22          1HD2      LEU  22  13.153   6.973   6.973
  152   3HD2  LEU  22          3HD2      LEU  22  12.841   5.964   5.964
  153    H    CYS  23           H        CYS  23   7.972   8.023   8.023
  154    HA   CYS  23           HA       CYS  23   6.847   6.684   6.684
  155   1HB   CYS  23          2HB       CYS  23   5.600   7.006   7.006
  156   2HB   CYS  23          1HB       CYS  23   4.792   6.841   6.841
  157    H    TYR  24           H        TYR  24   5.629   4.537   4.537
  158    HA   TYR  24           HA       TYR  24   7.012   3.114   3.114
  159   1HB   TYR  24          2HB       TYR  24   8.128   1.550   1.550
  160   2HB   TYR  24          1HB       TYR  24   8.473   3.118   3.118
  161    HD1  TYR  24           HD1      TYR  24   7.380   3.806   3.806
  162    HD2  TYR  24           HD2      TYR  24   6.597  -0.019  -0.019
  163    HE1  TYR  24           HE1      TYR  24   6.322   3.072   3.072
  164    HE2  TYR  24           HE2      TYR  24   5.538  -0.773  -0.773
  165    HH   TYR  24           HH       TYR  24   4.349   0.490   0.490
  166    H    ARG  25           H        ARG  25   6.100   0.998   0.998
  167    HA   ARG  25           HA       ARG  25   3.402   0.692   0.692
  168   1HB   ARG  25          2HB       ARG  25   4.249  -0.250  -0.250
  169   2HB   ARG  25          1HB       ARG  25   2.608  -0.032  -0.032
  170   1HG   ARG  25          2HG       ARG  25   3.432   2.466   2.466
  171   2HG   ARG  25          1HG       ARG  25   4.589   2.025   2.025
  172   1HD   ARG  25          2HD       ARG  25   1.867   1.138   1.138
  173   2HD   ARG  25          1HD       ARG  25   2.002   2.900   2.900
  174    HE   ARG  25           HE       ARG  25   4.264   2.095   2.095
  175   1HH1  ARG  25          2HH1      ARG  25   2.824   0.086   0.086
  176   2HH1  ARG  25          1HH1      ARG  25   1.956   0.946   0.946
  177   1HH2  ARG  25          1HH2      ARG  25   2.286   4.028   4.028
  178   2HH2  ARG  25          2HH2      ARG  25   1.652   3.178   3.178
  179    H    LYS  26           H        LYS  26   3.520  -1.111  -1.111
  180    HA   LYS  26           HA       LYS  26   5.371  -3.309  -3.309
  181   1HB   LYS  26          2HB       LYS  26   4.390  -2.140  -2.140
  182   2HB   LYS  26          1HB       LYS  26   4.189  -3.883  -3.883
  183   1HG   LYS  26          2HG       LYS  26   6.470  -4.285  -4.285
  184   2HG   LYS  26          1HG       LYS  26   6.780  -2.662  -2.662
  185   1HD   LYS  26          2HD       LYS  26   5.709  -2.257  -2.257
  186   2HD   LYS  26          1HD       LYS  26   6.824  -3.610  -3.610
  187   1HE   LYS  26          2HE       LYS  26   7.912  -1.468  -1.468
  188   2HE   LYS  26          1HE       LYS  26   7.582  -0.952  -0.952
  189   1HZ   LYS  26          2HZ       LYS  26   8.905  -3.528  -3.528
  190   2HZ   LYS  26          1HZ       LYS  26   9.795  -2.096  -2.096
  191   3HZ   LYS  26          3HZ       LYS  26   8.853  -2.700  -2.700
  192    H    MET  27           H        MET  27   4.563  -5.502  -5.502
  193    HA   MET  27           HA       MET  27   1.675  -5.919  -5.919
  194   1HB   MET  27          2HB       MET  27   3.148  -5.503  -5.503
  195   2HB   MET  27          1HB       MET  27   2.665  -7.200  -7.200
  196   1HG   MET  27          2HG       MET  27   0.330  -6.519  -6.519
  197   2HG   MET  27          1HG       MET  27   0.814  -4.825  -4.825
  198   1HE   MET  27          2HE       MET  27  -0.340  -7.748  -7.748
  199   2HE   MET  27          1HE       MET  27  -1.327  -6.820  -6.820
  200   3HE   MET  27          3HE       MET  27  -0.049  -7.882  -7.882
  201    H    TRP  28           H        TRP  28   1.181  -8.239  -8.239
  202    HA   TRP  28           HA       TRP  28   3.295 -10.190 -10.190
  203   1HB   TRP  28          2HB       TRP  28   2.809 -10.289 -10.289
  204   2HB   TRP  28          1HB       TRP  28   4.075  -9.284  -9.284
  205    HD1  TRP  28           HD1      TRP  28   0.231  -8.761  -8.761
  206    HE1  TRP  28           HE1      TRP  28  -0.085  -6.476  -6.476
  207    HE3  TRP  28           HE3      TRP  28   5.083  -7.240  -7.240
  208    HZ2  TRP  28           HZ2      TRP  28   1.530  -4.306  -4.306
  209    HZ3  TRP  28           HZ3      TRP  28   5.674  -5.070  -5.070
  210    HH2  TRP  28           HH2      TRP  28   3.898  -3.592  -3.592
  211    H    CYS  29           H        CYS  29   0.983 -10.372 -10.372
  212    HA   CYS  29           HA       CYS  29  -0.815 -12.096 -12.096
  213   1HB   CYS  29          2HB       CYS  29   0.245 -12.453 -12.453
  214   2HB   CYS  29          1HB       CYS  29  -0.885 -13.532 -13.532
  215    H    ASP  30           H        ASP  30  -3.001 -12.319 -12.319
  216    HA   ASP  30           HA       ASP  30  -3.608 -10.026 -10.026
  217   1HB   ASP  30          2HB       ASP  30  -5.414  -9.339  -9.339
  218   2HB   ASP  30          1HB       ASP  30  -3.979  -9.503  -9.503
  219    H    ALA  31           H        ALA  31  -3.574 -12.011 -12.011
  220    HA   ALA  31           HA       ALA  31  -4.932 -13.297 -13.297
  221   1HB   ALA  31          2HB       ALA  31  -6.718 -11.678 -11.678
  222   2HB   ALA  31          1HB       ALA  31  -7.196 -13.118 -13.118
  223   3HB   ALA  31          3HB       ALA  31  -7.251 -13.120 -13.120
  224    H    PHE  32           H        PHE  32  -5.092 -13.955 -13.955
  225    HA   PHE  32           HA       PHE  32  -4.766 -16.855 -16.855
  226   1HB   PHE  32          2HB       PHE  32  -6.693 -15.483 -15.483
  227   2HB   PHE  32          1HB       PHE  32  -6.328 -17.205 -17.205
  228    HD1  PHE  32           HD2      PHE  32  -6.413 -18.506 -18.506
  229    HD2  PHE  32           HD1      PHE  32  -8.483 -14.843 -14.843
  230    HE1  PHE  32           HE2      PHE  32  -8.010 -18.975 -18.975
  231    HE2  PHE  32           HE1      PHE  32 -10.081 -15.313 -15.313
  232    HZ   PHE  32           HZ       PHE  32  -9.844 -17.379 -17.379
  233    H    CYS  33           H        CYS  33  -3.557 -14.174 -14.174
  234    HA   CYS  33           HA       CYS  33  -2.089 -13.948 -13.948
  235   1HB   CYS  33          2HB       CYS  33  -1.011 -15.306 -15.306
  236   2HB   CYS  33          1HB       CYS  33  -1.026 -16.624 -16.624
  237    H    SER  34           H        SER  34  -4.604 -15.261 -15.261
  238    HA   SER  34           HA       SER  34  -3.824 -16.496 -16.496
  239   1HB   SER  34          2HB       SER  34  -4.655 -18.751 -18.751
  240   2HB   SER  34          1HB       SER  34  -3.340 -18.293 -18.293
  241    HG   SER  34           HG       SER  34  -5.324 -17.412 -17.412
  242    H    SER  35           H        SER  35  -6.360 -15.888 -15.888
  243    HA   SER  35           HA       SER  35  -8.601 -16.387 -16.387
  244   1HB   SER  35          2HB       SER  35  -8.025 -15.202 -15.202
  245   2HB   SER  35          1HB       SER  35  -9.501 -14.629 -14.629
  246    HG   SER  35           HG       SER  35 -10.134 -16.802 -16.802
  247    H    ARG  36           H        ARG  36  -8.368 -13.198 -13.198
  248    HA   ARG  36           HA       ARG  36  -8.932 -11.969 -11.969
  249   1HB   ARG  36          2HB       ARG  36  -8.510 -10.666 -10.666
  250   2HB   ARG  36          1HB       ARG  36  -9.452 -10.045 -10.045
  251   1HG   ARG  36          2HG       ARG  36 -10.097 -12.543 -12.543
  252   2HG   ARG  36          1HG       ARG  36 -10.926 -10.993 -10.993
  253   1HD   ARG  36          2HD       ARG  36 -12.099 -11.298 -11.298
  254   2HD   ARG  36          1HD       ARG  36 -10.747 -12.123 -12.123
  255    HE   ARG  36           HE       ARG  36 -11.494 -14.178 -14.178
  256   1HH1  ARG  36          2HH1      ARG  36 -11.784 -13.659 -13.659
  257   2HH1  ARG  36          1HH1      ARG  36 -13.496 -13.626 -13.626
  258   1HH2  ARG  36          1HH2      ARG  36 -14.266 -13.188 -13.188
  259   2HH2  ARG  36          2HH2      ARG  36 -14.901 -13.360 -13.360
  260    H    GLY  37           H        GLY  37  -6.459 -12.985 -12.985
  261   1HA   GLY  37          2HA       GLY  37  -4.198 -12.457 -12.457
  262   2HA   GLY  37          1HA       GLY  37  -4.783 -10.808 -10.808
  263    H    LYS  38           H        LYS  38  -2.803 -10.051 -10.051
  264    HA   LYS  38           HA       LYS  38  -2.585 -10.694 -10.694
  265   1HB   LYS  38          2HB       LYS  38  -0.942  -8.681  -8.681
  266   2HB   LYS  38          1HB       LYS  38  -0.458  -9.729  -9.729
  267   1HG   LYS  38          2HG       LYS  38  -0.943 -10.499 -10.499
  268   2HG   LYS  38          1HG       LYS  38   0.559 -10.628 -10.628
  269   1HD   LYS  38          2HD       LYS  38  -0.015 -12.666 -12.666
  270   2HD   LYS  38          1HD       LYS  38  -1.557 -12.057 -12.057
  271   1HE   LYS  38          2HE       LYS  38  -2.380 -12.172 -12.172
  272   2HE   LYS  38          1HE       LYS  38  -0.931 -13.147 -13.147
  273   1HZ   LYS  38          1HZ       LYS  38  -2.768 -13.712 -13.712
  274   2HZ   LYS  38          3HZ       LYS  38  -2.971 -14.420 -14.420
  275   3HZ   LYS  38          2HZ       LYS  38  -1.554 -14.715 -14.715
  276    H    VAL  39           H        VAL  39  -1.491  -7.949  -7.949
  277    HA   VAL  39           HA       VAL  39  -4.065  -6.412  -6.412
  278    HB   VAL  39           HB       VAL  39  -1.772  -5.971  -5.971
  279   1HG1  VAL  39          1HG1      VAL  39  -4.551  -5.120  -5.120
  280   2HG1  VAL  39          3HG1      VAL  39  -4.220  -5.745  -5.745
  281   3HG1  VAL  39          2HG1      VAL  39  -3.266  -4.408  -4.408
  282   1HG2  VAL  39          2HG2      VAL  39  -2.464  -8.445  -8.445
  283   2HG2  VAL  39          1HG2      VAL  39  -2.578  -7.629  -7.629
  284   3HG2  VAL  39          3HG2      VAL  39  -4.031  -7.901  -7.901
  285    H    VAL  40           H        VAL  40  -2.505  -4.070  -4.070
  286    HA   VAL  40           HA       VAL  40  -0.445  -3.530  -3.530
  287    HB   VAL  40           HB       VAL  40  -3.221  -2.309  -2.309
  288   1HG1  VAL  40          1HG1      VAL  40  -0.696  -1.059  -1.059
  289   2HG1  VAL  40          3HG1      VAL  40  -1.333  -1.341  -1.341
  290   3HG1  VAL  40          2HG1      VAL  40  -2.274  -0.414  -0.414
  291   1HG2  VAL  40          3HG2      VAL  40  -1.466  -4.047  -4.047
  292   2HG2  VAL  40          2HG2      VAL  40  -3.199  -4.180  -4.180
  293   3HG2  VAL  40          1HG2      VAL  40  -2.584  -2.929  -2.929
  294    H    GLU  41           H        GLU  41   0.648  -3.097  -3.097
  295    HA   GLU  41           HA       GLU  41  -0.458  -0.921  -0.921
  296   1HB   GLU  41          2HB       GLU  41   1.725  -2.927  -2.927
  297   2HB   GLU  41          1HB       GLU  41   0.869  -1.939  -1.939
  298   1HG   GLU  41          2HG       GLU  41  -1.112  -3.284  -3.284
  299   2HG   GLU  41          1HG       GLU  41   0.096  -4.488  -4.488
  300    H    LEU  42           H        LEU  42   0.354   0.680   0.680
  301    HA   LEU  42           HA       LEU  42   3.227   1.020   1.020
  302   1HB   LEU  42          2HB       LEU  42   1.319   3.285   3.285
  303   2HB   LEU  42          1HB       LEU  42   2.582   2.710   2.710
  304    HG   LEU  42           HG       LEU  42   0.844   0.595   0.595
  305   1HD1  LEU  42          1HD1      LEU  42  -0.695   2.150   2.150
  306   2HD1  LEU  42          3HD1      LEU  42  -0.895   3.060   3.060
  307   3HD1  LEU  42          2HD1      LEU  42  -1.395   1.369   1.369
  308   1HD2  LEU  42          3HD2      LEU  42   1.646   2.805   2.805
  309   2HD2  LEU  42          2HD2      LEU  42   1.233   1.154   1.154
  310   3HD2  LEU  42          1HD2      LEU  42  -0.033   2.370   2.370
  311    H    GLY  43           H        GLY  43   3.747   3.636   3.636
  312   1HA   GLY  43          2HA       GLY  43   2.869   5.050   5.050
  313   2HA   GLY  43          1HA       GLY  43   3.770   3.759   3.759
  314    H    CYS  44           H        CYS  44   5.660   4.795   4.795
  315    HA   CYS  44           HA       CYS  44   7.117   6.441   6.441
  316   1HB   CYS  44          2HB       CYS  44   7.274   6.483   6.483
  317   2HB   CYS  44          1HB       CYS  44   7.971   7.649   7.649
  318    H    ALA  45           H        ALA  45   9.501   6.329   6.329
  319    HA   ALA  45           HA       ALA  45  10.794   4.248   4.248
  320   1HB   ALA  45          1HB       ALA  45   9.396   3.389   3.389
  321   2HB   ALA  45          3HB       ALA  45  11.005   3.639   3.639
  322   3HB   ALA  45          2HB       ALA  45  10.783   2.539   2.539
  323    H    ALA  46           H        ALA  46  13.035   4.539   4.539
  324    HA   ALA  46           HA       ALA  46  14.137   7.008   7.008
  325   1HB   ALA  46          1HB       ALA  46  14.898   4.931   4.931
  326   2HB   ALA  46          3HB       ALA  46  15.854   4.570   4.570
  327   3HB   ALA  46          2HB       ALA  46  16.057   6.113   6.113
  328    H    THR  47           H        THR  47  14.117   3.869   3.869
  329    HA   THR  47           HA       THR  47  14.409   5.195   5.195
  330    HB   THR  47           HB       THR  47  16.594   3.620   3.620
  331    HG1  THR  47           HG1      THR  47  17.518   3.258   3.258
  332   1HG2  THR  47          3HG2      THR  47  16.128   6.260   6.260
  333   2HG2  THR  47          2HG2      THR  47  17.076   6.213   6.213
  334   3HG2  THR  47          1HG2      THR  47  17.761   5.594   5.594
  335    H    CYS  48           H        CYS  48  13.987   3.709   3.709
  336    HA   CYS  48           HA       CYS  48  12.172   1.667   1.667
  337   1HB   CYS  48          2HB       CYS  48  14.525   1.778   1.778
  338   2HB   CYS  48          1HB       CYS  48  13.044   0.856   0.856
  339    HA   PRO  49           HA       PRO  49  14.891  -1.143  -1.143
  340   1HB   PRO  49          2HB       PRO  49  12.867  -2.399  -2.399
  341   2HB   PRO  49          1HB       PRO  49  13.560  -0.854  -0.854
  342   1HG   PRO  49          2HG       PRO  49  11.004  -1.401  -1.401
  343   2HG   PRO  49          1HG       PRO  49  11.404  -0.146  -0.146
  344   1HD   PRO  49          2HD       PRO  49  11.211   0.232   0.232
  345   2HD   PRO  49          1HD       PRO  49  12.050   1.314   1.314
  346    H    SER  50           H        SER  50  15.425  -3.257  -3.257
  347    HA   SER  50           HA       SER  50  13.399  -4.944  -4.944
  348   1HB   SER  50          2HB       SER  50  15.962  -4.042  -4.042
  349   2HB   SER  50          1HB       SER  50  14.734  -5.095  -5.095
  350    HG   SER  50           HG       SER  50  13.401  -3.419  -3.419
  351    H    LYS  51           H        LYS  51  13.697  -6.775  -6.775
  352    HA   LYS  51           HA       LYS  51  16.176  -8.270  -8.270
  353   1HB   LYS  51          2HB       LYS  51  15.815  -6.339  -6.339
  354   2HB   LYS  51          1HB       LYS  51  15.901  -7.960  -7.960
  355   1HG   LYS  51          2HG       LYS  51  17.932  -8.257  -8.257
  356   2HG   LYS  51          1HG       LYS  51  17.952  -6.493  -6.493
  357   1HD   LYS  51          2HD       LYS  51  18.337  -6.384  -6.384
  358   2HD   LYS  51          1HD       LYS  51  17.882  -8.072  -8.072
  359   1HE   LYS  51          2HE       LYS  51  19.879  -8.807  -8.807
  360   2HE   LYS  51          1HE       LYS  51  20.337  -7.113  -7.113
  361   1HZ   LYS  51          3HZ       LYS  51  19.843  -8.277  -8.277
  362   2HZ   LYS  51          2HZ       LYS  51  21.389  -8.145  -8.145
  363   3HZ   LYS  51          1HZ       LYS  51  20.485  -6.747  -6.747
  364    H    LYS  52           H        LYS  52  13.671  -9.079  -9.079
  365    HA   LYS  52           HA       LYS  52  13.211 -11.391 -11.391
  366   1HB   LYS  52          2HB       LYS  52  11.589  -8.895  -8.895
  367   2HB   LYS  52          1HB       LYS  52  10.717 -10.427 -10.427
  368   1HG   LYS  52          2HG       LYS  52  12.725 -11.040 -11.040
  369   2HG   LYS  52          1HG       LYS  52  12.683  -9.295  -9.295
  370   1HD   LYS  52          2HD       LYS  52  10.224 -11.056 -11.056
  371   2HD   LYS  52          1HD       LYS  52  11.186 -10.614 -10.614
  372   1HE   LYS  52          2HE       LYS  52   9.698  -8.726  -8.726
  373   2HE   LYS  52          1HE       LYS  52   9.389  -9.004  -9.004
  374   1HZ   LYS  52          3HZ       LYS  52  11.884  -8.414  -8.414
  375   2HZ   LYS  52          2HZ       LYS  52  11.675  -7.657  -7.657
  376   3HZ   LYS  52          1HZ       LYS  52  10.754  -7.161  -7.161
  377    HA   PRO  53           HA       PRO  53  12.029 -12.044 -12.044
  378   1HB   PRO  53          2HB       PRO  53  12.377 -14.759 -14.759
  379   2HB   PRO  53          1HB       PRO  53  13.698 -13.604 -13.604
  380   1HG   PRO  53          2HG       PRO  53  12.868 -14.949 -14.949
  381   2HG   PRO  53          1HG       PRO  53  14.494 -14.686 -14.686
  382   1HD   PRO  53          2HD       PRO  53  13.491 -13.122 -13.122
  383   2HD   PRO  53          1HD       PRO  53  14.560 -12.479 -12.479
  384    H    TYR  54           H        TYR  54  10.383 -12.632 -12.632
  385    HA   TYR  54           HA       TYR  54   8.141 -13.962 -13.962
  386   1HB   TYR  54          2HB       TYR  54   7.617 -14.492 -14.492
  387   2HB   TYR  54          1HB       TYR  54   8.508 -15.580 -15.580
  388    HD1  TYR  54           HD1      TYR  54  11.074 -15.207 -15.207
  389    HD2  TYR  54           HD2      TYR  54   8.627 -13.680 -13.680
  390    HE1  TYR  54           HE1      TYR  54  13.081 -14.968 -14.968
  391    HE2  TYR  54           HE2      TYR  54  10.636 -13.447 -13.447
  392    HH   TYR  54           HH       TYR  54  13.681 -13.406 -13.406
  393    H    GLU  55           H        GLU  55   9.138 -11.081 -11.081
  394    HA   GLU  55           HA       GLU  55   6.391 -10.306 -10.306
  395   1HB   GLU  55          2HB       GLU  55   9.199  -9.457  -9.457
  396   2HB   GLU  55          1HB       GLU  55   7.930  -8.240  -8.240
  397   1HG   GLU  55          2HG       GLU  55   6.863 -10.508 -10.508
  398   2HG   GLU  55          1HG       GLU  55   8.544 -10.457 -10.457
  399    H    GLU  56           H        GLU  56   6.433  -7.609  -7.609
  400    HA   GLU  56           HA       GLU  56   7.288  -7.084  -7.084
  401   1HB   GLU  56          2HB       GLU  56   4.530  -7.757  -7.757
  402   2HB   GLU  56          1HB       GLU  56   4.676  -6.428  -6.428
  403   1HG   GLU  56          2HG       GLU  56   6.040  -7.902  -7.902
  404   2HG   GLU  56          1HG       GLU  56   5.772  -9.233  -9.233
  405    H    VAL  57           H        VAL  57   8.442  -5.281  -5.281
  406    HA   VAL  57           HA       VAL  57   6.747  -3.157  -3.157
  407    HB   VAL  57           HB       VAL  57   9.076  -2.341  -2.341
  408   1HG1  VAL  57          2HG1      VAL  57   7.358  -4.339  -4.339
  409   2HG1  VAL  57          1HG1      VAL  57   9.007  -4.917  -4.917
  410   3HG1  VAL  57          3HG1      VAL  57   8.517  -3.352  -3.352
  411   1HG2  VAL  57          1HG2      VAL  57  10.208  -3.774  -3.774
  412   2HG2  VAL  57          3HG2      VAL  57  10.904  -3.871  -3.871
  413   3HG2  VAL  57          2HG2      VAL  57   9.856  -5.162  -5.162
  414    H    THR  58           H        THR  58   7.052  -0.963  -0.963
  415    HA   THR  58           HA       THR  58   8.554  -0.696  -0.696
  416    HB   THR  58           HB       THR  58   5.847   0.528   0.528
  417    HG1  THR  58           HG1      THR  58   4.905  -1.484  -1.484
  418   1HG2  THR  58          3HG2      THR  58   7.712   0.224   0.224
  419   2HG2  THR  58          2HG2      THR  58   6.683  -1.174  -1.174
  420   3HG2  THR  58          1HG2      THR  58   5.991   0.448   0.448
  421    H    CYS  59           H        CYS  59   7.776   1.896   1.896
  422    HA   CYS  59           HA       CYS  59   8.312   3.489   3.489
  423   1HB   CYS  59          2HB       CYS  59   9.896   3.213   3.213
  424   2HB   CYS  59          1HB       CYS  59   9.738   4.837   4.837
  425    H    CYS  60           H        CYS  60   8.190   5.876   5.876
  426    HA   CYS  60           HA       CYS  60   6.665   6.682   6.682
  427   1HB   CYS  60          2HB       CYS  60   4.602   6.079   6.079
  428   2HB   CYS  60          1HB       CYS  60   5.258   5.560   5.560
  429    H    SER  61           H        SER  61   7.649   8.634   8.634
  430    HA   SER  61           HA       SER  61   8.310  10.261  10.261
  431   1HB   SER  61          2HB       SER  61  10.203  10.891  10.891
  432   2HB   SER  61          1HB       SER  61   9.909   9.341   9.341
  433    HG   SER  61           HG       SER  61  10.214  11.307  11.307
  434    H    THR  62           H        THR  62   6.130  10.213  10.213
  435    HA   THR  62           HA       THR  62   5.964  13.104  13.104
  436    HB   THR  62           HB       THR  62   3.645  11.412  11.412
  437    HG1  THR  62           HG1      THR  62   4.737   9.850   9.850
  438   1HG2  THR  62          1HG2      THR  62   4.800  13.764  13.764
  439   2HG2  THR  62          3HG2      THR  62   5.275  12.608  12.608
  440   3HG2  THR  62          2HG2      THR  62   3.568  12.847  12.847
  441    H    ASP  63           H        ASP  63   3.516  13.987  13.987
  442    HA   ASP  63           HA       ASP  63   3.015  14.112  14.112
  443   1HB   ASP  63          2HB       ASP  63   1.507  15.008  15.008
  444   2HB   ASP  63          1HB       ASP  63   1.023  15.440  15.440
  445    H    LYS  64           H        LYS  64   1.832  12.642  12.642
  446    HA   LYS  64           HA       LYS  64   0.466  10.745  10.745
  447   1HB   LYS  64          2HB       LYS  64  -1.193  12.260  12.260
  448   2HB   LYS  64          1HB       LYS  64  -1.810  11.151  11.151
  449   1HG   LYS  64          2HG       LYS  64  -2.003  12.931  12.931
  450   2HG   LYS  64          1HG       LYS  64  -0.241  12.972  12.972
  451   1HD   LYS  64          2HD       LYS  64  -0.378  14.325  14.325
  452   2HD   LYS  64          1HD       LYS  64  -2.086  14.536  14.536
  453   1HE   LYS  64          2HE       LYS  64  -1.281  15.353  15.353
  454   2HE   LYS  64          1HE       LYS  64   0.315  15.507  15.507
  455   1HZ   LYS  64          1HZ       LYS  64  -1.174  16.587  16.587
  456   2HZ   LYS  64          3HZ       LYS  64  -2.150  16.973  16.973
  457   3HZ   LYS  64          2HZ       LYS  64  -0.538  17.507  17.507
  458    H    CYS  65           H        CYS  65   2.436  10.041  10.041
  459    HA   CYS  65           HA       CYS  65   1.158   8.802   8.802
  460   1HB   CYS  65          2HB       CYS  65   3.606   8.045   8.045
  461   2HB   CYS  65          1HB       CYS  65   3.225   9.753   9.753
  462    H    ASN  66           H        ASN  66   0.687   7.882   7.882
  463    HA   ASN  66           HA       ASN  66   1.706   5.090   5.090
  464   1HB   ASN  66          2HB       ASN  66   1.358   7.034   7.034
  465   2HB   ASN  66          1HB       ASN  66   0.428   5.588   5.588
  466   1HD2  ASN  66          2HD2      ASN  66   4.331   4.695   4.695
  467   2HD2  ASN  66          1HD2      ASN  66   3.405   5.535   5.535
  468    HA   PRO  67           HA       PRO  67  -3.074   4.983   4.983
  469   1HB   PRO  67          2HB       PRO  67  -3.920   5.661   5.661
  470   2HB   PRO  67          1HB       PRO  67  -3.764   6.847   6.847
  471   1HG   PRO  67          2HG       PRO  67  -2.012   6.368   6.368
  472   2HG   PRO  67          1HG       PRO  67  -2.352   7.868   7.868
  473   1HD   PRO  67          2HD       PRO  67  -0.058   6.308   6.308
  474   2HD   PRO  67          1HD       PRO  67  -0.604   7.567   7.567
  475    H    HIS  68           H        HIS  68  -2.111   2.731   2.731
  476    HA   HIS  68           HA       HIS  68  -1.223   1.256   1.256
  477   1HB   HIS  68          2HB       HIS  68  -2.302  -0.682  -0.682
  478   2HB   HIS  68          1HB       HIS  68  -1.448   0.386   0.386
  479    HD1  HIS  68           HD1      HIS  68  -4.490  -1.392  -1.392
  480    HD2  HIS  68           HD2      HIS  68  -3.507   2.470   2.470
  481    HE1  HIS  68           HE1      HIS  68  -6.401  -0.595  -0.595
  482    HA   PRO  69           HA       PRO  69  -4.519   1.264   1.264
  483   1HB   PRO  69          2HB       PRO  69  -3.709  -0.819  -0.819
  484   2HB   PRO  69          1HB       PRO  69  -2.894   0.756   0.756
  485   1HG   PRO  69          2HG       PRO  69  -2.042  -1.811  -1.811
  486   2HG   PRO  69          1HG       PRO  69  -1.074  -0.428  -0.428
  487   1HD   PRO  69          2HD       PRO  69  -1.777  -1.125  -1.125
  488   2HD   PRO  69          1HD       PRO  69  -0.962   0.356   0.356
  489    H    LYS  70           H        LYS  70  -6.252   0.554   0.554
  490    HA   LYS  70           HA       LYS  70  -7.188  -2.159  -2.159
  491   1HB   LYS  70          2HB       LYS  70  -5.963  -1.356  -1.356
  492   2HB   LYS  70          1HB       LYS  70  -7.577  -2.017  -2.017
  493   1HG   LYS  70          2HG       LYS  70  -5.147  -3.338  -3.338
  494   2HG   LYS  70          1HG       LYS  70  -6.215  -3.911  -3.911
  495   1HD   LYS  70          2HD       LYS  70  -6.670  -3.917  -3.917
  496   2HD   LYS  70          1HD       LYS  70  -6.798  -5.254  -5.254
  497   1HE   LYS  70          2HE       LYS  70  -8.998  -4.842  -4.842
  498   2HE   LYS  70          1HE       LYS  70  -8.666  -3.165  -3.165
  499   1HZ   LYS  70          1HZ       LYS  70  -8.185  -3.374  -3.374
  500   2HZ   LYS  70          3HZ       LYS  70  -9.653  -4.171  -4.171
  501   3HZ   LYS  70          2HZ       LYS  70  -9.464  -2.554  -2.554
  502    H    GLN  71           H        GLN  71  -8.377   0.175   0.175
  503    HA   GLN  71           HA       GLN  71 -10.680   0.557   0.557
  504   1HB   GLN  71          2HB       GLN  71  -9.913   2.281   2.281
  505   2HB   GLN  71          1HB       GLN  71 -10.885   2.717   2.717
  506   1HG   GLN  71          2HG       GLN  71  -8.416   1.827   1.827
  507   2HG   GLN  71          1HG       GLN  71  -8.024   2.876   2.876
  508   1HE2  GLN  71          2HE2      GLN  71  -8.434   5.075   5.075
  509   2HE2  GLN  71          1HE2      GLN  71  -7.362   3.847   3.847
  510    H    ARG  72           H        ARG  72 -11.140  -1.728  -1.728
  511    HA   ARG  72           HA       ARG  72 -13.262  -1.241  -1.241
  512   1HB   ARG  72          2HB       ARG  72 -11.034  -1.250  -1.250
  513   2HB   ARG  72          1HB       ARG  72 -10.883  -2.947  -2.947
  514   1HG   ARG  72          2HG       ARG  72 -13.058  -3.416  -3.416
  515   2HG   ARG  72          1HG       ARG  72 -13.141  -1.730  -1.730
  516   1HD   ARG  72          2HD       ARG  72 -10.620  -2.452  -2.452
  517   2HD   ARG  72          1HD       ARG  72 -11.553  -3.938  -3.938
  518    HE   ARG  72           HE       ARG  72 -12.981  -1.538  -1.538
  519   1HH1  ARG  72          1HH1      ARG  72 -12.383  -3.919  -3.919
  520   2HH1  ARG  72          2HH1      ARG  72 -13.265  -4.164  -4.164
  521   1HH2  ARG  72          1HH2      ARG  72 -10.714  -1.109  -1.109
  522   2HH2  ARG  72          2HH2      ARG  72 -10.938  -2.189  -2.189
  523    HA   PRO  73           HA       PRO  73 -14.447  -4.815  -4.815
  524   1HB   PRO  73          2HB       PRO  73 -16.981  -5.011  -5.011
  525   2HB   PRO  73          1HB       PRO  73 -16.525  -3.819  -3.819
  526   1HG   PRO  73          2HG       PRO  73 -16.879  -3.466  -3.466
  527   2HG   PRO  73          1HG       PRO  73 -17.308  -2.378  -2.378
  528   1HD   PRO  73          2HD       PRO  73 -15.094  -2.055  -2.055
  529   2HD   PRO  73          1HD       PRO  73 -15.210  -1.476  -1.476
  530    H    GLY  74           HN       GLY  74 -14.927  -7.072  -7.072
  531   1HA   GLY  74          2HA       GLY  74 -15.196  -7.906  -7.906
  532   2HA   GLY  74          1HA       GLY  74 -13.611  -8.259  -8.259
  533   1H    MET   1          3H        MET  75 -13.095  -5.359  -5.359
  534   2H    MET   1          2H        MET  75 -14.739  -4.937  -4.937
  535   3H    MET   1          1H        MET  75 -13.651  -4.347  -4.347
  536    HA   MET   1           HA       MET  75 -13.997  -2.540  -2.540
  537   1HB   MET   1          2HB       MET  75 -14.251  -4.830  -4.830
  538   2HB   MET   1          1HB       MET  75 -13.405  -3.460  -3.460
  539   1HG   MET   1          2HG       MET  75 -15.727  -2.592  -2.592
  540   2HG   MET   1          1HG       MET  75 -16.175  -3.740  -3.740
  541   1HE   MET   1          3HE       MET  75 -16.805  -3.133  -3.133
  542   2HE   MET   1          2HE       MET  75 -15.152  -3.468  -3.468
  543   3HE   MET   1          1HE       MET  75 -15.976  -2.031  -2.031
  544    H    ARG   2           H        ARG  76 -11.914  -2.295  -2.295
  545    HA   ARG   2           HA       ARG  76  -9.703  -1.603  -1.603
  546   1HB   ARG   2          2HB       ARG  76 -10.068  -4.401  -4.401
  547   2HB   ARG   2          1HB       ARG  76  -8.669  -3.975  -3.975
  548   1HG   ARG   2          2HG       ARG  76  -7.386  -3.538  -3.538
  549   2HG   ARG   2          1HG       ARG  76  -8.674  -2.640  -2.640
  550   1HD   ARG   2          2HD       ARG  76  -9.162  -5.551  -5.551
  551   2HD   ARG   2          1HD       ARG  76  -7.777  -5.089  -5.089
  552    HE   ARG   2           HE       ARG  76  -9.949  -3.312  -3.312
  553   1HH1  ARG   2          1HH2      ARG  76  -8.146  -5.687  -5.687
  554   2HH1  ARG   2          2HH2      ARG  76  -9.394  -6.326  -6.326
  555   1HH2  ARG   2          2HH1      ARG  76 -11.928  -4.517  -4.517
  556   2HH2  ARG   2          1HH1      ARG  76 -11.536  -5.663  -5.663
  557    H    TYR   3           H        TYR  77  -7.655  -1.357  -1.357
  558    HA   TYR   3           HA       TYR  77  -8.304  -0.695  -0.695
  559   1HB   TYR   3          2HB       TYR  77  -5.604  -0.085  -0.085
  560   2HB   TYR   3          1HB       TYR  77  -6.788   1.008   1.008
  561    HD1  TYR   3           HD1      TYR  77  -8.553   2.039   2.039
  562    HD2  TYR   3           HD2      TYR  77  -5.326  -0.290  -0.290
  563    HE1  TYR   3           HE1      TYR  77  -9.004   2.974   2.974
  564    HE2  TYR   3           HE2      TYR  77  -5.766   0.648   0.648
  565    HH   TYR   3           HH       TYR  77  -8.129   1.712   1.712
  566    H    TYR   4           H        TYR  78  -8.293  -3.303  -3.303
  567    HA   TYR   4           HA       TYR  78  -5.812  -4.688  -4.688
  568   1HB   TYR   4          2HB       TYR  78  -8.699  -5.155  -5.155
  569   2HB   TYR   4          1HB       TYR  78  -7.741  -6.329  -6.329
  570    HD1  TYR   4           HD2      TYR  78  -6.466  -4.636  -4.636
  571    HD2  TYR   4           HD1      TYR  78  -8.287  -8.188  -8.188
  572    HE1  TYR   4           HE2      TYR  78  -5.960  -5.835  -5.835
  573    HE2  TYR   4           HE1      TYR  78  -7.785  -9.386  -9.386
  574    HH   TYR   4           HH       TYR  78  -5.783  -8.901  -8.901
  575    H    GLU   5           H        GLU  79  -6.041  -6.527  -6.527
  576    HA   GLU   5           HA       GLU  79  -5.251  -4.981  -4.981
  577   1HB   GLU   5          2HB       GLU  79  -3.699  -6.628  -6.628
  578   2HB   GLU   5          1HB       GLU  79  -4.961  -7.859  -7.859
  579   1HG   GLU   5          2HG       GLU  79  -4.763  -6.673  -6.673
  580   2HG   GLU   5          1HG       GLU  79  -3.257  -7.440  -7.440
  581    H    SER   6           H        SER  80  -8.099  -5.257  -5.257
  582    HA   SER   6           HA       SER  80  -9.096  -6.469  -6.469
  583   1HB   SER   6          2HB       SER  80  -9.809  -7.187  -7.187
  584   2HB   SER   6          1HB       SER  80 -10.955  -7.461  -7.461
  585    HG   SER   6           HG       SER  80  -9.668  -8.957  -8.957
  586    H    SER   7           H        SER  81  -8.900  -3.770  -3.770
  587    HA   SER   7           HA       SER  81 -10.811  -2.191  -2.191
  588   1HB   SER   7          2HB       SER  81 -12.640  -3.501  -3.501
  589   2HB   SER   7          1HB       SER  81 -11.915  -3.849  -3.849
  590    HG   SER   7           HG       SER  81 -13.090  -1.445  -1.445
  591    H    LEU   8           H        LEU  82 -11.396  -0.186  -0.186
  592    HA   LEU   8           HA       LEU  82  -9.335   0.175   0.175
  593   1HB   LEU   8          2HB       LEU  82  -9.897   1.658   1.658
  594   2HB   LEU   8          1HB       LEU  82  -9.548   2.650   2.650
  595    HG   LEU   8           HG       LEU  82  -7.586   0.925   0.925
  596   1HD1  LEU   8          1HD1      LEU  82  -8.188   0.754   0.754
  597   2HD1  LEU   8          3HD1      LEU  82  -6.689   0.196   0.196
  598   3HD1  LEU   8          2HD1      LEU  82  -8.219  -0.579  -0.579
  599   1HD2  LEU   8          3HD2      LEU  82  -7.850   3.431   3.431
  600   2HD2  LEU   8          2HD2      LEU  82  -6.549   2.891   2.891
  601   3HD2  LEU   8          1HD2      LEU  82  -6.530   2.456   2.456
  602    H    LYS   9           H        LYS  83 -12.540   0.961   0.961
  603    HA   LYS   9           HA       LYS  83 -13.140   2.426   2.426
  604   1HB   LYS   9          2HB       LYS  83 -13.795   2.732   2.732
  605   2HB   LYS   9          1HB       LYS  83 -15.277   2.575   2.575
  606   1HG   LYS   9          2HG       LYS  83 -14.487   4.944   4.944
  607   2HG   LYS   9          1HG       LYS  83 -14.582   4.378   4.378
  608   1HD   LYS   9          2HD       LYS  83 -12.307   4.382   4.382
  609   2HD   LYS   9          1HD       LYS  83 -11.996   3.936   3.936
  610   1HE   LYS   9          2HE       LYS  83 -13.222   6.614   6.614
  611   2HE   LYS   9          1HE       LYS  83 -11.542   6.436   6.436
  612   1HZ   LYS   9          1HZ       LYS  83 -12.221   5.175   5.175
  613   2HZ   LYS   9          3HZ       LYS  83 -12.187   6.870   6.870
  614   3HZ   LYS   9          2HZ       LYS  83 -10.806   5.997   5.997
  615    H    SER  10           H        SER  84 -12.977  -0.186  -0.186
  616    HA   SER  10           HA       SER  84 -15.696  -1.380  -1.380
  617   1HB   SER  10          2HB       SER  84 -13.357  -2.778  -2.778
  618   2HB   SER  10          1HB       SER  84 -14.606  -3.425  -3.425
  619    HG   SER  10           HG       SER  84 -12.325  -1.890  -1.890
  620    H    TYR  11           H        TYR  85 -14.190   0.585   0.585
  621    HA   TYR  11           HA       TYR  85 -15.495  -0.740  -0.740
  622   1HB   TYR  11          2HB       TYR  85 -13.748   0.713   0.713
  623   2HB   TYR  11          1HB       TYR  85 -13.147  -0.678  -0.678
  624    HD1  TYR  11           HD1      TYR  85 -13.769   3.000   3.000
  625    HD2  TYR  11           HD2      TYR  85 -11.559  -0.398  -0.398
  626    HE1  TYR  11           HE1      TYR  85 -12.349   4.497   4.497
  627    HE2  TYR  11           HE2      TYR  85 -10.144   1.099   1.099
  628    HH   TYR  11           HH       TYR  85  -9.846   4.276   4.276
  629    HA   PRO  12           HA       PRO  86 -17.196   3.619   3.619
  630   1HB   PRO  12          2HB       PRO  86 -19.603   2.956   2.956
  631   2HB   PRO  12          1HB       PRO  86 -18.141   3.246   3.246
  632   1HG   PRO  12          2HG       PRO  86 -19.386   0.670   0.670
  633   2HG   PRO  12          1HG       PRO  86 -18.615   1.115   1.115
  634   1HD   PRO  12          2HD       PRO  86 -17.390  -0.380  -0.380
  635   2HD   PRO  12          1HD       PRO  86 -16.514   0.654   0.654
  636    H    ASP  13           HN       ASP  87 -17.385   3.581   3.581
  637    HA   ASP  13           HA       ASP  87 -18.952   2.049   2.049
  638   1HB   ASP  13          2HB       ASP  87 -18.130   4.910   4.910
  639   2HB   ASP  13          1HB       ASP  87 -19.361   4.498   4.498

  Start of MODEL   18
    1   1H    ILE   1          3H        ILE   1   8.817  14.700  14.700
    2   2H    ILE   1          2H        ILE   1   9.104  15.770  15.770
    3   3H    ILE   1          1H        ILE   1   8.001  16.185  16.185
    4    HA   ILE   1           HA       ILE   1   6.736  15.504  15.504
    5    HB   ILE   1           HB       ILE   1   7.250  13.236  13.236
    6   1HG1  ILE   1          2HG1      ILE   1   9.894  13.198  13.198
    7   2HG1  ILE   1          1HG1      ILE   1   8.526  12.804  12.804
    8   1HG2  ILE   1          2HG2      ILE   1   8.741  15.653  15.653
    9   2HG2  ILE   1          1HG2      ILE   1   9.892  14.319  14.319
   10   3HG2  ILE   1          3HG2      ILE   1   8.551  14.379  14.379
   11   1HD1  ILE   1          1HD1      ILE   1   7.841  11.308  11.308
   12   2HD1  ILE   1          3HD1      ILE   1   9.583  11.340  11.340
   13   3HD1  ILE   1          2HD1      ILE   1   8.937  10.706  10.706
   14    H    VAL   2           H        VAL   2   4.932  13.868  13.868
   15    HA   VAL   2           HA       VAL   2   4.663  12.708  12.708
   16    HB   VAL   2           HB       VAL   2   2.451  13.798  13.798
   17   1HG1  VAL   2          1HG1      VAL   2   2.364  12.300  12.300
   18   2HG1  VAL   2          3HG1      VAL   2   2.309  13.937  13.937
   19   3HG1  VAL   2          2HG1      VAL   2   1.096  13.411  13.411
   20   1HG2  VAL   2          2HG2      VAL   2   4.317  15.209  15.209
   21   2HG2  VAL   2          1HG2      VAL   2   3.802  15.711  15.711
   22   3HG2  VAL   2          3HG2      VAL   2   2.677  15.805  15.805
   23    H    CYS   3           H        CYS   3   3.311  10.777  10.777
   24    HA   CYS   3           HA       CYS   3   2.801   9.435   9.435
   25   1HB   CYS   3          2HB       CYS   3   4.075   8.112   8.112
   26   2HB   CYS   3          1HB       CYS   3   3.997   7.528   7.528
   27    H    HIS   4           H        HIS   4   1.254   7.581   7.581
   28    HA   HIS   4           HA       HIS   4  -0.778   8.148   8.148
   29   1HB   HIS   4          2HB       HIS   4  -0.876   6.085   6.085
   30   2HB   HIS   4          1HB       HIS   4  -2.215   6.868   6.868
   31    HD1  HIS   4           HD1      HIS   4  -1.523   9.774   9.774
   32    HD2  HIS   4           HD2      HIS   4  -1.039   7.086   7.086
   33    HE1  HIS   4           HE1      HIS   4  -1.519  11.155  11.155
   34    H    THR   5           H        THR   5  -1.502   6.533   6.533
   35    HA   THR   5           HA       THR   5   0.313   4.153   4.153
   36    HB   THR   5           HB       THR   5   0.664   4.489   4.489
   37    HG1  THR   5           HG1      THR   5  -1.451   4.094   4.094
   38   1HG2  THR   5          1HG2      THR   5  -0.331   7.247   7.247
   39   2HG2  THR   5          3HG2      THR   5   0.621   6.891   6.891
   40   3HG2  THR   5          2HG2      THR   5   1.320   6.650   6.650
   41    H    THR   6           H        THR   6  -0.848   2.557   2.557
   42    HA   THR   6           HA       THR   6  -3.732   2.282   2.282
   43    HB   THR   6           HB       THR   6  -2.865   0.041   0.041
   44    HG1  THR   6           HG1      THR   6  -0.791   1.087   1.087
   45   1HG2  THR   6          2HG2      THR   6  -4.780   1.681   1.681
   46   2HG2  THR   6          1HG2      THR   6  -3.608   2.647   2.647
   47   3HG2  THR   6          3HG2      THR   6  -3.986   1.007   1.007
   48    H    ALA   7           H        ALA   7  -0.622   1.329   1.329
   49    HA   ALA   7           HA       ALA   7  -1.540  -1.128  -1.128
   50   1HB   ALA   7          1HB       ALA   7   0.975   0.209   0.209
   51   2HB   ALA   7          3HB       ALA   7   1.056  -0.749  -0.749
   52   3HB   ALA   7          2HB       ALA   7   0.560  -1.511  -1.511
   53    H    THR   8           H        THR   8  -0.663   2.171   2.171
   54    HA   THR   8           HA       THR   8  -0.852   1.426   1.426
   55    HB   THR   8           HB       THR   8  -0.251   4.024   4.024
   56    HG1  THR   8           HG1      THR   8   0.320   4.795   4.795
   57   1HG2  THR   8          2HG2      THR   8   1.170   1.924   1.924
   58   2HG2  THR   8          1HG2      THR   8   1.853   2.148   2.148
   59   3HG2  THR   8          3HG2      THR   8   2.017   3.418   3.418
   60    H    SER   9           H        SER   9  -1.804   4.549   4.549
   61    HA   SER   9           HA       SER   9  -4.320   4.528   4.528
   62   1HB   SER   9          2HB       SER   9  -4.236   6.745   6.745
   63   2HB   SER   9          1HB       SER   9  -2.603   6.363   6.363
   64    HG   SER   9           HG       SER   9  -3.414   6.016   6.016
   65    HA   PRO  10           HA       PRO  10  -7.055   2.993   2.993
   66   1HB   PRO  10          2HB       PRO  10  -8.640   5.042   5.042
   67   2HB   PRO  10          1HB       PRO  10  -8.844   4.284   4.284
   68   1HG   PRO  10          2HG       PRO  10  -7.513   6.847   6.847
   69   2HG   PRO  10          1HG       PRO  10  -8.551   6.451   6.451
   70   1HD   PRO  10          2HD       PRO  10  -5.860   6.591   6.591
   71   2HD   PRO  10          1HD       PRO  10  -6.837   5.499   5.499
   72    H    ILE  11           H        ILE  11  -6.301   6.217   6.217
   73    HA   ILE  11           HA       ILE  11  -4.497   5.499   5.499
   74    HB   ILE  11           HB       ILE  11  -7.188   4.724   4.724
   75   1HG1  ILE  11          2HG1      ILE  11  -4.504   4.560   4.560
   76   2HG1  ILE  11          1HG1      ILE  11  -5.607   3.262   3.262
   77   1HG2  ILE  11          2HG2      ILE  11  -6.215   6.856   6.856
   78   2HG2  ILE  11          1HG2      ILE  11  -7.558   5.761   5.761
   79   3HG2  ILE  11          3HG2      ILE  11  -7.672   6.927   6.927
   80   1HD1  ILE  11          1HD1      ILE  11  -7.065   4.180   4.180
   81   2HD1  ILE  11          3HD1      ILE  11  -5.532   4.878   4.878
   82   3HD1  ILE  11          2HD1      ILE  11  -5.686   3.131   3.131
   83    H    SER  12           H        SER  12  -3.494   7.373   7.373
   84    HA   SER  12           HA       SER  12  -4.748   9.812   9.812
   85   1HB   SER  12          2HB       SER  12  -4.564  11.051  11.051
   86   2HB   SER  12          1HB       SER  12  -5.573   9.629   9.629
   87    HG   SER  12           HG       SER  12  -3.562   8.581   8.581
   88    H    ALA  13           H        ALA  13  -3.100  11.391  11.391
   89    HA   ALA  13           HA       ALA  13  -0.397  10.235  10.235
   90   1HB   ALA  13          1HB       ALA  13  -1.987  12.200  12.200
   91   2HB   ALA  13          3HB       ALA  13  -0.386  12.833  12.833
   92   3HB   ALA  13          2HB       ALA  13  -0.544  11.339  11.339
   93    H    VAL  14           H        VAL  14   0.562  10.419  10.419
   94    HA   VAL  14           HA       VAL  14   0.588  13.171  13.171
   95    HB   VAL  14           HB       VAL  14   0.683  12.194  12.194
   96   1HG1  VAL  14          3HG1      VAL  14  -1.353  11.475  11.475
   97   2HG1  VAL  14          2HG1      VAL  14  -0.634   9.869   9.869
   98   3HG1  VAL  14          1HG1      VAL  14  -1.110  10.720  10.720
   99   1HG2  VAL  14          1HG2      VAL  14   2.708  10.844  10.844
  100   2HG2  VAL  14          3HG2      VAL  14   1.514   9.924   9.924
  101   3HG2  VAL  14          2HG2      VAL  14   1.700   9.637   9.637
  102    H    THR  15           H        THR  15   2.549  14.080  14.080
  103    HA   THR  15           HA       THR  15   4.795  13.451  13.451
  104    HB   THR  15           HB       THR  15   4.944  14.670  14.670
  105    HG1  THR  15           HG1      THR  15   3.646  15.588  15.588
  106   1HG2  THR  15          1HG2      THR  15   6.557  14.611  14.611
  107   2HG2  THR  15          3HG2      THR  15   6.229  16.261  16.261
  108   3HG2  THR  15          2HG2      THR  15   7.008  15.119  15.119
  109    H    CYS  16           H        CYS  16   6.908  12.511  12.511
  110    HA   CYS  16           HA       CYS  16   6.661  10.668  10.668
  111   1HB   CYS  16          2HB       CYS  16   6.878  10.078  10.078
  112   2HB   CYS  16          1HB       CYS  16   7.907   9.111   9.111
  113    HA   PRO  17           HA       PRO  17  10.833  12.466  12.466
  114   1HB   PRO  17          2HB       PRO  17  10.669  13.700  13.700
  115   2HB   PRO  17          1HB       PRO  17  10.056  14.421  14.421
  116   1HG   PRO  17          2HG       PRO  17   8.573  13.396  13.396
  117   2HG   PRO  17          1HG       PRO  17   8.004  14.373  14.373
  118   1HD   PRO  17          2HD       PRO  17   7.787  11.491  11.491
  119   2HD   PRO  17          1HD       PRO  17   6.966  12.523  12.523
  120    HA   PRO  18           HA       PRO  18  11.419   9.575   9.575
  121   1HB   PRO  18          2HB       PRO  18  10.650   7.035   7.035
  122   2HB   PRO  18          1HB       PRO  18   9.572   8.191   8.191
  123   1HG   PRO  18          2HG       PRO  18   9.608   7.287   7.287
  124   2HG   PRO  18          1HG       PRO  18   8.254   7.827   7.827
  125   1HD   PRO  18          2HD       PRO  18   9.565   9.329   9.329
  126   2HD   PRO  18          1HD       PRO  18   8.461   9.958   9.958
  127    H    GLY  19           H        GLY  19  11.994   9.409   9.409
  128   1HA   GLY  19          2HA       GLY  19  14.649   9.065   9.065
  129   2HA   GLY  19          1HA       GLY  19  14.159   7.406   7.406
  130    H    GLU  20           H        GLU  20  11.564   8.230   8.230
  131    HA   GLU  20           HA       GLU  20  12.329   6.999   6.999
  132   1HB   GLU  20          2HB       GLU  20  10.091   6.732   6.732
  133   2HB   GLU  20          1HB       GLU  20   9.948   8.379   8.379
  134   1HG   GLU  20          2HG       GLU  20  10.465   7.936   7.936
  135   2HG   GLU  20          1HG       GLU  20   8.829   7.754   7.754
  136    H    ASN  21           H        ASN  21  12.701   7.894   7.894
  137    HA   ASN  21           HA       ASN  21  12.991  10.867  10.867
  138   1HB   ASN  21          2HB       ASN  21  14.576   8.516   8.516
  139   2HB   ASN  21          1HB       ASN  21  14.738  10.121  10.121
  140   1HD2  ASN  21          2HD2      ASN  21  16.059   9.494   9.494
  141   2HD2  ASN  21          1HD2      ASN  21  14.878   8.471   8.471
  142    H    LEU  22           H        LEU  22  11.397   8.068   8.068
  143    HA   LEU  22           HA       LEU  22  10.064   9.484   9.484
  144   1HB   LEU  22          2HB       LEU  22  10.790   7.853   7.853
  145   2HB   LEU  22          1HB       LEU  22  12.230   8.258   8.258
  146    HG   LEU  22           HG       LEU  22  11.116   6.213   6.213
  147   1HD1  LEU  22          3HD1      LEU  22   9.742   6.084   6.084
  148   2HD1  LEU  22          2HD1      LEU  22  11.121   5.060   5.060
  149   3HD1  LEU  22          1HD1      LEU  22  10.098   4.665   4.665
  150   1HD2  LEU  22          2HD2      LEU  22  13.378   6.610   6.610
  151   2HD2  LEU  22          1HD2      LEU  22  13.362   5.903   5.903
  152   3HD2  LEU  22          3HD2      LEU  22  12.915   4.923   4.923
  153    H    CYS  23           H        CYS  23   8.167   7.932   7.932
  154    HA   CYS  23           HA       CYS  23   7.045   6.576   6.576
  155   1HB   CYS  23          2HB       CYS  23   5.645   7.152   7.152
  156   2HB   CYS  23          1HB       CYS  23   4.925   6.898   6.898
  157    H    TYR  24           H        TYR  24   5.557   4.602   4.602
  158    HA   TYR  24           HA       TYR  24   6.830   3.129   3.129
  159   1HB   TYR  24          2HB       TYR  24   7.663   1.362   1.362
  160   2HB   TYR  24          1HB       TYR  24   8.189   2.862   2.862
  161    HD1  TYR  24           HD1      TYR  24   5.567   0.231   0.231
  162    HD2  TYR  24           HD2      TYR  24   7.467   3.445   3.445
  163    HE1  TYR  24           HE1      TYR  24   4.316  -0.377  -0.377
  164    HE2  TYR  24           HE2      TYR  24   6.220   2.834   2.834
  165    HH   TYR  24           HH       TYR  24   3.567   0.751   0.751
  166    H    ARG  25           H        ARG  25   5.869   0.815   0.815
  167    HA   ARG  25           HA       ARG  25   2.994   0.861   0.861
  168   1HB   ARG  25          2HB       ARG  25   3.934  -0.155  -0.155
  169   2HB   ARG  25          1HB       ARG  25   2.302   0.305   0.305
  170   1HG   ARG  25          2HG       ARG  25   3.388   2.667   2.667
  171   2HG   ARG  25          1HG       ARG  25   4.639   2.062   2.062
  172   1HD   ARG  25          2HD       ARG  25   3.063   1.719   1.719
  173   2HD   ARG  25          1HD       ARG  25   1.686   1.994   1.994
  174    HE   ARG  25           HE       ARG  25   2.930   4.327   4.327
  175   1HH1  ARG  25          2HH1      ARG  25   1.317   2.990   2.990
  176   2HH1  ARG  25          1HH1      ARG  25   1.899   4.108   4.108
  177   1HH2  ARG  25          1HH2      ARG  25   4.230   5.556   5.556
  178   2HH2  ARG  25          2HH2      ARG  25   3.548   5.561   5.561
  179    H    LYS  26           H        LYS  26   2.828  -1.023  -1.023
  180    HA   LYS  26           HA       LYS  26   4.557  -3.326  -3.326
  181   1HB   LYS  26          2HB       LYS  26   3.842  -2.070  -2.070
  182   2HB   LYS  26          1HB       LYS  26   3.418  -3.770  -3.770
  183   1HG   LYS  26          2HG       LYS  26   5.574  -4.402  -4.402
  184   2HG   LYS  26          1HG       LYS  26   6.002  -3.348  -3.348
  185   1HD   LYS  26          2HD       LYS  26   7.155  -2.809  -2.809
  186   2HD   LYS  26          1HD       LYS  26   6.295  -1.464  -1.464
  187   1HE   LYS  26          2HE       LYS  26   4.396  -1.778  -1.778
  188   2HE   LYS  26          1HE       LYS  26   5.148  -3.232  -3.232
  189   1HZ   LYS  26          1HZ       LYS  26   6.736  -0.776  -0.776
  190   2HZ   LYS  26          3HZ       LYS  26   5.524  -0.875  -0.875
  191   3HZ   LYS  26          2HZ       LYS  26   6.763  -2.036  -2.036
  192    H    MET  27           H        MET  27   3.663  -5.436  -5.436
  193    HA   MET  27           HA       MET  27   0.745  -5.724  -5.724
  194   1HB   MET  27          2HB       MET  27   2.287  -5.531  -5.531
  195   2HB   MET  27          1HB       MET  27   1.475  -7.092  -7.092
  196   1HG   MET  27          2HG       MET  27  -0.629  -6.159  -6.159
  197   2HG   MET  27          1HG       MET  27  -0.115  -4.677  -4.677
  198   1HE   MET  27          1HE       MET  27  -1.427  -6.158  -6.158
  199   2HE   MET  27          3HE       MET  27  -2.078  -4.549  -4.549
  200   3HE   MET  27          2HE       MET  27  -1.317  -4.884  -4.884
  201    H    TRP  28           H        TRP  28   0.156  -7.969  -7.969
  202    HA   TRP  28           HA       TRP  28   2.202 -10.018 -10.018
  203   1HB   TRP  28          2HB       TRP  28   1.771 -10.043 -10.043
  204   2HB   TRP  28          1HB       TRP  28   3.079  -9.135  -9.135
  205    HD1  TRP  28           HD1      TRP  28  -0.713  -8.352  -8.352
  206    HE1  TRP  28           HE1      TRP  28  -0.851  -6.032  -6.032
  207    HE3  TRP  28           HE3      TRP  28   4.234  -7.147  -7.147
  208    HZ2  TRP  28           HZ2      TRP  28   0.902  -3.947  -3.947
  209    HZ3  TRP  28           HZ3      TRP  28   4.980  -4.989  -4.989
  210    HH2  TRP  28           HH2      TRP  28   3.314  -3.381  -3.381
  211    H    CYS  29           H        CYS  29  -0.069  -9.994  -9.994
  212    HA   CYS  29           HA       CYS  29  -2.331 -11.132 -11.132
  213   1HB   CYS  29          2HB       CYS  29  -0.049 -12.768 -12.768
  214   2HB   CYS  29          1HB       CYS  29  -1.405 -13.294 -13.294
  215    H    ASP  30           H        ASP  30  -4.052 -10.747 -10.747
  216    HA   ASP  30           HA       ASP  30  -3.488  -9.987  -9.987
  217   1HB   ASP  30          2HB       ASP  30  -5.085  -8.883  -8.883
  218   2HB   ASP  30          1HB       ASP  30  -6.176 -10.225 -10.225
  219    H    ALA  31           H        ALA  31  -3.832 -11.332 -11.332
  220    HA   ALA  31           HA       ALA  31  -4.379 -13.297 -13.297
  221   1HB   ALA  31          2HB       ALA  31  -6.634 -12.670 -12.670
  222   2HB   ALA  31          1HB       ALA  31  -6.679 -14.223 -14.223
  223   3HB   ALA  31          3HB       ALA  31  -6.617 -12.725 -12.725
  224    H    PHE  32           H        PHE  32  -5.916 -14.532 -14.532
  225    HA   PHE  32           HA       PHE  32  -3.573 -16.322 -16.322
  226   1HB   PHE  32          2HB       PHE  32  -6.340 -16.953 -16.953
  227   2HB   PHE  32          1HB       PHE  32  -5.648 -18.025 -18.025
  228    HD1  PHE  32           HD2      PHE  32  -5.308 -16.731 -16.731
  229    HD2  PHE  32           HD1      PHE  32  -3.711 -19.413 -19.413
  230    HE1  PHE  32           HE2      PHE  32  -3.953 -17.849 -17.849
  231    HE2  PHE  32           HE1      PHE  32  -2.356 -20.531 -20.531
  232    HZ   PHE  32           HZ       PHE  32  -2.477 -19.750 -19.750
  233    H    CYS  33           H        CYS  33  -4.436 -14.035 -14.035
  234    HA   CYS  33           HA       CYS  33  -4.884 -13.470 -13.470
  235   1HB   CYS  33          2HB       CYS  33  -4.591 -16.457 -16.457
  236   2HB   CYS  33          1HB       CYS  33  -4.252 -15.174 -15.174
  237    H    SER  34           H        SER  34  -7.002 -12.868 -12.868
  238    HA   SER  34           HA       SER  34  -9.174 -14.868 -14.868
  239   1HB   SER  34          2HB       SER  34  -9.499 -11.983 -11.983
  240   2HB   SER  34          1HB       SER  34 -10.542 -12.981 -12.981
  241    HG   SER  34           HG       SER  34  -8.826 -11.308 -11.308
  242    H    SER  35           H        SER  35 -10.922 -13.549 -13.549
  243    HA   SER  35           HA       SER  35  -9.836 -14.732 -14.732
  244   1HB   SER  35          2HB       SER  35 -12.256 -14.861 -14.861
  245   2HB   SER  35          1HB       SER  35 -12.575 -13.636 -13.636
  246    HG   SER  35           HG       SER  35 -12.187 -15.078 -15.078
  247    H    ARG  36           H        ARG  36  -9.214 -11.938 -11.938
  248    HA   ARG  36           HA       ARG  36  -9.883 -10.358 -10.358
  249   1HB   ARG  36          2HB       ARG  36  -9.460  -9.209  -9.209
  250   2HB   ARG  36          1HB       ARG  36 -10.299  -8.483  -8.483
  251   1HG   ARG  36          2HG       ARG  36 -11.622 -10.927 -10.927
  252   2HG   ARG  36          1HG       ARG  36 -11.372 -10.156 -10.156
  253   1HD   ARG  36          2HD       ARG  36 -13.507  -9.411  -9.411
  254   2HD   ARG  36          1HD       ARG  36 -12.368  -8.054  -8.054
  255    HE   ARG  36           HE       ARG  36 -11.740  -8.631  -8.631
  256   1HH1  ARG  36          1HH2      ARG  36 -12.939 -10.598 -10.598
  257   2HH1  ARG  36          2HH2      ARG  36 -14.579 -10.161 -10.161
  258   1HH2  ARG  36          2HH1      ARG  36 -14.655  -7.566  -7.566
  259   2HH2  ARG  36          1HH1      ARG  36 -15.550  -8.445  -8.445
  260    H    GLY  37           H        GLY  37  -7.474 -11.967 -11.967
  261   1HA   GLY  37          2HA       GLY  37  -5.167 -11.694 -11.694
  262   2HA   GLY  37          1HA       GLY  37  -5.477  -9.977  -9.977
  263    H    LYS  38           H        LYS  38  -3.564  -9.479  -9.479
  264    HA   LYS  38           HA       LYS  38  -3.651 -10.203 -10.203
  265   1HB   LYS  38          2HB       LYS  38  -1.675  -8.402  -8.402
  266   2HB   LYS  38          1HB       LYS  38  -1.418  -9.428  -9.428
  267   1HG   LYS  38          2HG       LYS  38  -1.787 -10.296 -10.296
  268   2HG   LYS  38          1HG       LYS  38  -0.367 -10.531 -10.531
  269   1HD   LYS  38          2HD       LYS  38  -1.210 -12.513 -12.513
  270   2HD   LYS  38          1HD       LYS  38  -2.555 -11.657 -11.657
  271   1HE   LYS  38          2HE       LYS  38  -3.954 -12.538 -12.538
  272   2HE   LYS  38          1HE       LYS  38  -3.034 -11.721 -11.721
  273   1HZ   LYS  38          3HZ       LYS  38  -2.220 -14.273 -14.273
  274   2HZ   LYS  38          2HZ       LYS  38  -3.012 -14.170 -14.170
  275   3HZ   LYS  38          1HZ       LYS  38  -1.458 -13.510 -13.510
  276    H    VAL  39           H        VAL  39  -2.218  -7.538  -7.538
  277    HA   VAL  39           HA       VAL  39  -4.671  -5.823  -5.823
  278    HB   VAL  39           HB       VAL  39  -2.306  -5.455  -5.455
  279   1HG1  VAL  39          1HG1      VAL  39  -4.811  -4.288  -4.288
  280   2HG1  VAL  39          3HG1      VAL  39  -5.019  -5.393  -5.393
  281   3HG1  VAL  39          2HG1      VAL  39  -3.760  -4.158  -4.158
  282   1HG2  VAL  39          1HG2      VAL  39  -4.019  -7.850  -7.850
  283   2HG2  VAL  39          3HG2      VAL  39  -2.479  -7.608  -7.608
  284   3HG2  VAL  39          2HG2      VAL  39  -3.979  -7.077  -7.077
  285    H    VAL  40           H        VAL  40  -3.307  -3.487  -3.487
  286    HA   VAL  40           HA       VAL  40  -1.177  -2.983  -2.983
  287    HB   VAL  40           HB       VAL  40  -3.521  -1.121  -1.121
  288   1HG1  VAL  40          2HG1      VAL  40  -1.329  -2.089  -2.089
  289   2HG1  VAL  40          1HG1      VAL  40  -2.793  -1.433  -1.433
  290   3HG1  VAL  40          3HG1      VAL  40  -1.832  -0.437  -0.437
  291   1HG2  VAL  40          3HG2      VAL  40  -3.471  -3.845  -3.845
  292   2HG2  VAL  40          2HG2      VAL  40  -4.626  -3.289  -3.289
  293   3HG2  VAL  40          1HG2      VAL  40  -4.614  -2.553  -2.553
  294    H    GLU  41           H        GLU  41  -0.236  -2.839  -2.839
  295    HA   GLU  41           HA       GLU  41  -1.101  -0.613  -0.613
  296   1HB   GLU  41          2HB       GLU  41   1.078  -2.652  -2.652
  297   2HB   GLU  41          1HB       GLU  41   0.144  -1.776  -1.776
  298   1HG   GLU  41          2HG       GLU  41  -1.764  -3.082  -3.082
  299   2HG   GLU  41          1HG       GLU  41  -0.492  -4.271  -4.271
  300    H    LEU  42           H        LEU  42  -0.254   1.064   1.064
  301    HA   LEU  42           HA       LEU  42   2.609   1.235   1.235
  302   1HB   LEU  42          2HB       LEU  42   0.715   3.571   3.571
  303   2HB   LEU  42          1HB       LEU  42   2.031   3.201   3.201
  304    HG   LEU  42           HG       LEU  42   0.164   1.058   1.058
  305   1HD1  LEU  42          2HD1      LEU  42  -1.050   3.826   3.826
  306   2HD1  LEU  42          1HD1      LEU  42  -1.832   2.333   2.333
  307   3HD1  LEU  42          3HD1      LEU  42  -1.490   2.600   2.600
  308   1HD2  LEU  42          2HD2      LEU  42   1.636   2.870   2.870
  309   2HD2  LEU  42          1HD2      LEU  42   0.853   1.365   1.365
  310   3HD2  LEU  42          3HD2      LEU  42  -0.037   2.884   2.884
  311    H    GLY  43           H        GLY  43   3.562   3.571   3.571
  312   1HA   GLY  43          2HA       GLY  43   2.792   4.779   4.779
  313   2HA   GLY  43          1HA       GLY  43   3.725   3.372   3.372
  314    H    CYS  44           H        CYS  44   5.493   4.525   4.525
  315    HA   CYS  44           HA       CYS  44   6.990   6.249   6.249
  316   1HB   CYS  44          2HB       CYS  44   7.221   6.144   6.144
  317   2HB   CYS  44          1HB       CYS  44   7.693   7.446   7.446
  318    H    ALA  45           H        ALA  45   9.377   6.076   6.076
  319    HA   ALA  45           HA       ALA  45  10.629   3.969   3.969
  320   1HB   ALA  45          3HB       ALA  45   9.482   3.450   3.450
  321   2HB   ALA  45          2HB       ALA  45  11.204   3.070   3.070
  322   3HB   ALA  45          1HB       ALA  45  10.095   2.301   2.301
  323    H    ALA  46           H        ALA  46  12.821   4.414   4.414
  324    HA   ALA  46           HA       ALA  46  13.870   6.861   6.861
  325   1HB   ALA  46          1HB       ALA  46  14.988   4.350   4.350
  326   2HB   ALA  46          3HB       ALA  46  16.073   5.632   5.632
  327   3HB   ALA  46          2HB       ALA  46  14.864   5.963   5.963
  328    H    THR  47           H        THR  47  14.017   3.537   3.537
  329    HA   THR  47           HA       THR  47  14.784   4.514   4.514
  330    HB   THR  47           HB       THR  47  16.760   2.711   2.711
  331    HG1  THR  47           HG1      THR  47  17.431   2.487   2.487
  332   1HG2  THR  47          3HG2      THR  47  16.683   5.343   5.343
  333   2HG2  THR  47          2HG2      THR  47  17.303   5.358   5.358
  334   3HG2  THR  47          1HG2      THR  47  18.195   4.521   4.521
  335    H    CYS  48           H        CYS  48  14.239   2.980   2.980
  336    HA   CYS  48           HA       CYS  48  12.212   1.147   1.147
  337   1HB   CYS  48          2HB       CYS  48  14.198   1.818   1.818
  338   2HB   CYS  48          1HB       CYS  48  14.092   0.059   0.059
  339    HA   PRO  49           HA       PRO  49  14.465  -1.737  -1.737
  340   1HB   PRO  49          2HB       PRO  49  12.210  -2.929  -2.929
  341   2HB   PRO  49          1HB       PRO  49  12.860  -1.405  -1.405
  342   1HG   PRO  49          2HG       PRO  49  10.578  -1.864  -1.864
  343   2HG   PRO  49          1HG       PRO  49  10.764  -0.668  -0.668
  344   1HD   PRO  49          2HD       PRO  49  11.069  -0.101  -0.101
  345   2HD   PRO  49          1HD       PRO  49  11.850   0.815   0.815
  346    H    SER  50           H        SER  50  11.471  -3.410  -3.410
  347    HA   SER  50           HA       SER  50  11.054  -5.270  -5.270
  348   1HB   SER  50          2HB       SER  50  12.440  -3.495  -3.495
  349   2HB   SER  50          1HB       SER  50  13.634  -4.787  -4.787
  350    HG   SER  50           HG       SER  50  11.738  -6.160  -6.160
  351    H    LYS  51           H        LYS  51  12.997  -5.283  -5.283
  352    HA   LYS  51           HA       LYS  51  14.895  -7.430  -7.430
  353   1HB   LYS  51          2HB       LYS  51  14.715  -5.394  -5.394
  354   2HB   LYS  51          1HB       LYS  51  14.264  -6.792  -6.792
  355   1HG   LYS  51          2HG       LYS  51  16.422  -7.404  -7.404
  356   2HG   LYS  51          1HG       LYS  51  16.481  -7.548  -7.548
  357   1HD   LYS  51          2HD       LYS  51  16.561  -4.774  -4.774
  358   2HD   LYS  51          1HD       LYS  51  17.964  -5.755  -5.755
  359   1HE   LYS  51          2HE       LYS  51  17.901  -6.461  -6.461
  360   2HE   LYS  51          1HE       LYS  51  16.972  -4.960  -4.960
  361   1HZ   LYS  51          2HZ       LYS  51  18.838  -4.065  -4.065
  362   2HZ   LYS  51          1HZ       LYS  51  19.736  -5.330  -5.330
  363   3HZ   LYS  51          3HZ       LYS  51  19.078  -4.118  -4.118
  364    H    LYS  52           H        LYS  52  12.753  -8.695  -8.695
  365    HA   LYS  52           HA       LYS  52  12.307 -10.806 -10.806
  366   1HB   LYS  52          2HB       LYS  52  10.604  -8.468  -8.468
  367   2HB   LYS  52          1HB       LYS  52   9.668  -9.892  -9.892
  368   1HG   LYS  52          2HG       LYS  52   9.561 -10.393 -10.393
  369   2HG   LYS  52          1HG       LYS  52  11.281 -10.774 -10.774
  370   1HD   LYS  52          2HD       LYS  52  11.264  -8.008  -8.008
  371   2HD   LYS  52          1HD       LYS  52   9.949  -8.485  -8.485
  372   1HE   LYS  52          2HE       LYS  52  11.449 -10.008 -10.008
  373   2HE   LYS  52          1HE       LYS  52  12.777  -9.597  -9.597
  374   1HZ   LYS  52          1HZ       LYS  52  12.245  -7.199  -7.199
  375   2HZ   LYS  52          3HZ       LYS  52  11.368  -7.830  -7.830
  376   3HZ   LYS  52          2HZ       LYS  52  13.036  -8.129  -8.129
  377    HA   PRO  53           HA       PRO  53  11.942 -12.154 -12.154
  378   1HB   PRO  53          2HB       PRO  53  12.466 -14.781 -14.781
  379   2HB   PRO  53          1HB       PRO  53  13.724 -13.543 -13.543
  380   1HG   PRO  53          2HG       PRO  53  12.524 -14.613 -14.613
  381   2HG   PRO  53          1HG       PRO  53  14.224 -14.295 -14.295
  382   1HD   PRO  53          2HD       PRO  53  12.788 -12.578 -12.578
  383   2HD   PRO  53          1HD       PRO  53  14.013 -12.013 -12.013
  384    H    TYR  54           H        TYR  54   9.798 -12.484 -12.484
  385    HA   TYR  54           HA       TYR  54   8.032 -14.277 -14.277
  386   1HB   TYR  54          2HB       TYR  54   7.016 -14.428 -14.428
  387   2HB   TYR  54          1HB       TYR  54   8.170 -15.577 -15.577
  388    HD1  TYR  54           HD2      TYR  54  10.693 -14.959 -14.959
  389    HD2  TYR  54           HD1      TYR  54   7.555 -13.242 -13.242
  390    HE1  TYR  54           HE2      TYR  54  12.352 -14.300 -14.300
  391    HE2  TYR  54           HE1      TYR  54   9.216 -12.590 -12.590
  392    HH   TYR  54           HH       TYR  54  12.465 -13.747 -13.747
  393    H    GLU  55           H        GLU  55   8.504 -11.136 -11.136
  394    HA   GLU  55           HA       GLU  55   5.557 -10.559 -10.559
  395   1HB   GLU  55          2HB       GLU  55   7.909  -9.595  -9.595
  396   2HB   GLU  55          1HB       GLU  55   6.822  -8.318  -8.318
  397   1HG   GLU  55          2HG       GLU  55   5.831  -8.887  -8.887
  398   2HG   GLU  55          1HG       GLU  55   4.953  -9.947  -9.947
  399    H    GLU  56           H        GLU  56   5.383  -8.024  -8.024
  400    HA   GLU  56           HA       GLU  56   7.107  -7.518  -7.518
  401   1HB   GLU  56          2HB       GLU  56   5.116  -8.903  -8.903
  402   2HB   GLU  56          1HB       GLU  56   4.073  -7.614  -7.614
  403   1HG   GLU  56          2HG       GLU  56   5.714  -6.184  -6.184
  404   2HG   GLU  56          1HG       GLU  56   5.698  -7.728  -7.728
  405    H    VAL  57           H        VAL  57   7.859  -5.487  -5.487
  406    HA   VAL  57           HA       VAL  57   5.839  -3.494  -3.494
  407    HB   VAL  57           HB       VAL  57   7.456  -4.057  -4.057
  408   1HG1  VAL  57          3HG1      VAL  57   9.423  -3.687  -3.687
  409   2HG1  VAL  57          2HG1      VAL  57   9.928  -3.626  -3.626
  410   3HG1  VAL  57          1HG1      VAL  57   9.196  -5.094  -5.094
  411   1HG2  VAL  57          3HG2      VAL  57   6.908  -1.629  -1.629
  412   2HG2  VAL  57          2HG2      VAL  57   8.502  -1.892  -1.892
  413   3HG2  VAL  57          1HG2      VAL  57   8.353  -1.479  -1.479
  414    H    THR  58           H        THR  58   6.595  -1.171  -1.171
  415    HA   THR  58           HA       THR  58   8.062  -1.011  -1.011
  416    HB   THR  58           HB       THR  58   5.537   0.550   0.550
  417    HG1  THR  58           HG1      THR  58   5.318  -2.063  -2.063
  418   1HG2  THR  58          2HG2      THR  58   7.373  -0.069  -0.069
  419   2HG2  THR  58          1HG2      THR  58   5.915  -0.975  -0.975
  420   3HG2  THR  58          3HG2      THR  58   5.835   0.773   0.773
  421    H    CYS  59           H        CYS  59   7.732   1.693   1.693
  422    HA   CYS  59           HA       CYS  59   8.443   3.029   3.029
  423   1HB   CYS  59          2HB       CYS  59  10.077   2.499   2.499
  424   2HB   CYS  59          1HB       CYS  59  10.134   4.167   4.167
  425    H    CYS  60           H        CYS  60   9.012   5.425   5.425
  426    HA   CYS  60           HA       CYS  60   7.395   6.523   6.523
  427   1HB   CYS  60          2HB       CYS  60   5.498   6.683   6.683
  428   2HB   CYS  60          1HB       CYS  60   6.362   6.229   6.229
  429    H    SER  61           H        SER  61   7.922   8.772   8.772
  430    HA   SER  61           HA       SER  61  10.033   9.849   9.849
  431   1HB   SER  61          2HB       SER  61  11.306  10.496  10.496
  432   2HB   SER  61          1HB       SER  61  10.770   8.852   8.852
  433    HG   SER  61           HG       SER  61   9.603   9.585   9.585
  434    H    THR  62           H        THR  62   6.926  10.322  10.322
  435    HA   THR  62           HA       THR  62   7.209  13.310  13.310
  436    HB   THR  62           HB       THR  62   4.850  12.467  12.467
  437    HG1  THR  62           HG1      THR  62   7.307  11.422  11.422
  438   1HG2  THR  62          1HG2      THR  62   7.388  13.955  13.955
  439   2HG2  THR  62          3HG2      THR  62   6.133  13.681  13.681
  440   3HG2  THR  62          2HG2      THR  62   5.768  14.607  14.607
  441    H    ASP  63           H        ASP  63   4.686  14.127  14.127
  442    HA   ASP  63           HA       ASP  63   3.888  13.020  13.020
  443   1HB   ASP  63          2HB       ASP  63   3.227  15.432  15.432
  444   2HB   ASP  63          1HB       ASP  63   2.272  15.047  15.047
  445    H    LYS  64           H        LYS  64   1.539  12.531  12.531
  446    HA   LYS  64           HA       LYS  64  -0.291  11.107  11.107
  447   1HB   LYS  64          2HB       LYS  64  -0.338  12.976  12.976
  448   2HB   LYS  64          1HB       LYS  64  -1.721  12.232  12.232
  449   1HG   LYS  64          2HG       LYS  64  -0.504  13.545  13.545
  450   2HG   LYS  64          1HG       LYS  64  -0.200  14.644  14.644
  451   1HD   LYS  64          2HD       LYS  64  -2.313  15.388  15.388
  452   2HD   LYS  64          1HD       LYS  64  -2.876  13.789  13.789
  453   1HE   LYS  64          2HE       LYS  64  -2.406  13.194  13.194
  454   2HE   LYS  64          1HE       LYS  64  -2.625  14.943  14.943
  455   1HZ   LYS  64          2HZ       LYS  64  -4.483  13.238  13.238
  456   2HZ   LYS  64          1HZ       LYS  64  -4.731  13.622  13.622
  457   3HZ   LYS  64          3HZ       LYS  64  -4.713  14.854  14.854
  458    H    CYS  65           H        CYS  65   2.345  10.391  10.391
  459    HA   CYS  65           HA       CYS  65   2.014   9.290   9.290
  460   1HB   CYS  65          2HB       CYS  65   4.360   8.624   8.624
  461   2HB   CYS  65          1HB       CYS  65   4.085  10.327  10.327
  462    H    ASN  66           H        ASN  66   0.778   8.265   8.265
  463    HA   ASN  66           HA       ASN  66   1.488   5.391   5.391
  464   1HB   ASN  66          2HB       ASN  66   1.009   7.129   7.129
  465   2HB   ASN  66          1HB       ASN  66   0.319   5.511   5.511
  466   1HD2  ASN  66          2HD2      ASN  66   4.254   5.169   5.169
  467   2HD2  ASN  66          1HD2      ASN  66   3.176   5.912   5.912
  468    HA   PRO  67           HA       PRO  67  -3.213   6.207   6.207
  469   1HB   PRO  67          2HB       PRO  67  -3.487   6.516   6.516
  470   2HB   PRO  67          1HB       PRO  67  -3.233   7.882   7.882
  471   1HG   PRO  67          2HG       PRO  67  -1.294   6.500   6.500
  472   2HG   PRO  67          1HG       PRO  67  -1.433   8.218   8.218
  473   1HD   PRO  67          2HD       PRO  67   0.415   6.528   6.528
  474   2HD   PRO  67          1HD       PRO  67  -0.185   8.009   8.009
  475    H    HIS  68           H        HIS  68  -3.481   3.968   3.968
  476    HA   HIS  68           HA       HIS  68  -2.868   2.021   2.021
  477   1HB   HIS  68          2HB       HIS  68  -2.948   0.420   0.420
  478   2HB   HIS  68          1HB       HIS  68  -2.293   1.833   1.833
  479    HD1  HIS  68           HD1      HIS  68  -5.478  -0.183  -0.183
  480    HD2  HIS  68           HD2      HIS  68  -3.922   2.917   2.917
  481    HE1  HIS  68           HE1      HIS  68  -7.119   0.198   0.198
  482    HA   PRO  69           HA       PRO  69  -7.109   1.570   1.570
  483   1HB   PRO  69          2HB       PRO  69  -7.705  -1.099  -1.099
  484   2HB   PRO  69          1HB       PRO  69  -6.715  -0.483  -0.483
  485   1HG   PRO  69          2HG       PRO  69  -5.848  -1.730  -1.730
  486   2HG   PRO  69          1HG       PRO  69  -5.232  -1.992  -1.992
  487   1HD   PRO  69          2HD       PRO  69  -3.939  -0.430  -0.430
  488   2HD   PRO  69          1HD       PRO  69  -3.963  -0.054  -0.054
  489    H    LYS  70           H        LYS  70  -7.748   2.839   2.839
  490    HA   LYS  70           HA       LYS  70  -8.346   1.651   1.651
  491   1HB   LYS  70          2HB       LYS  70  -9.007   4.298   4.298
  492   2HB   LYS  70          1HB       LYS  70  -9.249   3.959   3.959
  493   1HG   LYS  70          2HG       LYS  70  -6.724   3.271   3.271
  494   2HG   LYS  70          1HG       LYS  70  -6.679   4.233   4.233
  495   1HD   LYS  70          2HD       LYS  70  -7.869   5.316   5.316
  496   2HD   LYS  70          1HD       LYS  70  -6.145   5.454   5.454
  497   1HE   LYS  70          2HE       LYS  70  -6.844   7.424   7.424
  498   2HE   LYS  70          1HE       LYS  70  -7.151   6.336   6.336
  499   1HZ   LYS  70          1HZ       LYS  70  -9.146   6.753   6.753
  500   2HZ   LYS  70          3HZ       LYS  70  -9.093   7.754   7.754
  501   3HZ   LYS  70          2HZ       LYS  70  -9.384   6.089   6.089
  502    H    GLN  71           H        GLN  71 -10.715   3.688   3.688
  503    HA   GLN  71           HA       GLN  71 -12.775   1.619   1.619
  504   1HB   GLN  71          2HB       GLN  71 -14.281   3.627   3.627
  505   2HB   GLN  71          1HB       GLN  71 -13.067   3.795   3.795
  506   1HG   GLN  71          2HG       GLN  71 -11.931   4.702   4.702
  507   2HG   GLN  71          1HG       GLN  71 -13.492   5.488   5.488
  508   1HE2  GLN  71          2HE2      GLN  71 -10.866   6.014   6.014
  509   2HE2  GLN  71          1HE2      GLN  71 -11.039   4.466   4.466
  510    H    ARG  72           H        ARG  72 -10.937   1.730   1.730
  511    HA   ARG  72           HA       ARG  72 -12.792   2.374   2.374
  512   1HB   ARG  72          2HB       ARG  72 -10.141   2.595   2.595
  513   2HB   ARG  72          1HB       ARG  72 -10.184   0.961   0.961
  514   1HG   ARG  72          2HG       ARG  72 -10.670   1.722   1.722
  515   2HG   ARG  72          1HG       ARG  72 -11.967   2.748   2.748
  516   1HD   ARG  72          2HD       ARG  72 -10.591   4.476   4.476
  517   2HD   ARG  72          1HD       ARG  72  -9.704   4.071   4.071
  518    HE   ARG  72           HE       ARG  72  -8.962   2.396   2.396
  519   1HH1  ARG  72          2HH1      ARG  72  -8.720   5.669   5.669
  520   2HH1  ARG  72          1HH1      ARG  72  -6.992   5.748   5.748
  521   1HH2  ARG  72          1HH2      ARG  72  -6.604   2.344   2.344
  522   2HH2  ARG  72          2HH2      ARG  72  -5.794   3.865   3.865
  523    HA   PRO  73           HA       PRO  73 -14.203  -1.893  -1.893
  524   1HB   PRO  73          2HB       PRO  73 -16.302  -1.548  -1.548
  525   2HB   PRO  73          1HB       PRO  73 -16.369  -1.078  -1.078
  526   1HG   PRO  73          2HG       PRO  73 -15.945   0.608   0.608
  527   2HG   PRO  73          1HG       PRO  73 -16.848   0.960   0.960
  528   1HD   PRO  73          2HD       PRO  73 -14.340   1.923   1.923
  529   2HD   PRO  73          1HD       PRO  73 -14.992   1.690   1.690
  530    H    GLY  74           HN       GLY  74 -12.771  -3.167  -3.167
  531   1HA   GLY  74          2HA       GLY  74 -12.287  -2.608  -2.608
  532   2HA   GLY  74          1HA       GLY  74 -11.446  -3.815  -3.815
  533   1H    MET   1          1H        MET  75 -13.565  -1.651  -1.651
  534   2H    MET   1          3H        MET  75 -14.311  -3.098  -3.098
  535   3H    MET   1          2H        MET  75 -15.128  -2.019  -2.019
  536    HA   MET   1           HA       MET  75 -13.950  -2.632  -2.632
  537   1HB   MET   1          2HB       MET  75 -13.950  -4.950  -4.950
  538   2HB   MET   1          1HB       MET  75 -13.676  -5.139  -5.139
  539   1HG   MET   1          2HG       MET  75 -15.862  -4.539  -4.539
  540   2HG   MET   1          1HG       MET  75 -16.097  -3.636  -3.636
  541   1HE   MET   1          3HE       MET  75 -18.086  -5.207  -5.207
  542   2HE   MET   1          2HE       MET  75 -18.628  -5.088  -5.088
  543   3HE   MET   1          1HE       MET  75 -18.617  -6.655  -6.655
  544    H    ARG   2           H        ARG  76 -11.916  -2.494  -2.494
  545    HA   ARG   2           HA       ARG  76  -9.559  -2.369  -2.369
  546   1HB   ARG   2          2HB       ARG  76 -10.390  -4.780  -4.780
  547   2HB   ARG   2          1HB       ARG  76  -8.851  -4.229  -4.229
  548   1HG   ARG   2          2HG       ARG  76  -9.320  -4.389  -4.389
  549   2HG   ARG   2          1HG       ARG  76  -8.741  -5.776  -5.776
  550   1HD   ARG   2          2HD       ARG  76  -6.962  -4.078  -4.078
  551   2HD   ARG   2          1HD       ARG  76  -7.363  -3.152  -3.152
  552    HE   ARG   2           HE       ARG  76  -6.763  -6.047  -6.047
  553   1HH1  ARG   2          1HH2      ARG  76  -6.830  -3.220  -3.220
  554   2HH1  ARG   2          2HH2      ARG  76  -5.219  -3.305  -3.305
  555   1HH2  ARG   2          2HH1      ARG  76  -4.281  -5.958  -5.958
  556   2HH2  ARG   2          1HH1      ARG  76  -3.776  -4.854  -4.854
  557    H    TYR   3           H        TYR  77  -7.596  -1.844  -1.844
  558    HA   TYR   3           HA       TYR  77  -8.337  -0.286  -0.286
  559   1HB   TYR   3          2HB       TYR  77  -5.543  -0.203  -0.203
  560   2HB   TYR   3          1HB       TYR  77  -6.651   1.134   1.134
  561    HD1  TYR   3           HD2      TYR  77  -8.268   1.805   1.805
  562    HD2  TYR   3           HD1      TYR  77  -5.124  -1.057  -1.057
  563    HE1  TYR   3           HE2      TYR  77  -8.462   2.123   2.123
  564    HE2  TYR   3           HE1      TYR  77  -5.319  -0.740  -0.740
  565    HH   TYR   3           HH       TYR  77  -7.820   1.379   1.379
  566    H    TYR   4           H        TYR  78  -8.451  -3.066  -3.066
  567    HA   TYR   4           HA       TYR  78  -6.059  -4.407  -4.407
  568   1HB   TYR   4          2HB       TYR  78  -8.889  -4.826  -4.826
  569   2HB   TYR   4          1HB       TYR  78  -8.381  -5.448  -5.448
  570    HD1  TYR   4           HD1      TYR  78  -6.695  -5.336  -5.336
  571    HD2  TYR   4           HD2      TYR  78  -8.160  -7.752  -7.752
  572    HE1  TYR   4           HE1      TYR  78  -5.801  -7.366  -7.366
  573    HE2  TYR   4           HE2      TYR  78  -7.263  -9.781  -9.781
  574    HH   TYR   4           HH       TYR  78  -5.971 -10.546 -10.546
  575    H    GLU   5           H        GLU  79  -6.624  -5.552  -5.552
  576    HA   GLU   5           HA       GLU  79  -6.040  -3.358  -3.358
  577   1HB   GLU   5          2HB       GLU  79  -4.661  -5.417  -5.417
  578   2HB   GLU   5          1HB       GLU  79  -6.064  -6.375  -6.375
  579   1HG   GLU   5          2HG       GLU  79  -5.205  -6.077  -6.077
  580   2HG   GLU   5          1HG       GLU  79  -6.048  -4.530  -4.530
  581    H    SER   6           H        SER  80  -8.716  -3.330  -3.330
  582    HA   SER   6           HA       SER  80 -10.224  -3.175  -3.175
  583   1HB   SER   6          2HB       SER  80 -10.054  -5.485  -5.485
  584   2HB   SER   6          1HB       SER  80 -10.112  -5.860  -5.860
  585    HG   SER   6           HG       SER  80 -12.115  -6.328  -6.328
  586    H    SER   7           H        SER  81  -9.965  -1.909  -1.909
  587    HA   SER   7           HA       SER  81 -12.634  -1.160  -1.160
  588   1HB   SER   7          2HB       SER  81 -12.747  -2.596  -2.596
  589   2HB   SER   7          1HB       SER  81 -13.248  -3.299  -3.299
  590    HG   SER   7           HG       SER  81 -11.555  -4.564  -4.564
  591    H    LEU   8           H        LEU  82 -12.684   0.443   0.443
  592    HA   LEU   8           HA       LEU  82 -10.048   0.957   0.957
  593   1HB   LEU   8          2HB       LEU  82 -11.140   2.508   2.508
  594   2HB   LEU   8          1HB       LEU  82 -12.170   3.027   3.027
  595    HG   LEU   8           HG       LEU  82 -10.110   4.440   4.440
  596   1HD1  LEU   8          3HD1      LEU  82 -11.362   3.490   3.490
  597   2HD1  LEU   8          2HD1      LEU  82  -9.649   3.258   3.258
  598   3HD1  LEU   8          1HD1      LEU  82 -10.255   4.860   4.860
  599   1HD2  LEU   8          3HD2      LEU  82  -8.842   1.946   1.946
  600   2HD2  LEU   8          2HD2      LEU  82  -8.039   3.507   3.507
  601   3HD2  LEU   8          1HD2      LEU  82  -8.360   2.539   2.539
  602    H    LYS   9           H        LYS  83 -10.257   0.267   0.267
  603    HA   LYS   9           HA       LYS  83 -12.105   1.579   1.579
  604   1HB   LYS   9          2HB       LYS  83 -12.835  -0.935  -0.935
  605   2HB   LYS   9          1HB       LYS  83 -12.871  -1.061  -1.061
  606   1HG   LYS   9          2HG       LYS  83 -14.132   1.319   1.319
  607   2HG   LYS   9          1HG       LYS  83 -14.995  -0.221  -0.221
  608   1HD   LYS   9          2HD       LYS  83 -14.784  -0.342  -0.342
  609   2HD   LYS   9          1HD       LYS  83 -13.868   1.166   1.166
  610   1HE   LYS   9          2HE       LYS  83 -15.769   2.436   2.436
  611   2HE   LYS   9          1HE       LYS  83 -16.684   0.962   0.962
  612   1HZ   LYS   9          3HZ       LYS  83 -16.107   0.408   0.408
  613   2HZ   LYS   9          2HZ       LYS  83 -15.982   2.096   2.096
  614   3HZ   LYS   9          1HZ       LYS  83 -17.440   1.390   1.390
  615    H    SER  10           H        SER  84 -11.990   0.245   0.245
  616    HA   SER  10           HA       SER  84  -9.183  -0.761  -0.761
  617   1HB   SER  10          2HB       SER  84  -9.704   1.538   1.538
  618   2HB   SER  10          1HB       SER  84 -10.901   0.800   0.800
  619    HG   SER  10           HG       SER  84  -9.145   0.752   0.752
  620    H    TYR  11           H        TYR  85 -11.147  -2.628  -2.628
  621    HA   TYR  11           HA       TYR  85 -12.343  -3.628  -3.628
  622   1HB   TYR  11          2HB       TYR  85 -13.710  -4.725  -4.725
  623   2HB   TYR  11          1HB       TYR  85 -12.979  -3.688  -3.688
  624    HD1  TYR  11           HD2      TYR  85 -12.376  -6.945  -6.945
  625    HD2  TYR  11           HD1      TYR  85 -11.957  -4.682  -4.682
  626    HE1  TYR  11           HE2      TYR  85 -11.474  -8.950  -8.950
  627    HE2  TYR  11           HE1      TYR  85 -11.059  -6.687  -6.687
  628    HH   TYR  11           HH       TYR  85 -10.107  -9.508  -9.508
  629    HA   PRO  12           HA       PRO  86  -8.877  -6.163  -6.163
  630   1HB   PRO  12          2HB       PRO  86 -10.101  -7.727  -7.727
  631   2HB   PRO  12          1HB       PRO  86  -9.631  -6.044  -6.044
  632   1HG   PRO  12          2HG       PRO  86 -12.304  -7.180  -7.180
  633   2HG   PRO  12          1HG       PRO  86 -11.862  -5.839  -5.839
  634   1HD   PRO  12          2HD       PRO  86 -12.913  -5.539  -5.539
  635   2HD   PRO  12          1HD       PRO  86 -11.942  -4.311  -4.311
  636    H    ASP  13           HN       ASP  87 -11.370  -8.533  -8.533
  637    HA   ASP  13           HA       ASP  87 -10.589 -10.039 -10.039
  638   1HB   ASP  13          2HB       ASP  87  -9.944 -10.591 -10.591
  639   2HB   ASP  13          1HB       ASP  87 -11.296 -11.670 -11.670

  Start of MODEL   19
    1   1H    ILE   1          1H        ILE   1   8.035  14.662  14.662
    2   2H    ILE   1          3H        ILE   1   8.434  15.699  15.699
    3   3H    ILE   1          2H        ILE   1   7.726  16.328  16.328
    4    HA   ILE   1           HA       ILE   1   5.954  16.256  16.256
    5    HB   ILE   1           HB       ILE   1   5.687  14.048  14.048
    6   1HG1  ILE   1          2HG1      ILE   1   8.577  13.748  13.748
    7   2HG1  ILE   1          1HG1      ILE   1   7.246  12.777  12.777
    8   1HG2  ILE   1          3HG2      ILE   1   7.482  16.306  16.306
    9   2HG2  ILE   1          2HG2      ILE   1   8.091  14.866  14.866
   10   3HG2  ILE   1          1HG2      ILE   1   6.477  15.474  15.474
   11   1HD1  ILE   1          2HD1      ILE   1   6.881  12.567  12.567
   12   2HD1  ILE   1          1HD1      ILE   1   8.639  12.587  12.587
   13   3HD1  ILE   1          3HD1      ILE   1   7.697  11.370  11.370
   14    H    VAL   2           H        VAL   2   4.081  14.296  14.296
   15    HA   VAL   2           HA       VAL   2   3.852  13.312  13.312
   16    HB   VAL   2           HB       VAL   2   1.617  14.157  14.157
   17   1HG1  VAL   2          2HG1      VAL   2   1.661  12.880  12.880
   18   2HG1  VAL   2          1HG1      VAL   2   1.259  14.557  14.557
   19   3HG1  VAL   2          3HG1      VAL   2   0.270  13.637  13.637
   20   1HG2  VAL   2          1HG2      VAL   2   3.289  15.786  15.786
   21   2HG2  VAL   2          3HG2      VAL   2   2.966  16.119  16.119
   22   3HG2  VAL   2          2HG2      VAL   2   1.678  16.294  16.294
   23    H    CYS   3           H        CYS   3   2.555  11.326  11.326
   24    HA   CYS   3           HA       CYS   3   2.227   9.762   9.762
   25   1HB   CYS   3          2HB       CYS   3   3.464   8.677   8.677
   26   2HB   CYS   3          1HB       CYS   3   3.520   8.009   8.009
   27    H    HIS   4           H        HIS   4   0.766   7.880   7.880
   28    HA   HIS   4           HA       HIS   4  -1.352   8.442   8.442
   29   1HB   HIS   4          2HB       HIS   4  -1.258   6.271   6.271
   30   2HB   HIS   4          1HB       HIS   4  -2.669   6.993   6.993
   31    HD1  HIS   4           HD1      HIS   4  -2.341   9.902   9.902
   32    HD2  HIS   4           HD2      HIS   4  -1.256   7.180   7.180
   33    HE1  HIS   4           HE1      HIS   4  -2.320  11.186  11.186
   34    H    THR   5           H        THR   5  -1.993   6.891   6.891
   35    HA   THR   5           HA       THR   5  -0.020   4.659   4.659
   36    HB   THR   5           HB       THR   5   0.279   5.200   5.200
   37    HG1  THR   5           HG1      THR   5  -1.809   4.740   4.740
   38   1HG2  THR   5          2HG2      THR   5   0.777   7.311   7.311
   39   2HG2  THR   5          1HG2      THR   5  -0.893   7.830   7.830
   40   3HG2  THR   5          3HG2      THR   5   0.166   7.626   7.626
   41    H    THR   6           H        THR   6  -1.037   2.907   2.907
   42    HA   THR   6           HA       THR   6  -3.904   2.473   2.473
   43    HB   THR   6           HB       THR   6  -2.855   0.164   0.164
   44    HG1  THR   6           HG1      THR   6  -0.850   1.327   1.327
   45   1HG2  THR   6          1HG2      THR   6  -4.868   1.470   1.470
   46   2HG2  THR   6          3HG2      THR   6  -3.790   2.592   2.592
   47   3HG2  THR   6          2HG2      THR   6  -3.880   0.907   0.907
   48    H    ALA   7           H        ALA   7  -0.717   1.864   1.864
   49    HA   ALA   7           HA       ALA   7  -1.470  -0.470  -0.470
   50   1HB   ALA   7          1HB       ALA   7   0.951   0.923   0.923
   51   2HB   ALA   7          3HB       ALA   7   1.109   0.120   0.120
   52   3HB   ALA   7          2HB       ALA   7   0.632  -0.813  -0.813
   53    H    THR   8           H        THR   8  -0.907   2.972   2.972
   54    HA   THR   8           HA       THR   8  -0.917   2.539   2.539
   55    HB   THR   8           HB       THR   8  -0.584   5.170   5.170
   56    HG1  THR   8           HG1      THR   8   0.400   5.619   5.619
   57   1HG2  THR   8          1HG2      THR   8   1.197   2.860   2.860
   58   2HG2  THR   8          3HG2      THR   8   1.907   4.280   4.280
   59   3HG2  THR   8          2HG2      THR   8   1.357   4.365   4.365
   60    H    SER   9           H        SER   9  -2.223   5.452   5.452
   61    HA   SER   9           HA       SER   9  -4.697   5.224   5.224
   62   1HB   SER   9          2HB       SER   9  -4.349   6.999   6.999
   63   2HB   SER   9          1HB       SER   9  -5.004   7.390   7.390
   64    HG   SER   9           HG       SER   9  -2.462   7.574   7.574
   65    HA   PRO  10           HA       PRO  10  -7.290   3.391   3.391
   66   1HB   PRO  10          2HB       PRO  10  -8.926   5.226   5.226
   67   2HB   PRO  10          1HB       PRO  10  -9.164   4.654   4.654
   68   1HG   PRO  10          2HG       PRO  10  -8.010   7.202   7.202
   69   2HG   PRO  10          1HG       PRO  10  -8.986   6.872   6.872
   70   1HD   PRO  10          2HD       PRO  10  -6.270   7.231   7.231
   71   2HD   PRO  10          1HD       PRO  10  -7.167   6.352   6.352
   72    H    ILE  11           H        ILE  11  -6.804   6.459   6.459
   73    HA   ILE  11           HA       ILE  11  -4.817   5.623   5.623
   74    HB   ILE  11           HB       ILE  11  -7.392   4.529   4.529
   75   1HG1  ILE  11          2HG1      ILE  11  -4.668   4.492   4.492
   76   2HG1  ILE  11          1HG1      ILE  11  -5.645   3.153   3.153
   77   1HG2  ILE  11          2HG2      ILE  11  -6.588   6.491   6.491
   78   2HG2  ILE  11          1HG2      ILE  11  -7.789   5.218   5.218
   79   3HG2  ILE  11          3HG2      ILE  11  -8.080   6.518   6.518
   80   1HD1  ILE  11          2HD1      ILE  11  -7.116   3.780   3.780
   81   2HD1  ILE  11          1HD1      ILE  11  -5.546   4.361   4.361
   82   3HD1  ILE  11          3HD1      ILE  11  -5.746   2.672   2.672
   83    H    SER  12           H        SER  12  -3.986   7.561   7.561
   84    HA   SER  12           HA       SER  12  -5.358   9.716   9.716
   85   1HB   SER  12          2HB       SER  12  -5.627   9.444   9.444
   86   2HB   SER  12          1HB       SER  12  -4.670  10.878  10.878
   87    HG   SER  12           HG       SER  12  -6.450  11.171  11.171
   88    H    ALA  13           H        ALA  13  -3.821  11.403  11.403
   89    HA   ALA  13           HA       ALA  13  -1.054  10.477  10.477
   90   1HB   ALA  13          1HB       ALA  13  -2.695  12.317  12.317
   91   2HB   ALA  13          3HB       ALA  13  -1.145  13.038  13.038
   92   3HB   ALA  13          2HB       ALA  13  -1.192  11.518  11.518
   93    H    VAL  14           H        VAL  14  -0.317  10.727  10.727
   94    HA   VAL  14           HA       VAL  14  -0.451  13.504  13.504
   95    HB   VAL  14           HB       VAL  14  -0.363  12.554  12.554
   96   1HG1  VAL  14          3HG1      VAL  14  -2.347  11.778  11.778
   97   2HG1  VAL  14          2HG1      VAL  14  -1.566  10.197  10.197
   98   3HG1  VAL  14          1HG1      VAL  14  -2.085  10.973  10.973
   99   1HG2  VAL  14          1HG2      VAL  14   1.718  11.274  11.274
  100   2HG2  VAL  14          3HG2      VAL  14   0.527  10.309  10.309
  101   3HG2  VAL  14          2HG2      VAL  14   0.785  10.034  10.034
  102    H    THR  15           H        THR  15   1.445  14.520  14.520
  103    HA   THR  15           HA       THR  15   3.789  14.034  14.034
  104    HB   THR  15           HB       THR  15   3.709  15.226  15.226
  105    HG1  THR  15           HG1      THR  15   3.149  17.167  17.167
  106   1HG2  THR  15          3HG2      THR  15   5.555  15.183  15.183
  107   2HG2  THR  15          2HG2      THR  15   5.076  16.842  16.842
  108   3HG2  THR  15          1HG2      THR  15   5.791  15.834  15.834
  109    H    CYS  16           H        CYS  16   5.892  13.142  13.142
  110    HA   CYS  16           HA       CYS  16   5.496  10.888  10.888
  111   1HB   CYS  16          2HB       CYS  16   7.610  11.393  11.393
  112   2HB   CYS  16          1HB       CYS  16   7.306   9.877   9.877
  113    HA   PRO  17           HA       PRO  17   8.377  12.548  12.548
  114   1HB   PRO  17          2HB       PRO  17   9.686  10.285  10.285
  115   2HB   PRO  17          1HB       PRO  17   8.018  10.665  10.665
  116   1HG   PRO  17          2HG       PRO  17   9.017   8.801   8.801
  117   2HG   PRO  17          1HG       PRO  17   7.656   8.620   8.620
  118   1HD   PRO  17          2HD       PRO  17   7.363   9.312   9.312
  119   2HD   PRO  17          1HD       PRO  17   6.225   9.799   9.799
  120    HA   PRO  18           HA       PRO  18  12.360  13.079  13.079
  121   1HB   PRO  18          2HB       PRO  18  14.099  12.861  12.861
  122   2HB   PRO  18          1HB       PRO  18  13.027  14.257  14.257
  123   1HG   PRO  18          2HG       PRO  18  12.709  11.907  11.907
  124   2HG   PRO  18          1HG       PRO  18  12.341  13.614  13.614
  125   1HD   PRO  18          2HD       PRO  18  10.438  11.773  11.773
  126   2HD   PRO  18          1HD       PRO  18  10.296  13.490  13.490
  127    H    GLY  19           H        GLY  19  13.190  11.530  11.530
  128   1HA   GLY  19          2HA       GLY  19  15.100   9.691   9.691
  129   2HA   GLY  19          1HA       GLY  19  13.723   8.812   8.812
  130    H    GLU  20           H        GLU  20  11.674   9.206   9.206
  131    HA   GLU  20           HA       GLU  20  12.349   7.760   7.760
  132   1HB   GLU  20          2HB       GLU  20  10.154   7.400   7.400
  133   2HB   GLU  20          1HB       GLU  20  10.003   8.976   8.976
  134   1HG   GLU  20          2HG       GLU  20  10.278   8.833   8.833
  135   2HG   GLU  20          1HG       GLU  20   8.707   8.507   8.507
  136    H    ASN  21           H        ASN  21  12.756   8.567   8.567
  137    HA   ASN  21           HA       ASN  21  13.023  11.514  11.514
  138   1HB   ASN  21          2HB       ASN  21  13.975   9.447   9.447
  139   2HB   ASN  21          1HB       ASN  21  14.684  11.004  11.004
  140   1HD2  ASN  21          2HD2      ASN  21  15.687   9.275   9.275
  141   2HD2  ASN  21          1HD2      ASN  21  14.405  10.344  10.344
  142    H    LEU  22           H        LEU  22  11.147   8.782   8.782
  143    HA   LEU  22           HA       LEU  22   9.400  10.450  10.450
  144   1HB   LEU  22          2HB       LEU  22   9.535   8.771   8.771
  145   2HB   LEU  22          1HB       LEU  22  11.124   9.460   9.460
  146    HG   LEU  22           HG       LEU  22  10.763   7.229   7.229
  147   1HD1  LEU  22          2HD1      LEU  22   9.153   6.825   6.825
  148   2HD1  LEU  22          1HD1      LEU  22  10.673   6.146   6.146
  149   3HD1  LEU  22          3HD1      LEU  22   9.932   5.521   5.521
  150   1HD2  LEU  22          3HD2      LEU  22  12.552   8.098   8.098
  151   2HD2  LEU  22          2HD2      LEU  22  12.958   7.644   7.644
  152   3HD2  LEU  22          1HD2      LEU  22  12.609   6.396   6.396
  153    H    CYS  23           H        CYS  23   7.655   8.613   8.613
  154    HA   CYS  23           HA       CYS  23   6.593   7.359   7.359
  155   1HB   CYS  23          2HB       CYS  23   5.344   7.729   7.729
  156   2HB   CYS  23          1HB       CYS  23   4.503   7.439   7.439
  157    H    TYR  24           H        TYR  24   5.208   5.243   5.243
  158    HA   TYR  24           HA       TYR  24   6.617   3.752   3.752
  159   1HB   TYR  24          2HB       TYR  24   7.691   2.190   2.190
  160   2HB   TYR  24          1HB       TYR  24   8.011   3.752   3.752
  161    HD1  TYR  24           HD2      TYR  24   6.815   4.443   4.443
  162    HD2  TYR  24           HD1      TYR  24   6.186   0.597   0.597
  163    HE1  TYR  24           HE2      TYR  24   5.716   3.667   3.667
  164    HE2  TYR  24           HE1      TYR  24   5.083  -0.183  -0.183
  165    HH   TYR  24           HH       TYR  24   5.344   0.732   0.732
  166    H    ARG  25           H        ARG  25   5.868   1.389   1.389
  167    HA   ARG  25           HA       ARG  25   3.026   1.202   1.202
  168   1HB   ARG  25          2HB       ARG  25   3.838   0.128   0.128
  169   2HB   ARG  25          1HB       ARG  25   2.269   0.733   0.733
  170   1HG   ARG  25          2HG       ARG  25   3.287   3.049   3.049
  171   2HG   ARG  25          1HG       ARG  25   4.732   2.370   2.370
  172   1HD   ARG  25          2HD       ARG  25   2.366   1.536   1.536
  173   2HD   ARG  25          1HD       ARG  25   2.460   3.306   3.306
  174    HE   ARG  25           HE       ARG  25   5.073   2.366   2.366
  175   1HH1  ARG  25          2HH1      ARG  25   3.180   0.555   0.555
  176   2HH1  ARG  25          1HH1      ARG  25   3.230   1.391   1.391
  177   1HH2  ARG  25          1HH2      ARG  25   4.625   4.272   4.272
  178   2HH2  ARG  25          2HH2      ARG  25   4.048   3.495   3.495
  179    H    LYS  26           H        LYS  26   2.987  -0.705  -0.705
  180    HA   LYS  26           HA       LYS  26   4.909  -2.856  -2.856
  181   1HB   LYS  26          2HB       LYS  26   4.112  -1.639  -1.639
  182   2HB   LYS  26          1HB       LYS  26   3.910  -3.384  -3.384
  183   1HG   LYS  26          2HG       LYS  26   6.184  -3.768  -3.768
  184   2HG   LYS  26          1HG       LYS  26   6.433  -2.075  -2.075
  185   1HD   LYS  26          2HD       LYS  26   5.467  -2.264  -2.264
  186   2HD   LYS  26          1HD       LYS  26   6.893  -3.284  -3.284
  187   1HE   LYS  26          2HE       LYS  26   7.293  -0.763  -0.763
  188   2HE   LYS  26          1HE       LYS  26   6.871  -0.484  -0.484
  189   1HZ   LYS  26          3HZ       LYS  26   8.491  -2.206  -2.206
  190   2HZ   LYS  26          2HZ       LYS  26   8.952  -2.348  -2.348
  191   3HZ   LYS  26          1HZ       LYS  26   9.228  -0.897  -0.897
  192    H    MET  27           H        MET  27   4.169  -5.035  -5.035
  193    HA   MET  27           HA       MET  27   1.314  -5.581  -5.581
  194   1HB   MET  27          2HB       MET  27   2.733  -5.288  -5.288
  195   2HB   MET  27          1HB       MET  27   2.119  -6.930  -6.930
  196   1HG   MET  27          2HG       MET  27  -0.092  -6.250  -6.250
  197   2HG   MET  27          1HG       MET  27   0.293  -4.672  -4.672
  198   1HE   MET  27          2HE       MET  27   0.977  -2.805  -2.805
  199   2HE   MET  27          1HE       MET  27   2.407  -3.202  -3.202
  200   3HE   MET  27          3HE       MET  27   1.045  -2.362  -2.362
  201    H    TRP  28           H        TRP  28   1.023  -7.574  -7.574
  202    HA   TRP  28           HA       TRP  28   3.249  -9.510  -9.510
  203   1HB   TRP  28          2HB       TRP  28   2.837  -9.473  -9.473
  204   2HB   TRP  28          1HB       TRP  28   4.053  -8.487  -8.487
  205    HD1  TRP  28           HD1      TRP  28   0.209  -8.000  -8.000
  206    HE1  TRP  28           HE1      TRP  28  -0.147  -5.649  -5.649
  207    HE3  TRP  28           HE3      TRP  28   5.040  -6.428  -6.428
  208    HZ2  TRP  28           HZ2      TRP  28   1.418  -3.412  -3.412
  209    HZ3  TRP  28           HZ3      TRP  28   5.590  -4.191  -4.191
  210    HH2  TRP  28           HH2      TRP  28   3.783  -2.676  -2.676
  211    H    CYS  29           H        CYS  29   1.003  -9.622  -9.622
  212    HA   CYS  29           HA       CYS  29  -1.132 -11.113 -11.113
  213   1HB   CYS  29          2HB       CYS  29   1.416 -12.380 -12.380
  214   2HB   CYS  29          1HB       CYS  29   0.001 -13.178 -13.178
  215    H    ASP  30           H        ASP  30  -2.719 -10.481 -10.481
  216    HA   ASP  30           HA       ASP  30  -2.109  -9.737  -9.737
  217   1HB   ASP  30          2HB       ASP  30  -4.023  -8.979  -8.979
  218   2HB   ASP  30          1HB       ASP  30  -4.783 -10.539 -10.539
  219    H    ALA  31           H        ALA  31  -1.328 -11.345 -11.345
  220    HA   ALA  31           HA       ALA  31  -1.408 -13.276 -13.276
  221   1HB   ALA  31          2HB       ALA  31  -4.128 -12.623 -12.623
  222   2HB   ALA  31          1HB       ALA  31  -3.933 -14.362 -14.362
  223   3HB   ALA  31          3HB       ALA  31  -3.547 -13.265 -13.265
  224    H    PHE  32           H        PHE  32  -3.628 -14.595 -14.595
  225    HA   PHE  32           HA       PHE  32  -1.398 -16.322 -16.322
  226   1HB   PHE  32          2HB       PHE  32  -4.238 -16.985 -16.985
  227   2HB   PHE  32          1HB       PHE  32  -3.243 -18.090 -18.090
  228    HD1  PHE  32           HD2      PHE  32  -0.613 -17.974 -17.974
  229    HD2  PHE  32           HD1      PHE  32  -4.340 -17.660 -17.660
  230    HE1  PHE  32           HE2      PHE  32   0.497 -18.759 -18.759
  231    HE2  PHE  32           HE1      PHE  32  -3.230 -18.444 -18.444
  232    HZ   PHE  32           HZ       PHE  32  -0.812 -18.994 -18.994
  233    H    CYS  33           H        CYS  33  -2.980 -13.811 -13.811
  234    HA   CYS  33           HA       CYS  33  -3.720 -12.951 -12.951
  235   1HB   CYS  33          2HB       CYS  33  -1.868 -15.082 -15.082
  236   2HB   CYS  33          1HB       CYS  33  -3.125 -15.169 -15.169
  237    H    SER  34           H        SER  34  -5.895 -12.851 -12.851
  238    HA   SER  34           HA       SER  34  -7.666 -15.121 -15.121
  239   1HB   SER  34          2HB       SER  34  -8.244 -12.452 -12.452
  240   2HB   SER  34          1HB       SER  34  -9.364 -13.481 -13.481
  241    HG   SER  34           HG       SER  34  -8.776 -12.363 -12.363
  242    H    SER  35           H        SER  35  -9.478 -14.846 -14.846
  243    HA   SER  35           HA       SER  35  -7.964 -16.109 -16.109
  244   1HB   SER  35          2HB       SER  35 -10.338 -16.633 -16.633
  245   2HB   SER  35          1HB       SER  35 -10.895 -15.804 -15.804
  246    HG   SER  35           HG       SER  35  -9.586 -18.242 -18.242
  247    H    ARG  36           H        ARG  36  -7.860 -13.150 -13.150
  248    HA   ARG  36           HA       ARG  36  -9.019 -12.279 -12.279
  249   1HB   ARG  36          2HB       ARG  36  -8.721 -10.618 -10.618
  250   2HB   ARG  36          1HB       ARG  36  -9.630 -10.203 -10.203
  251   1HG   ARG  36          2HG       ARG  36 -10.265 -12.628 -12.628
  252   2HG   ARG  36          1HG       ARG  36 -11.030 -11.058 -11.058
  253   1HD   ARG  36          2HD       ARG  36 -11.613 -11.160 -11.160
  254   2HD   ARG  36          1HD       ARG  36 -11.243 -12.891 -12.891
  255    HE   ARG  36           HE       ARG  36 -13.348 -11.484 -11.484
  256   1HH1  ARG  36          1HH1      ARG  36 -13.553 -15.057 -15.057
  257   2HH1  ARG  36          2HH1      ARG  36 -12.702 -13.726 -13.726
  258   1HH2  ARG  36          1HH2      ARG  36 -14.080 -13.454 -13.454
  259   2HH2  ARG  36          2HH2      ARG  36 -14.334 -14.903 -14.903
  260    H    GLY  37           H        GLY  37  -6.215 -12.751 -12.751
  261   1HA   GLY  37          2HA       GLY  37  -4.115 -12.274 -12.274
  262   2HA   GLY  37          1HA       GLY  37  -4.770 -10.655 -10.655
  263    H    LYS  38           H        LYS  38  -2.800  -9.828  -9.828
  264    HA   LYS  38           HA       LYS  38  -2.521 -10.385 -10.385
  265   1HB   LYS  38          2HB       LYS  38  -0.902  -8.423  -8.423
  266   2HB   LYS  38          1HB       LYS  38  -0.401  -9.397  -9.397
  267   1HG   LYS  38          2HG       LYS  38   0.583 -10.652 -10.652
  268   2HG   LYS  38          1HG       LYS  38  -1.025 -11.372 -11.372
  269   1HD   LYS  38          2HD       LYS  38  -1.229 -10.647 -10.647
  270   2HD   LYS  38          1HD       LYS  38  -1.004  -8.983  -8.983
  271   1HE   LYS  38          2HE       LYS  38   1.475  -9.334  -9.334
  272   2HE   LYS  38          1HE       LYS  38   1.190 -10.950 -10.950
  273   1HZ   LYS  38          3HZ       LYS  38  -0.297  -9.737  -9.737
  274   2HZ   LYS  38          2HZ       LYS  38   0.496  -8.319  -8.319
  275   3HZ   LYS  38          1HZ       LYS  38   1.379  -9.586  -9.586
  276    H    VAL  39           H        VAL  39  -1.406  -7.495  -7.495
  277    HA   VAL  39           HA       VAL  39  -4.028  -6.064  -6.064
  278    HB   VAL  39           HB       VAL  39  -1.681  -5.429  -5.429
  279   1HG1  VAL  39          3HG1      VAL  39  -4.398  -4.591  -4.591
  280   2HG1  VAL  39          2HG1      VAL  39  -4.236  -5.381  -5.381
  281   3HG1  VAL  39          1HG1      VAL  39  -3.197  -4.016  -4.016
  282   1HG2  VAL  39          2HG2      VAL  39  -3.316  -7.892  -7.892
  283   2HG2  VAL  39          1HG2      VAL  39  -1.744  -7.569  -7.569
  284   3HG2  VAL  39          3HG2      VAL  39  -3.216  -7.035  -7.035
  285    H    VAL  40           H        VAL  40  -2.776  -3.579  -3.579
  286    HA   VAL  40           HA       VAL  40  -0.694  -3.094  -3.094
  287    HB   VAL  40           HB       VAL  40  -2.976  -1.285  -1.285
  288   1HG1  VAL  40          2HG1      VAL  40  -0.986  -2.875  -2.875
  289   2HG1  VAL  40          1HG1      VAL  40  -2.436  -2.304  -2.304
  290   3HG1  VAL  40          3HG1      VAL  40  -1.343  -1.149  -1.149
  291   1HG2  VAL  40          2HG2      VAL  40  -4.205  -3.396  -3.396
  292   2HG2  VAL  40          1HG2      VAL  40  -4.382  -2.900  -2.900
  293   3HG2  VAL  40          3HG2      VAL  40  -3.273  -4.212  -4.212
  294    H    GLU  41           H        GLU  41   0.204  -2.681  -2.681
  295    HA   GLU  41           HA       GLU  41  -0.815  -0.404  -0.404
  296   1HB   GLU  41          2HB       GLU  41   1.526  -2.243  -2.243
  297   2HB   GLU  41          1HB       GLU  41   0.585  -1.326  -1.326
  298   1HG   GLU  41          2HG       GLU  41  -1.277  -2.887  -2.887
  299   2HG   GLU  41          1HG       GLU  41   0.067  -3.957  -3.957
  300    H    LEU  42           H        LEU  42  -0.170   1.295   1.295
  301    HA   LEU  42           HA       LEU  42   2.669   1.681   1.681
  302   1HB   LEU  42          2HB       LEU  42   0.506   3.763   3.763
  303   2HB   LEU  42          1HB       LEU  42   1.855   3.451   3.451
  304    HG   LEU  42           HG       LEU  42   0.246   1.090   1.090
  305   1HD1  LEU  42          3HD1      LEU  42  -1.232   3.708   3.708
  306   2HD1  LEU  42          2HD1      LEU  42  -1.807   2.264   2.264
  307   3HD1  LEU  42          1HD1      LEU  42  -1.680   2.274   2.274
  308   1HD2  LEU  42          1HD2      LEU  42   1.725   2.414   2.414
  309   2HD2  LEU  42          3HD2      LEU  42   0.459   1.289   1.289
  310   3HD2  LEU  42          2HD2      LEU  42   0.140   3.025   3.025
  311    H    GLY  43           H        GLY  43   3.381   4.158   4.158
  312   1HA   GLY  43          2HA       GLY  43   2.525   5.621   5.621
  313   2HA   GLY  43          1HA       GLY  43   3.461   4.323   4.323
  314    H    CYS  44           H        CYS  44   5.296   5.414   5.414
  315    HA   CYS  44           HA       CYS  44   6.756   7.042   7.042
  316   1HB   CYS  44          2HB       CYS  44   7.008   7.075   7.075
  317   2HB   CYS  44          1HB       CYS  44   7.539   8.301   8.301
  318    H    ALA  45           H        ALA  45   9.130   6.846   6.846
  319    HA   ALA  45           HA       ALA  45  10.433   4.833   4.833
  320   1HB   ALA  45          2HB       ALA  45   9.800   4.261   4.261
  321   2HB   ALA  45          1HB       ALA  45  10.874   3.282   3.282
  322   3HB   ALA  45          3HB       ALA  45   9.158   3.389   3.389
  323    H    ALA  46           H        ALA  46  12.720   4.947   4.947
  324    HA   ALA  46           HA       ALA  46  13.738   7.424   7.424
  325   1HB   ALA  46          2HB       ALA  46  14.535   5.451   5.451
  326   2HB   ALA  46          1HB       ALA  46  15.605   5.164   5.164
  327   3HB   ALA  46          3HB       ALA  46  15.588   6.740   6.740
  328    H    THR  47           H        THR  47  13.828   4.087   4.087
  329    HA   THR  47           HA       THR  47  14.220   5.157   5.157
  330    HB   THR  47           HB       THR  47  16.474   5.012   5.012
  331    HG1  THR  47           HG1      THR  47  16.011   4.605   4.605
  332   1HG2  THR  47          1HG2      THR  47  15.597   2.815   2.815
  333   2HG2  THR  47          3HG2      THR  47  16.297   2.036   2.036
  334   3HG2  THR  47          2HG2      THR  47  17.309   3.028   3.028
  335    H    CYS  48           H        CYS  48  13.568   3.639   3.639
  336    HA   CYS  48           HA       CYS  48  11.606   1.770   1.770
  337   1HB   CYS  48          2HB       CYS  48  13.887   1.511   1.511
  338   2HB   CYS  48          1HB       CYS  48  12.284   0.797   0.797
  339    HA   PRO  49           HA       PRO  49  14.185  -1.128  -1.128
  340   1HB   PRO  49          2HB       PRO  49  12.140  -2.096  -2.096
  341   2HB   PRO  49          1HB       PRO  49  12.994  -0.589  -0.589
  342   1HG   PRO  49          2HG       PRO  49  10.324  -0.995  -0.995
  343   2HG   PRO  49          1HG       PRO  49  10.908   0.306   0.306
  344   1HD   PRO  49          2HD       PRO  49  10.577   0.463   0.463
  345   2HD   PRO  49          1HD       PRO  49  11.543   1.573   1.573
  346    H    SER  50           H        SER  50  14.629  -3.064  -3.064
  347    HA   SER  50           HA       SER  50  12.371  -4.511  -4.511
  348   1HB   SER  50          2HB       SER  50  15.302  -4.138  -4.138
  349   2HB   SER  50          1HB       SER  50  14.557  -5.632  -5.632
  350    HG   SER  50           HG       SER  50  13.210  -3.253  -3.253
  351    H    LYS  51           H        LYS  51  12.062  -6.735  -6.735
  352    HA   LYS  51           HA       LYS  51  13.613  -7.771  -7.771
  353   1HB   LYS  51          2HB       LYS  51  10.805  -7.498  -7.498
  354   2HB   LYS  51          1HB       LYS  51  11.195  -9.195  -9.195
  355   1HG   LYS  51          2HG       LYS  51  10.890  -8.573  -8.573
  356   2HG   LYS  51          1HG       LYS  51  12.578  -8.088  -8.088
  357   1HD   LYS  51          2HD       LYS  51  12.063  -5.831  -5.831
  358   2HD   LYS  51          1HD       LYS  51  10.448  -6.138  -6.138
  359   1HE   LYS  51          2HE       LYS  51   9.771  -5.656  -5.656
  360   2HE   LYS  51          1HE       LYS  51  10.295  -7.315  -7.315
  361   1HZ   LYS  51          2HZ       LYS  51  12.629  -6.107  -6.107
  362   2HZ   LYS  51          1HZ       LYS  51  11.666  -4.788  -4.788
  363   3HZ   LYS  51          3HZ       LYS  51  11.648  -6.215  -6.215
  364    H    LYS  52           H        LYS  52  13.903 -10.163 -10.163
  365    HA   LYS  52           HA       LYS  52  14.559 -11.134 -11.134
  366   1HB   LYS  52          2HB       LYS  52  15.660 -11.262 -11.262
  367   2HB   LYS  52          1HB       LYS  52  15.374 -12.909 -12.909
  368   1HG   LYS  52          2HG       LYS  52  16.587 -12.393 -12.393
  369   2HG   LYS  52          1HG       LYS  52  16.901 -10.762 -10.762
  370   1HD   LYS  52          2HD       LYS  52  17.990 -11.874 -11.874
  371   2HD   LYS  52          1HD       LYS  52  17.936 -13.375 -13.375
  372   1HE   LYS  52          2HE       LYS  52  19.017 -11.121 -11.121
  373   2HE   LYS  52          1HE       LYS  52  19.994 -11.533 -11.533
  374   1HZ   LYS  52          1HZ       LYS  52  18.900 -13.698 -13.698
  375   2HZ   LYS  52          3HZ       LYS  52  20.279 -12.875 -12.875
  376   3HZ   LYS  52          2HZ       LYS  52  20.308 -13.676 -13.676
  377    HA   PRO  53           HA       PRO  53  11.833 -14.665 -14.665
  378   1HB   PRO  53          2HB       PRO  53   9.905 -13.990 -13.990
  379   2HB   PRO  53          1HB       PRO  53  11.533 -14.524 -14.524
  380   1HG   PRO  53          2HG       PRO  53  10.380 -11.797 -11.797
  381   2HG   PRO  53          1HG       PRO  53  11.575 -12.504 -12.504
  382   1HD   PRO  53          2HD       PRO  53  12.151 -10.797 -10.797
  383   2HD   PRO  53          1HD       PRO  53  13.316 -11.898 -11.898
  384    H    TYR  54           H        TYR  54   9.268 -12.401 -12.401
  385    HA   TYR  54           HA       TYR  54   8.258 -12.515 -12.515
  386   1HB   TYR  54          2HB       TYR  54   5.974 -12.908 -12.908
  387   2HB   TYR  54          1HB       TYR  54   6.956 -14.232 -14.232
  388    HD1  TYR  54           HD2      TYR  54   7.170 -11.881 -11.881
  389    HD2  TYR  54           HD1      TYR  54   7.268 -15.945 -15.945
  390    HE1  TYR  54           HE2      TYR  54   7.606 -12.659 -12.659
  391    HE2  TYR  54           HE1      TYR  54   7.705 -16.723 -16.723
  392    HH   TYR  54           HH       TYR  54   7.410 -14.628 -14.628
  393    H    GLU  55           H        GLU  55   9.051 -10.569 -10.569
  394    HA   GLU  55           HA       GLU  55   6.787  -8.778  -8.778
  395   1HB   GLU  55          2HB       GLU  55   9.510  -9.057  -9.057
  396   2HB   GLU  55          1HB       GLU  55   9.150  -7.377  -7.377
  397   1HG   GLU  55          2HG       GLU  55   8.307  -7.420  -7.420
  398   2HG   GLU  55          1HG       GLU  55   6.872  -7.963  -7.963
  399    H    GLU  56           H        GLU  56   6.081  -7.674  -7.674
  400    HA   GLU  56           HA       GLU  56   8.117  -6.706  -6.706
  401   1HB   GLU  56          2HB       GLU  56   5.382  -7.789  -7.789
  402   2HB   GLU  56          1HB       GLU  56   5.602  -6.368  -6.368
  403   1HG   GLU  56          2HG       GLU  56   7.825  -7.646  -7.646
  404   2HG   GLU  56          1HG       GLU  56   6.899  -9.057  -9.057
  405    H    VAL  57           H        VAL  57   8.703  -4.744  -4.744
  406    HA   VAL  57           HA       VAL  57   6.543  -2.840  -2.840
  407    HB   VAL  57           HB       VAL  57   9.555  -2.572  -2.572
  408   1HG1  VAL  57          3HG1      VAL  57   7.201  -1.033  -1.033
  409   2HG1  VAL  57          2HG1      VAL  57   8.497  -1.241  -1.241
  410   3HG1  VAL  57          1HG1      VAL  57   8.832  -0.478  -0.478
  411   1HG2  VAL  57          3HG2      VAL  57   7.776  -4.375  -4.375
  412   2HG2  VAL  57          2HG2      VAL  57   9.517  -4.179  -4.179
  413   3HG2  VAL  57          1HG2      VAL  57   8.400  -3.187  -3.187
  414    H    THR  58           H        THR  58   6.867  -0.523  -0.523
  415    HA   THR  58           HA       THR  58   8.200  -0.324  -0.324
  416    HB   THR  58           HB       THR  58   5.470   0.835   0.835
  417    HG1  THR  58           HG1      THR  58   5.902  -1.927  -1.927
  418   1HG2  THR  58          1HG2      THR  58   7.249  -0.276  -0.276
  419   2HG2  THR  58          3HG2      THR  58   5.511  -0.446  -0.446
  420   3HG2  THR  58          2HG2      THR  58   6.219   1.155   1.155
  421    H    CYS  59           H        CYS  59   7.421   2.233   2.233
  422    HA   CYS  59           HA       CYS  59   7.957   3.905   3.905
  423   1HB   CYS  59          2HB       CYS  59   9.548   3.590   3.590
  424   2HB   CYS  59          1HB       CYS  59   9.437   5.197   5.197
  425    H    CYS  60           H        CYS  60   7.803   6.262   6.262
  426    HA   CYS  60           HA       CYS  60   6.366   7.022   7.022
  427   1HB   CYS  60          2HB       CYS  60   4.254   6.491   6.491
  428   2HB   CYS  60          1HB       CYS  60   4.858   5.859   5.859
  429    H    SER  61           H        SER  61   7.337   8.986   8.986
  430    HA   SER  61           HA       SER  61   7.879  10.641  10.641
  431   1HB   SER  61          2HB       SER  61   9.519  11.724  11.724
  432   2HB   SER  61          1HB       SER  61   9.819  10.019  10.019
  433    HG   SER  61           HG       SER  61   9.584   9.702   9.702
  434    H    THR  62           H        THR  62   5.717  10.531  10.531
  435    HA   THR  62           HA       THR  62   5.553  13.424  13.424
  436    HB   THR  62           HB       THR  62   3.269  11.705  11.705
  437    HG1  THR  62           HG1      THR  62   4.489  10.096  10.096
  438   1HG2  THR  62          3HG2      THR  62   5.159  13.631  13.631
  439   2HG2  THR  62          2HG2      THR  62   4.046  12.645  12.645
  440   3HG2  THR  62          1HG2      THR  62   3.419  13.783  13.783
  441    H    ASP  63           H        ASP  63   3.027  14.209  14.209
  442    HA   ASP  63           HA       ASP  63   2.474  14.365  14.365
  443   1HB   ASP  63          2HB       ASP  63   1.574  15.525  15.525
  444   2HB   ASP  63          1HB       ASP  63   0.287  15.379  15.379
  445    H    LYS  64           H        LYS  64   1.201  12.949  12.949
  446    HA   LYS  64           HA       LYS  64  -0.188  11.061  11.061
  447   1HB   LYS  64          2HB       LYS  64  -1.753  12.377  12.377
  448   2HB   LYS  64          1HB       LYS  64  -2.398  11.451  11.451
  449   1HG   LYS  64          2HG       LYS  64  -1.802  13.151  13.151
  450   2HG   LYS  64          1HG       LYS  64  -0.809  13.996  13.996
  451   1HD   LYS  64          2HD       LYS  64  -2.880  14.394  14.394
  452   2HD   LYS  64          1HD       LYS  64  -3.824  13.698  13.698
  453   1HE   LYS  64          2HE       LYS  64  -2.907  15.431  15.431
  454   2HE   LYS  64          1HE       LYS  64  -2.058  16.166  16.166
  455   1HZ   LYS  64          2HZ       LYS  64  -4.321  16.094  16.094
  456   2HZ   LYS  64          1HZ       LYS  64  -4.971  15.864  15.864
  457   3HZ   LYS  64          3HZ       LYS  64  -4.098  17.275  17.275
  458    H    CYS  65           H        CYS  65   1.932  10.398  10.398
  459    HA   CYS  65           HA       CYS  65   0.795   9.007   9.007
  460   1HB   CYS  65          2HB       CYS  65   3.274   8.370   8.370
  461   2HB   CYS  65          1HB       CYS  65   2.848  10.067  10.067
  462    H    ASN  66           H        ASN  66   0.275   8.214   8.214
  463    HA   ASN  66           HA       ASN  66   1.349   5.427   5.427
  464   1HB   ASN  66          2HB       ASN  66   0.976   7.478   7.478
  465   2HB   ASN  66          1HB       ASN  66   0.110   6.016   6.016
  466   1HD2  ASN  66          2HD2      ASN  66   4.003   5.168   5.168
  467   2HD2  ASN  66          1HD2      ASN  66   3.025   5.864   5.864
  468    HA   PRO  67           HA       PRO  67  -3.441   5.376   5.376
  469   1HB   PRO  67          2HB       PRO  67  -4.125   5.598   5.598
  470   2HB   PRO  67          1HB       PRO  67  -4.009   7.002   7.002
  471   1HG   PRO  67          2HG       PRO  67  -2.116   6.047   6.047
  472   2HG   PRO  67          1HG       PRO  67  -2.499   7.697   7.697
  473   1HD   PRO  67          2HD       PRO  67  -0.242   6.287   6.287
  474   2HD   PRO  67          1HD       PRO  67  -0.909   7.690   7.690
  475    H    HIS  68           H        HIS  68  -3.348   3.136   3.136
  476    HA   HIS  68           HA       HIS  68  -2.244   1.330   1.330
  477   1HB   HIS  68          2HB       HIS  68  -2.741  -0.363  -0.363
  478   2HB   HIS  68          1HB       HIS  68  -1.895   0.997   0.997
  479    HD1  HIS  68           HD1      HIS  68  -4.997  -0.969  -0.969
  480    HD2  HIS  68           HD2      HIS  68  -3.663   2.744   2.744
  481    HE1  HIS  68           HE1      HIS  68  -6.570  -0.273  -0.273
  482    HA   PRO  69           HA       PRO  69  -6.063   0.270   0.270
  483   1HB   PRO  69          2HB       PRO  69  -5.983  -2.461  -2.461
  484   2HB   PRO  69          1HB       PRO  69  -4.983  -1.392  -1.392
  485   1HG   PRO  69          2HG       PRO  69  -4.246  -2.947  -2.947
  486   2HG   PRO  69          1HG       PRO  69  -3.307  -2.626  -2.626
  487   1HD   PRO  69          2HD       PRO  69  -2.936  -1.307  -1.307
  488   2HD   PRO  69          1HD       PRO  69  -2.549  -0.612  -0.612
  489    H    LYS  70           H        LYS  70  -7.594   0.844   0.844
  490    HA   LYS  70           HA       LYS  70  -8.495  -1.378  -1.378
  491   1HB   LYS  70          2HB       LYS  70  -9.228   1.151   1.151
  492   2HB   LYS  70          1HB       LYS  70  -8.084  -0.008  -0.008
  493   1HG   LYS  70          2HG       LYS  70  -6.788   1.933   1.933
  494   2HG   LYS  70          1HG       LYS  70  -6.401   1.065   1.065
  495   1HD   LYS  70          2HD       LYS  70  -7.743   2.504   2.504
  496   2HD   LYS  70          1HD       LYS  70  -8.661   3.055   3.055
  497   1HE   LYS  70          2HE       LYS  70  -6.674   4.241   4.241
  498   2HE   LYS  70          1HE       LYS  70  -5.741   3.688   3.688
  499   1HZ   LYS  70          2HZ       LYS  70  -8.330   4.886   4.886
  500   2HZ   LYS  70          1HZ       LYS  70  -7.137   5.953   5.953
  501   3HZ   LYS  70          3HZ       LYS  70  -6.858   5.041   5.041
  502    H    GLN  71           H        GLN  71  -9.770   1.864   1.864
  503    HA   GLN  71           HA       GLN  71 -12.477   0.826   0.826
  504   1HB   GLN  71          2HB       GLN  71 -13.027   3.181   3.181
  505   2HB   GLN  71          1HB       GLN  71 -11.764   3.002   3.002
  506   1HG   GLN  71          2HG       GLN  71 -10.201   3.333   3.333
  507   2HG   GLN  71          1HG       GLN  71 -11.619   4.226   4.226
  508   1HE2  GLN  71          2HE2      GLN  71 -10.015   5.580   5.580
  509   2HE2  GLN  71          1HE2      GLN  71 -10.220   3.911   3.911
  510    H    ARG  72           H        ARG  72 -10.825  -0.326  -0.326
  511    HA   ARG  72           HA       ARG  72 -12.306   0.527   0.527
  512   1HB   ARG  72          2HB       ARG  72 -10.369   2.144   2.144
  513   2HB   ARG  72          1HB       ARG  72  -9.286   0.779   0.779
  514   1HG   ARG  72          2HG       ARG  72 -10.046   0.485   0.485
  515   2HG   ARG  72          1HG       ARG  72 -11.475   1.484   1.484
  516   1HD   ARG  72          2HD       ARG  72 -10.172   3.082   3.082
  517   2HD   ARG  72          1HD       ARG  72  -9.518   3.282   3.282
  518    HE   ARG  72           HE       ARG  72  -8.251   1.148   1.148
  519   1HH1  ARG  72          1HH2      ARG  72  -8.366   4.548   4.548
  520   2HH1  ARG  72          2HH2      ARG  72  -6.646   4.755   4.755
  521   1HH2  ARG  72          2HH1      ARG  72  -5.973   1.353   1.353
  522   2HH2  ARG  72          1HH1      ARG  72  -5.291   2.945   2.945
  523    HA   PRO  73           HA       PRO  73 -11.224  -3.885  -3.885
  524   1HB   PRO  73          2HB       PRO  73 -13.506  -4.654  -4.654
  525   2HB   PRO  73          1HB       PRO  73 -13.432  -4.403  -4.403
  526   1HG   PRO  73          2HG       PRO  73 -14.525  -2.632  -2.632
  527   2HG   PRO  73          1HG       PRO  73 -15.102  -2.913  -2.913
  528   1HD   PRO  73          2HD       PRO  73 -13.666  -0.706  -0.706
  529   2HD   PRO  73          1HD       PRO  73 -13.736  -1.318  -1.318
  530    H    GLY  74           HN       GLY  74  -9.568  -2.973  -2.973
  531   1HA   GLY  74          2HA       GLY  74  -9.324  -4.262  -4.262
  532   2HA   GLY  74          1HA       GLY  74 -10.442  -2.981  -2.981
  533   1H    MET   1          3H        MET  75 -11.448  -5.934  -5.934
  534   2H    MET   1          2H        MET  75 -11.710  -6.077  -6.077
  535   3H    MET   1          1H        MET  75 -13.003  -5.701  -5.701
  536    HA   MET   1           HA       MET  75 -12.426  -3.520  -3.520
  537   1HB   MET   1          2HB       MET  75 -11.171  -4.546  -4.546
  538   2HB   MET   1          1HB       MET  75 -11.513  -2.844  -2.844
  539   1HG   MET   1          2HG       MET  75 -13.899  -3.356  -3.356
  540   2HG   MET   1          1HG       MET  75 -13.574  -5.069  -5.069
  541   1HE   MET   1          2HE       MET  75 -14.875  -5.634  -5.634
  542   2HE   MET   1          1HE       MET  75 -14.824  -5.250  -5.250
  543   3HE   MET   1          3HE       MET  75 -15.740  -4.224  -4.224
  544    H    ARG   2           H        ARG  76 -10.780  -4.128  -4.128
  545    HA   ARG   2           HA       ARG  76  -8.103  -3.069  -3.069
  546   1HB   ARG   2          2HB       ARG  76  -8.769  -5.729  -5.729
  547   2HB   ARG   2          1HB       ARG  76  -7.843  -5.005  -5.005
  548   1HG   ARG   2          2HG       ARG  76  -6.318  -6.059  -6.059
  549   2HG   ARG   2          1HG       ARG  76  -6.104  -4.309  -4.309
  550   1HD   ARG   2          2HD       ARG  76  -6.229  -5.409  -5.409
  551   2HD   ARG   2          1HD       ARG  76  -7.432  -4.130  -4.130
  552    HE   ARG   2           HE       ARG  76  -9.131  -5.811  -5.811
  553   1HH1  ARG   2          1HH2      ARG  76  -8.810  -8.025  -8.025
  554   2HH1  ARG   2          2HH2      ARG  76  -8.086  -9.235  -9.235
  555   1HH2  ARG   2          1HH1      ARG  76  -7.039  -8.635  -8.635
  556   2HH2  ARG   2          2HH1      ARG  76  -6.962  -6.966  -6.966
  557    H    TYR   3           H        TYR  77  -6.874  -2.242  -2.242
  558    HA   TYR   3           HA       TYR  77  -8.575  -1.161  -1.161
  559   1HB   TYR   3          2HB       TYR  77  -5.703  -0.399  -0.399
  560   2HB   TYR   3          1HB       TYR  77  -7.087   0.631   0.631
  561    HD1  TYR   3           HD2      TYR  77  -5.204  -1.102  -1.102
  562    HD2  TYR   3           HD1      TYR  77  -8.357   1.679   1.679
  563    HE1  TYR   3           HE2      TYR  77  -5.265  -0.412  -0.412
  564    HE2  TYR   3           HE1      TYR  77  -8.415   2.372   2.372
  565    HH   TYR   3           HH       TYR  77  -6.107   1.943   1.943
  566    H    TYR   4           H        TYR  78  -8.224  -3.764  -3.764
  567    HA   TYR   4           HA       TYR  78  -5.797  -4.823  -4.823
  568   1HB   TYR   4          2HB       TYR  78  -8.557  -5.561  -5.561
  569   2HB   TYR   4          1HB       TYR  78  -7.996  -6.258  -6.258
  570    HD1  TYR   4           HD1      TYR  78  -6.237  -5.575  -5.575
  571    HD2  TYR   4           HD2      TYR  78  -7.501  -8.491  -8.491
  572    HE1  TYR   4           HE1      TYR  78  -5.048  -7.347  -7.347
  573    HE2  TYR   4           HE2      TYR  78  -6.309 -10.261 -10.261
  574    HH   TYR   4           HH       TYR  78  -4.804 -10.649 -10.649
  575    H    GLU   5           H        GLU  79  -6.159  -6.084  -6.084
  576    HA   GLU   5           HA       GLU  79  -6.069  -4.061  -4.061
  577   1HB   GLU   5          2HB       GLU  79  -5.402  -5.990  -5.990
  578   2HB   GLU   5          1HB       GLU  79  -4.550  -6.040  -6.040
  579   1HG   GLU   5          2HG       GLU  79  -5.445  -8.049  -8.049
  580   2HG   GLU   5          1HG       GLU  79  -7.072  -7.392  -7.392
  581    H    SER   6           H        SER  80  -8.455  -3.458  -3.458
  582    HA   SER   6           HA       SER  80 -10.132  -4.445  -4.445
  583   1HB   SER   6          2HB       SER  80 -10.426  -6.525  -6.525
  584   2HB   SER   6          1HB       SER  80 -10.066  -5.970  -5.970
  585    HG   SER   6           HG       SER  80 -12.175  -6.160  -6.160
  586    H    SER   7           H        SER  81  -9.750  -2.598  -2.598
  587    HA   SER   7           HA       SER  81 -11.685  -0.648  -0.648
  588   1HB   SER   7          2HB       SER  81 -12.697  -3.116  -3.116
  589   2HB   SER   7          1HB       SER  81 -13.284  -1.628  -1.628
  590    HG   SER   7           HG       SER  81 -14.485  -1.339  -1.339
  591    H    LEU   8           H        LEU  82 -12.398   0.685   0.685
  592    HA   LEU   8           HA       LEU  82 -10.153   0.713   0.713
  593   1HB   LEU   8          2HB       LEU  82 -11.971   2.854   2.854
  594   2HB   LEU   8          1HB       LEU  82 -10.843   3.150   3.150
  595    HG   LEU   8           HG       LEU  82 -10.216   2.382   2.382
  596   1HD1  LEU   8          3HD1      LEU  82 -10.495   4.798   4.798
  597   2HD1  LEU   8          2HD1      LEU  82  -9.069   4.561   4.561
  598   3HD1  LEU   8          1HD1      LEU  82  -8.944   4.406   4.406
  599   1HD2  LEU   8          2HD2      LEU  82  -8.576   2.060   2.060
  600   2HD2  LEU   8          1HD2      LEU  82  -8.742   0.957   0.957
  601   3HD2  LEU   8          3HD2      LEU  82  -7.782   2.426   2.426
  602    H    LYS   9           H        LYS  83 -13.577   0.411   0.411
  603    HA   LYS   9           HA       LYS  83 -14.436   1.261   1.261
  604   1HB   LYS   9          2HB       LYS  83 -15.481  -0.266  -0.266
  605   2HB   LYS   9          1HB       LYS  83 -16.332  -0.477  -0.477
  606   1HG   LYS   9          2HG       LYS  83 -17.407   1.364   1.364
  607   2HG   LYS   9          1HG       LYS  83 -16.353   2.083   2.083
  608   1HD   LYS   9          2HD       LYS  83 -14.869   1.714   1.714
  609   2HD   LYS   9          1HD       LYS  83 -16.360   2.589   2.589
  610   1HE   LYS   9          2HE       LYS  83 -15.184   3.592   3.592
  611   2HE   LYS   9          1HE       LYS  83 -14.012   3.673   3.673
  612   1HZ   LYS   9          2HZ       LYS  83 -16.841   4.501   4.501
  613   2HZ   LYS   9          1HZ       LYS  83 -15.624   5.592   5.592
  614   3HZ   LYS   9          3HZ       LYS  83 -15.538   4.819   4.819
  615    H    SER  10           H        SER  84 -13.111   0.254   0.254
  616    HA   SER  10           HA       SER  84 -12.014  -2.149  -2.149
  617   1HB   SER  10          2HB       SER  84 -13.386  -1.981  -1.981
  618   2HB   SER  10          1HB       SER  84 -12.040  -0.921  -0.921
  619    HG   SER  10           HG       SER  84 -13.423   0.647   0.647
  620    H    TYR  11           H        TYR  85 -12.770  -3.993  -3.993
  621    HA   TYR  11           HA       TYR  85 -15.525  -4.941  -4.941
  622   1HB   TYR  11          2HB       TYR  85 -15.097  -6.289  -6.289
  623   2HB   TYR  11          1HB       TYR  85 -15.520  -4.582  -4.582
  624    HD1  TYR  11           HD2      TYR  85 -12.536  -6.839  -6.839
  625    HD2  TYR  11           HD1      TYR  85 -14.124  -3.117  -3.117
  626    HE1  TYR  11           HE2      TYR  85 -10.400  -6.380  -6.380
  627    HE2  TYR  11           HE1      TYR  85 -11.985  -2.657  -2.657
  628    HH   TYR  11           HH       TYR  85  -9.735  -4.916  -4.916
  629    HA   PRO  12           HA       PRO  86 -13.447  -8.315  -8.315
  630   1HB   PRO  12          2HB       PRO  86 -15.567 -10.036 -10.036
  631   2HB   PRO  12          1HB       PRO  86 -15.388  -8.616  -8.616
  632   1HG   PRO  12          2HG       PRO  86 -17.099  -8.992  -8.992
  633   2HG   PRO  12          1HG       PRO  86 -17.428  -8.103  -8.103
  634   1HD   PRO  12          2HD       PRO  86 -16.698  -6.920  -6.920
  635   2HD   PRO  12          1HD       PRO  86 -16.426  -6.201  -6.201
  636    H    ASP  13           HN       ASP  87 -13.409 -10.872 -10.872
  637    HA   ASP  13           HA       ASP  87 -12.456 -11.341 -11.341
  638   1HB   ASP  13          2HB       ASP  87 -12.419 -13.724 -13.724
  639   2HB   ASP  13          1HB       ASP  87 -11.605 -12.555 -12.555

  Start of MODEL   20
    1   1H    ILE   1          3H        ILE   1   8.302  14.533  14.533
    2   2H    ILE   1          2H        ILE   1   8.328  15.778  15.778
    3   3H    ILE   1          1H        ILE   1   7.673  16.061  16.061
    4    HA   ILE   1           HA       ILE   1   5.830  15.790  15.790
    5    HB   ILE   1           HB       ILE   1   5.819  13.684  13.684
    6   1HG1  ILE   1          2HG1      ILE   1   8.728  13.591  13.591
    7   2HG1  ILE   1          1HG1      ILE   1   7.485  12.460  12.460
    8   1HG2  ILE   1          1HG2      ILE   1   6.926  16.140  16.140
    9   2HG2  ILE   1          3HG2      ILE   1   8.295  15.080  15.080
   10   3HG2  ILE   1          2HG2      ILE   1   6.783  14.869  14.869
   11   1HD1  ILE   1          1HD1      ILE   1   7.819  12.880  12.880
   12   2HD1  ILE   1          3HD1      ILE   1   9.031  11.912  11.912
   13   3HD1  ILE   1          2HD1      ILE   1   7.335  11.428  11.428
   14    H    VAL   2           H        VAL   2   3.959  14.561  14.561
   15    HA   VAL   2           HA       VAL   2   4.369  12.959  12.959
   16    HB   VAL   2           HB       VAL   2   1.739  13.771  13.771
   17   1HG1  VAL   2          2HG1      VAL   2   2.757  13.446  13.446
   18   2HG1  VAL   2          1HG1      VAL   2   1.127  13.965  13.965
   19   3HG1  VAL   2          3HG1      VAL   2   1.676  12.343  12.343
   20   1HG2  VAL   2          2HG2      VAL   2   3.618  15.507  15.507
   21   2HG2  VAL   2          1HG2      VAL   2   3.141  15.783  15.783
   22   3HG2  VAL   2          3HG2      VAL   2   1.947  15.919  15.919
   23    H    CYS   3           H        CYS   3   3.199  10.890  10.890
   24    HA   CYS   3           HA       CYS   3   2.565   9.585   9.585
   25   1HB   CYS   3          2HB       CYS   3   4.060   8.306   8.306
   26   2HB   CYS   3          1HB       CYS   3   3.936   7.759   7.759
   27    H    HIS   4           H        HIS   4   1.116   7.715   7.715
   28    HA   HIS   4           HA       HIS   4  -0.827   8.037   8.037
   29   1HB   HIS   4          2HB       HIS   4  -0.859   6.082   6.082
   30   2HB   HIS   4          1HB       HIS   4  -2.217   6.648   6.648
   31    HD1  HIS   4           HD1      HIS   4  -1.897   9.635   9.635
   32    HD2  HIS   4           HD2      HIS   4  -1.300   7.216   7.216
   33    HE1  HIS   4           HE1      HIS   4  -2.230  11.115  11.115
   34    H    THR   5           H        THR   5  -1.375   6.370   6.370
   35    HA   THR   5           HA       THR   5   0.520   4.050   4.050
   36    HB   THR   5           HB       THR   5   0.970   4.344   4.344
   37    HG1  THR   5           HG1      THR   5  -1.104   3.900   3.900
   38   1HG2  THR   5          2HG2      THR   5  -0.078   7.087   7.087
   39   2HG2  THR   5          1HG2      THR   5   0.847   6.755   6.755
   40   3HG2  THR   5          3HG2      THR   5   1.587   6.518   6.518
   41    H    THR   6           H        THR   6  -0.627   2.435   2.435
   42    HA   THR   6           HA       THR   6  -3.470   2.080   2.080
   43    HB   THR   6           HB       THR   6  -2.527  -0.131  -0.131
   44    HG1  THR   6           HG1      THR   6  -0.593   1.112   1.112
   45   1HG2  THR   6          3HG2      THR   6  -4.641   1.227   1.227
   46   2HG2  THR   6          2HG2      THR   6  -3.683   2.413   2.413
   47   3HG2  THR   6          1HG2      THR   6  -3.854   0.772   0.772
   48    H    ALA   7           H        ALA   7  -0.281   1.157   1.157
   49    HA   ALA   7           HA       ALA   7  -1.115  -1.304  -1.304
   50   1HB   ALA   7          3HB       ALA   7   1.344   0.012   0.012
   51   2HB   ALA   7          2HB       ALA   7   1.536  -0.956  -0.956
   52   3HB   ALA   7          1HB       ALA   7   0.910  -1.705  -1.705
   53    H    THR   8           H        THR   8  -0.142   1.988   1.988
   54    HA   THR   8           HA       THR   8  -0.116   1.229   1.229
   55    HB   THR   8           HB       THR   8   0.533   3.817   3.817
   56    HG1  THR   8           HG1      THR   8   1.502   3.112   3.112
   57   1HG2  THR   8          2HG2      THR   8   1.924   1.392   1.392
   58   2HG2  THR   8          1HG2      THR   8   2.746   2.370   2.370
   59   3HG2  THR   8          3HG2      THR   8   2.575   2.973   2.973
   60    H    SER   9           H        SER   9  -1.114   4.371   4.371
   61    HA   SER   9           HA       SER   9  -3.470   4.431   4.431
   62   1HB   SER   9          2HB       SER   9  -1.839   6.172   6.172
   63   2HB   SER   9          1HB       SER   9  -3.410   6.276   6.276
   64    HG   SER   9           HG       SER   9  -2.657   7.412   7.412
   65    HA   PRO  10           HA       PRO  10  -6.584   2.974   2.974
   66   1HB   PRO  10          2HB       PRO  10  -8.146   5.070   5.070
   67   2HB   PRO  10          1HB       PRO  10  -8.247   4.369   4.369
   68   1HG   PRO  10          2HG       PRO  10  -6.860   6.842   6.842
   69   2HG   PRO  10          1HG       PRO  10  -7.780   6.536   6.536
   70   1HD   PRO  10          2HD       PRO  10  -5.081   6.550   6.550
   71   2HD   PRO  10          1HD       PRO  10  -6.008   5.535   5.535
   72    H    ILE  11           H        ILE  11  -6.101   6.087   6.087
   73    HA   ILE  11           HA       ILE  11  -4.368   5.269   5.269
   74    HB   ILE  11           HB       ILE  11  -6.992   4.273   4.273
   75   1HG1  ILE  11          2HG1      ILE  11  -4.391   4.237   4.237
   76   2HG1  ILE  11          1HG1      ILE  11  -5.424   2.885   2.885
   77   1HG2  ILE  11          2HG2      ILE  11  -6.388   6.373   6.373
   78   2HG2  ILE  11          1HG2      ILE  11  -7.631   5.136   5.136
   79   3HG2  ILE  11          3HG2      ILE  11  -7.770   6.354   6.354
   80   1HD1  ILE  11          1HD1      ILE  11  -6.947   3.784   3.784
   81   2HD1  ILE  11          3HD1      ILE  11  -5.425   4.486   4.486
   82   3HD1  ILE  11          2HD1      ILE  11  -5.565   2.740   2.740
   83    H    SER  12           H        SER  12  -3.476   7.167   7.167
   84    HA   SER  12           HA       SER  12  -4.765   9.473   9.473
   85   1HB   SER  12          2HB       SER  12  -4.652  10.866  10.866
   86   2HB   SER  12          1HB       SER  12  -5.772   9.519   9.519
   87    HG   SER  12           HG       SER  12  -4.581   9.183   9.183
   88    H    ALA  13           H        ALA  13  -3.128  11.156  11.156
   89    HA   ALA  13           HA       ALA  13  -0.441  10.021  10.021
   90   1HB   ALA  13          2HB       ALA  13  -1.955  12.185  12.185
   91   2HB   ALA  13          1HB       ALA  13  -0.303  12.656  12.656
   92   3HB   ALA  13          3HB       ALA  13  -0.589  11.270  11.270
   93    H    VAL  14           H        VAL  14   0.383   9.967   9.967
   94    HA   VAL  14           HA       VAL  14   0.367  12.537  12.537
   95    HB   VAL  14           HB       VAL  14   0.695  11.249  11.249
   96   1HG1  VAL  14          1HG1      VAL  14  -1.356  10.561  10.561
   97   2HG1  VAL  14          3HG1      VAL  14  -0.486   9.036   9.036
   98   3HG1  VAL  14          2HG1      VAL  14  -0.953   9.616   9.616
   99   1HG2  VAL  14          1HG2      VAL  14   2.797  10.204  10.204
  100   2HG2  VAL  14          3HG2      VAL  14   1.745   9.017   9.017
  101   3HG2  VAL  14          2HG2      VAL  14   1.868   9.064   9.064
  102    H    THR  15           H        THR  15   2.278  13.537  13.537
  103    HA   THR  15           HA       THR  15   4.448  13.426  13.426
  104    HB   THR  15           HB       THR  15   4.642  14.217  14.217
  105    HG1  THR  15           HG1      THR  15   3.836  16.294  16.294
  106   1HG2  THR  15          1HG2      THR  15   6.152  14.651  14.651
  107   2HG2  THR  15          3HG2      THR  15   5.701  16.176  16.176
  108   3HG2  THR  15          2HG2      THR  15   6.621  14.974  14.974
  109    H    CYS  16           H        CYS  16   6.600  12.530  12.530
  110    HA   CYS  16           HA       CYS  16   6.650  10.081  10.081
  111   1HB   CYS  16          2HB       CYS  16   8.396  10.882  10.882
  112   2HB   CYS  16          1HB       CYS  16   8.184   9.271   9.271
  113    HA   PRO  17           HA       PRO  17   9.931  11.633  11.633
  114   1HB   PRO  17          2HB       PRO  17  11.661   9.505   9.505
  115   2HB   PRO  17          1HB       PRO  17  10.109   9.550   9.550
  116   1HG   PRO  17          2HG       PRO  17  10.812   8.215   8.215
  117   2HG   PRO  17          1HG       PRO  17   9.805   7.631   7.631
  118   1HD   PRO  17          2HD       PRO  17   8.758   8.631   8.631
  119   2HD   PRO  17          1HD       PRO  17   7.953   8.796   8.796
  120    HA   PRO  18           HA       PRO  18  13.314  13.101  13.101
  121   1HB   PRO  18          2HB       PRO  18  15.513  12.773  12.773
  122   2HB   PRO  18          1HB       PRO  18  14.271  14.007  14.007
  123   1HG   PRO  18          2HG       PRO  18  14.619  11.334  11.334
  124   2HG   PRO  18          1HG       PRO  18  14.185  12.885  12.885
  125   1HD   PRO  18          2HD       PRO  18  12.351  10.978  10.978
  126   2HD   PRO  18          1HD       PRO  18  11.972  12.713  12.713
  127    H    GLY  19           H        GLY  19  13.144   9.831   9.831
  128   1HA   GLY  19          2HA       GLY  19  15.623   9.037   9.037
  129   2HA   GLY  19          1HA       GLY  19  14.441   7.941   7.941
  130    H    GLU  20           H        GLU  20  12.153   8.242   8.242
  131    HA   GLU  20           HA       GLU  20  12.503   7.352   7.352
  132   1HB   GLU  20          2HB       GLU  20  10.176   8.195   8.195
  133   2HB   GLU  20          1HB       GLU  20   9.953   7.562   7.562
  134   1HG   GLU  20          2HG       GLU  20   9.916   5.534   5.534
  135   2HG   GLU  20          1HG       GLU  20  11.670   5.712   5.712
  136    H    ASN  21           H        ASN  21  13.237   8.827   8.827
  137    HA   ASN  21           HA       ASN  21  12.395  11.652  11.652
  138   1HB   ASN  21          2HB       ASN  21  14.066  10.132  10.132
  139   2HB   ASN  21          1HB       ASN  21  14.077  11.869  11.869
  140   1HD2  ASN  21          2HD2      ASN  21  15.413  10.680  10.680
  141   2HD2  ASN  21          1HD2      ASN  21  13.798  10.981  10.981
  142    H    LEU  22           H        LEU  22  11.365   8.732   8.732
  143    HA   LEU  22           HA       LEU  22   9.589  10.302  10.302
  144   1HB   LEU  22          2HB       LEU  22  10.250   8.891   8.891
  145   2HB   LEU  22          1HB       LEU  22  11.745   9.341   9.341
  146    HG   LEU  22           HG       LEU  22  10.928   7.062   7.062
  147   1HD1  LEU  22          1HD1      LEU  22   9.408   7.023   7.023
  148   2HD1  LEU  22          3HD1      LEU  22  10.849   6.197   6.197
  149   3HD1  LEU  22          2HD1      LEU  22   9.971   5.557   5.557
  150   1HD2  LEU  22          1HD2      LEU  22  13.093   7.979   7.979
  151   2HD2  LEU  22          3HD2      LEU  22  13.099   6.653   6.653
  152   3HD2  LEU  22          2HD2      LEU  22  12.695   6.343   6.343
  153    H    CYS  23           H        CYS  23   7.824   8.642   8.642
  154    HA   CYS  23           HA       CYS  23   6.878   7.065   7.065
  155   1HB   CYS  23          2HB       CYS  23   5.354   7.684   7.684
  156   2HB   CYS  23          1HB       CYS  23   4.713   7.318   7.318
  157    H    TYR  24           H        TYR  24   5.557   5.044   5.044
  158    HA   TYR  24           HA       TYR  24   6.743   3.792   3.792
  159   1HB   TYR  24          2HB       TYR  24   7.838   2.040   2.040
  160   2HB   TYR  24          1HB       TYR  24   8.315   3.525   3.525
  161    HD1  TYR  24           HD1      TYR  24   7.316   4.137   4.137
  162    HD2  TYR  24           HD2      TYR  24   6.393   0.437   0.437
  163    HE1  TYR  24           HE1      TYR  24   6.366   3.264   3.264
  164    HE2  TYR  24           HE2      TYR  24   5.437  -0.441  -0.441
  165    HH   TYR  24           HH       TYR  24   4.390   1.149   1.149
  166    H    ARG  25           H        ARG  25   5.949   1.401   1.401
  167    HA   ARG  25           HA       ARG  25   3.165   1.242   1.242
  168   1HB   ARG  25          2HB       ARG  25   3.822   0.364   0.364
  169   2HB   ARG  25          1HB       ARG  25   2.268   0.861   0.861
  170   1HG   ARG  25          2HG       ARG  25   3.178   3.198   3.198
  171   2HG   ARG  25          1HG       ARG  25   4.638   2.657   2.657
  172   1HD   ARG  25          2HD       ARG  25   3.599   2.545   2.545
  173   2HD   ARG  25          1HD       ARG  25   2.056   2.019   2.019
  174    HE   ARG  25           HE       ARG  25   2.981   4.809   4.809
  175   1HH1  ARG  25          2HH1      ARG  25   0.286   3.019   3.019
  176   2HH1  ARG  25          1HH1      ARG  25  -0.722   3.963   3.963
  177   1HH2  ARG  25          1HH2      ARG  25   1.898   5.832   5.832
  178   2HH2  ARG  25          2HH2      ARG  25   0.188   5.556   5.556
  179    H    LYS  26           H        LYS  26   3.243  -0.685  -0.685
  180    HA   LYS  26           HA       LYS  26   5.011  -2.857  -2.857
  181   1HB   LYS  26          2HB       LYS  26   4.262  -1.802  -1.802
  182   2HB   LYS  26          1HB       LYS  26   3.962  -3.530  -3.530
  183   1HG   LYS  26          2HG       LYS  26   6.187  -4.047  -4.047
  184   2HG   LYS  26          1HG       LYS  26   6.546  -2.482  -2.482
  185   1HD   LYS  26          2HD       LYS  26   5.708  -1.929  -1.929
  186   2HD   LYS  26          1HD       LYS  26   6.816  -3.295  -3.295
  187   1HE   LYS  26          2HE       LYS  26   7.557  -0.949  -0.949
  188   2HE   LYS  26          1HE       LYS  26   7.820  -0.871  -0.871
  189   1HZ   LYS  26          2HZ       LYS  26   8.894  -3.087  -3.087
  190   2HZ   LYS  26          1HZ       LYS  26   8.806  -2.960  -2.960
  191   3HZ   LYS  26          3HZ       LYS  26   9.745  -1.858  -1.858
  192    H    MET  27           H        MET  27   4.159  -5.049  -5.049
  193    HA   MET  27           HA       MET  27   1.297  -5.473  -5.473
  194   1HB   MET  27          2HB       MET  27   2.526  -4.775  -4.775
  195   2HB   MET  27          1HB       MET  27   1.991  -6.452  -6.452
  196   1HG   MET  27          2HG       MET  27  -0.262  -5.867  -5.867
  197   2HG   MET  27          1HG       MET  27   0.203  -4.245  -4.245
  198   1HE   MET  27          2HE       MET  27  -2.107  -4.735  -4.735
  199   2HE   MET  27          1HE       MET  27  -1.631  -3.039  -3.039
  200   3HE   MET  27          3HE       MET  27  -1.999  -3.814  -3.814
  201    H    TRP  28           H        TRP  28   0.845  -7.718  -7.718
  202    HA   TRP  28           HA       TRP  28   2.982  -9.648  -9.648
  203   1HB   TRP  28          2HB       TRP  28   2.860 -10.019 -10.019
  204   2HB   TRP  28          1HB       TRP  28   4.001  -8.912  -8.912
  205    HD1  TRP  28           HD1      TRP  28   0.269  -8.599  -8.599
  206    HE1  TRP  28           HE1      TRP  28   0.078  -6.449  -6.449
  207    HE3  TRP  28           HE3      TRP  28   5.058  -6.893  -6.893
  208    HZ2  TRP  28           HZ2      TRP  28   1.752  -4.281  -4.281
  209    HZ3  TRP  28           HZ3      TRP  28   5.736  -4.787  -4.787
  210    HH2  TRP  28           HH2      TRP  28   4.085  -3.472  -3.472
  211    H    CYS  29           H        CYS  29   1.042 -10.125 -10.125
  212    HA   CYS  29           HA       CYS  29  -1.089 -11.565 -11.565
  213   1HB   CYS  29          2HB       CYS  29   1.183 -12.655 -12.655
  214   2HB   CYS  29          1HB       CYS  29  -0.370 -13.294 -13.294
  215    H    ASP  30           H        ASP  30  -2.135 -12.794 -12.794
  216    HA   ASP  30           HA       ASP  30  -2.452 -10.720 -10.720
  217   1HB   ASP  30          2HB       ASP  30  -5.013 -10.787 -10.787
  218   2HB   ASP  30          1HB       ASP  30  -3.963  -9.784  -9.784
  219    H    ALA  31           H        ALA  31  -4.867 -11.675 -11.675
  220    HA   ALA  31           HA       ALA  31  -4.114 -13.931 -13.931
  221   1HB   ALA  31          1HB       ALA  31  -6.291 -12.188 -12.188
  222   2HB   ALA  31          3HB       ALA  31  -6.979 -13.788 -13.788
  223   3HB   ALA  31          2HB       ALA  31  -6.114 -13.447 -13.447
  224    H    PHE  32           H        PHE  32  -5.447 -13.731 -13.731
  225    HA   PHE  32           HA       PHE  32  -5.776 -16.704 -16.704
  226   1HB   PHE  32          2HB       PHE  32  -7.142 -14.365 -14.365
  227   2HB   PHE  32          1HB       PHE  32  -6.745 -15.527 -15.527
  228    HD1  PHE  32           HD1      PHE  32  -7.657 -17.803 -17.803
  229    HD2  PHE  32           HD2      PHE  32  -8.658 -14.949 -14.949
  230    HE1  PHE  32           HE1      PHE  32  -9.524 -19.255 -19.255
  231    HE2  PHE  32           HE2      PHE  32 -10.526 -16.401 -16.401
  232    HZ   PHE  32           HZ       PHE  32 -10.958 -18.554 -18.554
  233    H    CYS  33           H        CYS  33  -4.248 -13.939 -13.939
  234    HA   CYS  33           HA       CYS  33  -2.431 -13.874 -13.874
  235   1HB   CYS  33          2HB       CYS  33  -1.388 -14.982 -14.982
  236   2HB   CYS  33          1HB       CYS  33  -1.974 -16.546 -16.546
  237    H    SER  34           H        SER  34  -4.915 -14.841 -14.841
  238    HA   SER  34           HA       SER  34  -3.920 -16.216 -16.216
  239   1HB   SER  34          2HB       SER  34  -4.528 -17.775 -17.775
  240   2HB   SER  34          1HB       SER  34  -5.892 -17.996 -17.996
  241    HG   SER  34           HG       SER  34  -4.305 -18.428 -18.428
  242    H    SER  35           H        SER  35  -7.069 -16.596 -16.596
  243    HA   SER  35           HA       SER  35  -8.562 -15.921 -15.921
  244   1HB   SER  35          2HB       SER  35  -9.199 -17.385 -17.385
  245   2HB   SER  35          1HB       SER  35  -9.476 -15.901 -15.901
  246    HG   SER  35           HG       SER  35 -11.191 -15.470 -15.470
  247    H    ARG  36           H        ARG  36  -7.448 -14.004 -14.004
  248    HA   ARG  36           HA       ARG  36  -9.068 -11.682 -11.682
  249   1HB   ARG  36          2HB       ARG  36  -8.063 -12.733 -12.733
  250   2HB   ARG  36          1HB       ARG  36  -7.518 -11.068 -11.068
  251   1HG   ARG  36          2HG       ARG  36  -9.593 -10.675 -10.675
  252   2HG   ARG  36          1HG       ARG  36 -10.046 -10.713 -10.713
  253   1HD   ARG  36          2HD       ARG  36 -11.567 -12.282 -12.282
  254   2HD   ARG  36          1HD       ARG  36 -10.174 -13.380 -13.380
  255    HE   ARG  36           HE       ARG  36  -9.978 -13.248 -13.248
  256   1HH1  ARG  36          1HH2      ARG  36 -11.739 -10.557 -10.557
  257   2HH1  ARG  36          2HH2      ARG  36 -12.612 -10.308 -10.308
  258   1HH2  ARG  36          2HH1      ARG  36 -11.324 -13.129 -13.129
  259   2HH2  ARG  36          1HH1      ARG  36 -12.378 -11.764 -11.764
  260    H    GLY  37           H        GLY  37  -6.625 -12.694 -12.694
  261   1HA   GLY  37          2HA       GLY  37  -4.578 -11.861 -11.861
  262   2HA   GLY  37          1HA       GLY  37  -5.462 -10.333 -10.333
  263    H    LYS  38           H        LYS  38  -3.215  -9.444  -9.444
  264    HA   LYS  38           HA       LYS  38  -2.332  -9.914  -9.914
  265   1HB   LYS  38          2HB       LYS  38  -1.109  -7.885  -7.885
  266   2HB   LYS  38          1HB       LYS  38  -0.336  -8.948  -8.948
  267   1HG   LYS  38          2HG       LYS  38   0.275 -10.102 -10.102
  268   2HG   LYS  38          1HG       LYS  38  -1.350 -10.777 -10.777
  269   1HD   LYS  38          2HD       LYS  38  -1.930  -8.521  -8.521
  270   2HD   LYS  38          1HD       LYS  38  -0.275  -8.763  -8.763
  271   1HE   LYS  38          2HE       LYS  38  -2.209 -11.077 -11.077
  272   2HE   LYS  38          1HE       LYS  38  -2.193  -9.915  -9.915
  273   1HZ   LYS  38          1HZ       LYS  38   0.391 -10.254 -10.254
  274   2HZ   LYS  38          3HZ       LYS  38  -0.100 -11.762 -11.762
  275   3HZ   LYS  38          2HZ       LYS  38  -0.535 -11.292 -11.292
  276    H    VAL  39           H        VAL  39  -2.104  -8.051  -8.051
  277    HA   VAL  39           HA       VAL  39  -4.363  -6.229  -6.229
  278    HB   VAL  39           HB       VAL  39  -1.843  -5.841  -5.841
  279   1HG1  VAL  39          1HG1      VAL  39  -4.650  -5.001  -5.001
  280   2HG1  VAL  39          3HG1      VAL  39  -4.070  -5.667  -5.667
  281   3HG1  VAL  39          2HG1      VAL  39  -3.238  -4.300  -4.300
  282   1HG2  VAL  39          1HG2      VAL  39  -3.446  -8.246  -8.246
  283   2HG2  VAL  39          3HG2      VAL  39  -1.997  -7.932  -7.932
  284   3HG2  VAL  39          2HG2      VAL  39  -3.583  -7.505  -7.505
  285    H    VAL  40           H        VAL  40  -2.904  -3.831  -3.831
  286    HA   VAL  40           HA       VAL  40  -1.115  -3.152  -3.152
  287    HB   VAL  40           HB       VAL  40  -3.875  -1.948  -1.948
  288   1HG1  VAL  40          2HG1      VAL  40  -1.427  -0.703  -0.703
  289   2HG1  VAL  40          1HG1      VAL  40  -2.465  -0.823  -0.823
  290   3HG1  VAL  40          3HG1      VAL  40  -3.044  -0.002  -0.002
  291   1HG2  VAL  40          2HG2      VAL  40  -2.535  -3.664  -3.664
  292   2HG2  VAL  40          1HG2      VAL  40  -4.221  -3.654  -3.654
  293   3HG2  VAL  40          3HG2      VAL  40  -3.637  -2.417  -2.417
  294    H    GLU  41           H        GLU  41   0.408  -2.590  -2.590
  295    HA   GLU  41           HA       GLU  41  -0.439  -0.637  -0.637
  296   1HB   GLU  41          2HB       GLU  41   1.798  -2.660  -2.660
  297   2HB   GLU  41          1HB       GLU  41   1.065  -1.795  -1.795
  298   1HG   GLU  41          2HG       GLU  41  -1.067  -3.069  -3.069
  299   2HG   GLU  41          1HG       GLU  41   0.221  -4.269  -4.269
  300    H    LEU  42           H        LEU  42   0.131   1.078   1.078
  301    HA   LEU  42           HA       LEU  42   2.934   1.424   1.424
  302   1HB   LEU  42          2HB       LEU  42   0.854   3.598   3.598
  303   2HB   LEU  42          1HB       LEU  42   2.087   3.260   3.260
  304    HG   LEU  42           HG       LEU  42   0.338   0.995   0.995
  305   1HD1  LEU  42          3HD1      LEU  42  -0.983   3.711   3.711
  306   2HD1  LEU  42          2HD1      LEU  42  -1.730   2.234   2.234
  307   3HD1  LEU  42          1HD1      LEU  42  -1.385   2.401   2.401
  308   1HD2  LEU  42          3HD2      LEU  42   1.744   2.432   2.432
  309   2HD2  LEU  42          2HD2      LEU  42   0.551   1.196   1.196
  310   3HD2  LEU  42          1HD2      LEU  42   0.086   2.897   2.897
  311    H    GLY  43           H        GLY  43   3.722   3.884   3.884
  312   1HA   GLY  43          2HA       GLY  43   3.009   5.214   5.214
  313   2HA   GLY  43          1HA       GLY  43   3.986   3.876   3.876
  314    H    CYS  44           H        CYS  44   5.829   4.986   4.986
  315    HA   CYS  44           HA       CYS  44   7.145   6.730   6.730
  316   1HB   CYS  44          2HB       CYS  44   7.591   6.525   6.525
  317   2HB   CYS  44          1HB       CYS  44   8.141   7.803   7.803
  318    H    ALA  45           H        ALA  45   9.579   6.597   6.597
  319    HA   ALA  45           HA       ALA  45  10.887   4.322   4.322
  320   1HB   ALA  45          1HB       ALA  45   9.390   3.821   3.821
  321   2HB   ALA  45          3HB       ALA  45  11.020   4.033   4.033
  322   3HB   ALA  45          2HB       ALA  45  10.706   2.807   2.807
  323    H    ALA  46           H        ALA  46  13.096   4.702   4.702
  324    HA   ALA  46           HA       ALA  46  14.119   7.249   7.249
  325   1HB   ALA  46          2HB       ALA  46  14.890   4.970   4.970
  326   2HB   ALA  46          1HB       ALA  46  16.157   5.223   5.223
  327   3HB   ALA  46          3HB       ALA  46  15.726   6.521   6.521
  328    H    THR  47           H        THR  47  14.020   4.104   4.104
  329    HA   THR  47           HA       THR  47  14.699   5.296   5.296
  330    HB   THR  47           HB       THR  47  16.728   3.545   3.545
  331    HG1  THR  47           HG1      THR  47  17.673   3.426   3.426
  332   1HG2  THR  47          3HG2      THR  47  16.542   6.225   6.225
  333   2HG2  THR  47          2HG2      THR  47  17.342   6.030   6.030
  334   3HG2  THR  47          1HG2      THR  47  18.092   5.390   5.390
  335    H    CYS  48           H        CYS  48  14.025   3.924   3.924
  336    HA   CYS  48           HA       CYS  48  12.101   1.978   1.978
  337   1HB   CYS  48          2HB       CYS  48  14.368   2.018   2.018
  338   2HB   CYS  48          1HB       CYS  48  12.809   1.224   1.224
  339    HA   PRO  49           HA       PRO  49  14.725  -1.084  -1.084
  340   1HB   PRO  49          2HB       PRO  49  12.677  -2.324  -2.324
  341   2HB   PRO  49          1HB       PRO  49  13.443  -0.837  -0.837
  342   1HG   PRO  49          2HG       PRO  49  10.834  -1.213  -1.213
  343   2HG   PRO  49          1HG       PRO  49  11.327  -0.015  -0.015
  344   1HD   PRO  49          2HD       PRO  49  11.077   0.430   0.430
  345   2HD   PRO  49          1HD       PRO  49  11.940   1.474   1.474
  346    H    SER  50           H        SER  50  15.316  -2.853  -2.853
  347    HA   SER  50           HA       SER  50  13.161  -4.585  -4.585
  348   1HB   SER  50          2HB       SER  50  15.584  -3.930  -3.930
  349   2HB   SER  50          1HB       SER  50  13.962  -4.357  -4.357
  350    HG   SER  50           HG       SER  50  15.046  -1.915  -1.915
  351    H    LYS  51           H        LYS  51  13.587  -6.498  -6.498
  352    HA   LYS  51           HA       LYS  51  16.068  -7.917  -7.917
  353   1HB   LYS  51          2HB       LYS  51  16.661  -7.994  -7.994
  354   2HB   LYS  51          1HB       LYS  51  16.932  -6.443  -6.443
  355   1HG   LYS  51          2HG       LYS  51  14.238  -6.439  -6.439
  356   2HG   LYS  51          1HG       LYS  51  15.210  -7.037  -7.037
  357   1HD   LYS  51          2HD       LYS  51  16.717  -4.929  -4.929
  358   2HD   LYS  51          1HD       LYS  51  15.055  -4.344  -4.344
  359   1HE   LYS  51          2HE       LYS  51  16.029  -5.707  -5.707
  360   2HE   LYS  51          1HE       LYS  51  16.381  -3.989  -3.989
  361   1HZ   LYS  51          3HZ       LYS  51  13.673  -4.921  -4.921
  362   2HZ   LYS  51          2HZ       LYS  51  14.105  -4.780  -4.780
  363   3HZ   LYS  51          1HZ       LYS  51  14.195  -3.428  -3.428
  364    H    LYS  52           H        LYS  52  13.545  -8.749  -8.749
  365    HA   LYS  52           HA       LYS  52  13.270 -11.183 -11.183
  366   1HB   LYS  52          2HB       LYS  52  11.880  -8.755  -8.755
  367   2HB   LYS  52          1HB       LYS  52  10.735 -10.038 -10.038
  368   1HG   LYS  52          2HG       LYS  52  11.303 -11.256 -11.256
  369   2HG   LYS  52          1HG       LYS  52  13.027 -10.978 -10.978
  370   1HD   LYS  52          2HD       LYS  52  13.034  -9.017  -9.017
  371   2HD   LYS  52          1HD       LYS  52  11.323  -8.704  -8.704
  372   1HE   LYS  52          2HE       LYS  52  10.791  -9.723  -9.723
  373   2HE   LYS  52          1HE       LYS  52  11.593 -11.210 -11.210
  374   1HZ   LYS  52          1HZ       LYS  52  13.035  -8.838  -8.838
  375   2HZ   LYS  52          3HZ       LYS  52  12.634 -10.189 -10.189
  376   3HZ   LYS  52          2HZ       LYS  52  13.698 -10.357 -10.357
  377    HA   PRO  53           HA       PRO  53  11.755 -11.565 -11.565
  378   1HB   PRO  53          2HB       PRO  53  12.128 -14.276 -14.276
  379   2HB   PRO  53          1HB       PRO  53  13.419 -13.092 -13.092
  380   1HG   PRO  53          2HG       PRO  53  12.768 -14.591 -14.591
  381   2HG   PRO  53          1HG       PRO  53  14.345 -14.301 -14.301
  382   1HD   PRO  53          2HD       PRO  53  13.526 -12.843 -12.843
  383   2HD   PRO  53          1HD       PRO  53  14.466 -12.120 -12.120
  384    H    TYR  54           H        TYR  54  10.319 -12.349 -12.349
  385    HA   TYR  54           HA       TYR  54   8.018 -13.677 -13.677
  386   1HB   TYR  54          2HB       TYR  54   7.672 -14.224 -14.224
  387   2HB   TYR  54          1HB       TYR  54   8.466 -15.304 -15.304
  388    HD1  TYR  54           HD1      TYR  54  11.017 -14.927 -14.927
  389    HD2  TYR  54           HD2      TYR  54   8.843 -13.449 -13.449
  390    HE1  TYR  54           HE1      TYR  54  13.135 -14.706 -14.706
  391    HE2  TYR  54           HE2      TYR  54  10.966 -13.234 -13.234
  392    HH   TYR  54           HH       TYR  54  13.169 -13.893 -13.893
  393    H    GLU  55           H        GLU  55   9.013 -10.792 -10.792
  394    HA   GLU  55           HA       GLU  55   6.260 -10.099 -10.099
  395   1HB   GLU  55          2HB       GLU  55   9.055  -9.256  -9.256
  396   2HB   GLU  55          1HB       GLU  55   7.754  -8.088  -8.088
  397   1HG   GLU  55          2HG       GLU  55   6.622  -9.485  -9.485
  398   2HG   GLU  55          1HG       GLU  55   7.558 -10.904 -10.904
  399    H    GLU  56           H        GLU  56   6.034  -7.501  -7.501
  400    HA   GLU  56           HA       GLU  56   7.040  -6.696  -6.696
  401   1HB   GLU  56          2HB       GLU  56   4.201  -7.322  -7.322
  402   2HB   GLU  56          1HB       GLU  56   4.524  -6.149  -6.149
  403   1HG   GLU  56          2HG       GLU  56   6.180  -8.145  -8.145
  404   2HG   GLU  56          1HG       GLU  56   4.915  -9.090  -9.090
  405    H    VAL  57           H        VAL  57   7.922  -4.728  -4.728
  406    HA   VAL  57           HA       VAL  57   6.203  -2.857  -2.857
  407    HB   VAL  57           HB       VAL  57   8.017  -3.496  -3.496
  408   1HG1  VAL  57          3HG1      VAL  57   9.776  -3.186  -3.186
  409   2HG1  VAL  57          2HG1      VAL  57  10.352  -3.592  -3.592
  410   3HG1  VAL  57          1HG1      VAL  57   9.298  -4.709  -4.709
  411   1HG2  VAL  57          2HG2      VAL  57   8.857  -1.003  -1.003
  412   2HG2  VAL  57          1HG2      VAL  57   7.788  -1.058  -1.058
  413   3HG2  VAL  57          3HG2      VAL  57   9.490  -1.486  -1.486
  414    H    THR  58           H        THR  58   6.740  -0.517  -0.517
  415    HA   THR  58           HA       THR  58   7.903  -0.086  -0.086
  416    HB   THR  58           HB       THR  58   5.285   1.170   1.170
  417    HG1  THR  58           HG1      THR  58   5.009  -1.063  -1.063
  418   1HG2  THR  58          2HG2      THR  58   6.994   1.124   1.124
  419   2HG2  THR  58          1HG2      THR  58   5.446   0.395   0.395
  420   3HG2  THR  58          3HG2      THR  58   5.498   2.028   2.028
  421    H    CYS  59           H        CYS  59   7.422   2.604   2.604
  422    HA   CYS  59           HA       CYS  59   8.288   3.833   3.833
  423   1HB   CYS  59          2HB       CYS  59   9.792   3.445   3.445
  424   2HB   CYS  59          1HB       CYS  59   9.724   5.137   5.137
  425    H    CYS  60           H        CYS  60   8.655   6.309   6.309
  426    HA   CYS  60           HA       CYS  60   6.812   7.381   7.381
  427   1HB   CYS  60          2HB       CYS  60   4.992   7.234   7.234
  428   2HB   CYS  60          1HB       CYS  60   5.989   6.895   6.895
  429    H    SER  61           H        SER  61   7.093   9.668   9.668
  430    HA   SER  61           HA       SER  61   9.166  10.897  10.897
  431   1HB   SER  61          2HB       SER  61  10.443  11.458  11.458
  432   2HB   SER  61          1HB       SER  61   9.674  10.013  10.013
  433    HG   SER  61           HG       SER  61   8.021  11.449  11.449
  434    H    THR  62           H        THR  62   5.991  11.055  11.055
  435    HA   THR  62           HA       THR  62   5.970  14.059  14.059
  436    HB   THR  62           HB       THR  62   3.694  12.729  12.729
  437    HG1  THR  62           HG1      THR  62   4.764  11.706  11.706
  438   1HG2  THR  62          1HG2      THR  62   4.579  15.237  15.237
  439   2HG2  THR  62          3HG2      THR  62   5.503  14.709  14.709
  440   3HG2  THR  62          2HG2      THR  62   3.742  14.615  14.615
  441    H    ASP  63           H        ASP  63   3.558  14.742  14.742
  442    HA   ASP  63           HA       ASP  63   2.976  13.477  13.477
  443   1HB   ASP  63          2HB       ASP  63   1.660  15.736  15.736
  444   2HB   ASP  63          1HB       ASP  63   1.404  15.375  15.375
  445    H    LYS  64           H        LYS  64   0.693  12.813  12.813
  446    HA   LYS  64           HA       LYS  64  -1.031  11.238  11.238
  447   1HB   LYS  64          2HB       LYS  64  -1.282  13.374  13.374
  448   2HB   LYS  64          1HB       LYS  64  -2.559  12.219  12.219
  449   1HG   LYS  64          2HG       LYS  64  -2.939  13.141  13.141
  450   2HG   LYS  64          1HG       LYS  64  -1.332  13.862  13.862
  451   1HD   LYS  64          2HD       LYS  64  -1.993  15.419  15.419
  452   2HD   LYS  64          1HD       LYS  64  -3.629  14.764  14.764
  453   1HE   LYS  64          2HE       LYS  64  -3.937  16.485  16.485
  454   2HE   LYS  64          1HE       LYS  64  -3.171  15.359  15.359
  455   1HZ   LYS  64          3HZ       LYS  64  -0.995  16.236  16.236
  456   2HZ   LYS  64          2HZ       LYS  64  -1.827  17.433  17.433
  457   3HZ   LYS  64          1HZ       LYS  64  -1.935  17.385  17.385
  458    H    CYS  65           H        CYS  65   1.559  10.704  10.704
  459    HA   CYS  65           HA       CYS  65   1.077   9.644   9.644
  460   1HB   CYS  65          2HB       CYS  65   3.479   9.149   9.149
  461   2HB   CYS  65          1HB       CYS  65   3.131  10.806  10.806
  462    H    ASN  66           H        ASN  66   0.183   8.425   8.425
  463    HA   ASN  66           HA       ASN  66   1.131   5.659   5.659
  464   1HB   ASN  66          2HB       ASN  66   0.742   7.275   7.275
  465   2HB   ASN  66          1HB       ASN  66   0.147   5.621   5.621
  466   1HD2  ASN  66          2HD2      ASN  66   4.012   5.575   5.575
  467   2HD2  ASN  66          1HD2      ASN  66   2.812   6.335   6.335
  468    HA   PRO  67           HA       PRO  67  -3.658   5.792   5.792
  469   1HB   PRO  67          2HB       PRO  67  -4.258   6.262   6.262
  470   2HB   PRO  67          1HB       PRO  67  -4.108   7.564   7.564
  471   1HG   PRO  67          2HG       PRO  67  -2.187   6.678   6.678
  472   2HG   PRO  67          1HG       PRO  67  -2.530   8.305   8.305
  473   1HD   PRO  67          2HD       PRO  67  -0.344   6.797   6.797
  474   2HD   PRO  67          1HD       PRO  67  -1.024   8.126   8.126
  475    H    HIS  68           H        HIS  68  -3.682   3.512   3.512
  476    HA   HIS  68           HA       HIS  68  -2.602   1.844   1.844
  477   1HB   HIS  68          2HB       HIS  68  -3.119   0.026   0.026
  478   2HB   HIS  68          1HB       HIS  68  -2.243   1.317   1.317
  479    HD1  HIS  68           HD1      HIS  68  -5.356  -0.642  -0.642
  480    HD2  HIS  68           HD2      HIS  68  -3.947   2.957   2.957
  481    HE1  HIS  68           HE1      HIS  68  -6.826  -0.090  -0.090
  482    HA   PRO  69           HA       PRO  69  -6.407   0.934   0.934
  483   1HB   PRO  69          2HB       PRO  69  -6.246  -1.759  -1.759
  484   2HB   PRO  69          1HB       PRO  69  -5.274  -0.567  -0.567
  485   1HG   PRO  69          2HG       PRO  69  -4.498  -2.346  -2.346
  486   2HG   PRO  69          1HG       PRO  69  -3.562  -1.836  -1.836
  487   1HD   PRO  69          2HD       PRO  69  -3.262  -0.775  -0.775
  488   2HD   PRO  69          1HD       PRO  69  -2.856   0.087   0.087
  489    H    LYS  70           H        LYS  70  -7.549   1.392   1.392
  490    HA   LYS  70           HA       LYS  70  -8.472  -1.024  -1.024
  491   1HB   LYS  70          2HB       LYS  70  -9.447   1.397   1.397
  492   2HB   LYS  70          1HB       LYS  70  -8.216   0.319   0.319
  493   1HG   LYS  70          2HG       LYS  70  -7.082   2.354   2.354
  494   2HG   LYS  70          1HG       LYS  70  -6.614   1.597   1.597
  495   1HD   LYS  70          2HD       LYS  70  -7.904   3.054   3.054
  496   2HD   LYS  70          1HD       LYS  70  -9.099   3.256   3.256
  497   1HE   LYS  70          2HE       LYS  70  -7.641   4.740   4.740
  498   2HE   LYS  70          1HE       LYS  70  -6.285   4.389   4.389
  499   1HZ   LYS  70          3HZ       LYS  70  -8.887   5.526   5.526
  500   2HZ   LYS  70          2HZ       LYS  70  -7.491   6.452   6.452
  501   3HZ   LYS  70          1HZ       LYS  70  -7.509   5.294   5.294
  502    H    GLN  71           H        GLN  71  -9.809   2.071   2.071
  503    HA   GLN  71           HA       GLN  71 -12.535   1.044   1.044
  504   1HB   GLN  71          2HB       GLN  71 -11.137   3.561   3.561
  505   2HB   GLN  71          1HB       GLN  71 -12.871   3.341   3.341
  506   1HG   GLN  71          2HG       GLN  71 -13.301   3.714   3.714
  507   2HG   GLN  71          1HG       GLN  71 -11.981   2.666   2.666
  508   1HE2  GLN  71          2HE2      GLN  71 -10.000   5.424   5.424
  509   2HE2  GLN  71          1HE2      GLN  71 -10.475   3.828   3.828
  510    H    ARG  72           H        ARG  72 -10.845  -0.563  -0.563
  511    HA   ARG  72           HA       ARG  72 -12.442  -0.553  -0.553
  512   1HB   ARG  72          2HB       ARG  72 -10.889   1.479   1.479
  513   2HB   ARG  72          1HB       ARG  72  -9.561   0.326   0.326
  514   1HG   ARG  72          2HG       ARG  72  -9.996   0.170   0.170
  515   2HG   ARG  72          1HG       ARG  72 -11.536  -0.587  -0.587
  516   1HD   ARG  72          2HD       ARG  72 -12.606   1.641   1.641
  517   2HD   ARG  72          1HD       ARG  72 -11.060   2.403   2.403
  518    HE   ARG  72           HE       ARG  72 -12.659   0.658   0.658
  519   1HH1  ARG  72          1HH2      ARG  72  -9.589   2.005   2.005
  520   2HH1  ARG  72          2HH2      ARG  72  -9.314   2.508   2.508
  521   1HH2  ARG  72          2HH1      ARG  72 -12.480   1.607   1.607
  522   2HH2  ARG  72          1HH1      ARG  72 -10.951   2.284   2.284
  523    HA   PRO  73           HA       PRO  73 -10.372  -4.512  -4.512
  524   1HB   PRO  73          2HB       PRO  73 -12.455  -6.047  -6.047
  525   2HB   PRO  73          1HB       PRO  73 -12.385  -5.369  -5.369
  526   1HG   PRO  73          2HG       PRO  73 -13.905  -4.424  -4.424
  527   2HG   PRO  73          1HG       PRO  73 -14.374  -4.444  -4.444
  528   1HD   PRO  73          2HD       PRO  73 -13.516  -2.205  -2.205
  529   2HD   PRO  73          1HD       PRO  73 -13.352  -2.447  -2.447
  530    H    GLY  74           HN       GLY  74  -8.823  -4.346  -4.346
  531   1HA   GLY  74          2HA       GLY  74  -9.817  -5.106  -5.106
  532   2HA   GLY  74          1HA       GLY  74  -8.435  -4.039  -4.039
  533   1H    MET   1          2H        MET  75 -13.086  -3.437  -3.437
  534   2H    MET   1          1H        MET  75 -12.683  -3.774  -3.774
  535   3H    MET   1          3H        MET  75 -14.021  -2.793  -2.793
  536    HA   MET   1           HA       MET  75 -12.621  -1.047  -1.047
  537   1HB   MET   1          2HB       MET  75 -13.091  -1.197  -1.197
  538   2HB   MET   1          1HB       MET  75 -11.718  -2.283  -2.283
  539   1HG   MET   1          2HG       MET  75 -10.487  -0.430  -0.430
  540   2HG   MET   1          1HG       MET  75 -10.616  -0.102  -0.102
  541   1HE   MET   1          1HE       MET  75 -10.826   1.990   1.990
  542   2HE   MET   1          3HE       MET  75 -11.660   3.329   3.329
  543   3HE   MET   1          2HE       MET  75 -10.225   2.617   2.617
  544    H    ARG   2           H        ARG  76 -11.535  -2.977  -2.977
  545    HA   ARG   2           HA       ARG  76  -8.605  -2.938  -2.938
  546   1HB   ARG   2          2HB       ARG  76 -10.443  -4.879  -4.879
  547   2HB   ARG   2          1HB       ARG  76  -8.736  -4.858  -4.858
  548   1HG   ARG   2          2HG       ARG  76  -9.817  -5.216  -5.216
  549   2HG   ARG   2          1HG       ARG  76  -9.131  -6.487  -6.487
  550   1HD   ARG   2          2HD       ARG  76  -7.062  -4.821  -4.821
  551   2HD   ARG   2          1HD       ARG  76  -7.740  -4.230  -4.230
  552    HE   ARG   2           HE       ARG  76  -7.526  -7.162  -7.162
  553   1HH1  ARG   2          2HH1      ARG  76  -5.293  -4.697  -4.697
  554   2HH1  ARG   2          1HH1      ARG  76  -4.685  -5.203  -5.203
  555   1HH2  ARG   2          1HH2      ARG  76  -7.138  -7.607  -7.607
  556   2HH2  ARG   2          2HH2      ARG  76  -5.730  -6.849  -6.849
  557    H    TYR   3           H        TYR  77  -7.242  -2.006  -2.006
  558    HA   TYR   3           HA       TYR  77  -8.475  -0.861  -0.861
  559   1HB   TYR   3          2HB       TYR  77  -5.641  -0.288  -0.288
  560   2HB   TYR   3          1HB       TYR  77  -6.953   0.845   0.845
  561    HD1  TYR   3           HD1      TYR  77  -8.441   1.575   1.575
  562    HD2  TYR   3           HD2      TYR  77  -4.993  -0.909  -0.909
  563    HE1  TYR   3           HE1      TYR  77  -8.518   2.081   2.081
  564    HE2  TYR   3           HE2      TYR  77  -5.068  -0.403  -0.403
  565    HH   TYR   3           HH       TYR  77  -6.013   0.870   0.870
  566    H    TYR   4           H        TYR  78  -8.225  -3.557  -3.557
  567    HA   TYR   4           HA       TYR  78  -5.764  -4.667  -4.667
  568   1HB   TYR   4          2HB       TYR  78  -8.621  -5.365  -5.365
  569   2HB   TYR   4          1HB       TYR  78  -7.774  -6.319  -6.319
  570    HD1  TYR   4           HD1      TYR  78  -6.929  -4.901  -4.901
  571    HD2  TYR   4           HD2      TYR  78  -6.969  -8.325  -8.325
  572    HE1  TYR   4           HE1      TYR  78  -5.903  -6.268  -6.268
  573    HE2  TYR   4           HE2      TYR  78  -5.943  -9.686  -9.686
  574    HH   TYR   4           HH       TYR  78  -5.132  -8.253  -8.253
  575    H    GLU   5           H        GLU  79  -6.489  -6.111  -6.111
  576    HA   GLU   5           HA       GLU  79  -6.310  -4.096  -4.096
  577   1HB   GLU   5          2HB       GLU  79  -5.761  -6.083  -6.083
  578   2HB   GLU   5          1HB       GLU  79  -4.811  -6.070  -6.070
  579   1HG   GLU   5          2HG       GLU  79  -5.656  -8.074  -8.074
  580   2HG   GLU   5          1HG       GLU  79  -7.285  -7.397  -7.397
  581    H    SER   6           H        SER  80  -8.702  -3.455  -3.455
  582    HA   SER   6           HA       SER  80 -10.417  -4.493  -4.493
  583   1HB   SER   6          2HB       SER  80 -11.964  -5.644  -5.644
  584   2HB   SER   6          1HB       SER  80 -10.646  -6.523  -6.523
  585    HG   SER   6           HG       SER  80 -10.973  -5.875  -5.875
  586    H    SER   7           H        SER  81 -10.015  -2.537  -2.537
  587    HA   SER   7           HA       SER  81 -11.879  -0.556  -0.556
  588   1HB   SER   7          2HB       SER  81 -13.012  -2.953  -2.953
  589   2HB   SER   7          1HB       SER  81 -13.588  -1.427  -1.427
  590    HG   SER   7           HG       SER  81 -14.885  -1.651  -1.651
  591    H    LEU   8           H        LEU  82 -12.641   0.869   0.869
  592    HA   LEU   8           HA       LEU  82 -10.747   0.799   0.799
  593   1HB   LEU   8          2HB       LEU  82 -11.050   2.650   2.650
  594   2HB   LEU   8          1HB       LEU  82 -11.329   3.473   3.473
  595    HG   LEU   8           HG       LEU  82  -9.158   3.066   3.066
  596   1HD1  LEU   8          2HD1      LEU  82  -9.243   0.750   0.750
  597   2HD1  LEU   8          1HD1      LEU  82  -7.703   1.354   1.354
  598   3HD1  LEU   8          3HD1      LEU  82  -8.912   0.746   0.746
  599   1HD2  LEU   8          1HD2      LEU  82  -9.150   4.544   4.544
  600   2HD2  LEU   8          3HD2      LEU  82  -7.647   3.626   3.626
  601   3HD2  LEU   8          2HD2      LEU  82  -8.882   3.133   3.133
  602    H    LYS   9           H        LYS  83 -13.862   0.607   0.607
  603    HA   LYS   9           HA       LYS  83 -14.957   2.462   2.462
  604   1HB   LYS   9          2HB       LYS  83 -17.009   0.838   0.838
  605   2HB   LYS   9          1HB       LYS  83 -16.692   2.534   2.534
  606   1HG   LYS   9          2HG       LYS  83 -15.154   1.919   1.919
  607   2HG   LYS   9          1HG       LYS  83 -15.375   0.211   0.211
  608   1HD   LYS   9          2HD       LYS  83 -17.293   2.123   2.123
  609   2HD   LYS   9          1HD       LYS  83 -16.863   0.480   0.480
  610   1HE   LYS   9          2HE       LYS  83 -18.492   1.188   1.188
  611   2HE   LYS   9          1HE       LYS  83 -19.164   0.576   0.576
  612   1HZ   LYS   9          2HZ       LYS  83 -16.894  -0.887  -0.887
  613   2HZ   LYS   9          1HZ       LYS  83 -18.342  -1.026  -1.026
  614   3HZ   LYS   9          3HZ       LYS  83 -18.298  -1.468  -1.468
  615    H    SER  10           H        SER  84 -13.407   0.358   0.358
  616    HA   SER  10           HA       SER  84 -13.556  -1.514  -1.514
  617   1HB   SER  10          2HB       SER  84 -14.380  -0.333  -0.333
  618   2HB   SER  10          1HB       SER  84 -15.309   0.693   0.693
  619    HG   SER  10           HG       SER  84 -16.163  -1.256  -1.256
  620    H    TYR  11           H        TYR  85 -13.997  -3.370  -3.370
  621    HA   TYR  11           HA       TYR  85 -16.556  -3.892  -3.892
  622   1HB   TYR  11          2HB       TYR  85 -14.745  -6.132  -6.132
  623   2HB   TYR  11          1HB       TYR  85 -15.548  -5.850  -5.850
  624    HD1  TYR  11           HD1      TYR  85 -14.661  -2.973  -2.973
  625    HD2  TYR  11           HD2      TYR  85 -12.510  -6.461  -6.461
  626    HE1  TYR  11           HE1      TYR  85 -12.546  -2.016  -2.016
  627    HE2  TYR  11           HE2      TYR  85 -10.408  -5.500  -5.500
  628    HH   TYR  11           HH       TYR  85  -9.956  -3.618  -3.618
  629    HA   PRO  12           HA       PRO  86 -18.763  -5.243  -5.243
  630   1HB   PRO  12          2HB       PRO  86 -20.817  -6.510  -6.510
  631   2HB   PRO  12          1HB       PRO  86 -20.682  -4.743  -4.743
  632   1HG   PRO  12          2HG       PRO  86 -19.998  -6.578  -6.578
  633   2HG   PRO  12          1HG       PRO  86 -20.733  -4.968  -4.968
  634   1HD   PRO  12          2HD       PRO  86 -18.101  -5.448  -5.448
  635   2HD   PRO  12          1HD       PRO  86 -18.712  -3.901  -3.901
  636    H    ASP  13           HN       ASP  87 -17.258  -7.281  -7.281
  637    HA   ASP  13           HA       ASP  87 -17.258  -9.529  -9.529
  638   1HB   ASP  13          2HB       ASP  87 -18.853  -9.350  -9.350
  639   2HB   ASP  13          1HB       ASP  87 -17.859 -10.805 -10.805