*HEADER    CALCIUM BINDING                         10-JUL-98   1EH2      
*TITLE     STRUCTURE OF THE SECOND EPS15 HOMOLOGY DOMAIN OF HUMAN        
*TITLE    2 EPS15, NMR, 20 STRUCTURES                                    
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: EPS15;                                             
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 FRAGMENT: EPS15 HOMOLOGY (EH) DOMAIN 2, RESIDUES 121-218;    
*COMPND   5 SYNONYM: EH2, EPIDERMAL GROWTH FACTOR RECEPTOR SUBSTRATE     
*COMPND   6 15;                                                          
*COMPND   7 ENGINEERED: YES;                                             
*COMPND   8 OTHER_DETAILS: THIS DOMAIN CONTAINS A CALCIUM BINDING SITE   
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                           
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                      
*SOURCE   4 GENE: EPS15;                                                 
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                         
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: B834 (DE3) PLYSS AND BL21 (DE3)    
*SOURCE   7 PLYSS;                                                       
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PRSETA                            
*KEYWDS    CALCIUM BINDING, SIGNALING DOMAIN, NPF BINDING, EF-HAND, EH   
*KEYWDS   2 DOMAIN                                                       
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    T.DE BEER,R.E.CARTER,K.E.LOBEL-RICE,A.SORKIN,M.OVERDUIN       
*REVDAT   1   12-OCT-04 1EH2    0   

!! EH2 NOE DERIVED DISTANCE RESTRAINTS FOR XPLOR INPUT
assign (resid   7 and name HN   )(resid 7 and name HA   )       0.0 0.0 3.5
assign (resid   7 and name HN   )(resid 7 and name HB#  )       0.0 0.0 3.1
assign (resid   7 and name HN   )(resid 7 and name HD1  )       0.0 0.0 5
assign (resid   7 and name HN   )(resid 7 and name HE3  )       0.0 0.0 5
assign (resid   7 and name HA   )(resid 7 and name HB#  )       0.0 0.0 3.1
assign (resid   7 and name HA   )(resid 7 and name HD1  )       0.0 0.0 2.7
assign (resid   7 and name HB#  )(resid 7 and name HD1  )       0.0 0.0 3.1
assign (resid   7 and name HB#  )(resid 7 and name HE1  )       0.0 0.0 5
assign (resid   7 and name HB#  )(resid 7 and name HE3  )       0.0 0.0 3.1
assign (resid   7 and name HD1  )(resid 7 and name HE1  )       0.0 0.0 2.7
assign (resid   7 and name HE1  )(resid 7 and name HZ2  )       0.0 0.0 3.5
assign (resid   8 and name HN   )(resid 8 and name HA   )       0.0 0.0 3.5
assign (resid   8 and name HN   )(resid 8 and name HB#  )       0.0 0.0 2.7
assign (resid   8 and name HA   )(resid 8 and name HB#  )       0.0 0.0 2.7
assign (resid   9 and name HN   )(resid 9 and name HA   )       0.0 0.0 3.5
assign (resid   9 and name HN   )(resid 9 and name HB   )       0.0 0.0 3.5
assign (resid   9 and name HN   )(resid 9 and name HG1# )       0.0 0.0 5
assign (resid   9 and name HN   )(resid 9 and name HG2# )       0.0 0.0 3.5
assign (resid   9 and name HA   )(resid 9 and name HB   )       0.0 0.0 5
assign (resid   9 and name HA   )(resid 9 and name HG1# )       0.0 0.0 2.7
assign (resid   9 and name HA   )(resid 9 and name HG2# )       0.0 0.0 2.7
assign (resid   9 and name HB   )(resid 9 and name HG1# )       0.0 0.0 2.7
assign (resid   9 and name HB   )(resid 9 and name HG2# )       0.0 0.0 2.7
assign (resid   10 and name HN  )(resid 10 and name HA  )       0.0 0.0 3.5
assign (resid   10 and name HN  )(resid 10 and name HB# )       0.0 0.0 3.1
assign (resid   10 and name HN  )(resid 10 and name HG# )       0.0 0.0 5
assign (resid   10 and name HA  )(resid 10 and name HB# )       0.0 0.0 3.1
assign (resid   10 and name HA  )(resid 10 and name HG# )       0.0 0.0 4.4
assign (resid   10 and name HA  )(resid 10 and name HD# )       0.0 0.0 4.4
assign (resid   12 and name HN  )(resid 12 and name HA  )       0.0 0.0 3.5
assign (resid   12 and name HN  )(resid 12 and name HB# )       0.0 0.0 2.7
assign (resid   12 and name HN  )(resid 12 and name HG# )       0.0 0.0 3.5
assign (resid   12 and name HA  )(resid 12 and name HB# )       0.0 0.0 2.7
assign (resid   12 and name HA  )(resid 12 and name HG# )       0.0 0.0 3.5
assign (resid   12 and name HB# )(resid 12 and name HG# )       0.0 0.0 2.7
assign (resid   13 and name HN  )(resid 13 and name HA  )       0.0 0.0 3.5
assign (resid   13 and name HN  )(resid 13 and name HB# )       0.0 0.0 2.7
assign (resid   13 and name HA  )(resid 13 and name HB# )       0.0 0.0 3.1
assign (resid   14 and name HN  )(resid 14 and name HA  )       0.0 0.0 3.5
assign (resid   14 and name HN  )(resid 14 and name HB# )       0.0 0.0 3.1
assign (resid   14 and name HN  )(resid 14 and name HG# )       0.0 0.0 4.4
assign (resid   14 and name HA  )(resid 14 and name HB# )       0.0 0.0 3.1
assign (resid   14 and name HA  )(resid 14 and name HG# )       0.0 0.0 4.4
assign (resid   15 and name HN  )(resid 15 and name HA  )       0.0 0.0 3.5
assign (resid   15 and name HN  )(resid 15 and name HB# )       0.0 0.0 2.7
assign (resid   15 and name HA  )(resid 15 and name HB# )       0.0 0.0 2.7
assign (resid   16 and name HN  )(resid 16 and name HA  )       0.0 0.0 3.5
assign (resid   16 and name HN  )(resid 16 and name HB# )       0.0 0.0 3.5
assign (resid   16 and name HN  )(resid 16 and name HG# )       0.0 0.0 3.1
assign (resid   16 and name HA  )(resid 16 and name HG# )       0.0 0.0 3.1
assign (resid   17 and name HN  )(resid 17 and name HB# )       0.0 0.0 4.4
assign (resid   17 and name HN  )(resid 17 and name HD# )       0.0 0.0 3.5
assign (resid   17 and name HN  )(resid 17 and name HE# )       0.0 0.0 5
assign (resid   17 and name HA  )(resid 17 and name HB# )       0.0 0.0 3.1
assign (resid   17 and name HA  )(resid 17 and name HD# )       0.0 0.0 2.7
assign (resid   18 and name HN  )(resid 18 and name HA  )       0.0 0.0 3.5
assign (resid   18 and name HN  )(resid 18 and name HB# )       0.0 0.0 3.1
assign (resid   19 and name HN  )(resid 19 and name HA  )       0.0 0.0 3.5
assign (resid   19 and name HN  )(resid 19 and name HB# )       0.0 0.0 2.7
assign (resid   19 and name HA  )(resid 19 and name HB# )       0.0 0.0 2.7
assign (resid   20 and name HN  )(resid 20 and name HA  )       0.0 0.0 3.5
assign (resid   20 and name HN  )(resid 20 and name HB  )       0.0 0.0 2.7
assign (resid   20 and name HN  )(resid 20 and name HG1#        )       0.0 0.0 3.5
assign (resid   20 and name HN  )(resid 20 and name HG2#        )       0.0 0.0 3.5
assign (resid   20 and name HA  )(resid 20 and name HB  )       0.0 0.0 3.5
assign (resid   21 and name HN  )(resid 21 and name HA  )       0.0 0.0 3.5
assign (resid   21 and name HN  )(resid 21 and name HB# )       0.0 0.0 4.4
assign (resid   21 and name HN  )(resid 21 and name HD# )       0.0 0.0 5
assign (resid   21 and name HA  )(resid 21 and name HB# )       0.0 0.0 2.7
assign (resid   22 and name HN  )(resid 22 and name HA  )       0.0 0.0 3.5
assign (resid   22 and name HN  )(resid 22 and name HB# )       0.0 0.0 2.7
assign (resid   22 and name HA  )(resid 22 and name HB# )       0.0 0.0 2.7
assign (resid   23 and name HN  )(resid 23 and name HA  )       0.0 0.0 3.5
assign (resid   23 and name HN  )(resid 23 and name HB# )       0.0 0.0 3.5
assign (resid   23 and name HA  )(resid 23 and name HB# )       0.0 0.0 2.7
assign (resid   24 and name HN  )(resid 24 and name HA  )       0.0 0.0 3.5
assign (resid   24 and name HN  )(resid 24 and name HB# )       0.0 0.0 3.1
assign (resid   24 and name HN  )(resid 24 and name HG  )       0.0 0.0 3.5
assign (resid   24 and name HN  )(resid 24 and name HD##        )       0.0 0.0 3.5
assign (resid   24 and name HA  )(resid 24 and name HD2#        )       0.0 0.0 2.7
assign (resid   25 and name HN  )(resid 25 and name HA  )       0.0 0.0 3.5
assign (resid   25 and name HN  )(resid 25 and name HB# )       0.0 0.0 3.5
assign (resid   25 and name HA  )(resid 25 and name HB# )       0.0 0.0 2.7
assign (resid   26 and name HA  )(resid 26 and name HB# )       0.0 0.0 2.4
assign (resid   26 and name HA  )(resid 26 and name HG# )       0.0 0.0 3.5
assign (resid   26 and name HA  )(resid 26 and name HD# )       0.0 0.0 4.4
assign (resid   27 and name HN  )(resid 27 and name HA  )       0.0 0.0 3.5
assign (resid   27 and name HN  )(resid 27 and name HB  )       0.0 0.0 2.7
assign (resid   27 and name HN  )(resid 27 and name HG##        )       0.0 0.0 3.5
assign (resid   27 and name HA  )(resid 27 and name HB  )       0.0 0.0 3.5
assign (resid   27 and name HA  )(resid 27 and name HG##        )       0.0 0.0 2.7
assign (resid   28 and name HA  )(resid 28 and name HB# )       0.0 0.0 2.4
assign (resid   29 and name HN  )(resid 29 and name HA# )       0.0 0.0 3.1
assign (resid   30 and name HN  )(resid 30 and name HD# )       0.0 0.0 3.5
assign (resid   30 and name HN  )(resid 30 and name HE# )       0.0 0.0 5
assign (resid   30 and name HN  )(resid 30 and name HA  )       0.0 0.0 3.5
assign (resid   30 and name HN  )(resid 30 and name HB# )       0.0 0.0 2.7
assign (resid   30 and name HA  )(resid 30 and name HB# )       0.0 0.0 2.7
assign (resid   30 and name HA  )(resid 30 and name HD# )       0.0 0.0 2.7
assign (resid   30 and name HB# )(resid 30 and name HD# )       0.0 0.0 2.7
assign (resid   31 and name HN  )(resid 31 and name HB# )       0.0 0.0 3.1
assign (resid   31 and name HN  )(resid 31 and name HG  )       0.0 0.0 3.5
assign (resid   31 and name HN  )(resid 31 and name HD##        )       0.0 0.0 5
assign (resid   31 and name HA  )(resid 31 and name HD2#        )       0.0 0.0 2.7
assign (resid   32 and name HN  )(resid 32 and name HA  )       0.0 0.0 3.5
assign (resid   32 and name HN  )(resid 32 and name HB# )       0.0 0.0 3.1
assign (resid   32 and name HA  )(resid 32 and name HB# )       0.0 0.0 2.4
assign (resid   33 and name HN  )(resid 33 and name HA# )       0.0 0.0 2.7
assign (resid   34 and name HN  )(resid 34 and name HA  )       0.0 0.0 3.5
assign (resid   34 and name HN  )(resid 34 and name HB# )       0.0 0.0 3.1
assign (resid   34 and name HA  )(resid 34 and name HB# )       0.0 0.0 2.4
assign (resid   35 and name HN  )(resid 35 and name HA  )       0.0 0.0 3.5
assign (resid   35 and name HN  )(resid 35 and name HB# )       0.0 0.0 3.1
assign (resid   36 and name HN  )(resid 36 and name HA  )       0.0 0.0 3.5
assign (resid   36 and name HN  )(resid 36 and name HB  )       0.0 0.0 3.5
assign (resid   36 and name HN  )(resid 36 and name HG##        )       0.0 0.0 2.7
assign (resid   36 and name HA  )(resid 36 and name HB  )       0.0 0.0 3.5
assign (resid   36 and name HA  )(resid 36 and name HG2#        )       0.0 0.0 2.7
assign (resid   36 and name HA  )(resid 36 and name HG1#        )       0.0 0.0 2.7
assign (resid   37 and name HN  )(resid 37 and name HA  )       0.0 0.0 3.5
assign (resid   37 and name HN  )(resid 37 and name HB# )       0.0 0.0 3.5
assign (resid   39 and name HN  )(resid 39 and name HA  )       0.0 0.0 3.5
assign (resid   39 and name HN  )(resid 39 and name HB  )       0.0 0.0 3.5
assign (resid   39 and name HN  )(resid 39 and name HG2#        )       0.0 0.0 3.5
assign (resid   39 and name HA  )(resid 39 and name HG2#        )       0.0 0.0 2.7
assign (resid   39 and name HA  )(resid 39 and name HG1#        )       0.0 0.0 2.7
assign (resid   40 and name HN  )(resid 40 and name HA  )       0.0 0.0 3.5
assign (resid   40 and name HA  )(resid 40 and name HB# )       0.0 0.0 3.1
assign (resid   40 and name HA  )(resid 40 and name HD2#        )       0.0 0.0 2.7
assign (resid   41 and name HN  )(resid 41 and name HA  )       0.0 0.0 3.5
assign (resid   41 and name HA  )(resid 41 and name HB# )       0.0 0.0 2.4
assign (resid   41 and name HA  )(resid 41 and name HD2#        )       0.0 0.0 2.7
assign (resid   42 and name HN  )(resid 42 and name HA  )       0.0 0.0 3.5
assign (resid   42 and name HA  )(resid 42 and name HB# )       0.0 0.0 2.7
assign (resid   42 and name HN  )(resid 42 and name HB# )       0.0 0.0 2.7
assign (resid   42 and name HA  )(resid 42 and name HD2#        )       0.0 0.0 4.4
assign (resid   42 and name HB# )(resid 42 and name HD2#        )       0.0 0.0 3.1
assign (resid   43 and name HN  )(resid 43 and name HA  )       0.0 0.0 3.5
assign (resid   43 and name HN  )(resid 43 and name HB# )       0.0 0.0 3.5
assign (resid   43 and name HA  )(resid 43 and name HB# )       0.0 0.0 2.4
assign (resid   44 and name HN  )(resid 44 and name HA  )       0.0 0.0 3.5
assign (resid   44 and name HN  )(resid 44 and name HB# )       0.0 0.0 3.1
assign (resid   45 and name HN  )(resid 45 and name HA  )       0.0 0.0 3.5
assign (resid   45 and name HN  )(resid 45 and name HB# )       0.0 0.0 3.1
assign (resid   45 and name HA  )(resid 45 and name HD1#        )       0.0 0.0 5
assign (resid   45 and name HA  )(resid 45 and name HD2#        )       0.0 0.0 2.7
assign (resid   47 and name HN  )(resid 47 and name HA  )       0.0 0.0 3.5
assign (resid   47 and name HN  )(resid 47 and name HB  )       0.0 0.0 2.7
assign (resid   47 and name HN  )(resid 47 and name HG##        )       0.0 0.0 2.7
assign (resid   47 and name HA  )(resid 47 and name HB  )       0.0 0.0 3.5
assign (resid   47 and name HA  )(resid 47 and name HG##        )       0.0 0.0 2.7
assign (resid   48 and name HN  )(resid 48 and name HA  )       0.0 0.0 3.5
assign (resid   48 and name HN  )(resid 48 and name HB# )       0.0 0.0 3.1
assign (resid   48 and name HA  )(resid 48 and name HB# )       0.0 0.0 2.4
assign (resid   49 and name HN  )(resid 49 and name HA  )       0.0 0.0 3.5
assign (resid   49 and name HN  )(resid 49 and name HB  )       0.0 0.0 2.7
assign (resid   49 and name HN  )(resid 49 and name HG1#        )       0.0 0.0 3.1
assign (resid   49 and name HA  )(resid 49 and name HB  )       0.0 0.0 3.5
assign (resid   49 and name HA  )(resid 49 and name HG2#        )       0.0 0.0 2.7
assign (resid   49 and name HA  )(resid 49 and name HD1#        )       0.0 0.0 2.7
assign (resid   50 and name HN  )(resid 50 and name HA  )       0.0 0.0 3.5
assign (resid   50 and name HN  )(resid 50 and name HB# )       0.0 0.0 3.1
assign (resid   51 and name HN  )(resid 51 and name HA# )       0.0 0.0 2.7
assign (resid   52 and name HN  )(resid 52 and name HA  )       0.0 0.0 3.5
assign (resid   52 and name HN  )(resid 52 and name HB# )       0.0 0.0 2.7
assign (resid   52 and name HA  )(resid 52 and name HB# )       0.0 0.0 2.7
assign (resid   52 and name HA  )(resid 52 and name HG# )       0.0 0.0 2.7
assign (resid   53 and name HN  )(resid 53 and name HA  )       0.0 0.0 3.5
assign (resid   53 and name HN  )(resid 53 and name HB  )       0.0 0.0 3.5
assign (resid   53 and name HN  )(resid 53 and name HG##        )       0.0 0.0 3.5
assign (resid   53 and name HA  )(resid 53 and name HG2#        )       0.0 0.0 2.7
assign (resid   53 and name HA  )(resid 53 and name HG1#        )       0.0 0.0 2.7
assign (resid   54 and name HN  )(resid 54 and name HA  )       0.0 0.0 3.5
assign (resid   54 and name HN  )(resid 54 and name HB# )       0.0 0.0 3.1
assign (resid   54 and name HN  )(resid 54 and name HD1 )       0.0 0.0 5
assign (resid   54 and name HA  )(resid 54 and name HB# )       0.0 0.0 2.7
assign (resid   54 and name HA  )(resid 54 and name HD1 )       0.0 0.0 5
assign (resid   54 and name HA  )(resid 54 and name HE3 )       0.0 0.0 3.5
assign (resid   54 and name HB# )(resid 54 and name HD1 )       0.0 0.0 4.4
assign (resid   54 and name HB# )(resid 54 and name HE1 )       0.0 0.0 5
assign (resid   54 and name HB# )(resid 54 and name HE3 )       0.0 0.0 4.4
assign (resid   55 and name HN  )(resid 55 and name HA  )       0.0 0.0 3.5
assign (resid   55 and name HN  )(resid 55 and name HB# )       0.0 0.0 2.7
assign (resid   55 and name HN  )(resid 55 and name HG# )       0.0 0.0 3.1
assign (resid   55 and name HA  )(resid 55 and name HB# )       0.0 0.0 2.4
assign (resid   55 and name HA  )(resid 55 and name HG# )       0.0 0.0 3.1
assign (resid   56 and name HN  )(resid 56 and name HA  )       0.0 0.0 3.5
assign (resid   56 and name HN  )(resid 56 and name HB# )       0.0 0.0 3.1
assign (resid   56 and name HN  )(resid 56 and name HG  )       0.0 0.0 3.5
assign (resid   56 and name HA  )(resid 56 and name HD2#        )       0.0 0.0 2.7
assign (resid   57 and name HN  )(resid 57 and name HA  )       0.0 0.0 3.5
assign (resid   57 and name HN  )(resid 57 and name HB# )       0.0 0.0 3.1
assign (resid   57 and name HA  )(resid 57 and name HB# )       0.0 0.0 2.7
assign (resid   58 and name HN  )(resid 58 and name HA  )       0.0 0.0 3.5
assign (resid   58 and name HN  )(resid 58 and name HB# )       0.0 0.0 3.1
assign (resid   58 and name HA  )(resid 58 and name HB# )       0.0 0.0 2.7
assign (resid   59 and name HN  )(resid 59 and name HA  )       0.0 0.0 3.5
assign (resid   59 and name HN  )(resid 59 and name HB  )       0.0 0.0 3.5
assign (resid   59 and name HN  )(resid 59 and name HG1#        )       0.0 0.0 3.1
assign (resid   59 and name HA  )(resid 59 and name HG2#        )       0.0 0.0 2.7
assign (resid   59 and name HB  )(resid 59 and name HG2#        )       0.0 0.0 2.7
assign (resid   60 and name HN  )(resid 60 and name HA  )       0.0 0.0 3.5
assign (resid   60 and name HN  )(resid 60 and name HB# )       0.0 0.0 3.1
assign (resid   61 and name HN  )(resid 61 and name HA  )       0.0 0.0 2.7
assign (resid   61 and name HN  )(resid 61 and name HB# )       0.0 0.0 3.5
assign (resid   61 and name HN  )(resid 61 and name HD2 )       0.0 0.0 5
assign (resid   61 and name HA  )(resid 61 and name HB# )       0.0 0.0 2.4
assign (resid   61 and name HA  )(resid 61 and name HD2 )       0.0 0.0 5
assign (resid   61 and name HB# )(resid 61 and name HD2 )       0.0 0.0 4.4
assign (resid   62 and name HN  )(resid 62 and name HA  )       0.0 0.0 3.5
assign (resid   62 and name HN  )(resid 62 and name HB# )       0.0 0.0 3.1
assign (resid   62 and name HA  )(resid 62 and name HB# )       0.0 0.0 2.4
assign (resid   63 and name HN  )(resid 63 and name HA# )       0.0 0.0 3.1
assign (resid   64 and name HN  )(resid 64 and name HA  )       0.0 0.0 3.5
assign (resid   64 and name HN  )(resid 64 and name HB# )       0.0 0.0 3.1
assign (resid   64 and name HN  )(resid 64 and name HG# )       0.0 0.0 3.5
assign (resid   64 and name HA  )(resid 64 and name HB# )       0.0 0.0 2.7
assign (resid   64 and name HA  )(resid 64 and name HG# )       0.0 0.0 2.7
assign (resid   65 and name HN  )(resid 65 and name HA  )       0.0 0.0 3.5
assign (resid   65 and name HN  )(resid 65 and name HB# )       0.0 0.0 5
assign (resid   65 and name HA  )(resid 65 and name HB# )       0.0 0.0 4.4
assign (resid   65 and name HA  )(resid 65 and name HG  )       0.0 0.0 5
assign (resid   65 and name HA  )(resid 65 and name HD1#        )       0.0 0.0 5
assign (resid   65 and name HA  )(resid 65 and name HD2#        )       0.0 0.0 2.7
assign (resid   66 and name HN  )(resid 66 and name HA  )       0.0 0.0 3.5
assign (resid   66 and name HN  )(resid 66 and name HB# )       0.0 0.0 4.4
assign (resid   66 and name HA  )(resid 66 and name HB# )       0.0 0.0 2.4
assign (resid   67 and name HN  )(resid 67 and name HA  )       0.0 0.0 3.5
assign (resid   67 and name HN  )(resid 67 and name HB# )       0.0 0.0 3.5
assign (resid   68 and name HN  )(resid 68 and name HA  )       0.0 0.0 3.5
assign (resid   68 and name HN  )(resid 68 and name HB# )       0.0 0.0 3.1
assign (resid   69 and name HN  )(resid 69 and name HA  )       0.0 0.0 3.5
assign (resid   69 and name HN  )(resid 69 and name HB# )       0.0 0.0 3.1
assign (resid   70 and name HN  )(resid 70 and name HA  )       0.0 0.0 3.5
assign (resid   70 and name HN  )(resid 70 and name HB# )       0.0 0.0 3.5
assign (resid   70 and name HD# )(resid 70 and name HA  )       0.0 0.0 3.5
assign (resid   70 and name HD# )(resid 70 and name HB# )       0.0 0.0 3.5
assign (resid   71 and name HN  )(resid 71 and name HA  )       0.0 0.0 3.5
assign (resid   71 and name HN  )(resid 71 and name HB# )       0.0 0.0 2.7
assign (resid   72 and name HN  )(resid 72 and name HA  )       0.0 0.0 3.5
assign (resid   72 and name HN  )(resid 72 and name HB  )       0.0 0.0 3.5
assign (resid   72 and name HN  )(resid 72 and name HG2#        )       0.0 0.0 3.5
assign (resid   72 and name HN  )(resid 72 and name HG1#        )       0.0 0.0 5
assign (resid   72 and name HA  )(resid 72 and name HG2#        )       0.0 0.0 2.7
assign (resid   72 and name HA  )(resid 72 and name HG1#        )       0.0 0.0 2.7
assign (resid   73 and name HN  )(resid 73 and name HA  )       0.0 0.0 3.5
assign (resid   73 and name HN  )(resid 73 and name HB# )       0.0 0.0 2.7
assign (resid   74 and name HN  )(resid 74 and name HA  )       0.0 0.0 3.5
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assign (resid   74 and name HN  )(resid 74 and name HG# )       0.0 0.0 3.1
assign (resid   75 and name HN  )(resid 75 and name HA  )       0.0 0.0 3.5
assign (resid   75 and name HN  )(resid 75 and name HB# )       0.0 0.0 3.1
assign (resid   76 and name HN  )(resid 76 and name HA  )       0.0 0.0 3.5
assign (resid   76 and name HN  )(resid 76 and name HB# )       0.0 0.0 3.1
assign (resid   76 and name HA  )(resid 76 and name HD1#        )       0.0 0.0 5
assign (resid   76 and name HA  )(resid 76 and name HD2#        )       0.0 0.0 2.7
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assign (resid   77 and name HN  )(resid 77 and name HB  )       0.0 0.0 3.5
assign (resid   77 and name HN  )(resid 77 and name HG2#        )       0.0 0.0 3.5
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assign (resid   56 and name HG  )(resid 86 and name HG1#        )       0.0 0.0 5
assign (resid   56 and name HD1#        )(resid 86 and name HG1#        )       0.0 0.0 2.7
assign (resid   56 and name HD1#        )(resid 87 and name HD# )       0.0 0.0 4.4
assign (resid   56 and name HD1#        )(resid 87 and name HG# )       0.0 0.0 5
assign (resid   56 and name HD2#        )(resid 87 and name HG# )       0.0 0.0 5
assign (resid   56 and name HD1#        )(resid 87 and name HB# )       0.0 0.0 5
assign (resid   56 and name HD2#        )(resid 87 and name HB# )       0.0 0.0 5
assign (resid   56 and name HD1#        )(resid 88 and name HA  )       0.0 0.0 5
assign (resid   56 and name HD2#        )(resid 88 and name HA  )       0.0 0.0 3.5
assign (resid   56 and name HD##        )(resid 88 and name HN  )       0.0 0.0 5
assign (resid   56 and name HD1#        )(resid 89 and name HN  )       0.0 0.0 5
assign (resid   56 and name HD2#        )(resid 89 and name HN  )       0.0 0.0 3.5
assign (resid   56 and name HD2#        )(resid 89 and name HA  )       0.0 0.0 2.7
assign (resid   56 and name HD2#        )(resid 89 and name HB# )       0.0 0.0 3.5
assign (resid   56 and name HD2#        )(resid 90 and name HN  )       0.0 0.0 3.5
assign (resid   56 and name HA  )(resid 90 and name HD##        )       0.0 0.0 5
assign (resid   56 and name HB# )(resid 90 and name HD##        )       0.0 0.0 5
assign (resid   56 and name HD2#        )(resid 90 and name HA  )       0.0 0.0 2.7
assign (resid   56 and name HD2#        )(resid 90 and name HD##        )       0.0 0.0 4.4
assign (resid   57 and name HN  )(resid 65 and name HD2#        )       0.0 0.0 5
assign (resid   57 and name HA  )(resid 65 and name HD##        )       0.0 0.0 5
assign (resid   57 and name HB# )(resid 65 and name HD##        )       0.0 0.0 4.4
assign (resid   57 and name HA  )(resid 72 and name HG2#        )       0.0 0.0 5
assign (resid   57 and name HA  )(resid 72 and name HG1#        )       0.0 0.0 2.7
assign (resid   57 and name HB# )(resid 72 and name HG1#        )       0.0 0.0 4.4
assign (resid   57 and name HA  )(resid 73 and name HB# )       0.0 0.0 3.5
assign (resid   57 and name HB# )(resid 73 and name HB# )       0.0 0.0 3.1
assign (resid   57 and name HA  )(resid 90 and name HD##        )       0.0 0.0 5
assign (resid   58 and name HN  )(resid 65 and name HD2#        )       0.0 0.0 3.5
assign (resid   58 and name HA  )(resid 65 and name HD2#        )       0.0 0.0 2.7
assign (resid   58 and name HB# )(resid 65 and name HD2#        )       0.0 0.0 3.5
assign (resid   59 and name HN  )(resid 65 and name HD2#        )       0.0 0.0 5
assign (resid   59 and name HN  )(resid 69 and name HA  )       0.0 0.0 5
assign (resid   59 and name HN  )(resid 69 and name HB# )       0.0 0.0 4.4
assign (resid   59 and name HN  )(resid 69 and name HG# )       0.0 0.0 5
assign (resid   59 and name HD1#        )(resid 69 and name HA  )       0.0 0.0 5
assign (resid   59 and name HD1#        )(resid 69 and name HG# )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 72 and name HG2#        )       0.0 0.0 2.7
assign (resid   59 and name HG2#        )(resid 90 and name HD##        )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 90 and name HD##        )       0.0 0.0 3.1
assign (resid   59 and name HD1#        )(resid 95 and name HA  )       0.0 0.0 3.5
assign (resid   59 and name HG2#        )(resid 95 and name HG##        )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 95 and name HG##        )       0.0 0.0 2.7
assign (resid   59 and name HD1#        )(resid 96 and name HD# )       0.0 0.0 2.7
assign (resid   59 and name HG2#        )(resid 99 and name HN  )       0.0 0.0 5
assign (resid   59 and name HG2#        )(resid 99 and name HA  )       0.0 0.0 5
assign (resid   59 and name HG2#        )(resid 99 and name HB# )       0.0 0.0 4.4
assign (resid   59 and name HG2#        )(resid 99 and name HG# )       0.0 0.0 4.4
assign (resid   59 and name HG2#        )(resid 99 and name HD# )       0.0 0.0 4.4
assign (resid   59 and name HG2#        )(resid 99 and name HE# )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 99 and name HB# )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 99 and name HG# )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 99 and name HD# )       0.0 0.0 4.4
assign (resid   59 and name HD1#        )(resid 99 and name HE# )       0.0 0.0 4.4
assign (resid   60 and name HN  )(resid 69 and name HG# )       0.0 0.0 5
assign (resid   65 and name HD1#        )(resid 73 and name HB# )       0.0 0.0 2.7
assign (resid   72 and name HG1#        )(resid 90 and name HD##        )       0.0 0.0 2.7
assign (resid   72 and name HA  )(resid 94 and name HD##        )       0.0 0.0 4.4
assign (resid   72 and name HG1#        )(resid 94 and name HG  )       0.0 0.0 5
assign (resid   72 and name HG2#        )(resid 94 and name HD##        )       0.0 0.0 5
assign (resid   72 and name HG1#        )(resid 94 and name HD##        )       0.0 0.0 3.5
assign (resid   72 and name HG##        )(resid 94 and name HD##        )       0.0 0.0 3.5
assign (resid   72 and name HG2#        )(resid 95 and name HA  )       0.0 0.0 5
assign (resid   72 and name HG##        )(resid 95 and name HG##        )       0.0 0.0 5
assign (resid   72 and name HG2#        )(resid 96 and name HD# )       0.0 0.0 3.1
assign (resid   75 and name HD# )(resid 94 and name HD##        )       0.0 0.0 4.4
assign (resid   75 and name HE# )(resid 94 and name HD##        )       0.0 0.0 4.4
assign (resid   76 and name HD2#        )(resid 86 and name HA  )       0.0 0.0 3.5
assign (resid   76 and name HG  )(resid 86 and name HG1#        )       0.0 0.0 5
assign (resid   76 and name HD2#        )(resid 87 and name HD# )       0.0 0.0 3.1
assign (resid   76 and name HD1#        )(resid 90 and name HD##        )       0.0 0.0 4.4
assign (resid   76 and name HD##        )(resid 94 and name HD##        )       0.0 0.0 5
assign (resid   76 and name HD1#        )(resid 94 and name HD##        )       0.0 0.0 3.5
assign (resid   80 and name HB# )(resid 85 and name HA  )       0.0 0.0 5
assign (resid   80 and name HB# )(resid 86 and name HN  )       0.0 0.0 5
assign (resid   80 and name HB# )(resid 86 and name HB  )       0.0 0.0 5
assign (resid   80 and name HB# )(resid 86 and name HG2#        )       0.0 0.0 2.7

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1    HA   PRO   6           HA       PRO   6 -13.978  -2.367  -2.367
    2   1HB   PRO   6          2HB       PRO   6 -11.448  -3.339  -3.339
    3   2HB   PRO   6          1HB       PRO   6 -12.732  -3.567  -3.567
    4   1HG   PRO   6          2HG       PRO   6 -11.657  -5.476  -5.476
    5   2HG   PRO   6          1HG       PRO   6 -12.249  -5.771  -5.771
    6   1HD   PRO   6          2HD       PRO   6 -13.682  -6.280  -6.280
    7   2HD   PRO   6          1HD       PRO   6 -14.399  -6.032  -6.032
    8    H    TRP   7           H        TRP   7 -11.422  -1.671  -1.671
    9    HA   TRP   7           HA       TRP   7 -11.678  -1.034  -1.034
   10   1HB   TRP   7          2HB       TRP   7 -10.698   0.445   0.445
   11   2HB   TRP   7          1HB       TRP   7  -9.407  -0.725  -0.725
   12    HD1  TRP   7           HD1      TRP   7 -10.560  -0.257  -0.257
   13    HE1  TRP   7           HE1      TRP   7  -8.740   0.975   0.975
   14    HE3  TRP   7           HE3      TRP   7  -7.443   1.126   1.126
   15    HZ2  TRP   7           HZ2      TRP   7  -6.284   2.367   2.367
   16    HZ3  TRP   7           HZ3      TRP   7  -5.373   2.404   2.404
   17    HH2  TRP   7           HH2      TRP   7  -4.790   3.025   3.025
   18    H    ALA   8           H        ALA   8 -10.850  -2.192  -2.192
   19    HA   ALA   8           HA       ALA   8  -9.925  -4.799  -4.799
   20   1HB   ALA   8          2HB       ALA   8 -10.549  -3.381  -3.381
   21   2HB   ALA   8          1HB       ALA   8  -8.970  -2.603  -2.603
   22   3HB   ALA   8          3HB       ALA   8  -9.081  -4.323  -4.323
   23    H    VAL   9           H        VAL   9  -8.089  -1.885  -1.885
   24    HA   VAL   9           HA       VAL   9  -5.514  -3.344  -3.344
   25    HB   VAL   9           HB       VAL   9  -6.452  -0.510  -0.510
   26   1HG1  VAL   9          2HG1      VAL   9  -3.814  -1.749  -1.749
   27   2HG1  VAL   9          1HG1      VAL   9  -3.862  -0.089  -0.089
   28   3HG1  VAL   9          3HG1      VAL   9  -4.743  -0.528  -0.528
   29   1HG2  VAL   9          1HG2      VAL   9  -4.673  -1.947  -1.947
   30   2HG2  VAL   9          3HG2      VAL   9  -6.206  -1.132  -1.132
   31   3HG2  VAL   9          2HG2      VAL   9  -4.773  -0.188  -0.188
   32    H    LYS  10           H        LYS  10  -4.495  -4.050  -4.050
   33    HA   LYS  10           HA       LYS  10  -6.024  -3.945  -3.945
   34   1HB   LYS  10          2HB       LYS  10  -3.518  -5.393  -5.393
   35   2HB   LYS  10          1HB       LYS  10  -4.311  -5.668  -5.668
   36   1HG   LYS  10          2HG       LYS  10  -6.398  -5.892  -5.892
   37   2HG   LYS  10          1HG       LYS  10  -5.047  -6.633  -6.633
   38   1HD   LYS  10          2HD       LYS  10  -4.626  -7.802  -7.802
   39   2HD   LYS  10          1HD       LYS  10  -6.343  -7.465  -7.465
   40   1HE   LYS  10          2HE       LYS  10  -6.256  -8.470  -8.470
   41   2HE   LYS  10          1HE       LYS  10  -5.065  -9.463  -9.463
   42   1HZ   LYS  10          2HZ       LYS  10  -7.693  -8.812  -8.812
   43   2HZ   LYS  10          1HZ       LYS  10  -7.495 -10.163 -10.163
   44   3HZ   LYS  10          3HZ       LYS  10  -6.615 -10.052 -10.052
   45    HA   PRO  11           HA       PRO  11  -3.411  -1.010  -1.010
   46   1HB   PRO  11          2HB       PRO  11  -2.761  -2.208  -2.208
   47   2HB   PRO  11          1HB       PRO  11  -4.361  -1.512  -1.512
   48   1HG   PRO  11          2HG       PRO  11  -3.466  -4.358  -4.358
   49   2HG   PRO  11          1HG       PRO  11  -4.967  -3.682  -3.682
   50   1HD   PRO  11          2HD       PRO  11  -4.888  -4.829  -4.829
   51   2HD   PRO  11          1HD       PRO  11  -5.932  -3.433  -3.433
   52    H    GLU  12           H        GLU  12  -2.216  -4.341  -4.341
   53    HA   GLU  12           HA       GLU  12   0.583  -3.634  -3.634
   54   1HB   GLU  12          2HB       GLU  12   0.910  -6.005  -6.005
   55   2HB   GLU  12          1HB       GLU  12  -0.462  -5.848  -5.848
   56   1HG   GLU  12          2HG       GLU  12  -1.397  -7.214  -7.214
   57   2HG   GLU  12          1HG       GLU  12  -1.820  -5.630  -5.630
   58    H    ASP  13           H        ASP  13  -1.621  -3.809  -3.809
   59    HA   ASP  13           HA       ASP  13   0.498  -3.783  -3.783
   60   1HB   ASP  13          2HB       ASP  13  -2.375  -4.174  -4.174
   61   2HB   ASP  13          1HB       ASP  13  -2.005  -3.040  -3.040
   62    H    LYS  14           H        LYS  14  -1.794  -1.553  -1.553
   63    HA   LYS  14           HA       LYS  14  -1.165   0.738   0.738
   64   1HB   LYS  14          2HB       LYS  14  -3.202   0.593   0.593
   65   2HB   LYS  14          1HB       LYS  14  -2.285   0.372   0.372
   66   1HG   LYS  14          2HG       LYS  14  -2.860   2.657   2.657
   67   2HG   LYS  14          1HG       LYS  14  -1.210   2.661   2.661
   68   1HD   LYS  14          2HD       LYS  14  -2.888   2.327   2.327
   69   2HD   LYS  14          1HD       LYS  14  -3.623   3.603   3.603
   70   1HE   LYS  14          2HE       LYS  14  -0.681   3.552   3.552
   71   2HE   LYS  14          1HE       LYS  14  -1.921   4.488   4.488
   72   1HZ   LYS  14          1HZ       LYS  14  -1.920   4.706   4.706
   73   2HZ   LYS  14          3HZ       LYS  14  -0.609   5.435   5.435
   74   3HZ   LYS  14          2HZ       LYS  14  -2.197   5.897   5.897
   75    H    ALA  15           H        ALA  15   0.486  -0.899  -0.899
   76    HA   ALA  15           HA       ALA  15   2.071   1.405   1.405
   77   1HB   ALA  15          3HB       ALA  15   1.439  -1.204  -1.204
   78   2HB   ALA  15          2HB       ALA  15   3.172  -1.235  -1.235
   79   3HB   ALA  15          1HB       ALA  15   2.508  -0.060  -0.060
   80    H    LYS  16           H        LYS  16   2.499  -1.410  -1.410
   81    HA   LYS  16           HA       LYS  16   5.231  -0.640  -0.640
   82   1HB   LYS  16          2HB       LYS  16   5.213  -2.668  -2.668
   83   2HB   LYS  16          1HB       LYS  16   4.001  -2.973  -2.973
   84   1HG   LYS  16          2HG       LYS  16   2.321  -2.036  -2.036
   85   2HG   LYS  16          1HG       LYS  16   3.591  -2.333  -2.333
   86   1HD   LYS  16          2HD       LYS  16   2.785  -4.488  -4.488
   87   2HD   LYS  16          1HD       LYS  16   1.855  -4.229  -4.229
   88   1HE   LYS  16          2HE       LYS  16   3.624  -4.872  -4.872
   89   2HE   LYS  16          1HE       LYS  16   4.853  -4.472  -4.472
   90   1HZ   LYS  16          3HZ       LYS  16   3.931  -6.257  -6.257
   91   2HZ   LYS  16          2HZ       LYS  16   2.882  -6.694  -6.694
   92   3HZ   LYS  16          1HZ       LYS  16   4.563  -6.847  -6.847
   93    H    TYR  17           H        TYR  17   1.987  -0.002  -0.002
   94    HA   TYR  17           HA       TYR  17   2.649   0.989   0.989
   95   1HB   TYR  17          2HB       TYR  17   0.287   1.369   1.369
   96   2HB   TYR  17          1HB       TYR  17   0.306   1.911   1.911
   97    HD1  TYR  17           HD1      TYR  17   2.236  -1.026  -1.026
   98    HD2  TYR  17           HD2      TYR  17  -1.842   0.325   0.325
   99    HE1  TYR  17           HE1      TYR  17   1.495  -3.274  -3.274
  100    HE2  TYR  17           HE2      TYR  17  -2.587  -1.925  -1.925
  101    HH   TYR  17           HH       TYR  17  -0.381  -4.643  -4.643
  102    H    ASP  18           H        ASP  18   2.245   2.290   2.290
  103    HA   ASP  18           HA       ASP  18   2.505   5.092   5.092
  104   1HB   ASP  18          2HB       ASP  18   1.319   4.071   4.071
  105   2HB   ASP  18          1HB       ASP  18   2.917   3.792   3.792
  106    H    ALA  19           H        ALA  19   4.718   2.517   2.517
  107    HA   ALA  19           HA       ALA  19   6.999   4.312   4.312
  108   1HB   ALA  19          2HB       ALA  19   6.315   1.458   1.458
  109   2HB   ALA  19          1HB       ALA  19   7.921   1.733   1.733
  110   3HB   ALA  19          3HB       ALA  19   7.517   2.358   2.358
  111    H    ILE  20           H        ILE  20   5.579   2.375   2.375
  112    HA   ILE  20           HA       ILE  20   7.692   2.791   2.791
  113    HB   ILE  20           HB       ILE  20   4.838   1.785   1.785
  114   1HG1  ILE  20          2HG1      ILE  20   7.270   0.302   0.302
  115   2HG1  ILE  20          1HG1      ILE  20   6.961   0.459   0.459
  116   1HG2  ILE  20          3HG2      ILE  20   5.242   3.001   3.001
  117   2HG2  ILE  20          2HG2      ILE  20   6.599   1.924   1.924
  118   3HG2  ILE  20          1HG2      ILE  20   4.961   1.277   1.277
  119   1HD1  ILE  20          3HD1      ILE  20   4.490  -0.240  -0.240
  120   2HD1  ILE  20          2HD1      ILE  20   5.708  -1.314  -1.314
  121   3HD1  ILE  20          1HD1      ILE  20   5.490  -1.237  -1.237
  122    H    PHE  21           H        PHE  21   4.674   4.274   4.274
  123    HA   PHE  21           HA       PHE  21   4.371   6.110   6.110
  124   1HB   PHE  21          2HB       PHE  21   2.425   5.862   5.862
  125   2HB   PHE  21          1HB       PHE  21   3.292   5.628   5.628
  126    HD1  PHE  21           HD2      PHE  21   4.403   7.665   7.665
  127    HD2  PHE  21           HD1      PHE  21   1.509   7.973   7.973
  128    HE1  PHE  21           HE2      PHE  21   3.996  10.033  10.033
  129    HE2  PHE  21           HE1      PHE  21   1.099  10.342  10.342
  130    HZ   PHE  21           HZ       PHE  21   2.345  11.371  11.371
  131    H    ASP  22           H        ASP  22   5.988   6.228   6.228
  132    HA   ASP  22           HA       ASP  22   6.892   9.007   9.007
  133   1HB   ASP  22          2HB       ASP  22   6.169   8.345   8.345
  134   2HB   ASP  22          1HB       ASP  22   7.234   6.936   6.936
  135    H    SER  23           H        SER  23   7.867   6.067   6.067
  136    HA   SER  23           HA       SER  23  10.789   6.516   6.516
  137   1HB   SER  23          2HB       SER  23  10.654   4.250   4.250
  138   2HB   SER  23          1HB       SER  23   8.955   4.325   4.325
  139    HG   SER  23           HG       SER  23  10.573   3.340   3.340
  140    H    LEU  24           H        LEU  24   8.361   7.666   7.666
  141    HA   LEU  24           HA       LEU  24  10.038   7.884   7.884
  142   1HB   LEU  24          2HB       LEU  24   7.164   8.618   8.618
  143   2HB   LEU  24          1HB       LEU  24   8.079   7.658   7.658
  144    HG   LEU  24           HG       LEU  24   7.188   6.665   6.665
  145   1HD1  LEU  24          2HD1      LEU  24   5.610   7.139   7.139
  146   2HD1  LEU  24          1HD1      LEU  24   5.958   5.411   5.411
  147   3HD1  LEU  24          3HD1      LEU  24   5.190   6.115   6.115
  148   1HD2  LEU  24          1HD2      LEU  24   8.732   5.543   5.543
  149   2HD2  LEU  24          3HD2      LEU  24   8.915   5.242   5.242
  150   3HD2  LEU  24          2HD2      LEU  24   7.614   4.462   4.462
  151    H    SER  25           H        SER  25   9.093   9.512   9.512
  152    HA   SER  25           HA       SER  25   9.508  11.786  11.786
  153   1HB   SER  25          2HB       SER  25   9.564  12.536  12.536
  154   2HB   SER  25          1HB       SER  25  10.485  13.212  13.212
  155    HG   SER  25           HG       SER  25  11.215  11.321  11.321
  156    HA   PRO  26           HA       PRO  26   5.061  12.208  12.208
  157   1HB   PRO  26          2HB       PRO  26   4.385  12.737  12.737
  158   2HB   PRO  26          1HB       PRO  26   4.593  11.088  11.088
  159   1HG   PRO  26          2HG       PRO  26   6.436  12.738  12.738
  160   2HG   PRO  26          1HG       PRO  26   6.131  10.996  10.996
  161   1HD   PRO  26          2HD       PRO  26   8.320  12.158  12.158
  162   2HD   PRO  26          1HD       PRO  26   7.677  10.557  10.557
  163    H    VAL  27           H        VAL  27   3.831  14.128  14.128
  164    HA   VAL  27           HA       VAL  27   5.295  16.630  16.630
  165    HB   VAL  27           HB       VAL  27   3.380  16.028  16.028
  166   1HG1  VAL  27          1HG1      VAL  27   3.538  18.424  18.424
  167   2HG1  VAL  27          3HG1      VAL  27   5.037  18.517  18.517
  168   3HG1  VAL  27          2HG1      VAL  27   3.503  18.259  18.259
  169   1HG2  VAL  27          2HG2      VAL  27   6.175  15.586  15.586
  170   2HG2  VAL  27          1HG2      VAL  27   5.212  15.417  15.417
  171   3HG2  VAL  27          3HG2      VAL  27   5.986  16.956  16.956
  172    H    ASN  28           H        ASN  28   4.254  16.949  16.949
  173    HA   ASN  28           HA       ASN  28   2.506  17.607  17.607
  174   1HB   ASN  28          2HB       ASN  28   2.309  19.400  19.400
  175   2HB   ASN  28          1HB       ASN  28   1.403  18.356  18.356
  176   1HD2  ASN  28          1HD2      ASN  28  -0.857  18.089  18.089
  177   2HD2  ASN  28          2HD2      ASN  28  -1.684  18.873  18.873
  178    H    GLY  29           H        GLY  29   2.521  14.868  14.868
  179   1HA   GLY  29          2HA       GLY  29   1.086  13.033  13.033
  180   2HA   GLY  29          1HA       GLY  29  -0.275  14.156  14.156
  181    H    PHE  30           H        PHE  30   2.090  13.968  13.968
  182    HA   PHE  30           HA       PHE  30   0.188  12.455  12.455
  183   1HB   PHE  30          2HB       PHE  30   1.106  15.311  15.311
  184   2HB   PHE  30          1HB       PHE  30   0.345  14.349  14.349
  185    HD1  PHE  30           HD2      PHE  30  -1.964  13.472  13.472
  186    HD2  PHE  30           HD1      PHE  30  -0.166  16.243  16.243
  187    HE1  PHE  30           HE2      PHE  30  -4.205  14.011  14.011
  188    HE2  PHE  30           HE1      PHE  30  -2.393  16.779  16.779
  189    HZ   PHE  30           HZ       PHE  30  -4.421  15.667  15.667
  190    H    LEU  31           H        LEU  31   1.153  11.786  11.786
  191    HA   LEU  31           HA       LEU  31   4.122  12.115  12.115
  192   1HB   LEU  31          2HB       LEU  31   2.463   9.582   9.582
  193   2HB   LEU  31          1HB       LEU  31   4.094   9.642   9.642
  194    HG   LEU  31           HG       LEU  31   3.522  10.612  10.612
  195   1HD1  LEU  31          3HD1      LEU  31   2.853   8.119   8.119
  196   2HD1  LEU  31          2HD1      LEU  31   4.597   7.866   7.866
  197   3HD1  LEU  31          1HD1      LEU  31   3.765   8.477   8.477
  198   1HD2  LEU  31          2HD2      LEU  31   5.895   9.988   9.988
  199   2HD2  LEU  31          1HD2      LEU  31   5.674  11.267  11.267
  200   3HD2  LEU  31          3HD2      LEU  31   6.018   9.618   9.618
  201    H    SER  32           H        SER  32   4.708  12.608  12.608
  202    HA   SER  32           HA       SER  32   2.626  12.868  12.868
  203   1HB   SER  32          2HB       SER  32   4.234  14.134  14.134
  204   2HB   SER  32          1HB       SER  32   4.710  14.353  14.353
  205    HG   SER  32           HG       SER  32   6.470  13.765  13.765
  206    H    GLY  33           H        GLY  33   2.339  11.600  11.600
  207   1HA   GLY  33          2HA       GLY  33   2.929   8.902   8.902
  208   2HA   GLY  33          1HA       GLY  33   2.737   9.848   9.848
  209    H    ASP  34           H        ASP  34   5.106  11.550  11.550
  210    HA   ASP  34           HA       ASP  34   7.130  10.134  10.134
  211   1HB   ASP  34          2HB       ASP  34   6.768  12.640  12.640
  212   2HB   ASP  34          1HB       ASP  34   7.571  12.358  12.358
  213    H    LYS  35           H        LYS  35   6.139   9.924   9.924
  214    HA   LYS  35           HA       LYS  35   8.720   8.616   8.616
  215   1HB   LYS  35          2HB       LYS  35   6.423   9.401   9.401
  216   2HB   LYS  35          1HB       LYS  35   8.121   9.195   9.195
  217   1HG   LYS  35          2HG       LYS  35   8.683  11.145  11.145
  218   2HG   LYS  35          1HG       LYS  35   6.959  11.382  11.382
  219   1HD   LYS  35          2HD       LYS  35   6.871  11.282  11.282
  220   2HD   LYS  35          1HD       LYS  35   8.536  11.842  11.842
  221   1HE   LYS  35          2HE       LYS  35   6.396  13.208  13.208
  222   2HE   LYS  35          1HE       LYS  35   6.571  13.606  13.606
  223   1HZ   LYS  35          3HZ       LYS  35   9.045  13.738  13.738
  224   2HZ   LYS  35          2HZ       LYS  35   8.598  13.812  13.812
  225   3HZ   LYS  35          1HZ       LYS  35   8.079  15.016  15.016
  226    H    VAL  36           H        VAL  36   5.202   8.254   8.254
  227    HA   VAL  36           HA       VAL  36   5.247   5.549   5.549
  228    HB   VAL  36           HB       VAL  36   3.162   7.122   7.122
  229   1HG1  VAL  36          3HG1      VAL  36   2.876   4.606   4.606
  230   2HG1  VAL  36          2HG1      VAL  36   2.769   4.794   4.794
  231   3HG1  VAL  36          1HG1      VAL  36   1.565   5.549   5.549
  232   1HG2  VAL  36          3HG2      VAL  36   4.052   7.074   7.074
  233   2HG2  VAL  36          2HG2      VAL  36   3.447   8.420   8.420
  234   3HG2  VAL  36          1HG2      VAL  36   2.323   7.225   7.225
  235    H    LYS  37           H        LYS  37   5.103   7.019   7.019
  236    HA   LYS  37           HA       LYS  37   4.385   4.833   4.833
  237   1HB   LYS  37          2HB       LYS  37   4.720   6.956   6.956
  238   2HB   LYS  37          1HB       LYS  37   6.359   7.091   7.091
  239   1HG   LYS  37          2HG       LYS  37   7.104   5.260   5.260
  240   2HG   LYS  37          1HG       LYS  37   5.458   5.035   5.035
  241   1HD   LYS  37          2HD       LYS  37   5.716   7.642   7.642
  242   2HD   LYS  37          1HD       LYS  37   7.422   7.196   7.196
  243   1HE   LYS  37          2HE       LYS  37   6.527   6.908   6.908
  244   2HE   LYS  37          1HE       LYS  37   6.735   5.281   5.281
  245   1HZ   LYS  37          2HZ       LYS  37   4.227   6.745   6.745
  246   2HZ   LYS  37          1HZ       LYS  37   4.454   5.958   5.958
  247   3HZ   LYS  37          3HZ       LYS  37   4.501   5.068   5.068
  248    HA   PRO  38           HA       PRO  38   8.966   3.343   3.343
  249   1HB   PRO  38          2HB       PRO  38  10.574   4.306   4.306
  250   2HB   PRO  38          1HB       PRO  38  10.477   5.053   5.053
  251   1HG   PRO  38          2HG       PRO  38   9.116   5.833   5.833
  252   2HG   PRO  38          1HG       PRO  38   9.887   6.860   6.860
  253   1HD   PRO  38          2HD       PRO  38   7.224   6.573   6.573
  254   2HD   PRO  38          1HD       PRO  38   8.078   6.747   6.747
  255    H    VAL  39           H        VAL  39   7.385   4.178   4.178
  256    HA   VAL  39           HA       VAL  39   8.248   1.831   1.831
  257    HB   VAL  39           HB       VAL  39   6.255   4.071   4.071
  258   1HG1  VAL  39          1HG1      VAL  39   5.179   1.996   1.996
  259   2HG1  VAL  39          3HG1      VAL  39   6.531   1.826   1.826
  260   3HG1  VAL  39          2HG1      VAL  39   5.461   3.223   3.223
  261   1HG2  VAL  39          1HG2      VAL  39   8.902   3.824   3.824
  262   2HG2  VAL  39          3HG2      VAL  39   7.784   4.979   4.979
  263   3HG2  VAL  39          2HG2      VAL  39   8.104   3.437   3.437
  264    H    LEU  40           H        LEU  40   6.001   2.357   2.357
  265    HA   LEU  40           HA       LEU  40   4.282   0.073   0.073
  266   1HB   LEU  40          2HB       LEU  40   4.106   2.246   2.246
  267   2HB   LEU  40          1HB       LEU  40   2.959   0.908   0.908
  268    HG   LEU  40           HG       LEU  40   3.535   2.818   2.818
  269   1HD1  LEU  40          1HD1      LEU  40   1.507   2.790   2.790
  270   2HD1  LEU  40          3HD1      LEU  40   0.985   3.310   3.310
  271   3HD1  LEU  40          2HD1      LEU  40   2.294   4.162   4.162
  272   1HD2  LEU  40          2HD2      LEU  40   1.849   0.371   0.371
  273   2HD2  LEU  40          1HD2      LEU  40   2.745   0.929   0.929
  274   3HD2  LEU  40          3HD2      LEU  40   1.211   1.686   1.686
  275    H    LEU  41           H        LEU  41   6.912   0.926   0.926
  276    HA   LEU  41           HA       LEU  41   6.504  -1.237  -1.237
  277   1HB   LEU  41          2HB       LEU  41   8.824   0.648   0.648
  278   2HB   LEU  41          1HB       LEU  41   8.573  -0.307  -0.307
  279    HG   LEU  41           HG       LEU  41   6.377   1.512   1.512
  280   1HD1  LEU  41          3HD1      LEU  41   9.038   2.404   2.404
  281   2HD1  LEU  41          2HD1      LEU  41   8.097   2.871   2.871
  282   3HD1  LEU  41          1HD1      LEU  41   7.588   3.389   3.389
  283   1HD2  LEU  41          2HD2      LEU  41   7.048  -0.097  -0.097
  284   2HD2  LEU  41          1HD2      LEU  41   5.600   0.881   0.881
  285   3HD2  LEU  41          3HD2      LEU  41   7.022   1.587   1.587
  286    H    ASN  42           H        ASN  42   8.658  -0.462  -0.462
  287    HA   ASN  42           HA       ASN  42  10.412  -2.654  -2.654
  288   1HB   ASN  42          2HB       ASN  42  10.838  -2.202  -2.202
  289   2HB   ASN  42          1HB       ASN  42  10.304  -0.659  -0.659
  290   1HD2  ASN  42          1HD2      ASN  42   7.571  -0.812  -0.812
  291   2HD2  ASN  42          2HD2      ASN  42   6.948  -1.129  -1.129
  292    H    SER  43           H        SER  43   7.022  -2.572  -2.572
  293    HA   SER  43           HA       SER  43   6.731  -5.042  -5.042
  294   1HB   SER  43          2HB       SER  43   4.589  -4.177  -4.177
  295   2HB   SER  43          1HB       SER  43   4.532  -4.441  -4.441
  296    HG   SER  43           HG       SER  43   4.831  -2.384  -2.384
  297    H    LYS  44           H        LYS  44   7.754  -4.468  -4.468
  298    HA   LYS  44           HA       LYS  44   8.245  -5.999  -5.999
  299   1HB   LYS  44          2HB       LYS  44   8.103  -7.499  -7.499
  300   2HB   LYS  44          1HB       LYS  44   6.862  -8.260  -8.260
  301   1HG   LYS  44          2HG       LYS  44   9.019  -7.810  -7.810
  302   2HG   LYS  44          1HG       LYS  44   9.750  -8.404  -8.404
  303   1HD   LYS  44          2HD       LYS  44   9.227 -10.361 -10.361
  304   2HD   LYS  44          1HD       LYS  44   7.949 -10.235 -10.235
  305   1HE   LYS  44          2HE       LYS  44   6.361  -9.469  -9.469
  306   2HE   LYS  44          1HE       LYS  44   7.618  -9.012  -9.012
  307   1HZ   LYS  44          3HZ       LYS  44   8.226 -11.557 -11.557
  308   2HZ   LYS  44          2HZ       LYS  44   6.554 -11.651 -11.651
  309   3HZ   LYS  44          1HZ       LYS  44   7.130 -11.045 -11.045
  310    H    LEU  45           H        LEU  45   5.375  -4.814  -4.814
  311    HA   LEU  45           HA       LEU  45   3.645  -6.493  -6.493
  312   1HB   LEU  45          2HB       LEU  45   3.356  -4.208  -4.208
  313   2HB   LEU  45          1HB       LEU  45   2.062  -4.502  -4.502
  314    HG   LEU  45           HG       LEU  45   3.182  -6.560  -6.560
  315   1HD1  LEU  45          3HD1      LEU  45   1.622  -4.494  -4.494
  316   2HD1  LEU  45          2HD1      LEU  45   0.370  -5.576  -5.576
  317   3HD1  LEU  45          1HD1      LEU  45   1.425  -6.098  -6.098
  318   1HD2  LEU  45          3HD2      LEU  45   1.951  -7.011  -7.011
  319   2HD2  LEU  45          2HD2      LEU  45   1.895  -8.120  -8.120
  320   3HD2  LEU  45          1HD2      LEU  45   0.574  -6.982  -6.982
  321    HA   PRO  46           HA       PRO  46   4.048  -3.887  -3.887
  322   1HB   PRO  46          2HB       PRO  46   1.578  -4.210  -4.210
  323   2HB   PRO  46          1HB       PRO  46   2.831  -5.466  -5.466
  324   1HG   PRO  46          2HG       PRO  46   0.421  -5.242  -5.242
  325   2HG   PRO  46          1HG       PRO  46   1.205  -6.678  -6.678
  326   1HD   PRO  46          2HD       PRO  46   1.462  -5.833  -5.833
  327   2HD   PRO  46          1HD       PRO  46   2.623  -6.880  -6.880
  328    H    VAL  47           H        VAL  47   3.078  -1.898  -1.898
  329    HA   VAL  47           HA       VAL  47   2.313   0.042   0.042
  330    HB   VAL  47           HB       VAL  47   2.435  -0.128  -0.128
  331   1HG1  VAL  47          3HG1      VAL  47   0.500   1.335   1.335
  332   2HG1  VAL  47          2HG1      VAL  47   1.573   2.311   2.311
  333   3HG1  VAL  47          1HG1      VAL  47   1.822   2.235   2.235
  334   1HG2  VAL  47          2HG2      VAL  47   4.302   0.372   0.372
  335   2HG2  VAL  47          1HG2      VAL  47   4.458   0.866   0.866
  336   3HG2  VAL  47          3HG2      VAL  47   3.831   2.000   2.000
  337    H    ASP  48           H        ASP  48   0.460  -2.379  -2.379
  338    HA   ASP  48           HA       ASP  48  -2.061  -0.954  -0.954
  339   1HB   ASP  48          2HB       ASP  48  -0.965  -3.671  -3.671
  340   2HB   ASP  48          1HB       ASP  48  -2.641  -3.612  -3.612
  341    H    ILE  49           H        ILE  49  -0.487  -3.022  -3.022
  342    HA   ILE  49           HA       ILE  49  -2.681  -3.026  -3.026
  343    HB   ILE  49           HB       ILE  49   0.271  -3.245  -3.245
  344   1HG1  ILE  49          2HG1      ILE  49   0.012  -4.673  -4.673
  345   2HG1  ILE  49          1HG1      ILE  49  -0.068  -5.723  -5.723
  346   1HG2  ILE  49          1HG2      ILE  49  -2.236  -3.778  -3.778
  347   2HG2  ILE  49          3HG2      ILE  49  -1.219  -5.216  -5.216
  348   3HG2  ILE  49          2HG2      ILE  49  -0.596  -3.726  -3.726
  349   1HD1  ILE  49          2HD1      ILE  49  -2.459  -4.620  -4.620
  350   2HD1  ILE  49          1HD1      ILE  49  -1.851  -6.272  -6.272
  351   3HD1  ILE  49          3HD1      ILE  49  -2.526  -5.682  -5.682
  352    H    LEU  50           H        LEU  50   0.319  -1.193  -1.193
  353    HA   LEU  50           HA       LEU  50  -0.075   0.599   0.599
  354   1HB   LEU  50          2HB       LEU  50   1.330   1.254   1.254
  355   2HB   LEU  50          1HB       LEU  50   1.772   1.762   1.762
  356    HG   LEU  50           HG       LEU  50   2.131  -0.932  -0.932
  357   1HD1  LEU  50          2HD1      LEU  50   3.875   0.985   0.985
  358   2HD1  LEU  50          1HD1      LEU  50   4.019   0.553   0.553
  359   3HD1  LEU  50          3HD1      LEU  50   4.390  -0.638  -0.638
  360   1HD2  LEU  50          2HD2      LEU  50   1.650  -0.304  -0.304
  361   2HD2  LEU  50          1HD2      LEU  50   1.232  -1.751  -1.751
  362   3HD2  LEU  50          3HD2      LEU  50   2.893  -1.491  -1.491
  363    H    GLY  51           H        GLY  51  -1.558   0.338   0.338
  364   1HA   GLY  51          2HA       GLY  51  -2.440   3.162   3.162
  365   2HA   GLY  51          1HA       GLY  51  -2.821   1.941   1.941
  366    H    ARG  52           H        ARG  52  -3.653  -0.063  -0.063
  367    HA   ARG  52           HA       ARG  52  -6.384   0.953   0.953
  368   1HB   ARG  52          2HB       ARG  52  -5.426  -1.351  -1.351
  369   2HB   ARG  52          1HB       ARG  52  -5.521  -1.814  -1.814
  370   1HG   ARG  52          2HG       ARG  52  -7.879  -1.054  -1.054
  371   2HG   ARG  52          1HG       ARG  52  -7.780  -0.666  -0.666
  372   1HD   ARG  52          2HD       ARG  52  -7.544  -3.401  -3.401
  373   2HD   ARG  52          1HD       ARG  52  -8.749  -2.854  -2.854
  374    HE   ARG  52           HE       ARG  52  -5.876  -3.379  -3.379
  375   1HH1  ARG  52          1HH2      ARG  52  -6.779  -1.094  -1.094
  376   2HH1  ARG  52          2HH2      ARG  52  -7.446  -1.863  -1.863
  377   1HH2  ARG  52          2HH1      ARG  52  -7.706  -4.974  -4.974
  378   2HH2  ARG  52          1HH1      ARG  52  -7.971  -4.058  -4.058
  379    H    VAL  53           H        VAL  53  -3.889  -0.877  -0.877
  380    HA   VAL  53           HA       VAL  53  -4.993  -0.752  -0.752
  381    HB   VAL  53           HB       VAL  53  -2.163  -0.547  -0.547
  382   1HG1  VAL  53          3HG1      VAL  53  -3.055   0.122   0.122
  383   2HG1  VAL  53          2HG1      VAL  53  -2.183  -1.409  -1.409
  384   3HG1  VAL  53          1HG1      VAL  53  -1.400   0.017   0.017
  385   1HG2  VAL  53          2HG2      VAL  53  -3.769  -2.633  -2.633
  386   2HG2  VAL  53          1HG2      VAL  53  -2.086  -2.851  -2.851
  387   3HG2  VAL  53          3HG2      VAL  53  -3.356  -2.790  -2.790
  388    H    TRP  54           H        TRP  54  -2.690   1.617   1.617
  389    HA   TRP  54           HA       TRP  54  -2.796   3.604   3.604
  390   1HB   TRP  54          2HB       TRP  54  -1.327   3.795   3.795
  391   2HB   TRP  54          1HB       TRP  54  -2.670   3.704   3.704
  392    HD1  TRP  54           HD1      TRP  54  -4.407   5.823   5.823
  393    HE1  TRP  54           HE1      TRP  54  -3.953   8.316   8.316
  394    HE3  TRP  54           HE3      TRP  54   0.100   5.468   5.468
  395    HZ2  TRP  54           HZ2      TRP  54  -1.942   9.943   9.943
  396    HZ3  TRP  54           HZ3      TRP  54   1.263   7.504   7.504
  397    HH2  TRP  54           HH2      TRP  54   0.250   9.741   9.741
  398    H    GLU  55           H        GLU  55  -4.931   3.403   3.403
  399    HA   GLU  55           HA       GLU  55  -6.655   5.522   5.522
  400   1HB   GLU  55          2HB       GLU  55  -7.083   2.754   2.754
  401   2HB   GLU  55          1HB       GLU  55  -8.379   3.950   3.950
  402   1HG   GLU  55          2HG       GLU  55  -5.657   4.539   4.539
  403   2HG   GLU  55          1HG       GLU  55  -6.976   3.866   3.866
  404    H    LEU  56           H        LEU  56  -7.061   2.180   2.180
  405    HA   LEU  56           HA       LEU  56  -9.281   2.895   2.895
  406   1HB   LEU  56          2HB       LEU  56  -7.444   0.472   0.472
  407   2HB   LEU  56          1HB       LEU  56  -9.026   0.552   0.552
  408    HG   LEU  56           HG       LEU  56  -9.012   1.363   1.363
  409   1HD1  LEU  56          2HD1      LEU  56  -7.368  -0.682  -0.682
  410   2HD1  LEU  56          1HD1      LEU  56  -8.873  -1.587  -1.587
  411   3HD1  LEU  56          3HD1      LEU  56  -8.534  -0.694  -0.694
  412   1HD2  LEU  56          2HD2      LEU  56 -10.929   0.810   0.810
  413   2HD2  LEU  56          1HD2      LEU  56 -11.162   0.497   0.497
  414   3HD2  LEU  56          3HD2      LEU  56 -10.710  -0.819  -0.819
  415    H    SER  57           H        SER  57  -5.945   3.394   3.394
  416    HA   SER  57           HA       SER  57  -5.842   3.288   3.288
  417   1HB   SER  57          2HB       SER  57  -3.713   2.687   2.687
  418   2HB   SER  57          1HB       SER  57  -4.091   2.680   2.680
  419    HG   SER  57           HG       SER  57  -2.432   4.106   4.106
  420    H    ASP  58           H        ASP  58  -5.542   5.517   5.517
  421    HA   ASP  58           HA       ASP  58  -4.894   7.832   7.832
  422   1HB   ASP  58          2HB       ASP  58  -4.290   7.312   7.312
  423   2HB   ASP  58          1HB       ASP  58  -5.940   7.807   7.807
  424    H    ILE  59           H        ILE  59  -6.878   7.314   7.314
  425    HA   ILE  59           HA       ILE  59  -9.536   7.410   7.410
  426    HB   ILE  59           HB       ILE  59  -8.059   8.975   8.975
  427   1HG1  ILE  59          2HG1      ILE  59  -7.541   6.589   6.589
  428   2HG1  ILE  59          1HG1      ILE  59  -8.626   6.967   6.967
  429   1HG2  ILE  59          1HG2      ILE  59 -10.636   9.379   9.379
  430   2HG2  ILE  59          3HG2      ILE  59 -10.826   7.935   7.935
  431   3HG2  ILE  59          2HG2      ILE  59 -10.062   9.376   9.376
  432   1HD1  ILE  59          1HD1      ILE  59 -10.526   6.337   6.337
  433   2HD1  ILE  59          3HD1      ILE  59  -9.244   5.549   5.549
  434   3HD1  ILE  59          2HD1      ILE  59  -9.586   5.034   5.034
  435    H    ASP  60           H        ASP  60  -7.299  10.153  10.153
  436    HA   ASP  60           HA       ASP  60  -9.512  11.969  11.969
  437   1HB   ASP  60          2HB       ASP  60  -8.148  13.572  13.572
  438   2HB   ASP  60          1HB       ASP  60  -7.229  12.225  12.225
  439    H    HIS  61           H        HIS  61  -6.836  10.214  10.214
  440    HA   HIS  61           HA       HIS  61  -6.321   9.836   9.836
  441   1HB   HIS  61          2HB       HIS  61  -8.837  11.348  11.348
  442   2HB   HIS  61          1HB       HIS  61  -8.162   9.923   9.923
  443    HD1  HIS  61           HD1      HIS  61  -8.330   7.632   7.632
  444    HD2  HIS  61           HD2      HIS  61 -10.653  10.789  10.789
  445    HE1  HIS  61           HE1      HIS  61 -10.028   6.618   6.618
  446    H    ASP  62           H        ASP  62  -5.144  12.119  12.119
  447    HA   ASP  62           HA       ASP  62  -5.332  14.169  14.169
  448   1HB   ASP  62          2HB       ASP  62  -4.843  15.773  15.773
  449   2HB   ASP  62          1HB       ASP  62  -5.903  14.628  14.628
  450    H    GLY  63           H        GLY  63  -3.595  11.598  11.598
  451   1HA   GLY  63          2HA       GLY  63  -1.478  11.132  11.132
  452   2HA   GLY  63          1HA       GLY  63  -1.130  12.863  12.863
  453    H    MET  64           H        MET  64  -2.309  12.194  12.194
  454    HA   MET  64           HA       MET  64   0.389  11.536  11.536
  455   1HB   MET  64          2HB       MET  64  -1.372  13.875  13.875
  456   2HB   MET  64          1HB       MET  64  -0.773  13.237  13.237
  457   1HG   MET  64          2HG       MET  64   1.513  13.375  13.375
  458   2HG   MET  64          1HG       MET  64   0.969  13.871  13.871
  459   1HE   MET  64          1HE       MET  64   3.049  14.999  14.999
  460   2HE   MET  64          3HE       MET  64   2.891  16.731  16.731
  461   3HE   MET  64          2HE       MET  64   2.725  15.565  15.565
  462    H    LEU  65           H        LEU  65   0.274  10.601  10.601
  463    HA   LEU  65           HA       LEU  65  -2.387   9.340   9.340
  464   1HB   LEU  65          2HB       LEU  65   0.417   8.255   8.255
  465   2HB   LEU  65          1HB       LEU  65  -0.762   7.458   7.458
  466    HG   LEU  65           HG       LEU  65  -1.184   8.029   8.029
  467   1HD1  LEU  65          1HD1      LEU  65   0.581   6.221   6.221
  468   2HD1  LEU  65          3HD1      LEU  65  -0.897   5.260   5.260
  469   3HD1  LEU  65          2HD1      LEU  65  -0.354   5.947   5.947
  470   1HD2  LEU  65          3HD2      LEU  65  -3.134   7.719   7.719
  471   2HD2  LEU  65          2HD2      LEU  65  -3.229   6.946   6.946
  472   3HD2  LEU  65          1HD2      LEU  65  -2.710   6.017   6.017
  473    H    ASP  66           H        ASP  66  -3.068  10.221  10.221
  474    HA   ASP  66           HA       ASP  66  -1.278  11.409  11.409
  475   1HB   ASP  66          2HB       ASP  66  -3.765  11.850  11.850
  476   2HB   ASP  66          1HB       ASP  66  -4.085  10.391  10.391
  477    H    ARG  67           H        ARG  67  -1.374  10.542  10.542
  478    HA   ARG  67           HA       ARG  67  -0.088   8.037   8.037
  479   1HB   ARG  67          2HB       ARG  67  -0.874   8.261   8.261
  480   2HB   ARG  67          1HB       ARG  67   0.102   9.572   9.572
  481   1HG   ARG  67          2HG       ARG  67  -1.670  11.040  11.040
  482   2HG   ARG  67          1HG       ARG  67  -2.856   9.759   9.759
  483   1HD   ARG  67          2HD       ARG  67  -2.344   9.022   9.022
  484   2HD   ARG  67          1HD       ARG  67  -1.531  10.588  10.588
  485    HE   ARG  67           HE       ARG  67  -3.893  11.354  11.354
  486   1HH1  ARG  67          1HH2      ARG  67  -3.003  11.013  11.013
  487   2HH1  ARG  67          2HH2      ARG  67  -4.515  10.466  10.466
  488   1HH2  ARG  67          2HH1      ARG  67  -5.914   9.846   9.846
  489   2HH2  ARG  67          1HH1      ARG  67  -6.165   9.808   9.808
  490    H    ASP  68           H        ASP  68  -3.540   8.786   8.786
  491    HA   ASP  68           HA       ASP  68  -4.252   6.020   6.020
  492   1HB   ASP  68          2HB       ASP  68  -5.380   8.586   8.586
  493   2HB   ASP  68          1HB       ASP  68  -6.387   7.740   7.740
  494    H    GLU  69           H        GLU  69  -4.144   8.083   8.083
  495    HA   GLU  69           HA       GLU  69  -5.550   6.182   6.182
  496   1HB   GLU  69          2HB       GLU  69  -3.729   8.492   8.492
  497   2HB   GLU  69          1HB       GLU  69  -5.026   7.811   7.811
  498   1HG   GLU  69          2HG       GLU  69  -6.662   8.485   8.485
  499   2HG   GLU  69          1HG       GLU  69  -5.351   9.253   9.253
  500    H    PHE  70           H        PHE  70  -2.176   7.081   7.081
  501    HA   PHE  70           HA       PHE  70  -0.986   5.402   5.402
  502   1HB   PHE  70          2HB       PHE  70   0.139   7.267   7.267
  503   2HB   PHE  70          1HB       PHE  70   0.042   6.344   6.344
  504    HD1  PHE  70           HD2      PHE  70   1.397   4.341   4.341
  505    HD2  PHE  70           HD1      PHE  70   1.656   6.604   6.604
  506    HE1  PHE  70           HE2      PHE  70   3.476   3.132   3.132
  507    HE2  PHE  70           HE1      PHE  70   3.735   5.394   5.394
  508    HZ   PHE  70           HZ       PHE  70   4.640   3.665   3.665
  509    H    ALA  71           H        ALA  71  -2.265   4.842   4.842
  510    HA   ALA  71           HA       ALA  71  -1.014   2.316   2.316
  511   1HB   ALA  71          2HB       ALA  71  -2.337   3.905   3.905
  512   2HB   ALA  71          1HB       ALA  71  -3.795   3.233   3.233
  513   3HB   ALA  71          3HB       ALA  71  -2.709   2.192   2.192
  514    H    VAL  72           H        VAL  72  -4.098   3.168   3.168
  515    HA   VAL  72           HA       VAL  72  -5.074   0.538   0.538
  516    HB   VAL  72           HB       VAL  72  -5.405   3.124   3.124
  517   1HG1  VAL  72          2HG1      VAL  72  -7.068   0.603   0.603
  518   2HG1  VAL  72          1HG1      VAL  72  -7.706   2.125   2.125
  519   3HG1  VAL  72          3HG1      VAL  72  -6.367   1.327   1.327
  520   1HG2  VAL  72          3HG2      VAL  72  -6.707   2.045   2.045
  521   2HG2  VAL  72          2HG2      VAL  72  -5.909   3.600   3.600
  522   3HG2  VAL  72          1HG2      VAL  72  -7.472   3.292   3.292
  523    H    ALA  73           H        ALA  73  -2.556   2.387   2.387
  524    HA   ALA  73           HA       ALA  73  -2.627   0.803   0.803
  525   1HB   ALA  73          3HB       ALA  73  -2.009   3.355   3.355
  526   2HB   ALA  73          2HB       ALA  73  -0.393   2.641   2.641
  527   3HB   ALA  73          1HB       ALA  73  -1.351   2.527   2.527
  528    H    MET  74           H        MET  74  -1.154   0.483   0.483
  529    HA   MET  74           HA       MET  74   1.221  -0.925  -0.925
  530   1HB   MET  74          2HB       MET  74   0.389  -0.857  -0.857
  531   2HB   MET  74          1HB       MET  74   2.012  -0.832  -0.832
  532   1HG   MET  74          2HG       MET  74   0.015   1.415   1.415
  533   2HG   MET  74          1HG       MET  74   1.683   1.382   1.382
  534   1HE   MET  74          3HE       MET  74   3.221   0.190   0.190
  535   2HE   MET  74          2HE       MET  74   2.749   0.002   0.002
  536   3HE   MET  74          1HE       MET  74   3.822   1.318   1.318
  537    H    PHE  75           H        PHE  75  -1.756  -1.733  -1.733
  538    HA   PHE  75           HA       PHE  75  -1.071  -4.579  -4.579
  539   1HB   PHE  75          2HB       PHE  75  -2.943  -4.756  -4.756
  540   2HB   PHE  75          1HB       PHE  75  -2.571  -3.051  -3.051
  541    HD1  PHE  75           HD2      PHE  75  -3.671  -1.422  -1.422
  542    HD2  PHE  75           HD1      PHE  75  -5.094  -5.365  -5.365
  543    HE1  PHE  75           HE2      PHE  75  -5.903  -0.824  -0.824
  544    HE2  PHE  75           HE1      PHE  75  -7.331  -4.766  -4.766
  545    HZ   PHE  75           HZ       PHE  75  -7.739  -2.495  -2.495
  546    H    LEU  76           H        LEU  76  -2.682  -2.338  -2.338
  547    HA   LEU  76           HA       LEU  76  -4.155  -4.321  -4.321
  548   1HB   LEU  76          2HB       LEU  76  -3.569  -1.427  -1.427
  549   2HB   LEU  76          1HB       LEU  76  -3.790  -2.119  -2.119
  550    HG   LEU  76           HG       LEU  76  -5.725  -2.416  -2.416
  551   1HD1  LEU  76          3HD1      LEU  76  -5.380  -0.172  -0.172
  552   2HD1  LEU  76          2HD1      LEU  76  -6.453  -1.052  -1.052
  553   3HD1  LEU  76          1HD1      LEU  76  -6.964  -0.702  -0.702
  554   1HD2  LEU  76          1HD2      LEU  76  -5.331  -4.091  -4.091
  555   2HD2  LEU  76          3HD2      LEU  76  -6.811  -3.978  -3.978
  556   3HD2  LEU  76          2HD2      LEU  76  -6.641  -3.036  -3.036
  557    H    VAL  77           H        VAL  77  -0.912  -3.088  -3.088
  558    HA   VAL  77           HA       VAL  77  -0.176  -4.188  -4.188
  559    HB   VAL  77           HB       VAL  77   1.266  -2.690  -2.690
  560   1HG1  VAL  77          2HG1      VAL  77   2.310  -4.140  -4.140
  561   2HG1  VAL  77          1HG1      VAL  77   2.907  -2.492  -2.492
  562   3HG1  VAL  77          3HG1      VAL  77   3.137  -3.670  -3.670
  563   1HG2  VAL  77          2HG2      VAL  77  -0.378  -1.427  -1.427
  564   2HG2  VAL  77          1HG2      VAL  77   1.275  -0.852  -0.852
  565   3HG2  VAL  77          3HG2      VAL  77   0.528  -1.886  -1.886
  566    H    TYR  78           H        TYR  78   0.996  -4.499  -4.499
  567    HA   TYR  78           HA       TYR  78   2.618  -6.732  -6.732
  568   1HB   TYR  78          2HB       TYR  78   0.981  -5.408  -5.408
  569   2HB   TYR  78          1HB       TYR  78   1.371  -7.089  -7.089
  570    HD1  TYR  78           HD2      TYR  78   3.953  -7.659  -7.659
  571    HD2  TYR  78           HD1      TYR  78   2.467  -3.883  -3.883
  572    HE1  TYR  78           HE2      TYR  78   6.257  -6.987  -6.987
  573    HE2  TYR  78           HE1      TYR  78   4.770  -3.212  -3.212
  574    HH   TYR  78           HH       TYR  78   7.139  -5.069  -5.069
  575    H    CYS  79           H        CYS  79  -0.878  -6.674  -6.674
  576    HA   CYS  79           HA       CYS  79  -1.169  -9.557  -9.557
  577   1HB   CYS  79          2HB       CYS  79  -2.790  -7.232  -7.232
  578   2HB   CYS  79          1HB       CYS  79  -3.403  -8.308  -8.308
  579    HG   CYS  79           HG       CYS  79  -4.502  -8.961  -8.961
  580    H    ALA  80           H        ALA  80  -0.414  -7.520  -7.520
  581    HA   ALA  80           HA       ALA  80  -1.393  -9.420  -9.420
  582   1HB   ALA  80          2HB       ALA  80  -0.349  -6.678  -6.678
  583   2HB   ALA  80          1HB       ALA  80   0.227  -7.550  -7.550
  584   3HB   ALA  80          3HB       ALA  80  -1.504  -7.358  -7.358
  585    H    LEU  81           H        LEU  81   1.397  -8.950  -8.950
  586    HA   LEU  81           HA       LEU  81   3.263 -10.205 -10.205
  587   1HB   LEU  81          2HB       LEU  81   3.421  -9.284  -9.284
  588   2HB   LEU  81          1HB       LEU  81   4.789  -9.992  -9.992
  589    HG   LEU  81           HG       LEU  81   4.333  -8.211  -8.211
  590   1HD1  LEU  81          1HD1      LEU  81   2.625  -7.271  -7.271
  591   2HD1  LEU  81          3HD1      LEU  81   3.301  -6.131  -6.131
  592   3HD1  LEU  81          2HD1      LEU  81   2.211  -7.408  -7.408
  593   1HD2  LEU  81          1HD2      LEU  81   5.413  -7.673  -7.673
  594   2HD2  LEU  81          3HD2      LEU  81   6.307  -7.931  -7.931
  595   3HD2  LEU  81          2HD2      LEU  81   5.444  -6.415  -6.415
  596    H    GLU  82           H        GLU  82   1.558 -10.963 -10.963
  597    HA   GLU  82           HA       GLU  82   2.628 -13.636 -13.636
  598   1HB   GLU  82          2HB       GLU  82   1.838 -12.564 -12.564
  599   2HB   GLU  82          1HB       GLU  82   0.359 -12.026 -12.026
  600   1HG   GLU  82          2HG       GLU  82  -0.665 -14.095 -14.095
  601   2HG   GLU  82          1HG       GLU  82   0.866 -14.969 -14.969
  602    H    LYS  83           H        LYS  83  -0.594 -12.420 -12.420
  603    HA   LYS  83           HA       LYS  83  -0.909 -14.223 -14.223
  604   1HB   LYS  83          2HB       LYS  83  -0.813 -16.011 -16.011
  605   2HB   LYS  83          1HB       LYS  83  -1.784 -15.146 -15.146
  606   1HG   LYS  83          2HG       LYS  83  -3.757 -15.318 -15.318
  607   2HG   LYS  83          1HG       LYS  83  -2.799 -16.117 -16.117
  608   1HD   LYS  83          2HD       LYS  83  -2.245 -17.667 -17.667
  609   2HD   LYS  83          1HD       LYS  83  -3.925 -17.215 -17.215
  610   1HE   LYS  83          2HE       LYS  83  -4.267 -17.857 -17.857
  611   2HE   LYS  83          1HE       LYS  83  -2.771 -18.784 -18.784
  612   1HZ   LYS  83          1HZ       LYS  83  -5.174 -18.923 -18.923
  613   2HZ   LYS  83          3HZ       LYS  83  -4.722 -20.098 -20.098
  614   3HZ   LYS  83          2HZ       LYS  83  -3.737 -19.804 -19.804
  615    H    GLU  84           H        GLU  84  -2.389 -12.210 -12.210
  616    HA   GLU  84           HA       GLU  84  -5.046 -12.201 -12.201
  617   1HB   GLU  84          2HB       GLU  84  -3.818 -11.465 -11.465
  618   2HB   GLU  84          1HB       GLU  84  -4.370  -9.942  -9.942
  619   1HG   GLU  84          2HG       GLU  84  -6.371 -10.500 -10.500
  620   2HG   GLU  84          1HG       GLU  84  -6.530 -11.552 -11.552
  621    HA   PRO  85           HA       PRO  85  -3.735  -9.198  -9.198
  622   1HB   PRO  85          2HB       PRO  85  -6.060  -9.307  -9.307
  623   2HB   PRO  85          1HB       PRO  85  -4.775 -10.521 -10.521
  624   1HG   PRO  85          2HG       PRO  85  -7.335 -10.660 -10.660
  625   2HG   PRO  85          1HG       PRO  85  -6.502 -11.917 -11.917
  626   1HD   PRO  85          2HD       PRO  85  -6.435 -11.760 -11.760
  627   2HD   PRO  85          1HD       PRO  85  -5.141 -12.490 -12.490
  628    H    VAL  86           H        VAL  86  -5.414  -7.302  -7.302
  629    HA   VAL  86           HA       VAL  86  -6.890  -6.182  -6.182
  630    HB   VAL  86           HB       VAL  86  -4.848  -4.790  -4.790
  631   1HG1  VAL  86          1HG1      VAL  86  -6.844  -3.834  -3.834
  632   2HG1  VAL  86          3HG1      VAL  86  -5.252  -3.074  -3.074
  633   3HG1  VAL  86          2HG1      VAL  86  -6.242  -3.037  -3.037
  634   1HG2  VAL  86          2HG2      VAL  86  -4.623  -6.340  -6.340
  635   2HG2  VAL  86          1HG2      VAL  86  -3.347  -5.532  -5.532
  636   3HG2  VAL  86          3HG2      VAL  86  -4.219  -4.659  -4.659
  637    HA   PRO  87           HA       PRO  87  -9.709  -5.404  -5.404
  638   1HB   PRO  87          2HB       PRO  87 -11.806  -4.620  -4.620
  639   2HB   PRO  87          1HB       PRO  87 -11.346  -6.321  -6.321
  640   1HG   PRO  87          2HG       PRO  87 -10.948  -4.524  -4.524
  641   2HG   PRO  87          1HG       PRO  87 -11.089  -6.286  -6.286
  642   1HD   PRO  87          2HD       PRO  87  -8.719  -4.781  -4.781
  643   2HD   PRO  87          1HD       PRO  87  -8.846  -6.530  -6.530
  644    H    MET  88           H        MET  88 -11.501  -3.333  -3.333
  645    HA   MET  88           HA       MET  88  -9.768  -0.917  -0.917
  646   1HB   MET  88          2HB       MET  88 -11.856  -0.363  -0.363
  647   2HB   MET  88          1HB       MET  88 -10.144  -0.523  -0.523
  648   1HG   MET  88          2HG       MET  88 -10.573  -3.057  -3.057
  649   2HG   MET  88          1HG       MET  88 -12.290  -2.653  -2.653
  650   1HE   MET  88          3HE       MET  88 -12.681  -3.847  -3.847
  651   2HE   MET  88          2HE       MET  88 -12.238  -3.432  -3.432
  652   3HE   MET  88          1HE       MET  88 -11.080  -4.269  -4.269
  653    H    SER  89           H        SER  89 -12.242  -2.404  -2.404
  654    HA   SER  89           HA       SER  89 -13.919   0.051   0.051
  655   1HB   SER  89          2HB       SER  89 -15.614  -1.522  -1.522
  656   2HB   SER  89          1HB       SER  89 -14.957  -2.026  -2.026
  657    HG   SER  89           HG       SER  89 -14.552  -3.830  -3.830
  658    H    LEU  90           H        LEU  90 -13.184   1.249   1.249
  659    HA   LEU  90           HA       LEU  90 -11.834   0.403   0.403
  660   1HB   LEU  90          2HB       LEU  90 -13.001   2.756   2.756
  661   2HB   LEU  90          1HB       LEU  90 -13.557   2.636   2.636
  662    HG   LEU  90           HG       LEU  90 -10.652   2.243   2.243
  663   1HD1  LEU  90          2HD1      LEU  90 -11.893   4.553   4.553
  664   2HD1  LEU  90          1HD1      LEU  90 -11.565   4.869   4.869
  665   3HD1  LEU  90          3HD1      LEU  90 -10.237   4.500   4.500
  666   1HD2  LEU  90          3HD2      LEU  90 -11.447   1.529   1.529
  667   2HD2  LEU  90          2HD2      LEU  90 -10.362   2.914   2.914
  668   3HD2  LEU  90          1HD2      LEU  90 -12.105   3.141   3.141
  669    HA   PRO  91           HA       PRO  91 -15.468  -1.684  -1.684
  670   1HB   PRO  91          2HB       PRO  91 -14.081  -3.164  -3.164
  671   2HB   PRO  91          1HB       PRO  91 -14.243  -3.630  -3.630
  672   1HG   PRO  91          2HG       PRO  91 -11.948  -2.402  -2.402
  673   2HG   PRO  91          1HG       PRO  91 -11.966  -3.560  -3.560
  674   1HD   PRO  91          2HD       PRO  91 -11.473  -0.860  -0.860
  675   2HD   PRO  91          1HD       PRO  91 -12.032  -1.927  -1.927
  676    HA   PRO  92           HA       PRO  92 -16.121   1.002   1.002
  677   1HB   PRO  92          2HB       PRO  92 -18.146  -0.350  -0.350
  678   2HB   PRO  92          1HB       PRO  92 -18.365   0.550   0.550
  679   1HG   PRO  92          2HG       PRO  92 -18.002  -2.373  -2.373
  680   2HG   PRO  92          1HG       PRO  92 -19.072  -1.526  -1.526
  681   1HD   PRO  92          2HD       PRO  92 -16.722  -2.665  -2.665
  682   2HD   PRO  92          1HD       PRO  92 -17.417  -1.244  -1.244
  683    H    ALA  93           H        ALA  93 -14.835  -2.091  -2.091
  684    HA   ALA  93           HA       ALA  93 -14.832  -2.029  -2.029
  685   1HB   ALA  93          2HB       ALA  93 -14.784  -3.993  -3.993
  686   2HB   ALA  93          1HB       ALA  93 -13.262  -4.134  -4.134
  687   3HB   ALA  93          3HB       ALA  93 -14.796  -4.268  -4.268
  688    H    LEU  94           H        LEU  94 -12.843  -1.346  -1.346
  689    HA   LEU  94           HA       LEU  94 -10.361  -1.157  -1.157
  690   1HB   LEU  94          2HB       LEU  94 -10.009  -2.296  -2.296
  691   2HB   LEU  94          1HB       LEU  94 -11.175  -1.305  -1.305
  692    HG   LEU  94           HG       LEU  94  -8.719  -0.934  -0.934
  693   1HD1  LEU  94          1HD1      LEU  94 -10.912   0.807   0.807
  694   2HD1  LEU  94          3HD1      LEU  94  -9.533   1.719   1.719
  695   3HD1  LEU  94          2HD1      LEU  94  -9.470   1.023   1.023
  696   1HD2  LEU  94          2HD2      LEU  94  -8.633  -0.520  -0.520
  697   2HD2  LEU  94          1HD2      LEU  94  -7.299  -0.494  -0.494
  698   3HD2  LEU  94          3HD2      LEU  94  -8.192   0.984   0.984
  699    H    VAL  95           H        VAL  95 -12.928   0.765   0.765
  700    HA   VAL  95           HA       VAL  95 -11.369   3.265   3.265
  701    HB   VAL  95           HB       VAL  95 -13.309   2.561   2.561
  702   1HG1  VAL  95          2HG1      VAL  95 -14.724   1.678   1.678
  703   2HG1  VAL  95          1HG1      VAL  95 -14.910   3.323   3.323
  704   3HG1  VAL  95          3HG1      VAL  95 -15.569   2.887   2.887
  705   1HG2  VAL  95          3HG2      VAL  95 -13.286   5.172   5.172
  706   2HG2  VAL  95          2HG2      VAL  95 -12.672   4.847   4.847
  707   3HG2  VAL  95          1HG2      VAL  95 -14.411   4.885   4.885
  708    HA   PRO  96           HA       PRO  96 -12.051   4.168   4.168
  709   1HB   PRO  96          2HB       PRO  96 -11.302   6.800   6.800
  710   2HB   PRO  96          1HB       PRO  96 -10.136   5.463   5.463
  711   1HG   PRO  96          2HG       PRO  96 -11.172   7.139   7.139
  712   2HG   PRO  96          1HG       PRO  96  -9.542   6.505   6.505
  713   1HD   PRO  96          2HD       PRO  96 -11.317   5.406   5.406
  714   2HD   PRO  96          1HD       PRO  96 -10.029   4.482   4.482
  715    HA   PRO  97           HA       PRO  97 -15.927   6.210   6.210
  716   1HB   PRO  97          2HB       PRO  97 -15.717   7.759   7.759
  717   2HB   PRO  97          1HB       PRO  97 -15.829   5.989   5.989
  718   1HG   PRO  97          2HG       PRO  97 -13.440   7.741   7.741
  719   2HG   PRO  97          1HG       PRO  97 -13.845   6.248   6.248
  720   1HD   PRO  97          2HD       PRO  97 -12.068   6.371   6.371
  721   2HD   PRO  97          1HD       PRO  97 -12.998   4.915   4.915
  722    H    SER  98           H        SER  98 -13.158   7.966   7.966
  723    HA   SER  98           HA       SER  98 -14.399  10.632  10.632
  724   1HB   SER  98          2HB       SER  98 -11.860   9.934   9.934
  725   2HB   SER  98          1HB       SER  98 -12.232  11.350  11.350
  726    HG   SER  98           HG       SER  98 -10.797   9.767   9.767
  727    H    LYS  99           H        LYS  99 -14.145   7.920   7.920
  728    HA   LYS  99           HA       LYS  99 -14.642   9.516   9.516
  729   1HB   LYS  99          2HB       LYS  99 -13.200   7.362   7.362
  730   2HB   LYS  99          1HB       LYS  99 -14.747   6.515   6.515
  731   1HG   LYS  99          2HG       LYS  99 -13.964   6.536   6.536
  732   2HG   LYS  99          1HG       LYS  99 -15.247   7.742   7.742
  733   1HD   LYS  99          2HD       LYS  99 -12.994   9.193   9.193
  734   2HD   LYS  99          1HD       LYS  99 -12.390   8.100   8.100
  735   1HE   LYS  99          2HE       LYS  99 -13.506   9.213   9.213
  736   2HE   LYS  99          1HE       LYS  99 -15.004   9.252   9.252
  737   1HZ   LYS  99          2HZ       LYS  99 -12.702  10.898  10.898
  738   2HZ   LYS  99          1HZ       LYS  99 -13.724  11.451  11.451
  739   3HZ   LYS  99          3HZ       LYS  99 -14.355  11.142  11.142
  740    H    ARG 100           H        ARG 100 -16.487   8.457   8.457
  741    HA   ARG 100           HA       ARG 100 -18.819   7.449   7.449
  742   1HB   ARG 100          2HB       ARG 100 -17.955   8.055   8.055
  743   2HB   ARG 100          1HB       ARG 100 -19.690   8.194   8.194
  744   1HG   ARG 100          2HG       ARG 100 -19.689   5.945   5.945
  745   2HG   ARG 100          1HG       ARG 100 -19.136   5.864   5.864
  746   1HD   ARG 100          2HD       ARG 100 -16.756   6.272   6.272
  747   2HD   ARG 100          1HD       ARG 100 -17.610   5.406   5.406
  748    HE   ARG 100           HE       ARG 100 -16.905   4.300   4.300
  749   1HH1  ARG 100          1HH2      ARG 100 -17.308   3.329   3.329
  750   2HH1  ARG 100          2HH2      ARG 100 -18.402   2.022   2.022
  751   1HH2  ARG 100          2HH1      ARG 100 -19.015   2.959   2.959
  752   2HH2  ARG 100          1HH1      ARG 100 -19.368   1.812   1.812

  Start of MODEL    2
    1    HA   PRO   6           HA       PRO   6 -14.413  -0.421  -0.421
    2   1HB   PRO   6          2HB       PRO   6 -12.525  -2.380  -2.380
    3   2HB   PRO   6          1HB       PRO   6 -13.888  -2.176  -2.176
    4   1HG   PRO   6          2HG       PRO   6 -13.535  -4.125  -4.125
    5   2HG   PRO   6          1HG       PRO   6 -14.285  -4.345  -4.345
    6   1HD   PRO   6          2HD       PRO   6 -15.699  -3.992  -3.992
    7   2HD   PRO   6          1HD       PRO   6 -16.310  -3.554  -3.554
    8    H    TRP   7           H        TRP   7 -11.755  -0.641  -0.641
    9    HA   TRP   7           HA       TRP   7 -11.622   0.036   0.036
   10   1HB   TRP   7          2HB       TRP   7 -10.582   1.359   1.359
   11   2HB   TRP   7          1HB       TRP   7  -9.497   0.003   0.003
   12    HD1  TRP   7           HD1      TRP   7 -10.279   0.431   0.431
   13    HE1  TRP   7           HE1      TRP   7  -8.286   1.492   1.492
   14    HE3  TRP   7           HE3      TRP   7  -7.459   1.900   1.900
   15    HZ2  TRP   7           HZ2      TRP   7  -5.820   2.798   2.798
   16    HZ3  TRP   7           HZ3      TRP   7  -5.293   3.052   3.052
   17    HH2  TRP   7           HH2      TRP   7  -4.470   3.501   3.501
   18    H    ALA   8           H        ALA   8 -11.186  -1.561  -1.561
   19    HA   ALA   8           HA       ALA   8 -10.577  -4.221  -4.221
   20   1HB   ALA   8          3HB       ALA   8 -10.525  -2.287  -2.287
   21   2HB   ALA   8          2HB       ALA   8  -8.988  -3.147  -3.147
   22   3HB   ALA   8          1HB       ALA   8 -10.508  -4.040  -4.040
   23    H    VAL   9           H        VAL   9  -8.397  -1.489  -1.489
   24    HA   VAL   9           HA       VAL   9  -6.027  -3.239  -3.239
   25    HB   VAL   9           HB       VAL   9  -6.472  -0.236  -0.236
   26   1HG1  VAL   9          2HG1      VAL   9  -4.481  -0.932  -0.932
   27   2HG1  VAL   9          1HG1      VAL   9  -3.892  -1.829  -1.829
   28   3HG1  VAL   9          3HG1      VAL   9  -4.024  -0.072  -0.072
   29   1HG2  VAL   9          3HG2      VAL   9  -6.883  -1.399  -1.399
   30   2HG2  VAL   9          2HG2      VAL   9  -5.517  -0.282  -0.282
   31   3HG2  VAL   9          1HG2      VAL   9  -5.232  -2.018  -2.018
   32    H    LYS  10           H        LYS  10  -4.717  -3.079  -3.079
   33    HA   LYS  10           HA       LYS  10  -6.317  -2.275  -2.275
   34   1HB   LYS  10          2HB       LYS  10  -5.151  -4.806  -4.806
   35   2HB   LYS  10          1HB       LYS  10  -4.578  -4.343  -4.343
   36   1HG   LYS  10          2HG       LYS  10  -6.653  -4.545  -4.545
   37   2HG   LYS  10          1HG       LYS  10  -7.485  -3.990  -3.990
   38   1HD   LYS  10          2HD       LYS  10  -6.872  -6.200  -6.200
   39   2HD   LYS  10          1HD       LYS  10  -6.318  -6.738  -6.738
   40   1HE   LYS  10          2HE       LYS  10  -8.785  -5.768  -5.768
   41   2HE   LYS  10          1HE       LYS  10  -9.084  -6.369  -6.369
   42   1HZ   LYS  10          2HZ       LYS  10  -7.543  -7.947  -7.947
   43   2HZ   LYS  10          1HZ       LYS  10  -9.237  -8.052  -8.052
   44   3HZ   LYS  10          3HZ       LYS  10  -8.298  -8.482  -8.482
   45    HA   PRO  11           HA       PRO  11  -2.795  -0.174  -0.174
   46   1HB   PRO  11          2HB       PRO  11  -2.291  -1.294  -1.294
   47   2HB   PRO  11          1HB       PRO  11  -3.665  -0.212  -0.212
   48   1HG   PRO  11          2HG       PRO  11  -3.593  -3.194  -3.194
   49   2HG   PRO  11          1HG       PRO  11  -4.791  -2.070  -2.070
   50   1HD   PRO  11          2HD       PRO  11  -5.222  -3.415  -3.415
   51   2HD   PRO  11          1HD       PRO  11  -5.838  -1.766  -1.766
   52    H    GLU  12           H        GLU  12  -2.534  -3.706  -3.706
   53    HA   GLU  12           HA       GLU  12   0.357  -3.776  -3.776
   54   1HB   GLU  12          2HB       GLU  12  -1.418  -5.951  -5.951
   55   2HB   GLU  12          1HB       GLU  12   0.040  -6.123  -6.123
   56   1HG   GLU  12          2HG       GLU  12  -1.547  -4.661  -4.661
   57   2HG   GLU  12          1HG       GLU  12  -2.747  -5.650  -5.650
   58    H    ASP  13           H        ASP  13  -2.015  -3.879  -3.879
   59    HA   ASP  13           HA       ASP  13   0.036  -4.280  -4.280
   60   1HB   ASP  13          2HB       ASP  13  -2.920  -4.121  -4.121
   61   2HB   ASP  13          1HB       ASP  13  -2.275  -3.554  -3.554
   62    H    LYS  14           H        LYS  14  -1.863  -1.682  -1.682
   63    HA   LYS  14           HA       LYS  14  -1.008   0.345   0.345
   64   1HB   LYS  14          2HB       LYS  14  -3.124   0.616   0.616
   65   2HB   LYS  14          1HB       LYS  14  -2.425   0.309   0.309
   66   1HG   LYS  14          2HG       LYS  14  -2.712   2.660   2.660
   67   2HG   LYS  14          1HG       LYS  14  -0.998   2.412   2.412
   68   1HD   LYS  14          2HD       LYS  14  -1.311   2.734   2.734
   69   2HD   LYS  14          1HD       LYS  14  -3.066   2.645   2.645
   70   1HE   LYS  14          2HE       LYS  14  -2.789   4.957   4.957
   71   2HE   LYS  14          1HE       LYS  14  -2.639   4.699   4.699
   72   1HZ   LYS  14          1HZ       LYS  14  -0.336   4.549   4.549
   73   2HZ   LYS  14          3HZ       LYS  14  -0.766   5.974   5.974
   74   3HZ   LYS  14          2HZ       LYS  14  -0.299   4.600   4.600
   75    H    ALA  15           H        ALA  15   0.202  -1.097  -1.097
   76    HA   ALA  15           HA       ALA  15   1.900   1.052   1.052
   77   1HB   ALA  15          2HB       ALA  15   1.623  -1.914  -1.914
   78   2HB   ALA  15          1HB       ALA  15   3.098  -1.137  -1.137
   79   3HB   ALA  15          3HB       ALA  15   1.529  -0.627  -0.627
   80    H    LYS  16           H        LYS  16   2.387  -1.736  -1.736
   81    HA   LYS  16           HA       LYS  16   5.172  -1.098  -1.098
   82   1HB   LYS  16          2HB       LYS  16   5.075  -3.119  -3.119
   83   2HB   LYS  16          1HB       LYS  16   3.499  -3.257  -3.257
   84   1HG   LYS  16          2HG       LYS  16   2.358  -2.557  -2.557
   85   2HG   LYS  16          1HG       LYS  16   3.835  -1.952  -1.952
   86   1HD   LYS  16          2HD       LYS  16   3.686  -3.976  -3.976
   87   2HD   LYS  16          1HD       LYS  16   4.596  -4.490  -4.490
   88   1HE   LYS  16          2HE       LYS  16   2.337  -4.995  -4.995
   89   2HE   LYS  16          1HE       LYS  16   1.628  -4.806  -4.806
   90   1HZ   LYS  16          3HZ       LYS  16   3.426  -6.356  -6.356
   91   2HZ   LYS  16          2HZ       LYS  16   3.748  -6.701  -6.701
   92   3HZ   LYS  16          1HZ       LYS  16   2.228  -7.069  -7.069
   93    H    TYR  17           H        TYR  17   2.047  -0.271  -0.271
   94    HA   TYR  17           HA       TYR  17   2.967   0.925   0.925
   95   1HB   TYR  17          2HB       TYR  17   0.557   1.513   1.513
   96   2HB   TYR  17          1HB       TYR  17   0.718   1.971   1.971
   97    HD1  TYR  17           HD2      TYR  17   2.381  -1.000  -1.000
   98    HD2  TYR  17           HD1      TYR  17  -1.612   0.486   0.486
   99    HE1  TYR  17           HE2      TYR  17   1.469  -3.202  -3.202
  100    HE2  TYR  17           HE1      TYR  17  -2.530  -1.713  -1.713
  101    HH   TYR  17           HH       TYR  17  -0.599  -4.132  -4.132
  102    H    ASP  18           H        ASP  18   2.432   2.110   2.110
  103    HA   ASP  18           HA       ASP  18   2.924   4.898   4.898
  104   1HB   ASP  18          2HB       ASP  18   1.724   3.875   3.875
  105   2HB   ASP  18          1HB       ASP  18   3.287   3.321   3.321
  106    H    ALA  19           H        ALA  19   5.021   2.211   2.211
  107    HA   ALA  19           HA       ALA  19   7.392   3.864   3.864
  108   1HB   ALA  19          2HB       ALA  19   6.905   0.914   0.914
  109   2HB   ALA  19          1HB       ALA  19   8.509   1.580   1.580
  110   3HB   ALA  19          3HB       ALA  19   7.264   1.661   1.661
  111    H    ILE  20           H        ILE  20   5.836   2.137   2.137
  112    HA   ILE  20           HA       ILE  20   7.932   2.640   2.640
  113    HB   ILE  20           HB       ILE  20   5.098   1.585   1.585
  114   1HG1  ILE  20          2HG1      ILE  20   7.593   0.255   0.255
  115   2HG1  ILE  20          1HG1      ILE  20   7.199   0.239   0.239
  116   1HG2  ILE  20          3HG2      ILE  20   5.478   2.944   2.944
  117   2HG2  ILE  20          2HG2      ILE  20   6.772   1.822   1.822
  118   3HG2  ILE  20          1HG2      ILE  20   5.111   1.246   1.246
  119   1HD1  ILE  20          1HD1      ILE  20   4.801  -0.491  -0.491
  120   2HD1  ILE  20          3HD1      ILE  20   5.888  -1.177  -1.177
  121   3HD1  ILE  20          2HD1      ILE  20   6.039  -1.651  -1.651
  122    H    PHE  21           H        PHE  21   4.948   4.077   4.077
  123    HA   PHE  21           HA       PHE  21   4.581   6.016   6.016
  124   1HB   PHE  21          2HB       PHE  21   2.674   5.704   5.704
  125   2HB   PHE  21          1HB       PHE  21   3.591   5.412   5.412
  126    HD1  PHE  21           HD2      PHE  21   4.781   7.431   7.431
  127    HD2  PHE  21           HD1      PHE  21   1.675   7.804   7.804
  128    HE1  PHE  21           HE2      PHE  21   4.370   9.762   9.762
  129    HE2  PHE  21           HE1      PHE  21   1.264  10.139  10.139
  130    HZ   PHE  21           HZ       PHE  21   2.616  11.114  11.114
  131    H    ASP  22           H        ASP  22   6.287   5.957   5.957
  132    HA   ASP  22           HA       ASP  22   7.233   8.738   8.738
  133   1HB   ASP  22          2HB       ASP  22   6.569   8.071   8.071
  134   2HB   ASP  22          1HB       ASP  22   7.476   6.557   6.557
  135    H    SER  23           H        SER  23   8.126   5.821   5.821
  136    HA   SER  23           HA       SER  23  11.062   6.197   6.197
  137   1HB   SER  23          2HB       SER  23   9.196   4.056   4.056
  138   2HB   SER  23          1HB       SER  23  10.358   4.135   4.135
  139    HG   SER  23           HG       SER  23  11.281   4.376   4.376
  140    H    LEU  24           H        LEU  24   8.664   7.534   7.534
  141    HA   LEU  24           HA       LEU  24  10.278   7.768   7.768
  142   1HB   LEU  24          2HB       LEU  24   7.441   8.622   8.622
  143   2HB   LEU  24          1HB       LEU  24   8.284   7.649   7.649
  144    HG   LEU  24           HG       LEU  24   7.433   6.607   6.607
  145   1HD1  LEU  24          2HD1      LEU  24   6.068   6.402   6.402
  146   2HD1  LEU  24          1HD1      LEU  24   5.608   5.474   5.474
  147   3HD1  LEU  24          3HD1      LEU  24   5.447   7.229   7.229
  148   1HD2  LEU  24          1HD2      LEU  24   8.850   5.542   5.542
  149   2HD2  LEU  24          3HD2      LEU  24   8.950   5.036   5.036
  150   3HD2  LEU  24          2HD2      LEU  24   7.611   4.486   4.486
  151    H    SER  25           H        SER  25   9.470   9.319   9.319
  152    HA   SER  25           HA       SER  25   9.920  11.560  11.560
  153   1HB   SER  25          2HB       SER  25  10.048  12.400  12.400
  154   2HB   SER  25          1HB       SER  25  10.990  12.977  12.977
  155    HG   SER  25           HG       SER  25  12.048  10.938  10.938
  156    HA   PRO  26           HA       PRO  26   5.494  12.068  12.068
  157   1HB   PRO  26          2HB       PRO  26   4.747  12.481  12.481
  158   2HB   PRO  26          1HB       PRO  26   4.948  10.861  10.861
  159   1HG   PRO  26          2HG       PRO  26   6.780  12.411  12.411
  160   2HG   PRO  26          1HG       PRO  26   6.430  10.675  10.675
  161   1HD   PRO  26          2HD       PRO  26   8.683  11.789  11.789
  162   2HD   PRO  26          1HD       PRO  26   7.979  10.248  10.248
  163    H    VAL  27           H        VAL  27   4.355  14.000  14.000
  164    HA   VAL  27           HA       VAL  27   5.790  16.453  16.453
  165    HB   VAL  27           HB       VAL  27   3.871  16.067  16.067
  166   1HG1  VAL  27          2HG1      VAL  27   5.614  18.350  18.350
  167   2HG1  VAL  27          1HG1      VAL  27   4.998  18.261  18.261
  168   3HG1  VAL  27          3HG1      VAL  27   3.875  18.359  18.359
  169   1HG2  VAL  27          1HG2      VAL  27   6.860  15.848  15.848
  170   2HG2  VAL  27          3HG2      VAL  27   5.744  14.849  14.849
  171   3HG2  VAL  27          2HG2      VAL  27   6.162  16.467  16.467
  172    H    ASN  28           H        ASN  28   4.708  16.992  16.992
  173    HA   ASN  28           HA       ASN  28   2.904  17.611  17.611
  174   1HB   ASN  28          2HB       ASN  28   2.571  19.305  19.305
  175   2HB   ASN  28          1HB       ASN  28   1.900  18.144  18.144
  176   1HD2  ASN  28          1HD2      ASN  28  -0.353  17.883  17.883
  177   2HD2  ASN  28          2HD2      ASN  28  -1.381  18.497  18.497
  178    H    GLY  29           H        GLY  29   3.161  14.798  14.798
  179   1HA   GLY  29          2HA       GLY  29   1.924  12.848  12.848
  180   2HA   GLY  29          1HA       GLY  29   0.497  13.861  13.861
  181    H    PHE  30           H        PHE  30   2.584  13.836  13.836
  182    HA   PHE  30           HA       PHE  30   0.501  12.404  12.404
  183   1HB   PHE  30          2HB       PHE  30   1.395  15.270  15.270
  184   2HB   PHE  30          1HB       PHE  30   0.518  14.373  14.373
  185    HD1  PHE  30           HD2      PHE  30  -1.756  13.504  13.504
  186    HD2  PHE  30           HD1      PHE  30   0.297  16.054  16.054
  187    HE1  PHE  30           HE2      PHE  30  -3.899  13.960  13.960
  188    HE2  PHE  30           HE1      PHE  30  -1.832  16.505  16.505
  189    HZ   PHE  30           HZ       PHE  30  -3.939  15.462  15.462
  190    H    LEU  31           H        LEU  31   1.251  11.787  11.787
  191    HA   LEU  31           HA       LEU  31   4.185  12.110  12.110
  192   1HB   LEU  31          2HB       LEU  31   2.535   9.563   9.563
  193   2HB   LEU  31          1HB       LEU  31   4.164   9.661   9.661
  194    HG   LEU  31           HG       LEU  31   3.723  10.712  10.712
  195   1HD1  LEU  31          2HD1      LEU  31   3.721   7.804   7.804
  196   2HD1  LEU  31          1HD1      LEU  31   4.291   8.313   8.313
  197   3HD1  LEU  31          3HD1      LEU  31   2.627   8.635   8.635
  198   1HD2  LEU  31          3HD2      LEU  31   5.906   9.889   9.889
  199   2HD2  LEU  31          2HD2      LEU  31   5.950  10.915  10.915
  200   3HD2  LEU  31          1HD2      LEU  31   6.031   9.159   9.159
  201    H    SER  32           H        SER  32   4.576  12.604  12.604
  202    HA   SER  32           HA       SER  32   2.321  12.937  12.937
  203   1HB   SER  32          2HB       SER  32   4.766  13.313  13.313
  204   2HB   SER  32          1HB       SER  32   3.749  14.558  14.558
  205    HG   SER  32           HG       SER  32   5.729  14.711  14.711
  206    H    GLY  33           H        GLY  33   1.835  11.681  11.681
  207   1HA   GLY  33          2HA       GLY  33   2.384   8.964   8.964
  208   2HA   GLY  33          1HA       GLY  33   2.031   9.912   9.912
  209    H    ASP  34           H        ASP  34   4.477  11.608  11.608
  210    HA   ASP  34           HA       ASP  34   6.342  10.128  10.128
  211   1HB   ASP  34          2HB       ASP  34   5.926  12.677  12.677
  212   2HB   ASP  34          1HB       ASP  34   7.041  12.464  12.464
  213    H    LYS  35           H        LYS  35   5.627   9.952   9.952
  214    HA   LYS  35           HA       LYS  35   8.345   8.863   8.863
  215   1HB   LYS  35          2HB       LYS  35   6.246   9.627   9.627
  216   2HB   LYS  35          1HB       LYS  35   7.999   9.681   9.681
  217   1HG   LYS  35          2HG       LYS  35   8.068  11.554  11.554
  218   2HG   LYS  35          1HG       LYS  35   6.306  11.512  11.512
  219   1HD   LYS  35          2HD       LYS  35   6.999  13.257  13.257
  220   2HD   LYS  35          1HD       LYS  35   6.198  11.956  11.956
  221   1HE   LYS  35          2HE       LYS  35   8.060  12.090  12.090
  222   2HE   LYS  35          1HE       LYS  35   8.800  11.103  11.103
  223   1HZ   LYS  35          3HZ       LYS  35   9.208  13.292  13.292
  224   2HZ   LYS  35          2HZ       LYS  35   8.866  14.046  14.046
  225   3HZ   LYS  35          1HZ       LYS  35  10.178  12.974  12.974
  226    H    VAL  36           H        VAL  36   4.869   8.415   8.415
  227    HA   VAL  36           HA       VAL  36   5.115   5.776   5.776
  228    HB   VAL  36           HB       VAL  36   2.823   7.292   7.292
  229   1HG1  VAL  36          3HG1      VAL  36   3.028   4.595   4.595
  230   2HG1  VAL  36          2HG1      VAL  36   1.924   5.521   5.521
  231   3HG1  VAL  36          1HG1      VAL  36   1.639   5.406   5.406
  232   1HG2  VAL  36          2HG2      VAL  36   3.848   7.078   7.078
  233   2HG2  VAL  36          1HG2      VAL  36   3.707   8.537   8.537
  234   3HG2  VAL  36          3HG2      VAL  36   2.255   7.719   7.719
  235    H    LYS  37           H        LYS  37   4.114   7.009   7.009
  236    HA   LYS  37           HA       LYS  37   3.384   4.648   4.648
  237   1HB   LYS  37          2HB       LYS  37   3.476   7.040   7.040
  238   2HB   LYS  37          1HB       LYS  37   5.172   6.744   6.744
  239   1HG   LYS  37          2HG       LYS  37   4.145   4.554   4.554
  240   2HG   LYS  37          1HG       LYS  37   2.723   5.591   5.591
  241   1HD   LYS  37          2HD       LYS  37   4.186   7.353   7.353
  242   2HD   LYS  37          1HD       LYS  37   5.489   6.164   6.164
  243   1HE   LYS  37          2HE       LYS  37   4.187   4.697   4.697
  244   2HE   LYS  37          1HE       LYS  37   2.771   5.760   5.760
  245   1HZ   LYS  37          2HZ       LYS  37   5.403   6.748   6.748
  246   2HZ   LYS  37          1HZ       LYS  37   4.244   6.127   6.127
  247   3HZ   LYS  37          3HZ       LYS  37   3.887   7.500   7.500
  248    HA   PRO  38           HA       PRO  38   7.970   3.605   3.605
  249   1HB   PRO  38          2HB       PRO  38   9.870   4.780   4.780
  250   2HB   PRO  38          1HB       PRO  38   9.356   5.466   5.466
  251   1HG   PRO  38          2HG       PRO  38   8.528   6.212   6.212
  252   2HG   PRO  38          1HG       PRO  38   8.887   7.252   7.252
  253   1HD   PRO  38          2HD       PRO  38   6.365   6.683   6.683
  254   2HD   PRO  38          1HD       PRO  38   6.806   6.965   6.965
  255    H    VAL  39           H        VAL  39   7.105   4.486   4.486
  256    HA   VAL  39           HA       VAL  39   8.442   2.396   2.396
  257    HB   VAL  39           HB       VAL  39   6.142   4.280   4.280
  258   1HG1  VAL  39          1HG1      VAL  39   6.379   1.697   1.697
  259   2HG1  VAL  39          3HG1      VAL  39   6.408   3.054   3.054
  260   3HG1  VAL  39          2HG1      VAL  39   5.050   2.857   2.857
  261   1HG2  VAL  39          2HG2      VAL  39   8.764   4.546   4.546
  262   2HG2  VAL  39          1HG2      VAL  39   7.579   5.327   5.327
  263   3HG2  VAL  39          3HG2      VAL  39   8.338   3.815   3.815
  264    H    LEU  40           H        LEU  40   5.535   2.506   2.506
  265    HA   LEU  40           HA       LEU  40   4.518  -0.072  -0.072
  266   1HB   LEU  40          2HB       LEU  40   3.766   1.756   1.756
  267   2HB   LEU  40          1HB       LEU  40   2.828   0.355   0.355
  268    HG   LEU  40           HG       LEU  40   3.373   2.891   2.891
  269   1HD1  LEU  40          2HD1      LEU  40   1.055   1.581   1.581
  270   2HD1  LEU  40          1HD1      LEU  40   0.739   2.336   2.336
  271   3HD1  LEU  40          3HD1      LEU  40   1.396   3.297   3.297
  272   1HD2  LEU  40          3HD2      LEU  40   2.376   0.210   0.210
  273   2HD2  LEU  40          2HD2      LEU  40   3.765   1.126   1.126
  274   3HD2  LEU  40          1HD2      LEU  40   2.124   1.717   1.717
  275    H    LEU  41           H        LEU  41   6.786   1.057   1.057
  276    HA   LEU  41           HA       LEU  41   6.576  -1.180  -1.180
  277   1HB   LEU  41          2HB       LEU  41   8.466   1.098   1.098
  278   2HB   LEU  41          1HB       LEU  41   8.938  -0.186  -0.186
  279    HG   LEU  41           HG       LEU  41   6.275   1.191   1.191
  280   1HD1  LEU  41          1HD1      LEU  41   8.704   2.542   2.542
  281   2HD1  LEU  41          3HD1      LEU  41   8.362   2.111   2.111
  282   3HD1  LEU  41          2HD1      LEU  41   7.192   3.051   3.051
  283   1HD2  LEU  41          1HD2      LEU  41   7.928  -0.749  -0.749
  284   2HD2  LEU  41          3HD2      LEU  41   6.184  -0.490  -0.490
  285   3HD2  LEU  41          2HD2      LEU  41   7.254   0.536   0.536
  286    H    ASN  42           H        ASN  42   8.258  -0.426  -0.426
  287    HA   ASN  42           HA       ASN  42  10.291  -2.441  -2.441
  288   1HB   ASN  42          2HB       ASN  42   8.779  -1.227  -1.227
  289   2HB   ASN  42          1HB       ASN  42  10.330  -2.060  -2.060
  290   1HD2  ASN  42          1HD2      ASN  42   8.741   0.879   0.879
  291   2HD2  ASN  42          2HD2      ASN  42  10.166   1.762   1.762
  292    H    SER  43           H        SER  43   6.884  -2.635  -2.635
  293    HA   SER  43           HA       SER  43   6.708  -5.074  -5.074
  294   1HB   SER  43          2HB       SER  43   4.670  -4.086  -4.086
  295   2HB   SER  43          1HB       SER  43   5.007  -3.194  -3.194
  296    HG   SER  43           HG       SER  43   4.520  -5.077  -5.077
  297    H    LYS  44           H        LYS  44   7.955  -4.533  -4.533
  298    HA   LYS  44           HA       LYS  44   8.598  -6.054  -6.054
  299   1HB   LYS  44          2HB       LYS  44   8.351  -7.499  -7.499
  300   2HB   LYS  44          1HB       LYS  44   7.295  -8.378  -8.378
  301   1HG   LYS  44          2HG       LYS  44   9.077  -8.682  -8.682
  302   2HG   LYS  44          1HG       LYS  44  10.131  -7.580  -7.580
  303   1HD   LYS  44          2HD       LYS  44  10.678  -9.974  -9.974
  304   2HD   LYS  44          1HD       LYS  44  10.194  -9.116  -9.116
  305   1HE   LYS  44          2HE       LYS  44   8.005 -10.096 -10.096
  306   2HE   LYS  44          1HE       LYS  44   8.242 -10.724 -10.724
  307   1HZ   LYS  44          1HZ       LYS  44   9.954 -11.443 -11.443
  308   2HZ   LYS  44          3HZ       LYS  44   8.661 -12.395 -12.395
  309   3HZ   LYS  44          2HZ       LYS  44   9.999 -12.125 -12.125
  310    H    LEU  45           H        LEU  45   5.735  -4.863  -4.863
  311    HA   LEU  45           HA       LEU  45   4.141  -6.742  -6.742
  312   1HB   LEU  45          2HB       LEU  45   3.634  -4.415  -4.415
  313   2HB   LEU  45          1HB       LEU  45   2.415  -4.842  -4.842
  314    HG   LEU  45           HG       LEU  45   3.587  -6.756  -6.756
  315   1HD1  LEU  45          2HD1      LEU  45   1.914  -4.760  -4.760
  316   2HD1  LEU  45          1HD1      LEU  45   0.727  -5.898  -5.898
  317   3HD1  LEU  45          3HD1      LEU  45   1.754  -6.359  -6.359
  318   1HD2  LEU  45          2HD2      LEU  45   2.410  -7.309  -7.309
  319   2HD2  LEU  45          1HD2      LEU  45   2.461  -8.413  -8.413
  320   3HD2  LEU  45          3HD2      LEU  45   1.047  -7.395  -7.395
  321    HA   PRO  46           HA       PRO  46   4.510  -4.196  -4.196
  322   1HB   PRO  46          2HB       PRO  46   2.032  -4.495  -4.495
  323   2HB   PRO  46          1HB       PRO  46   3.264  -5.772  -5.772
  324   1HG   PRO  46          2HG       PRO  46   0.862  -5.473  -5.473
  325   2HG   PRO  46          1HG       PRO  46   1.615  -6.935  -6.935
  326   1HD   PRO  46          2HD       PRO  46   1.898  -6.066  -6.066
  327   2HD   PRO  46          1HD       PRO  46   3.044  -7.133  -7.133
  328    H    VAL  47           H        VAL  47   3.525  -2.228  -2.228
  329    HA   VAL  47           HA       VAL  47   2.818  -0.221  -0.221
  330    HB   VAL  47           HB       VAL  47   2.885  -0.448  -0.448
  331   1HG1  VAL  47          3HG1      VAL  47   2.148   1.994   1.994
  332   2HG1  VAL  47          2HG1      VAL  47   2.485   2.003   2.003
  333   3HG1  VAL  47          1HG1      VAL  47   1.081   1.134   1.134
  334   1HG2  VAL  47          3HG2      VAL  47   4.854  -0.105  -0.105
  335   2HG2  VAL  47          2HG2      VAL  47   4.965   0.467   0.467
  336   3HG2  VAL  47          1HG2      VAL  47   4.459   1.570   1.570
  337    H    ASP  48           H        ASP  48   0.925  -2.648  -2.648
  338    HA   ASP  48           HA       ASP  48  -1.565  -1.166  -1.166
  339   1HB   ASP  48          2HB       ASP  48  -0.528  -3.904  -3.904
  340   2HB   ASP  48          1HB       ASP  48  -2.184  -3.819  -3.819
  341    H    ILE  49           H        ILE  49  -0.024  -3.229  -3.229
  342    HA   ILE  49           HA       ILE  49  -2.165  -3.197  -3.197
  343    HB   ILE  49           HB       ILE  49   0.822  -3.333  -3.333
  344   1HG1  ILE  49          2HG1      ILE  49   0.398  -4.890  -4.890
  345   2HG1  ILE  49          1HG1      ILE  49   0.492  -5.826  -5.826
  346   1HG2  ILE  49          3HG2      ILE  49  -1.357  -3.436  -3.436
  347   2HG2  ILE  49          2HG2      ILE  49  -0.963  -5.135  -5.135
  348   3HG2  ILE  49          1HG2      ILE  49   0.265  -4.031  -4.031
  349   1HD1  ILE  49          3HD1      ILE  49  -2.120  -4.839  -4.839
  350   2HD1  ILE  49          2HD1      ILE  49  -1.446  -6.431  -6.431
  351   3HD1  ILE  49          1HD1      ILE  49  -1.898  -6.004  -6.004
  352    H    LEU  50           H        LEU  50   0.735  -1.251  -1.251
  353    HA   LEU  50           HA       LEU  50   0.341   0.568   0.568
  354   1HB   LEU  50          2HB       LEU  50   1.713   1.134   1.134
  355   2HB   LEU  50          1HB       LEU  50   2.148   1.746   1.746
  356    HG   LEU  50           HG       LEU  50   2.573  -1.005  -1.005
  357   1HD1  LEU  50          3HD1      LEU  50   4.271   1.021   1.021
  358   2HD1  LEU  50          2HD1      LEU  50   4.824  -0.605  -0.605
  359   3HD1  LEU  50          1HD1      LEU  50   4.416   0.532   0.532
  360   1HD2  LEU  50          1HD2      LEU  50   1.825  -0.345  -0.345
  361   2HD2  LEU  50          3HD2      LEU  50   1.929  -1.920  -1.920
  362   3HD2  LEU  50          2HD2      LEU  50   3.376  -1.174  -1.174
  363    H    GLY  51           H        GLY  51  -1.183   0.229   0.229
  364   1HA   GLY  51          2HA       GLY  51  -2.108   3.036   3.036
  365   2HA   GLY  51          1HA       GLY  51  -2.497   1.789   1.789
  366    H    ARG  52           H        ARG  52  -3.226  -0.160  -0.160
  367    HA   ARG  52           HA       ARG  52  -5.988   0.794   0.794
  368   1HB   ARG  52          2HB       ARG  52  -4.683  -1.633  -1.633
  369   2HB   ARG  52          1HB       ARG  52  -5.387  -1.864  -1.864
  370   1HG   ARG  52          2HG       ARG  52  -7.562  -1.050  -1.050
  371   2HG   ARG  52          1HG       ARG  52  -6.857  -0.866  -0.866
  372   1HD   ARG  52          2HD       ARG  52  -6.307  -3.520  -3.520
  373   2HD   ARG  52          1HD       ARG  52  -8.052  -3.192  -3.192
  374    HE   ARG  52           HE       ARG  52  -7.658  -2.377  -2.377
  375   1HH1  ARG  52          1HH2      ARG  52  -6.693  -5.295  -5.295
  376   2HH1  ARG  52          2HH2      ARG  52  -5.717  -5.791  -5.791
  377   1HH2  ARG  52          2HH1      ARG  52  -5.946  -2.742  -2.742
  378   2HH2  ARG  52          1HH1      ARG  52  -5.293  -4.345  -4.345
  379    H    VAL  53           H        VAL  53  -3.434  -0.875  -0.875
  380    HA   VAL  53           HA       VAL  53  -4.509  -0.671  -0.671
  381    HB   VAL  53           HB       VAL  53  -1.686  -0.370  -0.370
  382   1HG1  VAL  53          3HG1      VAL  53  -2.577   0.371   0.371
  383   2HG1  VAL  53          2HG1      VAL  53  -1.835  -1.218  -1.218
  384   3HG1  VAL  53          1HG1      VAL  53  -0.910   0.109   0.109
  385   1HG2  VAL  53          1HG2      VAL  53  -3.000  -2.535  -2.535
  386   2HG2  VAL  53          3HG2      VAL  53  -1.479  -2.681  -2.681
  387   3HG2  VAL  53          2HG2      VAL  53  -3.010  -2.639  -2.639
  388    H    TRP  54           H        TRP  54  -2.811   1.840   1.840
  389    HA   TRP  54           HA       TRP  54  -2.792   3.838   3.838
  390   1HB   TRP  54          2HB       TRP  54  -1.378   4.009   4.009
  391   2HB   TRP  54          1HB       TRP  54  -2.783   3.971   3.971
  392    HD1  TRP  54           HD1      TRP  54  -4.452   6.094   6.094
  393    HE1  TRP  54           HE1      TRP  54  -4.011   8.554   8.554
  394    HE3  TRP  54           HE3      TRP  54   0.030   5.603   5.603
  395    HZ2  TRP  54           HZ2      TRP  54  -2.011  10.111  10.111
  396    HZ3  TRP  54           HZ3      TRP  54   1.181   7.590   7.590
  397    HH2  TRP  54           HH2      TRP  54   0.168   9.842   9.842
  398    H    GLU  55           H        GLU  55  -4.901   3.617   3.617
  399    HA   GLU  55           HA       GLU  55  -6.759   5.591   5.591
  400   1HB   GLU  55          2HB       GLU  55  -7.193   2.779   2.779
  401   2HB   GLU  55          1HB       GLU  55  -8.360   4.090   4.090
  402   1HG   GLU  55          2HG       GLU  55  -5.586   4.695   4.695
  403   2HG   GLU  55          1HG       GLU  55  -6.478   3.545   3.545
  404    H    LEU  56           H        LEU  56  -7.033   2.198   2.198
  405    HA   LEU  56           HA       LEU  56  -9.263   2.697   2.697
  406   1HB   LEU  56          2HB       LEU  56  -7.194   0.473   0.473
  407   2HB   LEU  56          1HB       LEU  56  -8.800   0.391   0.391
  408    HG   LEU  56           HG       LEU  56  -8.817   1.236   1.236
  409   1HD1  LEU  56          1HD1      LEU  56  -6.896  -0.453  -0.453
  410   2HD1  LEU  56          3HD1      LEU  56  -8.118  -1.643  -1.643
  411   3HD1  LEU  56          2HD1      LEU  56  -8.189  -0.850  -0.850
  412   1HD2  LEU  56          2HD2      LEU  56 -10.384  -0.355  -0.355
  413   2HD2  LEU  56          1HD2      LEU  56 -10.938   0.624   0.624
  414   3HD2  LEU  56          3HD2      LEU  56 -10.379  -1.027  -1.027
  415    H    SER  57           H        SER  57  -5.952   3.432   3.432
  416    HA   SER  57           HA       SER  57  -5.851   3.340   3.340
  417   1HB   SER  57          2HB       SER  57  -3.916   2.431   2.431
  418   2HB   SER  57          1HB       SER  57  -3.908   3.595   3.595
  419    HG   SER  57           HG       SER  57  -3.467   4.217   4.217
  420    H    ASP  58           H        ASP  58  -5.783   5.598   5.598
  421    HA   ASP  58           HA       ASP  58  -5.153   7.924   7.924
  422   1HB   ASP  58          2HB       ASP  58  -4.706   7.390   7.390
  423   2HB   ASP  58          1HB       ASP  58  -6.355   7.971   7.971
  424    H    ILE  59           H        ILE  59  -6.994   7.478   7.478
  425    HA   ILE  59           HA       ILE  59  -9.705   7.474   7.474
  426    HB   ILE  59           HB       ILE  59  -8.157   9.018   9.018
  427   1HG1  ILE  59          2HG1      ILE  59  -7.686   6.570   6.570
  428   2HG1  ILE  59          1HG1      ILE  59  -8.500   7.021   7.021
  429   1HG2  ILE  59          2HG2      ILE  59 -11.052   8.113   8.113
  430   2HG2  ILE  59          1HG2      ILE  59 -10.241   8.840   8.840
  431   3HG2  ILE  59          3HG2      ILE  59 -10.487   9.782   9.782
  432   1HD1  ILE  59          1HD1      ILE  59 -10.691   6.448   6.448
  433   2HD1  ILE  59          3HD1      ILE  59  -9.685   5.680   5.680
  434   3HD1  ILE  59          2HD1      ILE  59  -9.651   5.090   5.090
  435    H    ASP  60           H        ASP  60  -7.463  10.195  10.195
  436    HA   ASP  60           HA       ASP  60  -9.681  12.074  12.074
  437   1HB   ASP  60          2HB       ASP  60  -6.689  12.527  12.527
  438   2HB   ASP  60          1HB       ASP  60  -7.956  13.752  13.752
  439    H    HIS  61           H        HIS  61  -7.189  10.221  10.221
  440    HA   HIS  61           HA       HIS  61  -6.626  10.051  10.051
  441   1HB   HIS  61          2HB       HIS  61  -9.338  11.411  11.411
  442   2HB   HIS  61          1HB       HIS  61  -8.522  10.603  10.603
  443    HD1  HIS  61           HD1      HIS  61  -8.405   8.013   8.013
  444    HD2  HIS  61           HD2      HIS  61 -10.435   9.653   9.653
  445    HE1  HIS  61           HE1      HIS  61  -9.590   6.092   6.092
  446    H    ASP  62           H        ASP  62  -5.420  12.182  12.182
  447    HA   ASP  62           HA       ASP  62  -5.651  14.443  14.443
  448   1HB   ASP  62          2HB       ASP  62  -5.187  15.889  15.889
  449   2HB   ASP  62          1HB       ASP  62  -6.272  14.674  14.674
  450    H    GLY  63           H        GLY  63  -3.784  11.827  11.827
  451   1HA   GLY  63          2HA       GLY  63  -1.669  11.446  11.446
  452   2HA   GLY  63          1HA       GLY  63  -1.369  13.183  13.183
  453    H    MET  64           H        MET  64  -2.580  12.138  12.138
  454    HA   MET  64           HA       MET  64   0.141  11.604  11.604
  455   1HB   MET  64          2HB       MET  64  -1.619  13.949  13.949
  456   2HB   MET  64          1HB       MET  64  -0.951  13.309  13.309
  457   1HG   MET  64          2HG       MET  64   1.299  13.423  13.423
  458   2HG   MET  64          1HG       MET  64   0.669  13.965  13.965
  459   1HE   MET  64          1HE       MET  64   2.830  15.208  15.208
  460   2HE   MET  64          3HE       MET  64   2.682  16.831  16.831
  461   3HE   MET  64          2HE       MET  64   2.678  15.414  15.414
  462    H    LEU  65           H        LEU  65   0.041  10.693  10.693
  463    HA   LEU  65           HA       LEU  65  -2.626   9.491   9.491
  464   1HB   LEU  65          2HB       LEU  65   0.151   8.249   8.249
  465   2HB   LEU  65          1HB       LEU  65  -1.299   7.451   7.451
  466    HG   LEU  65           HG       LEU  65  -1.169   8.538   8.538
  467   1HD1  LEU  65          1HD1      LEU  65   0.262   6.256   6.256
  468   2HD1  LEU  65          3HD1      LEU  65  -0.836   5.773   5.773
  469   3HD1  LEU  65          2HD1      LEU  65   0.409   6.983   6.983
  470   1HD2  LEU  65          1HD2      LEU  65  -2.876   6.590   6.590
  471   2HD2  LEU  65          3HD2      LEU  65  -3.383   7.993   7.993
  472   3HD2  LEU  65          2HD2      LEU  65  -2.820   6.537   6.537
  473    H    ASP  66           H        ASP  66  -3.160  10.202  10.202
  474    HA   ASP  66           HA       ASP  66  -1.115  11.350  11.350
  475   1HB   ASP  66          2HB       ASP  66  -3.012  11.905  11.905
  476   2HB   ASP  66          1HB       ASP  66  -3.521  12.119  12.119
  477    H    ARG  67           H        ARG  67  -0.946  10.562  10.562
  478    HA   ARG  67           HA       ARG  67   0.161   8.110   8.110
  479   1HB   ARG  67          2HB       ARG  67  -0.727   8.310   8.310
  480   2HB   ARG  67          1HB       ARG  67   0.019   9.780   9.780
  481   1HG   ARG  67          2HG       ARG  67  -2.517  10.195  10.195
  482   2HG   ARG  67          1HG       ARG  67  -2.839   9.218   9.218
  483   1HD   ARG  67          2HD       ARG  67  -1.300  10.789  10.789
  484   2HD   ARG  67          1HD       ARG  67  -1.329  11.845  11.845
  485    HE   ARG  67           HE       ARG  67  -4.000  11.283  11.283
  486   1HH1  ARG  67          1HH2      ARG  67  -3.051  10.998  10.998
  487   2HH1  ARG  67          2HH2      ARG  67  -3.345  12.599  12.599
  488   1HH2  ARG  67          2HH1      ARG  67  -3.683  13.998  13.998
  489   2HH2  ARG  67          1HH1      ARG  67  -3.702  14.295  14.295
  490    H    ASP  68           H        ASP  68  -3.358   8.678   8.678
  491    HA   ASP  68           HA       ASP  68  -3.929   5.842   5.842
  492   1HB   ASP  68          2HB       ASP  68  -5.617   8.293   8.293
  493   2HB   ASP  68          1HB       ASP  68  -6.286   6.718   6.718
  494    H    GLU  69           H        GLU  69  -4.013   8.087   8.087
  495    HA   GLU  69           HA       GLU  69  -5.427   6.391   6.391
  496   1HB   GLU  69          2HB       GLU  69  -4.754   8.951   8.951
  497   2HB   GLU  69          1HB       GLU  69  -3.324   8.364   8.364
  498   1HG   GLU  69          2HG       GLU  69  -4.550   7.609   7.609
  499   2HG   GLU  69          1HG       GLU  69  -6.034   7.455   7.455
  500    H    PHE  70           H        PHE  70  -1.950   7.089   7.089
  501    HA   PHE  70           HA       PHE  70  -0.933   5.316   5.316
  502   1HB   PHE  70          2HB       PHE  70   0.280   7.075   7.075
  503   2HB   PHE  70          1HB       PHE  70   0.224   5.973   5.973
  504    HD1  PHE  70           HD1      PHE  70   1.536   6.433   6.433
  505    HD2  PHE  70           HD2      PHE  70   1.673   4.070   4.070
  506    HE1  PHE  70           HE1      PHE  70   3.545   5.256   5.256
  507    HE2  PHE  70           HE2      PHE  70   3.683   2.893   2.893
  508    HZ   PHE  70           HZ       PHE  70   4.615   3.490   3.490
  509    H    ALA  71           H        ALA  71  -2.237   4.745   4.745
  510    HA   ALA  71           HA       ALA  71  -1.182   2.135   2.135
  511   1HB   ALA  71          1HB       ALA  71  -2.706   3.960   3.960
  512   2HB   ALA  71          3HB       ALA  71  -3.953   2.805   2.805
  513   3HB   ALA  71          2HB       ALA  71  -2.584   2.276   2.276
  514    H    VAL  72           H        VAL  72  -4.230   3.172   3.172
  515    HA   VAL  72           HA       VAL  72  -5.280   0.589   0.589
  516    HB   VAL  72           HB       VAL  72  -5.519   3.224   3.224
  517   1HG1  VAL  72          1HG1      VAL  72  -6.928   0.595   0.595
  518   2HG1  VAL  72          3HG1      VAL  72  -7.882   2.067   2.067
  519   3HG1  VAL  72          2HG1      VAL  72  -6.511   1.757   1.757
  520   1HG2  VAL  72          2HG2      VAL  72  -6.098   3.094   3.094
  521   2HG2  VAL  72          1HG2      VAL  72  -7.353   3.712   3.712
  522   3HG2  VAL  72          3HG2      VAL  72  -7.435   2.050   2.050
  523    H    ALA  73           H        ALA  73  -2.737   2.431   2.431
  524    HA   ALA  73           HA       ALA  73  -2.743   0.775   0.775
  525   1HB   ALA  73          3HB       ALA  73  -1.735   3.306   3.306
  526   2HB   ALA  73          2HB       ALA  73  -0.426   2.378   2.378
  527   3HB   ALA  73          1HB       ALA  73  -1.894   2.731   2.731
  528    H    MET  74           H        MET  74  -1.449   0.389   0.389
  529    HA   MET  74           HA       MET  74   1.000  -0.958  -0.958
  530   1HB   MET  74          2HB       MET  74  -0.077  -0.806  -0.806
  531   2HB   MET  74          1HB       MET  74   1.588  -1.085  -1.085
  532   1HG   MET  74          2HG       MET  74   0.052   1.462   1.462
  533   2HG   MET  74          1HG       MET  74   1.740   1.153   1.153
  534   1HE   MET  74          2HE       MET  74   2.834  -0.272  -0.272
  535   2HE   MET  74          1HE       MET  74   2.663   0.016   0.016
  536   3HE   MET  74          3HE       MET  74   3.723   1.046   1.046
  537    H    PHE  75           H        PHE  75  -2.038  -1.837  -1.837
  538    HA   PHE  75           HA       PHE  75  -1.355  -4.676  -4.676
  539   1HB   PHE  75          2HB       PHE  75  -3.376  -4.905  -4.905
  540   2HB   PHE  75          1HB       PHE  75  -2.964  -3.232  -3.232
  541    HD1  PHE  75           HD1      PHE  75  -4.979  -5.388  -5.388
  542    HD2  PHE  75           HD2      PHE  75  -4.339  -1.436  -1.436
  543    HE1  PHE  75           HE1      PHE  75  -7.097  -4.636  -4.636
  544    HE2  PHE  75           HE2      PHE  75  -6.454  -0.688  -0.688
  545    HZ   PHE  75           HZ       PHE  75  -7.837  -2.283  -2.283
  546    H    LEU  76           H        LEU  76  -2.787  -2.379  -2.379
  547    HA   LEU  76           HA       LEU  76  -4.174  -4.278  -4.278
  548   1HB   LEU  76          2HB       LEU  76  -3.319  -1.402  -1.402
  549   2HB   LEU  76          1HB       LEU  76  -3.840  -2.156  -2.156
  550    HG   LEU  76           HG       LEU  76  -5.450  -2.130  -2.130
  551   1HD1  LEU  76          1HD1      LEU  76  -5.139  -0.184  -0.184
  552   2HD1  LEU  76          3HD1      LEU  76  -6.803  -0.763  -0.763
  553   3HD1  LEU  76          2HD1      LEU  76  -6.039  -0.045  -0.045
  554   1HD2  LEU  76          3HD2      LEU  76  -5.784  -3.371  -3.371
  555   2HD2  LEU  76          2HD2      LEU  76  -6.246  -3.994  -3.994
  556   3HD2  LEU  76          1HD2      LEU  76  -7.222  -2.747  -2.747
  557    H    VAL  77           H        VAL  77  -0.932  -3.013  -3.013
  558    HA   VAL  77           HA       VAL  77  -0.044  -4.191  -4.191
  559    HB   VAL  77           HB       VAL  77   1.173  -2.482  -2.482
  560   1HG1  VAL  77          1HG1      VAL  77   2.486  -4.077  -4.077
  561   2HG1  VAL  77          3HG1      VAL  77   3.023  -2.404  -2.404
  562   3HG1  VAL  77          2HG1      VAL  77   3.140  -3.496  -3.496
  563   1HG2  VAL  77          1HG2      VAL  77  -0.236  -1.995  -1.995
  564   2HG2  VAL  77          3HG2      VAL  77   0.411  -0.816  -0.816
  565   3HG2  VAL  77          2HG2      VAL  77   1.419  -1.412  -1.412
  566    H    TYR  78           H        TYR  78   0.938  -4.379  -4.379
  567    HA   TYR  78           HA       TYR  78   2.664  -6.579  -6.579
  568   1HB   TYR  78          2HB       TYR  78   1.070  -5.205  -5.205
  569   2HB   TYR  78          1HB       TYR  78   1.432  -6.884  -6.884
  570    HD1  TYR  78           HD2      TYR  78   3.999  -7.500  -7.500
  571    HD2  TYR  78           HD1      TYR  78   2.590  -3.708  -3.708
  572    HE1  TYR  78           HE2      TYR  78   6.322  -6.864  -6.864
  573    HE2  TYR  78           HE1      TYR  78   4.913  -3.073  -3.073
  574    HH   TYR  78           HH       TYR  78   7.023  -3.994  -3.994
  575    H    CYS  79           H        CYS  79  -0.781  -6.522  -6.522
  576    HA   CYS  79           HA       CYS  79  -1.125  -9.385  -9.385
  577   1HB   CYS  79          2HB       CYS  79  -2.825  -7.055  -7.055
  578   2HB   CYS  79          1HB       CYS  79  -3.470  -8.691  -8.691
  579    HG   CYS  79           HG       CYS  79  -2.603  -8.762  -8.762
  580    H    ALA  80           H        ALA  80  -0.308  -7.432  -7.432
  581    HA   ALA  80           HA       ALA  80  -1.272  -9.377  -9.377
  582   1HB   ALA  80          1HB       ALA  80   0.004  -6.686  -6.686
  583   2HB   ALA  80          3HB       ALA  80   0.286  -7.649  -7.649
  584   3HB   ALA  80          2HB       ALA  80  -1.361  -7.248  -7.248
  585    H    LEU  81           H        LEU  81   1.455  -8.984  -8.984
  586    HA   LEU  81           HA       LEU  81   3.350 -10.297 -10.297
  587   1HB   LEU  81          2HB       LEU  81   3.436  -9.353  -9.353
  588   2HB   LEU  81          1HB       LEU  81   4.801 -10.150 -10.150
  589    HG   LEU  81           HG       LEU  81   4.391  -8.358  -8.358
  590   1HD1  LEU  81          3HD1      LEU  81   2.828  -7.400  -7.400
  591   2HD1  LEU  81          2HD1      LEU  81   3.697  -6.208  -6.208
  592   3HD1  LEU  81          1HD1      LEU  81   2.481  -7.246  -7.246
  593   1HD2  LEU  81          1HD2      LEU  81   5.667  -7.879  -7.879
  594   2HD2  LEU  81          3HD2      LEU  81   6.455  -8.390  -8.390
  595   3HD2  LEU  81          2HD2      LEU  81   5.840  -6.744  -6.744
  596    H    GLU  82           H        GLU  82   1.628 -10.991 -10.991
  597    HA   GLU  82           HA       GLU  82   2.626 -13.676 -13.676
  598   1HB   GLU  82          2HB       GLU  82   0.709 -13.826 -13.826
  599   2HB   GLU  82          1HB       GLU  82   1.810 -12.478 -12.478
  600   1HG   GLU  82          2HG       GLU  82  -0.072 -11.214 -11.214
  601   2HG   GLU  82          1HG       GLU  82  -0.045 -11.363 -11.363
  602    H    LYS  83           H        LYS  83  -0.542 -12.428 -12.428
  603    HA   LYS  83           HA       LYS  83  -0.781 -14.301 -14.301
  604   1HB   LYS  83          2HB       LYS  83  -0.898 -15.533 -15.533
  605   2HB   LYS  83          1HB       LYS  83  -2.606 -15.253 -15.253
  606   1HG   LYS  83          2HG       LYS  83  -2.632 -16.662 -16.662
  607   2HG   LYS  83          1HG       LYS  83  -0.958 -16.307 -16.307
  608   1HD   LYS  83          2HD       LYS  83  -0.385 -17.547 -17.547
  609   2HD   LYS  83          1HD       LYS  83  -2.008 -18.219 -18.219
  610   1HE   LYS  83          2HE       LYS  83  -0.139 -18.294 -18.294
  611   2HE   LYS  83          1HE       LYS  83  -0.014 -19.525 -19.525
  612   1HZ   LYS  83          2HZ       LYS  83  -2.493 -19.753 -19.753
  613   2HZ   LYS  83          1HZ       LYS  83  -2.399 -18.826 -18.826
  614   3HZ   LYS  83          3HZ       LYS  83  -1.610 -20.324 -20.324
  615    H    GLU  84           H        GLU  84  -2.371 -12.241 -12.241
  616    HA   GLU  84           HA       GLU  84  -4.958 -12.199 -12.199
  617   1HB   GLU  84          2HB       GLU  84  -3.551 -10.607 -10.607
  618   2HB   GLU  84          1HB       GLU  84  -5.167 -10.165 -10.165
  619   1HG   GLU  84          2HG       GLU  84  -4.903 -13.031 -13.031
  620   2HG   GLU  84          1HG       GLU  84  -4.601 -12.037 -12.037
  621    HA   PRO  85           HA       PRO  85  -3.404  -9.364  -9.364
  622   1HB   PRO  85          2HB       PRO  85  -5.684  -9.430  -9.430
  623   2HB   PRO  85          1HB       PRO  85  -4.436 -10.690 -10.690
  624   1HG   PRO  85          2HG       PRO  85  -7.041 -10.689 -10.689
  625   2HG   PRO  85          1HG       PRO  85  -6.248 -11.996 -11.996
  626   1HD   PRO  85          2HD       PRO  85  -6.214 -11.832 -11.832
  627   2HD   PRO  85          1HD       PRO  85  -4.894 -12.563 -12.563
  628    H    VAL  86           H        VAL  86  -4.920  -7.431  -7.431
  629    HA   VAL  86           HA       VAL  86  -6.282  -6.060  -6.060
  630    HB   VAL  86           HB       VAL  86  -4.321  -5.049  -5.049
  631   1HG1  VAL  86          3HG1      VAL  86  -6.321  -3.505  -3.505
  632   2HG1  VAL  86          2HG1      VAL  86  -5.674  -3.377  -3.377
  633   3HG1  VAL  86          1HG1      VAL  86  -4.717  -2.827  -2.827
  634   1HG2  VAL  86          2HG2      VAL  86  -3.625  -6.236  -6.236
  635   2HG2  VAL  86          1HG2      VAL  86  -2.862  -4.697  -4.697
  636   3HG2  VAL  86          3HG2      VAL  86  -4.170  -4.754  -4.754
  637    HA   PRO  87           HA       PRO  87  -9.387  -5.733  -5.733
  638   1HB   PRO  87          2HB       PRO  87 -11.438  -5.085  -5.085
  639   2HB   PRO  87          1HB       PRO  87 -10.858  -6.748  -6.748
  640   1HG   PRO  87          2HG       PRO  87 -10.459  -4.888  -4.888
  641   2HG   PRO  87          1HG       PRO  87 -10.464  -6.655  -6.655
  642   1HD   PRO  87          2HD       PRO  87  -8.205  -4.973  -4.973
  643   2HD   PRO  87          1HD       PRO  87  -8.217  -6.729  -6.729
  644    H    MET  88           H        MET  88 -11.081  -3.845  -3.845
  645    HA   MET  88           HA       MET  88  -9.642  -1.269  -1.269
  646   1HB   MET  88          2HB       MET  88 -11.754  -2.196  -2.196
  647   2HB   MET  88          1HB       MET  88 -11.189  -0.530  -0.530
  648   1HG   MET  88          2HG       MET  88  -8.888  -1.275  -1.275
  649   2HG   MET  88          1HG       MET  88  -9.442  -2.946  -2.946
  650   1HE   MET  88          2HE       MET  88  -8.837   0.210   0.210
  651   2HE   MET  88          1HE       MET  88  -8.412  -0.310  -0.310
  652   3HE   MET  88          3HE       MET  88  -9.889   0.621   0.621
  653    H    SER  89           H        SER  89 -11.816  -2.846  -2.846
  654    HA   SER  89           HA       SER  89 -13.681  -0.524  -0.524
  655   1HB   SER  89          2HB       SER  89 -13.956  -3.457  -3.457
  656   2HB   SER  89          1HB       SER  89 -15.188  -2.246  -2.246
  657    HG   SER  89           HG       SER  89 -14.106  -2.872  -2.872
  658    H    LEU  90           H        LEU  90 -12.826   0.726   0.726
  659    HA   LEU  90           HA       LEU  90 -11.536  -0.437  -0.437
  660   1HB   LEU  90          2HB       LEU  90 -10.497   1.545   1.545
  661   2HB   LEU  90          1HB       LEU  90 -11.833   2.130   2.130
  662    HG   LEU  90           HG       LEU  90 -13.047   2.813   2.813
  663   1HD1  LEU  90          1HD1      LEU  90 -11.725   0.877   0.877
  664   2HD1  LEU  90          3HD1      LEU  90 -10.724   2.254   2.254
  665   3HD1  LEU  90          2HD1      LEU  90 -12.447   2.255   2.255
  666   1HD2  LEU  90          2HD2      LEU  90 -11.142   4.218   4.218
  667   2HD2  LEU  90          1HD2      LEU  90 -11.710   4.684   4.684
  668   3HD2  LEU  90          3HD2      LEU  90 -10.212   3.769   3.769
  669    HA   PRO  91           HA       PRO  91 -15.673  -0.845  -0.845
  670   1HB   PRO  91          2HB       PRO  91 -14.832  -2.288  -2.288
  671   2HB   PRO  91          1HB       PRO  91 -15.113  -3.013  -3.013
  672   1HG   PRO  91          2HG       PRO  91 -12.544  -2.141  -2.141
  673   2HG   PRO  91          1HG       PRO  91 -12.906  -3.614  -3.614
  674   1HD   PRO  91          2HD       PRO  91 -11.637  -1.528  -1.528
  675   2HD   PRO  91          1HD       PRO  91 -12.779  -2.537  -2.537
  676    HA   PRO  92           HA       PRO  92 -15.479   2.400   2.400
  677   1HB   PRO  92          2HB       PRO  92 -17.618   1.811   1.811
  678   2HB   PRO  92          1HB       PRO  92 -17.795   2.451   2.451
  679   1HG   PRO  92          2HG       PRO  92 -18.054  -0.348  -0.348
  680   2HG   PRO  92          1HG       PRO  92 -19.002   0.512   0.512
  681   1HD   PRO  92          2HD       PRO  92 -17.035  -1.276  -1.276
  682   2HD   PRO  92          1HD       PRO  92 -17.489   0.078   0.078
  683    H    ALA  93           H        ALA  93 -15.183  -0.888  -0.888
  684    HA   ALA  93           HA       ALA  93 -14.703  -0.434  -0.434
  685   1HB   ALA  93          1HB       ALA  93 -15.264  -2.583  -2.583
  686   2HB   ALA  93          3HB       ALA  93 -13.506  -2.704  -2.704
  687   3HB   ALA  93          2HB       ALA  93 -14.331  -2.735  -2.735
  688    H    LEU  94           H        LEU  94 -13.027   0.364   0.364
  689    HA   LEU  94           HA       LEU  94 -10.317   0.059   0.059
  690   1HB   LEU  94          2HB       LEU  94 -11.606   0.264   0.264
  691   2HB   LEU  94          1HB       LEU  94 -10.474   1.609   1.609
  692    HG   LEU  94           HG       LEU  94  -8.640   0.120   0.120
  693   1HD1  LEU  94          3HD1      LEU  94 -10.810  -1.631  -1.631
  694   2HD1  LEU  94          2HD1      LEU  94  -9.702  -2.462  -2.462
  695   3HD1  LEU  94          1HD1      LEU  94  -9.094  -1.736  -1.736
  696   1HD2  LEU  94          2HD2      LEU  94 -10.233  -0.052  -0.052
  697   2HD2  LEU  94          1HD2      LEU  94  -8.492  -0.276  -0.276
  698   3HD2  LEU  94          3HD2      LEU  94  -9.579  -1.654  -1.654
  699    H    VAL  95           H        VAL  95 -12.756   2.529   2.529
  700    HA   VAL  95           HA       VAL  95 -11.072   4.841   4.841
  701    HB   VAL  95           HB       VAL  95 -14.017   4.425   4.425
  702   1HG1  VAL  95          3HG1      VAL  95 -12.974   6.569   6.569
  703   2HG1  VAL  95          2HG1      VAL  95 -12.537   6.928   6.928
  704   3HG1  VAL  95          1HG1      VAL  95 -14.235   6.801   6.801
  705   1HG2  VAL  95          3HG2      VAL  95 -12.806   3.858   3.858
  706   2HG2  VAL  95          2HG2      VAL  95 -14.437   4.521   4.521
  707   3HG2  VAL  95          1HG2      VAL  95 -13.070   5.589   5.589
  708    HA   PRO  96           HA       PRO  96 -10.408   4.657   4.657
  709   1HB   PRO  96          2HB       PRO  96  -9.438   7.203   7.203
  710   2HB   PRO  96          1HB       PRO  96  -8.479   5.879   5.879
  711   1HG   PRO  96          2HG       PRO  96  -9.935   8.079   8.079
  712   2HG   PRO  96          1HG       PRO  96  -8.366   7.354   7.354
  713   1HD   PRO  96          2HD       PRO  96 -10.656   6.761   6.761
  714   2HD   PRO  96          1HD       PRO  96  -9.299   5.626   5.626
  715    HA   PRO  97           HA       PRO  97 -13.803   6.724   6.724
  716   1HB   PRO  97          2HB       PRO  97 -12.781   7.743   7.743
  717   2HB   PRO  97          1HB       PRO  97 -13.054   6.008   6.008
  718   1HG   PRO  97          2HG       PRO  97 -10.527   7.570   7.570
  719   2HG   PRO  97          1HG       PRO  97 -10.810   5.940   5.940
  720   1HD   PRO  97          2HD       PRO  97  -9.721   6.445   6.445
  721   2HD   PRO  97          1HD       PRO  97 -10.635   4.972   4.972
  722    H    SER  98           H        SER  98 -11.085   8.560   8.560
  723    HA   SER  98           HA       SER  98 -12.016  11.183  11.183
  724   1HB   SER  98          2HB       SER  98 -10.232  11.882  11.882
  725   2HB   SER  98          1HB       SER  98  -9.672  10.746  10.746
  726    HG   SER  98           HG       SER  98 -10.386  10.247  10.247
  727    H    LYS  99           H        LYS  99 -12.608   9.083   9.083
  728    HA   LYS  99           HA       LYS  99 -13.870  11.232  11.232
  729   1HB   LYS  99          2HB       LYS  99 -12.955   8.432   8.432
  730   2HB   LYS  99          1HB       LYS  99 -14.389   8.850   8.850
  731   1HG   LYS  99          2HG       LYS  99 -12.281  10.901  10.901
  732   2HG   LYS  99          1HG       LYS  99 -11.797   9.354   9.354
  733   1HD   LYS  99          2HD       LYS  99 -14.279  10.936  10.936
  734   2HD   LYS  99          1HD       LYS  99 -12.826  10.773  10.773
  735   1HE   LYS  99          2HE       LYS  99 -13.586   8.131   8.131
  736   2HE   LYS  99          1HE       LYS  99 -15.077   8.968   8.968
  737   1HZ   LYS  99          1HZ       LYS  99 -12.607   9.413   9.413
  738   2HZ   LYS  99          3HZ       LYS  99 -13.518   8.013   8.013
  739   3HZ   LYS  99          2HZ       LYS  99 -14.224   9.543   9.543
  740    H    ARG 100           H        ARG 100 -14.806   9.656   9.656
  741    HA   ARG 100           HA       ARG 100 -17.359   8.510   8.510
  742   1HB   ARG 100          2HB       ARG 100 -16.156   9.743   9.743
  743   2HB   ARG 100          1HB       ARG 100 -17.717   8.922   8.922
  744   1HG   ARG 100          2HG       ARG 100 -15.151   7.648   7.648
  745   2HG   ARG 100          1HG       ARG 100 -15.782   7.443   7.443
  746   1HD   ARG 100          2HD       ARG 100 -17.193   5.830   5.830
  747   2HD   ARG 100          1HD       ARG 100 -17.891   6.950   6.950
  748    HE   ARG 100           HE       ARG 100 -15.737   6.389   6.389
  749   1HH1  ARG 100          1HH2      ARG 100 -14.813   4.332   4.332
  750   2HH1  ARG 100          2HH2      ARG 100 -15.400   2.863   2.863
  751   1HH2  ARG 100          2HH1      ARG 100 -17.598   4.464   4.464
  752   2HH2  ARG 100          1HH1      ARG 100 -16.977   2.938   2.938

  Start of MODEL    3
    1    HA   PRO   6           HA       PRO   6 -13.675  -2.821  -2.821
    2   1HB   PRO   6          2HB       PRO   6 -12.017  -4.898  -4.898
    3   2HB   PRO   6          1HB       PRO   6 -13.029  -4.886  -4.886
    4   1HG   PRO   6          2HG       PRO   6 -13.451  -6.288  -6.288
    5   2HG   PRO   6          1HG       PRO   6 -13.823  -6.816  -6.816
    6   1HD   PRO   6          2HD       PRO   6 -15.686  -5.841  -5.841
    7   2HD   PRO   6          1HD       PRO   6 -15.860  -5.792  -5.792
    8    H    TRP   7           H        TRP   7 -11.589  -2.240  -2.240
    9    HA   TRP   7           HA       TRP   7 -12.060  -1.700  -1.700
   10   1HB   TRP   7          2HB       TRP   7 -11.342   0.089   0.089
   11   2HB   TRP   7          1HB       TRP   7  -9.950  -0.861  -0.861
   12    HD1  TRP   7           HD1      TRP   7 -10.833  -0.998  -0.998
   13    HE1  TRP   7           HE1      TRP   7  -9.066   0.291   0.291
   14    HE3  TRP   7           HE3      TRP   7  -8.267   1.254   1.254
   15    HZ2  TRP   7           HZ2      TRP   7  -6.854   2.049   2.049
   16    HZ3  TRP   7           HZ3      TRP   7  -6.339   2.731   2.731
   17    HH2  TRP   7           HH2      TRP   7  -5.630   3.130   3.130
   18    H    ALA   8           H        ALA   8 -11.033  -2.849  -2.849
   19    HA   ALA   8           HA       ALA   8  -9.787  -5.279  -5.279
   20   1HB   ALA   8          1HB       ALA   8 -10.225  -3.367  -3.367
   21   2HB   ALA   8          3HB       ALA   8  -8.477  -3.585  -3.585
   22   3HB   ALA   8          2HB       ALA   8  -9.547  -4.969  -4.969
   23    H    VAL   9           H        VAL   9  -8.275  -2.131  -2.131
   24    HA   VAL   9           HA       VAL   9  -5.632  -3.417  -3.417
   25    HB   VAL   9           HB       VAL   9  -6.635  -0.576  -0.576
   26   1HG1  VAL   9          3HG1      VAL   9  -3.939  -1.634  -1.634
   27   2HG1  VAL   9          2HG1      VAL   9  -4.072  -0.117  -0.117
   28   3HG1  VAL   9          1HG1      VAL   9  -4.855  -0.290  -0.290
   29   1HG2  VAL   9          1HG2      VAL   9  -4.946  -2.465  -2.465
   30   2HG2  VAL   9          3HG2      VAL   9  -6.490  -1.730  -1.730
   31   3HG2  VAL   9          2HG2      VAL   9  -5.037  -0.734  -0.734
   32    H    LYS  10           H        LYS  10  -5.086  -3.929  -3.929
   33    HA   LYS  10           HA       LYS  10  -6.653  -2.843  -2.843
   34   1HB   LYS  10          2HB       LYS  10  -5.222  -5.228  -5.228
   35   2HB   LYS  10          1HB       LYS  10  -4.539  -4.594  -4.594
   36   1HG   LYS  10          2HG       LYS  10  -7.019  -4.323  -4.323
   37   2HG   LYS  10          1HG       LYS  10  -7.370  -5.454  -5.454
   38   1HD   LYS  10          2HD       LYS  10  -5.147  -6.163  -6.163
   39   2HD   LYS  10          1HD       LYS  10  -6.793  -6.297  -6.297
   40   1HE   LYS  10          2HE       LYS  10  -7.313  -7.603  -7.603
   41   2HE   LYS  10          1HE       LYS  10  -5.551  -7.751  -7.751
   42   1HZ   LYS  10          3HZ       LYS  10  -5.581  -8.458  -8.458
   43   2HZ   LYS  10          2HZ       LYS  10  -7.261  -8.658  -8.658
   44   3HZ   LYS  10          1HZ       LYS  10  -6.189  -9.581  -9.581
   45    HA   PRO  11           HA       PRO  11  -3.519  -0.205  -0.205
   46   1HB   PRO  11          2HB       PRO  11  -2.945  -1.105  -1.105
   47   2HB   PRO  11          1HB       PRO  11  -4.463  -0.283  -0.283
   48   1HG   PRO  11          2HG       PRO  11  -3.914  -3.189  -3.189
   49   2HG   PRO  11          1HG       PRO  11  -5.332  -2.243  -2.243
   50   1HD   PRO  11          2HD       PRO  11  -5.268  -3.833  -3.833
   51   2HD   PRO  11          1HD       PRO  11  -6.295  -2.389  -2.389
   52    H    GLU  12           H        GLU  12  -2.727  -3.635  -3.635
   53    HA   GLU  12           HA       GLU  12   0.139  -3.194  -3.194
   54   1HB   GLU  12          2HB       GLU  12  -0.434  -5.186  -5.186
   55   2HB   GLU  12          1HB       GLU  12  -1.838  -5.404  -5.404
   56   1HG   GLU  12          2HG       GLU  12  -0.634  -6.502  -6.502
   57   2HG   GLU  12          1HG       GLU  12   0.870  -5.670  -5.670
   58    H    ASP  13           H        ASP  13  -2.152  -3.592  -3.592
   59    HA   ASP  13           HA       ASP  13  -0.077  -4.205  -4.205
   60   1HB   ASP  13          2HB       ASP  13  -3.010  -4.143  -4.143
   61   2HB   ASP  13          1HB       ASP  13  -2.435  -3.554  -3.554
   62    H    LYS  14           H        LYS  14  -2.095  -1.504  -1.504
   63    HA   LYS  14           HA       LYS  14  -1.184   0.331   0.331
   64   1HB   LYS  14          2HB       LYS  14  -3.346   0.279   0.279
   65   2HB   LYS  14          1HB       LYS  14  -2.339   1.085   1.085
   66   1HG   LYS  14          2HG       LYS  14  -1.886   2.377   2.377
   67   2HG   LYS  14          1HG       LYS  14  -3.630   2.233   2.233
   68   1HD   LYS  14          2HD       LYS  14  -3.609   3.451   3.451
   69   2HD   LYS  14          1HD       LYS  14  -1.885   3.178   3.178
   70   1HE   LYS  14          2HE       LYS  14  -2.258   4.534   4.534
   71   2HE   LYS  14          1HE       LYS  14  -3.083   5.432   5.432
   72   1HZ   LYS  14          1HZ       LYS  14  -1.091   5.228   5.228
   73   2HZ   LYS  14          3HZ       LYS  14  -0.295   4.406   4.406
   74   3HZ   LYS  14          2HZ       LYS  14  -0.742   6.033   6.033
   75    H    ALA  15           H        ALA  15   0.022  -0.822  -0.822
   76    HA   ALA  15           HA       ALA  15   1.666   1.453   1.453
   77   1HB   ALA  15          2HB       ALA  15   1.707  -1.513  -1.513
   78   2HB   ALA  15          1HB       ALA  15   2.772  -0.341  -0.341
   79   3HB   ALA  15          3HB       ALA  15   1.025  -0.220  -0.220
   80    H    LYS  16           H        LYS  16   2.159  -1.526  -1.526
   81    HA   LYS  16           HA       LYS  16   4.972  -1.002  -1.002
   82   1HB   LYS  16          2HB       LYS  16   4.863  -3.102  -3.102
   83   2HB   LYS  16          1HB       LYS  16   3.393  -3.178  -3.178
   84   1HG   LYS  16          2HG       LYS  16   2.091  -2.400  -2.400
   85   2HG   LYS  16          1HG       LYS  16   3.565  -2.411  -2.411
   86   1HD   LYS  16          2HD       LYS  16   2.702  -4.872  -4.872
   87   2HD   LYS  16          1HD       LYS  16   2.027  -4.517  -4.517
   88   1HE   LYS  16          2HE       LYS  16   3.879  -5.442  -5.442
   89   2HE   LYS  16          1HE       LYS  16   4.839  -4.131  -4.131
   90   1HZ   LYS  16          3HZ       LYS  16   3.927  -6.323  -6.323
   91   2HZ   LYS  16          2HZ       LYS  16   5.258  -6.600  -6.600
   92   3HZ   LYS  16          1HZ       LYS  16   5.314  -5.355  -5.355
   93    H    TYR  17           H        TYR  17   1.956   0.030   0.030
   94    HA   TYR  17           HA       TYR  17   2.952   0.823   0.823
   95   1HB   TYR  17          2HB       TYR  17   0.425   1.445   1.445
   96   2HB   TYR  17          1HB       TYR  17   0.663   1.801   1.801
   97    HD1  TYR  17           HD2      TYR  17   2.454  -1.067  -1.067
   98    HD2  TYR  17           HD1      TYR  17  -1.629   0.229   0.229
   99    HE1  TYR  17           HE2      TYR  17   1.682  -3.347  -3.347
  100    HE2  TYR  17           HE1      TYR  17  -2.403  -2.052  -2.052
  101    HH   TYR  17           HH       TYR  17  -0.129  -4.734  -4.734
  102    H    ASP  18           H        ASP  18   2.444   2.200   2.200
  103    HA   ASP  18           HA       ASP  18   2.797   4.984   4.984
  104   1HB   ASP  18          2HB       ASP  18   1.756   3.654   3.654
  105   2HB   ASP  18          1HB       ASP  18   3.337   4.097   4.097
  106    H    ALA  19           H        ALA  19   4.927   2.349   2.349
  107    HA   ALA  19           HA       ALA  19   7.236   4.053   4.053
  108   1HB   ALA  19          2HB       ALA  19   6.449   1.297   1.297
  109   2HB   ALA  19          1HB       ALA  19   7.937   1.381   1.381
  110   3HB   ALA  19          3HB       ALA  19   7.887   2.058   2.058
  111    H    ILE  20           H        ILE  20   5.831   2.320   2.320
  112    HA   ILE  20           HA       ILE  20   8.026   2.839   2.839
  113    HB   ILE  20           HB       ILE  20   5.220   1.712   1.712
  114   1HG1  ILE  20          2HG1      ILE  20   7.604   0.279   0.279
  115   2HG1  ILE  20          1HG1      ILE  20   7.544   0.540   0.540
  116   1HG2  ILE  20          3HG2      ILE  20   5.683   3.041   3.041
  117   2HG2  ILE  20          2HG2      ILE  20   7.018   1.940   1.940
  118   3HG2  ILE  20          1HG2      ILE  20   5.364   1.331   1.331
  119   1HD1  ILE  20          2HD1      ILE  20   4.944  -0.258  -0.258
  120   2HD1  ILE  20          1HD1      ILE  20   6.027  -1.330  -1.330
  121   3HD1  ILE  20          3HD1      ILE  20   6.144  -1.218  -1.218
  122    H    PHE  21           H        PHE  21   4.990   4.250   4.250
  123    HA   PHE  21           HA       PHE  21   4.735   6.151   6.151
  124   1HB   PHE  21          2HB       PHE  21   2.700   5.751   5.751
  125   2HB   PHE  21          1HB       PHE  21   3.439   5.453   5.453
  126    HD1  PHE  21           HD2      PHE  21   4.379   7.475   7.475
  127    HD2  PHE  21           HD1      PHE  21   1.700   7.834   7.834
  128    HE1  PHE  21           HE2      PHE  21   3.797   9.773   9.773
  129    HE2  PHE  21           HE1      PHE  21   1.118  10.136  10.136
  130    HZ   PHE  21           HZ       PHE  21   2.172  11.105  11.105
  131    H    ASP  22           H        ASP  22   6.116   6.121   6.121
  132    HA   ASP  22           HA       ASP  22   6.858   8.972   8.972
  133   1HB   ASP  22          2HB       ASP  22   6.108   8.225   8.225
  134   2HB   ASP  22          1HB       ASP  22   7.027   6.720   6.720
  135    H    SER  23           H        SER  23   8.107   6.138   6.138
  136    HA   SER  23           HA       SER  23  10.962   6.739   6.739
  137   1HB   SER  23          2HB       SER  23  10.695   4.453   4.453
  138   2HB   SER  23          1HB       SER  23   9.276   4.558   4.558
  139    HG   SER  23           HG       SER  23  11.515   3.791   3.791
  140    H    LEU  24           H        LEU  24   8.550   7.760   7.760
  141    HA   LEU  24           HA       LEU  24  10.412   8.303   8.303
  142   1HB   LEU  24          2HB       LEU  24   7.447   8.777   8.777
  143   2HB   LEU  24          1HB       LEU  24   8.494   8.233   8.233
  144    HG   LEU  24           HG       LEU  24   7.949   6.507   6.507
  145   1HD1  LEU  24          2HD1      LEU  24   6.037   7.346   7.346
  146   2HD1  LEU  24          1HD1      LEU  24   6.436   5.662   5.662
  147   3HD1  LEU  24          3HD1      LEU  24   5.842   6.125   6.125
  148   1HD2  LEU  24          1HD2      LEU  24   8.899   6.052   6.052
  149   2HD2  LEU  24          3HD2      LEU  24   9.797   5.762   5.762
  150   3HD2  LEU  24          2HD2      LEU  24   8.427   4.734   4.734
  151    H    SER  25           H        SER  25   8.917   9.673   9.673
  152    HA   SER  25           HA       SER  25   9.104  11.912  11.912
  153   1HB   SER  25          2HB       SER  25   9.720  12.819  12.819
  154   2HB   SER  25          1HB       SER  25  10.243  13.525  13.525
  155    HG   SER  25           HG       SER  25  11.520  11.646  11.646
  156    HA   PRO  26           HA       PRO  26   4.882  12.219  12.219
  157   1HB   PRO  26          2HB       PRO  26   3.753  12.719  12.719
  158   2HB   PRO  26          1HB       PRO  26   4.116  11.082  11.082
  159   1HG   PRO  26          2HG       PRO  26   5.612  12.781  12.781
  160   2HG   PRO  26          1HG       PRO  26   5.330  11.033  11.033
  161   1HD   PRO  26          2HD       PRO  26   7.676  12.191  12.191
  162   2HD   PRO  26          1HD       PRO  26   7.110  10.605  10.605
  163    H    VAL  27           H        VAL  27   3.675  14.074  14.074
  164    HA   VAL  27           HA       VAL  27   4.902  16.635  16.635
  165    HB   VAL  27           HB       VAL  27   3.222  16.056  16.056
  166   1HG1  VAL  27          3HG1      VAL  27   3.593  18.456  18.456
  167   2HG1  VAL  27          2HG1      VAL  27   5.095  18.364  18.364
  168   3HG1  VAL  27          1HG1      VAL  27   3.543  18.254  18.254
  169   1HG2  VAL  27          2HG2      VAL  27   5.794  15.165  15.165
  170   2HG2  VAL  27          1HG2      VAL  27   5.108  15.447  15.447
  171   3HG2  VAL  27          3HG2      VAL  27   6.072  16.702  16.702
  172    H    ASN  28           H        ASN  28   3.666  17.453  17.453
  173    HA   ASN  28           HA       ASN  28   1.761  17.945  17.945
  174   1HB   ASN  28          2HB       ASN  28   0.407  19.411  19.411
  175   2HB   ASN  28          1HB       ASN  28   1.758  19.283  19.283
  176   1HD2  ASN  28          1HD2      ASN  28  -1.586  18.230  18.230
  177   2HD2  ASN  28          2HD2      ASN  28  -1.869  17.688  17.688
  178    H    GLY  29           H        GLY  29   2.117  15.112  15.112
  179   1HA   GLY  29          2HA       GLY  29   0.816  13.214  13.214
  180   2HA   GLY  29          1HA       GLY  29  -0.638  14.208  14.208
  181    H    PHE  30           H        PHE  30   1.807  13.991  13.991
  182    HA   PHE  30           HA       PHE  30   0.044  12.243  12.243
  183   1HB   PHE  30          2HB       PHE  30   0.703  15.132  15.132
  184   2HB   PHE  30          1HB       PHE  30   0.086  14.022  14.022
  185    HD1  PHE  30           HD2      PHE  30  -2.144  13.012  13.012
  186    HD2  PHE  30           HD1      PHE  30  -0.696  15.929  15.929
  187    HE1  PHE  30           HE2      PHE  30  -4.458  13.351  13.351
  188    HE2  PHE  30           HE1      PHE  30  -2.989  16.261  16.261
  189    HZ   PHE  30           HZ       PHE  30  -4.880  14.978  14.978
  190    H    LEU  31           H        LEU  31   1.074  11.393  11.393
  191    HA   LEU  31           HA       LEU  31   4.028  11.898  11.898
  192   1HB   LEU  31          2HB       LEU  31   2.409   9.343   9.343
  193   2HB   LEU  31          1HB       LEU  31   4.080   9.463   9.463
  194    HG   LEU  31           HG       LEU  31   3.322  10.339  10.339
  195   1HD1  LEU  31          2HD1      LEU  31   2.553   7.999   7.999
  196   2HD1  LEU  31          1HD1      LEU  31   4.159   7.553   7.553
  197   3HD1  LEU  31          3HD1      LEU  31   3.940   8.097   8.097
  198   1HD2  LEU  31          3HD2      LEU  31   5.828   9.530   9.530
  199   2HD2  LEU  31          2HD2      LEU  31   5.493  11.044  11.044
  200   3HD2  LEU  31          1HD2      LEU  31   5.773   9.559   9.559
  201    H    SER  32           H        SER  32   4.575  12.594  12.594
  202    HA   SER  32           HA       SER  32   2.599  13.032  13.032
  203   1HB   SER  32          2HB       SER  32   4.462  13.861  13.861
  204   2HB   SER  32          1HB       SER  32   4.766  14.270  14.270
  205    HG   SER  32           HG       SER  32   6.422  13.078  13.078
  206    H    GLY  33           H        GLY  33   2.014  11.826  11.826
  207   1HA   GLY  33          2HA       GLY  33   2.299   9.055   9.055
  208   2HA   GLY  33          1HA       GLY  33   1.979  10.040  10.040
  209    H    ASP  34           H        ASP  34   4.565  11.524  11.524
  210    HA   ASP  34           HA       ASP  34   6.270   9.699   9.699
  211   1HB   ASP  34          2HB       ASP  34   6.513  12.513  12.513
  212   2HB   ASP  34          1HB       ASP  34   7.807  11.738  11.738
  213    H    LYS  35           H        LYS  35   5.773  10.412  10.412
  214    HA   LYS  35           HA       LYS  35   8.490   9.588   9.588
  215   1HB   LYS  35          2HB       LYS  35   7.418  11.439  11.439
  216   2HB   LYS  35          1HB       LYS  35   5.941  10.505  10.505
  217   1HG   LYS  35          2HG       LYS  35   7.080   8.987   8.987
  218   2HG   LYS  35          1HG       LYS  35   8.627   9.779   9.779
  219   1HD   LYS  35          2HD       LYS  35   6.195  11.048  11.048
  220   2HD   LYS  35          1HD       LYS  35   7.695  10.613  10.613
  221   1HE   LYS  35          2HE       LYS  35   7.372  12.689  12.689
  222   2HE   LYS  35          1HE       LYS  35   7.770  12.997  12.997
  223   1HZ   LYS  35          2HZ       LYS  35   9.714  11.511  11.511
  224   2HZ   LYS  35          1HZ       LYS  35   9.384  11.453  11.453
  225   3HZ   LYS  35          3HZ       LYS  35   9.806  12.925  12.925
  226    H    VAL  36           H        VAL  36   5.131   8.562   8.562
  227    HA   VAL  36           HA       VAL  36   5.676   6.001   6.001
  228    HB   VAL  36           HB       VAL  36   3.279   7.194   7.194
  229   1HG1  VAL  36          2HG1      VAL  36   3.587   4.741   4.741
  230   2HG1  VAL  36          1HG1      VAL  36   2.027   5.470   5.470
  231   3HG1  VAL  36          3HG1      VAL  36   3.034   4.804   4.804
  232   1HG2  VAL  36          3HG2      VAL  36   4.253   7.208   7.208
  233   2HG2  VAL  36          2HG2      VAL  36   3.742   8.571   8.571
  234   3HG2  VAL  36          1HG2      VAL  36   2.544   7.430   7.430
  235    H    LYS  37           H        LYS  37   5.188   7.221   7.221
  236    HA   LYS  37           HA       LYS  37   4.528   5.056   5.056
  237   1HB   LYS  37          2HB       LYS  37   6.090   7.474   7.474
  238   2HB   LYS  37          1HB       LYS  37   6.784   6.192   6.192
  239   1HG   LYS  37          2HG       LYS  37   4.719   5.830   5.830
  240   2HG   LYS  37          1HG       LYS  37   3.826   6.829   6.829
  241   1HD   LYS  37          2HD       LYS  37   4.169   8.578   8.578
  242   2HD   LYS  37          1HD       LYS  37   5.881   8.483   8.483
  243   1HE   LYS  37          2HE       LYS  37   5.773   8.339   8.339
  244   2HE   LYS  37          1HE       LYS  37   6.052   6.679   6.679
  245   1HZ   LYS  37          2HZ       LYS  37   3.449   6.705   6.705
  246   2HZ   LYS  37          1HZ       LYS  37   3.591   7.904   7.904
  247   3HZ   LYS  37          3HZ       LYS  37   4.218   6.352   6.352
  248    HA   PRO  38           HA       PRO  38   9.054   3.349   3.349
  249   1HB   PRO  38          2HB       PRO  38  10.548   4.102   4.102
  250   2HB   PRO  38          1HB       PRO  38  10.615   4.937   4.937
  251   1HG   PRO  38          2HG       PRO  38   9.077   5.646   5.646
  252   2HG   PRO  38          1HG       PRO  38  10.020   6.693   6.693
  253   1HD   PRO  38          2HD       PRO  38   7.362   6.593   6.593
  254   2HD   PRO  38          1HD       PRO  38   8.357   6.744   6.744
  255    H    VAL  39           H        VAL  39   7.313   4.037   4.037
  256    HA   VAL  39           HA       VAL  39   8.021   1.560   1.560
  257    HB   VAL  39           HB       VAL  39   6.084   3.840   3.840
  258   1HG1  VAL  39          1HG1      VAL  39   5.761   1.118   1.118
  259   2HG1  VAL  39          3HG1      VAL  39   5.633   2.434   2.434
  260   3HG1  VAL  39          2HG1      VAL  39   4.564   2.391   2.391
  261   1HG2  VAL  39          2HG2      VAL  39   8.653   3.212   3.212
  262   2HG2  VAL  39          1HG2      VAL  39   7.622   4.530   4.530
  263   3HG2  VAL  39          3HG2      VAL  39   7.595   2.977   2.977
  264    H    LEU  40           H        LEU  40   5.840   2.377   2.377
  265    HA   LEU  40           HA       LEU  40   4.103   0.017   0.017
  266   1HB   LEU  40          2HB       LEU  40   4.051   2.275   2.275
  267   2HB   LEU  40          1HB       LEU  40   2.827   1.011   1.011
  268    HG   LEU  40           HG       LEU  40   3.549   2.994   2.994
  269   1HD1  LEU  40          1HD1      LEU  40   2.149   3.785   3.785
  270   2HD1  LEU  40          3HD1      LEU  40   0.927   2.620   2.620
  271   3HD1  LEU  40          2HD1      LEU  40   1.385   3.945   3.945
  272   1HD2  LEU  40          3HD2      LEU  40   1.563   0.701   0.701
  273   2HD2  LEU  40          2HD2      LEU  40   2.977   0.840   0.840
  274   3HD2  LEU  40          1HD2      LEU  40   1.614   1.940   1.940
  275    H    LEU  41           H        LEU  41   6.723   1.129   1.129
  276    HA   LEU  41           HA       LEU  41   6.373  -1.033  -1.033
  277   1HB   LEU  41          2HB       LEU  41   8.613   0.970   0.970
  278   2HB   LEU  41          1HB       LEU  41   8.296   0.037   0.037
  279    HG   LEU  41           HG       LEU  41   6.014   1.631   1.631
  280   1HD1  LEU  41          2HD1      LEU  41   8.457   2.873   2.873
  281   2HD1  LEU  41          1HD1      LEU  41   7.925   3.229   3.229
  282   3HD1  LEU  41          3HD1      LEU  41   6.926   3.705   3.705
  283   1HD2  LEU  41          1HD2      LEU  41   7.224   0.702   0.702
  284   2HD2  LEU  41          3HD2      LEU  41   5.528   0.766   0.766
  285   3HD2  LEU  41          2HD2      LEU  41   6.346   2.230   2.230
  286    H    ASN  42           H        ASN  42   8.458  -0.246  -0.246
  287    HA   ASN  42           HA       ASN  42  10.359  -2.350  -2.350
  288   1HB   ASN  42          2HB       ASN  42  11.110  -1.783  -1.783
  289   2HB   ASN  42          1HB       ASN  42  10.410  -0.286  -0.286
  290   1HD2  ASN  42          1HD2      ASN  42   8.046   0.069   0.069
  291   2HD2  ASN  42          2HD2      ASN  42   7.528  -0.464  -0.464
  292    H    SER  43           H        SER  43   7.070  -2.456  -2.456
  293    HA   SER  43           HA       SER  43   7.121  -4.839  -4.839
  294   1HB   SER  43          2HB       SER  43   4.796  -3.737  -3.737
  295   2HB   SER  43          1HB       SER  43   4.775  -4.542  -4.542
  296    HG   SER  43           HG       SER  43   5.078  -1.932  -1.932
  297    H    LYS  44           H        LYS  44   7.977  -4.541  -4.541
  298    HA   LYS  44           HA       LYS  44   8.149  -6.112  -6.112
  299   1HB   LYS  44          2HB       LYS  44   7.688  -7.548  -7.548
  300   2HB   LYS  44          1HB       LYS  44   6.971  -8.410  -8.410
  301   1HG   LYS  44          2HG       LYS  44   9.261  -9.154  -9.154
  302   2HG   LYS  44          1HG       LYS  44   9.155  -8.144  -8.144
  303   1HD   LYS  44          2HD       LYS  44  10.045  -6.231  -6.231
  304   2HD   LYS  44          1HD       LYS  44  10.043  -7.150  -7.150
  305   1HE   LYS  44          2HE       LYS  44  11.480  -8.535  -8.535
  306   2HE   LYS  44          1HE       LYS  44  12.198  -6.966  -6.966
  307   1HZ   LYS  44          2HZ       LYS  44  11.305  -8.881  -8.881
  308   2HZ   LYS  44          1HZ       LYS  44  12.877  -8.933  -8.933
  309   3HZ   LYS  44          3HZ       LYS  44  12.342  -7.547  -7.547
  310    H    LEU  45           H        LEU  45   5.488  -4.643  -4.643
  311    HA   LEU  45           HA       LEU  45   3.513  -6.380  -6.380
  312   1HB   LEU  45          2HB       LEU  45   3.496  -3.971  -3.971
  313   2HB   LEU  45          1HB       LEU  45   2.107  -4.246  -4.246
  314    HG   LEU  45           HG       LEU  45   3.242  -6.294  -6.294
  315   1HD1  LEU  45          3HD1      LEU  45   1.680  -4.021  -4.021
  316   2HD1  LEU  45          2HD1      LEU  45   0.542  -5.369  -5.369
  317   3HD1  LEU  45          1HD1      LEU  45   1.935  -5.408  -5.408
  318   1HD2  LEU  45          1HD2      LEU  45   1.773  -6.745  -6.745
  319   2HD2  LEU  45          3HD2      LEU  45   1.707  -7.768  -7.768
  320   3HD2  LEU  45          2HD2      LEU  45   0.492  -6.514  -6.514
  321    HA   PRO  46           HA       PRO  46   3.865  -4.044  -4.044
  322   1HB   PRO  46          2HB       PRO  46   1.364  -4.436  -4.436
  323   2HB   PRO  46          1HB       PRO  46   2.619  -5.689  -5.689
  324   1HG   PRO  46          2HG       PRO  46   0.245  -5.366  -5.366
  325   2HG   PRO  46          1HG       PRO  46   1.044  -6.838  -6.838
  326   1HD   PRO  46          2HD       PRO  46   1.319  -5.754  -5.754
  327   2HD   PRO  46          1HD       PRO  46   2.453  -6.893  -6.893
  328    H    VAL  47           H        VAL  47   2.904  -2.135  -2.135
  329    HA   VAL  47           HA       VAL  47   2.223  -0.022  -0.022
  330    HB   VAL  47           HB       VAL  47   2.246  -0.458  -0.458
  331   1HG1  VAL  47          1HG1      VAL  47   1.434   2.055   2.055
  332   2HG1  VAL  47          3HG1      VAL  47   1.870   2.015   2.015
  333   3HG1  VAL  47          2HG1      VAL  47   0.450   1.136   1.136
  334   1HG2  VAL  47          3HG2      VAL  47   3.912   1.016   1.016
  335   2HG2  VAL  47          2HG2      VAL  47   4.425  -0.215  -0.215
  336   3HG2  VAL  47          1HG2      VAL  47   4.022   1.407   1.407
  337    H    ASP  48           H        ASP  48   0.278  -2.508  -2.508
  338    HA   ASP  48           HA       ASP  48  -2.205  -1.010  -1.010
  339   1HB   ASP  48          2HB       ASP  48  -1.280  -3.852  -3.852
  340   2HB   ASP  48          1HB       ASP  48  -3.000  -3.520  -3.520
  341    H    ILE  49           H        ILE  49  -0.650  -3.035  -3.035
  342    HA   ILE  49           HA       ILE  49  -2.762  -2.924  -2.924
  343    HB   ILE  49           HB       ILE  49   0.230  -3.100  -3.100
  344   1HG1  ILE  49          2HG1      ILE  49  -0.263  -4.689  -4.689
  345   2HG1  ILE  49          1HG1      ILE  49  -0.144  -5.589  -5.589
  346   1HG2  ILE  49          3HG2      ILE  49  -2.163  -3.459  -3.459
  347   2HG2  ILE  49          2HG2      ILE  49  -1.137  -4.894  -4.894
  348   3HG2  ILE  49          1HG2      ILE  49  -0.478  -3.332  -3.332
  349   1HD1  ILE  49          1HD1      ILE  49  -2.600  -5.552  -5.552
  350   2HD1  ILE  49          3HD1      ILE  49  -2.722  -4.662  -4.662
  351   3HD1  ILE  49          2HD1      ILE  49  -2.108  -6.316  -6.316
  352    H    LEU  50           H        LEU  50   0.166  -1.042  -1.042
  353    HA   LEU  50           HA       LEU  50  -0.098   0.823   0.823
  354   1HB   LEU  50          2HB       LEU  50   1.070   1.350   1.350
  355   2HB   LEU  50          1HB       LEU  50   1.607   2.008   2.008
  356    HG   LEU  50           HG       LEU  50   2.014  -0.744  -0.744
  357   1HD1  LEU  50          1HD1      LEU  50   3.740   1.072   1.072
  358   2HD1  LEU  50          3HD1      LEU  50   3.807   1.097   1.097
  359   3HD1  LEU  50          2HD1      LEU  50   4.294  -0.351  -0.351
  360   1HD2  LEU  50          3HD2      LEU  50   1.477  -0.046  -0.046
  361   2HD2  LEU  50          2HD2      LEU  50   1.308  -1.593  -1.593
  362   3HD2  LEU  50          1HD2      LEU  50   2.894  -1.054  -1.054
  363    H    GLY  51           H        GLY  51  -1.834   0.444   0.444
  364   1HA   GLY  51          2HA       GLY  51  -2.784   3.241   3.241
  365   2HA   GLY  51          1HA       GLY  51  -3.267   1.968   1.968
  366    H    ARG  52           H        ARG  52  -3.806   0.051   0.051
  367    HA   ARG  52           HA       ARG  52  -6.502   1.034   1.034
  368   1HB   ARG  52          2HB       ARG  52  -5.200  -1.467  -1.467
  369   2HB   ARG  52          1HB       ARG  52  -6.081  -1.621  -1.621
  370   1HG   ARG  52          2HG       ARG  52  -8.112  -0.746  -0.746
  371   2HG   ARG  52          1HG       ARG  52  -7.241  -0.540  -0.540
  372   1HD   ARG  52          2HD       ARG  52  -7.279  -3.245  -3.245
  373   2HD   ARG  52          1HD       ARG  52  -8.658  -2.721  -2.721
  374    HE   ARG  52           HE       ARG  52  -5.873  -2.589  -2.589
  375   1HH1  ARG  52          1HH2      ARG  52  -8.383  -4.749  -4.749
  376   2HH1  ARG  52          2HH2      ARG  52  -8.649  -4.813  -4.813
  377   1HH2  ARG  52          2HH1      ARG  52  -6.549  -2.141  -2.141
  378   2HH2  ARG  52          1HH1      ARG  52  -7.609  -3.335  -3.335
  379    H    VAL  53           H        VAL  53  -3.791  -0.702  -0.702
  380    HA   VAL  53           HA       VAL  53  -4.633  -0.522  -0.522
  381    HB   VAL  53           HB       VAL  53  -1.923  -0.343  -0.343
  382   1HG1  VAL  53          2HG1      VAL  53  -2.630   0.232   0.232
  383   2HG1  VAL  53          1HG1      VAL  53  -1.554  -1.159  -1.159
  384   3HG1  VAL  53          3HG1      VAL  53  -1.067   0.387   0.387
  385   1HG2  VAL  53          3HG2      VAL  53  -3.383  -2.445  -2.445
  386   2HG2  VAL  53          2HG2      VAL  53  -1.759  -2.652  -2.652
  387   3HG2  VAL  53          1HG2      VAL  53  -3.144  -2.541  -2.541
  388    H    TRP  54           H        TRP  54  -2.916   1.940   1.940
  389    HA   TRP  54           HA       TRP  54  -2.704   3.880   3.880
  390   1HB   TRP  54          2HB       TRP  54  -1.352   4.051   4.051
  391   2HB   TRP  54          1HB       TRP  54  -2.786   4.072   4.072
  392    HD1  TRP  54           HD1      TRP  54  -4.399   6.243   6.243
  393    HE1  TRP  54           HE1      TRP  54  -3.845   8.682   8.682
  394    HE3  TRP  54           HE3      TRP  54   0.177   5.585   5.585
  395    HZ2  TRP  54           HZ2      TRP  54  -1.728  10.165  10.165
  396    HZ3  TRP  54           HZ3      TRP  54   1.439   7.523   7.523
  397    HH2  TRP  54           HH2      TRP  54   0.494   9.810   9.810
  398    H    GLU  55           H        GLU  55  -4.972   3.786   3.786
  399    HA   GLU  55           HA       GLU  55  -6.695   5.853   5.853
  400   1HB   GLU  55          2HB       GLU  55  -7.155   3.228   3.228
  401   2HB   GLU  55          1HB       GLU  55  -8.414   4.453   4.453
  402   1HG   GLU  55          2HG       GLU  55  -5.733   5.324   5.324
  403   2HG   GLU  55          1HG       GLU  55  -6.770   4.418   4.418
  404    H    LEU  56           H        LEU  56  -6.489   2.511   2.511
  405    HA   LEU  56           HA       LEU  56  -8.881   2.721   2.721
  406   1HB   LEU  56          2HB       LEU  56  -6.714   0.607   0.607
  407   2HB   LEU  56          1HB       LEU  56  -8.287   0.382   0.382
  408    HG   LEU  56           HG       LEU  56  -8.237   1.407   1.407
  409   1HD1  LEU  56          2HD1      LEU  56  -6.636  -0.669  -0.669
  410   2HD1  LEU  56          1HD1      LEU  56  -8.160  -1.555  -1.555
  411   3HD1  LEU  56          3HD1      LEU  56  -7.722  -0.627  -0.627
  412   1HD2  LEU  56          1HD2      LEU  56 -10.018  -0.243  -0.243
  413   2HD2  LEU  56          3HD2      LEU  56 -10.413   1.203   1.203
  414   3HD2  LEU  56          2HD2      LEU  56 -10.202  -0.343  -0.343
  415    H    SER  57           H        SER  57  -5.527   3.412   3.412
  416    HA   SER  57           HA       SER  57  -5.460   3.235   3.235
  417   1HB   SER  57          2HB       SER  57  -3.412   3.650   3.650
  418   2HB   SER  57          1HB       SER  57  -3.012   3.750   3.750
  419    HG   SER  57           HG       SER  57  -4.059   1.543   1.543
  420    H    ASP  58           H        ASP  58  -5.411   5.548   5.548
  421    HA   ASP  58           HA       ASP  58  -4.763   7.824   7.824
  422   1HB   ASP  58          2HB       ASP  58  -4.099   7.464   7.464
  423   2HB   ASP  58          1HB       ASP  58  -5.775   7.845   7.845
  424    H    ILE  59           H        ILE  59  -6.797   7.034   7.034
  425    HA   ILE  59           HA       ILE  59  -9.448   7.209   7.209
  426    HB   ILE  59           HB       ILE  59  -8.024   8.516   8.516
  427   1HG1  ILE  59          2HG1      ILE  59  -7.537   6.109   6.109
  428   2HG1  ILE  59          1HG1      ILE  59  -8.572   6.395   6.395
  429   1HG2  ILE  59          2HG2      ILE  59 -10.468   9.165   9.165
  430   2HG2  ILE  59          1HG2      ILE  59 -10.865   7.507   7.507
  431   3HG2  ILE  59          3HG2      ILE  59 -10.100   8.586   8.586
  432   1HD1  ILE  59          3HD1      ILE  59 -10.555   5.793   5.793
  433   2HD1  ILE  59          2HD1      ILE  59  -9.520   5.505   5.505
  434   3HD1  ILE  59          1HD1      ILE  59  -9.384   4.474   4.474
  435    H    ASP  60           H        ASP  60  -7.150   9.866   9.866
  436    HA   ASP  60           HA       ASP  60  -9.254  11.912  11.912
  437   1HB   ASP  60          2HB       ASP  60  -7.456  12.509  12.509
  438   2HB   ASP  60          1HB       ASP  60  -6.260  11.831  11.831
  439    H    HIS  61           H        HIS  61  -6.891  10.187  10.187
  440    HA   HIS  61           HA       HIS  61  -6.532  10.208  10.208
  441   1HB   HIS  61          2HB       HIS  61  -9.345  11.311  11.311
  442   2HB   HIS  61          1HB       HIS  61  -8.620  10.859  10.859
  443    HD1  HIS  61           HD1      HIS  61  -8.276   8.349   8.349
  444    HD2  HIS  61           HD2      HIS  61  -9.949   9.104   9.104
  445    HE1  HIS  61           HE1      HIS  61  -9.100   6.122   6.122
  446    H    ASP  62           H        ASP  62  -5.285  12.321  12.321
  447    HA   ASP  62           HA       ASP  62  -5.884  14.670  14.670
  448   1HB   ASP  62          2HB       ASP  62  -5.300  16.043  16.043
  449   2HB   ASP  62          1HB       ASP  62  -6.213  14.718  14.718
  450    H    GLY  63           H        GLY  63  -3.623  12.232  12.232
  451   1HA   GLY  63          2HA       GLY  63  -1.712  12.062  12.062
  452   2HA   GLY  63          1HA       GLY  63  -1.460  13.791  13.791
  453    H    MET  64           H        MET  64  -2.394  12.306  12.306
  454    HA   MET  64           HA       MET  64   0.401  11.689  11.689
  455   1HB   MET  64          2HB       MET  64  -1.497  13.619  13.619
  456   2HB   MET  64          1HB       MET  64   0.077  13.132  13.132
  457   1HG   MET  64          2HG       MET  64   1.045  13.982  13.982
  458   2HG   MET  64          1HG       MET  64  -0.521  14.742  14.742
  459   1HE   MET  64          1HE       MET  64   2.653  14.764  14.764
  460   2HE   MET  64          3HE       MET  64   2.899  16.466  16.466
  461   3HE   MET  64          2HE       MET  64   2.843  15.242  15.242
  462    H    LEU  65           H        LEU  65   0.452  10.476  10.476
  463    HA   LEU  65           HA       LEU  65  -2.145   9.069   9.069
  464   1HB   LEU  65          2HB       LEU  65   0.720   8.182   8.182
  465   2HB   LEU  65          1HB       LEU  65  -0.371   7.248   7.248
  466    HG   LEU  65           HG       LEU  65  -0.728   7.885   7.885
  467   1HD1  LEU  65          2HD1      LEU  65   0.546   5.765   5.765
  468   2HD1  LEU  65          1HD1      LEU  65  -0.953   5.115   5.115
  469   3HD1  LEU  65          3HD1      LEU  65   0.230   5.873   5.873
  470   1HD2  LEU  65          1HD2      LEU  65  -2.593   6.701   6.701
  471   2HD2  LEU  65          3HD2      LEU  65  -2.917   7.988   7.988
  472   3HD2  LEU  65          2HD2      LEU  65  -2.762   6.322   6.322
  473    H    ASP  66           H        ASP  66  -2.786  10.078  10.078
  474    HA   ASP  66           HA       ASP  66  -0.886  11.005  11.005
  475   1HB   ASP  66          2HB       ASP  66  -2.944  12.115  12.115
  476   2HB   ASP  66          1HB       ASP  66  -3.861  10.622  10.622
  477    H    ARG  67           H        ARG  67  -1.110  10.181  10.181
  478    HA   ARG  67           HA       ARG  67  -0.088   7.628   7.628
  479   1HB   ARG  67          2HB       ARG  67  -0.784   7.909   7.909
  480   2HB   ARG  67          1HB       ARG  67  -0.345   9.489   9.489
  481   1HG   ARG  67          2HG       ARG  67  -2.778   9.867   9.867
  482   2HG   ARG  67          1HG       ARG  67  -3.139   8.372   8.372
  483   1HD   ARG  67          2HD       ARG  67  -3.410  10.319  10.319
  484   2HD   ARG  67          1HD       ARG  67  -2.042   9.325   9.325
  485    HE   ARG  67           HE       ARG  67  -0.999  11.169  11.169
  486   1HH1  ARG  67          1HH2      ARG  67  -3.061  12.938  12.938
  487   2HH1  ARG  67          2HH2      ARG  67  -2.120  13.628  13.628
  488   1HH2  ARG  67          2HH1      ARG  67   0.434  11.297  11.297
  489   2HH2  ARG  67          1HH1      ARG  67  -0.142  12.699  12.699
  490    H    ASP  68           H        ASP  68  -3.533   8.518   8.518
  491    HA   ASP  68           HA       ASP  68  -4.422   5.767   5.767
  492   1HB   ASP  68          2HB       ASP  68  -5.656   7.789   7.789
  493   2HB   ASP  68          1HB       ASP  68  -5.876   8.262   8.262
  494    H    GLU  69           H        GLU  69  -3.918   7.864   7.864
  495    HA   GLU  69           HA       GLU  69  -5.253   6.070   6.070
  496   1HB   GLU  69          2HB       GLU  69  -3.212   8.256   8.256
  497   2HB   GLU  69          1HB       GLU  69  -4.452   7.675   7.675
  498   1HG   GLU  69          2HG       GLU  69  -6.192   8.452   8.452
  499   2HG   GLU  69          1HG       GLU  69  -4.901   9.166   9.166
  500    H    PHE  70           H        PHE  70  -1.910   6.811   6.811
  501    HA   PHE  70           HA       PHE  70  -0.639   5.029   5.029
  502   1HB   PHE  70          2HB       PHE  70   0.347   6.968   6.968
  503   2HB   PHE  70          1HB       PHE  70   0.307   5.925   5.925
  504    HD1  PHE  70           HD2      PHE  70   1.737   3.939   3.939
  505    HD2  PHE  70           HD1      PHE  70   1.896   6.547   6.547
  506    HE1  PHE  70           HE2      PHE  70   3.871   2.890   2.890
  507    HE2  PHE  70           HE1      PHE  70   4.029   5.498   5.498
  508    HZ   PHE  70           HZ       PHE  70   5.014   3.671   3.671
  509    H    ALA  71           H        ALA  71  -2.132   4.606   4.606
  510    HA   ALA  71           HA       ALA  71  -0.949   2.067   2.067
  511   1HB   ALA  71          1HB       ALA  71  -2.468   3.851   3.851
  512   2HB   ALA  71          3HB       ALA  71  -3.760   2.772   2.772
  513   3HB   ALA  71          2HB       ALA  71  -2.453   2.157   2.157
  514    H    VAL  72           H        VAL  72  -4.094   2.860   2.860
  515    HA   VAL  72           HA       VAL  72  -5.019   0.241   0.241
  516    HB   VAL  72           HB       VAL  72  -5.317   2.821   2.821
  517   1HG1  VAL  72          3HG1      VAL  72  -7.038   0.323   0.323
  518   2HG1  VAL  72          2HG1      VAL  72  -7.430   1.827   1.827
  519   3HG1  VAL  72          1HG1      VAL  72  -6.035   0.877   0.877
  520   1HG2  VAL  72          3HG2      VAL  72  -5.947   2.791   2.791
  521   2HG2  VAL  72          2HG2      VAL  72  -7.250   3.233   3.233
  522   3HG2  VAL  72          1HG2      VAL  72  -7.187   1.608   1.608
  523    H    ALA  73           H        ALA  73  -2.479   2.056   2.056
  524    HA   ALA  73           HA       ALA  73  -2.456   0.342   0.342
  525   1HB   ALA  73          3HB       ALA  73  -1.608   2.938   2.938
  526   2HB   ALA  73          2HB       ALA  73  -0.168   2.045   2.045
  527   3HB   ALA  73          1HB       ALA  73  -1.526   2.221   2.221
  528    H    MET  74           H        MET  74  -0.978   0.311   0.311
  529    HA   MET  74           HA       MET  74   1.459  -1.061  -1.061
  530   1HB   MET  74          2HB       MET  74   0.255  -0.832  -0.832
  531   2HB   MET  74          1HB       MET  74   1.933  -1.183  -1.183
  532   1HG   MET  74          2HG       MET  74   0.510   1.412   1.412
  533   2HG   MET  74          1HG       MET  74   2.204   1.055   1.055
  534   1HE   MET  74          2HE       MET  74   3.446  -0.135  -0.135
  535   2HE   MET  74          1HE       MET  74   3.023  -0.237  -0.237
  536   3HE   MET  74          3HE       MET  74   4.080   1.059   1.059
  537    H    PHE  75           H        PHE  75  -1.604  -2.024  -2.024
  538    HA   PHE  75           HA       PHE  75  -0.841  -4.851  -4.851
  539   1HB   PHE  75          2HB       PHE  75  -2.860  -5.105  -5.105
  540   2HB   PHE  75          1HB       PHE  75  -2.540  -3.400  -3.400
  541    HD1  PHE  75           HD1      PHE  75  -4.556  -5.794  -5.794
  542    HD2  PHE  75           HD2      PHE  75  -3.799  -1.650  -1.650
  543    HE1  PHE  75           HE1      PHE  75  -6.663  -5.182  -5.182
  544    HE2  PHE  75           HE2      PHE  75  -5.899  -1.037  -1.037
  545    HZ   PHE  75           HZ       PHE  75  -7.333  -2.803  -2.803
  546    H    LEU  76           H        LEU  76  -2.257  -2.577  -2.577
  547    HA   LEU  76           HA       LEU  76  -3.563  -4.474  -4.474
  548   1HB   LEU  76          2HB       LEU  76  -2.950  -1.578  -1.578
  549   2HB   LEU  76          1HB       LEU  76  -3.138  -2.201  -2.201
  550    HG   LEU  76           HG       LEU  76  -5.138  -2.762  -2.762
  551   1HD1  LEU  76          2HD1      LEU  76  -4.636  -0.250  -0.250
  552   2HD1  LEU  76          1HD1      LEU  76  -5.878  -0.835  -0.835
  553   3HD1  LEU  76          3HD1      LEU  76  -6.195  -0.786  -0.786
  554   1HD2  LEU  76          3HD2      LEU  76  -4.771  -3.917  -3.917
  555   2HD2  LEU  76          2HD2      LEU  76  -6.303  -3.879  -3.879
  556   3HD2  LEU  76          1HD2      LEU  76  -5.956  -2.659  -2.659
  557    H    VAL  77           H        VAL  77  -0.393  -3.011  -3.011
  558    HA   VAL  77           HA       VAL  77   0.554  -4.080  -4.080
  559    HB   VAL  77           HB       VAL  77   1.718  -2.429  -2.429
  560   1HG1  VAL  77          2HG1      VAL  77   3.103  -4.001  -4.001
  561   2HG1  VAL  77          1HG1      VAL  77   3.422  -2.281  -2.281
  562   3HG1  VAL  77          3HG1      VAL  77   3.778  -3.045  -3.045
  563   1HG2  VAL  77          1HG2      VAL  77   0.175  -1.814  -1.814
  564   2HG2  VAL  77          3HG2      VAL  77   1.006  -0.673  -0.673
  565   3HG2  VAL  77          2HG2      VAL  77   1.817  -1.295  -1.295
  566    H    TYR  78           H        TYR  78   0.499  -4.954  -4.954
  567    HA   TYR  78           HA       TYR  78   2.730  -6.878  -6.878
  568   1HB   TYR  78          2HB       TYR  78   1.206  -5.536  -5.536
  569   2HB   TYR  78          1HB       TYR  78   1.441  -7.251  -7.251
  570    HD1  TYR  78           HD2      TYR  78   3.967  -8.010  -8.010
  571    HD2  TYR  78           HD1      TYR  78   2.820  -4.204  -4.204
  572    HE1  TYR  78           HE2      TYR  78   6.328  -7.561  -7.561
  573    HE2  TYR  78           HE1      TYR  78   5.179  -3.755  -3.755
  574    HH   TYR  78           HH       TYR  78   7.583  -4.771  -4.771
  575    H    CYS  79           H        CYS  79  -0.746  -6.773  -6.773
  576    HA   CYS  79           HA       CYS  79  -1.070  -9.685  -9.685
  577   1HB   CYS  79          2HB       CYS  79  -2.761  -7.254  -7.254
  578   2HB   CYS  79          1HB       CYS  79  -3.459  -8.794  -8.794
  579    HG   CYS  79           HG       CYS  79  -3.931  -9.141  -9.141
  580    H    ALA  80           H        ALA  80  -0.449  -7.438  -7.438
  581    HA   ALA  80           HA       ALA  80  -1.539  -9.143  -9.143
  582   1HB   ALA  80          1HB       ALA  80  -0.510  -6.452  -6.452
  583   2HB   ALA  80          3HB       ALA  80   0.212  -7.194  -7.194
  584   3HB   ALA  80          2HB       ALA  80  -1.541  -7.060  -7.060
  585    H    LEU  81           H        LEU  81   1.238  -9.065  -9.065
  586    HA   LEU  81           HA       LEU  81   3.089 -10.132 -10.132
  587   1HB   LEU  81          2HB       LEU  81   3.504  -9.989  -9.989
  588   2HB   LEU  81          1HB       LEU  81   4.703  -9.799  -9.799
  589    HG   LEU  81           HG       LEU  81   2.663  -7.839  -7.839
  590   1HD1  LEU  81          3HD1      LEU  81   5.551  -8.128  -8.128
  591   2HD1  LEU  81          2HD1      LEU  81   5.045  -6.598  -6.598
  592   3HD1  LEU  81          1HD1      LEU  81   4.573  -6.998  -6.998
  593   1HD2  LEU  81          2HD2      LEU  81   3.610  -8.192  -8.192
  594   2HD2  LEU  81          1HD2      LEU  81   2.105  -7.495  -7.495
  595   3HD2  LEU  81          3HD2      LEU  81   3.589  -6.542  -6.542
  596    H    GLU  82           H        GLU  82   1.510 -11.172 -11.172
  597    HA   GLU  82           HA       GLU  82   2.467 -13.887 -13.887
  598   1HB   GLU  82          2HB       GLU  82   0.175 -12.488 -12.488
  599   2HB   GLU  82          1HB       GLU  82   0.619 -14.165 -14.165
  600   1HG   GLU  82          2HG       GLU  82   2.874 -13.468 -13.468
  601   2HG   GLU  82          1HG       GLU  82   2.483 -11.790 -11.790
  602    H    LYS  83           H        LYS  83  -0.727 -12.449 -12.449
  603    HA   LYS  83           HA       LYS  83  -1.190 -13.993 -13.993
  604   1HB   LYS  83          2HB       LYS  83  -1.099 -15.883 -15.883
  605   2HB   LYS  83          1HB       LYS  83  -2.280 -15.114 -15.114
  606   1HG   LYS  83          2HG       LYS  83  -3.453 -15.144 -15.144
  607   2HG   LYS  83          1HG       LYS  83  -2.737 -16.740 -16.740
  608   1HD   LYS  83          2HD       LYS  83  -3.900 -16.207 -16.207
  609   2HD   LYS  83          1HD       LYS  83  -5.065 -15.558 -15.558
  610   1HE   LYS  83          2HE       LYS  83  -5.154 -17.695 -17.695
  611   2HE   LYS  83          1HE       LYS  83  -3.891 -18.358 -18.358
  612   1HZ   LYS  83          2HZ       LYS  83  -5.386 -17.675 -17.675
  613   2HZ   LYS  83          1HZ       LYS  83  -6.619 -17.485 -17.485
  614   3HZ   LYS  83          3HZ       LYS  83  -5.906 -19.006 -19.006
  615    H    GLU  84           H        GLU  84  -2.552 -12.319 -12.319
  616    HA   GLU  84           HA       GLU  84  -5.218 -11.971 -11.971
  617   1HB   GLU  84          2HB       GLU  84  -3.476 -10.924 -10.924
  618   2HB   GLU  84          1HB       GLU  84  -4.834  -9.892  -9.892
  619   1HG   GLU  84          2HG       GLU  84  -6.381 -11.792 -11.792
  620   2HG   GLU  84          1HG       GLU  84  -5.025 -12.822 -12.822
  621    HA   PRO  85           HA       PRO  85  -3.904  -8.928  -8.928
  622   1HB   PRO  85          2HB       PRO  85  -6.250  -8.953  -8.953
  623   2HB   PRO  85          1HB       PRO  85  -4.994 -10.188 -10.188
  624   1HG   PRO  85          2HG       PRO  85  -7.554 -10.324 -10.324
  625   2HG   PRO  85          1HG       PRO  85  -6.705 -11.582 -11.582
  626   1HD   PRO  85          2HD       PRO  85  -6.698 -11.355 -11.355
  627   2HD   PRO  85          1HD       PRO  85  -5.465 -12.211 -12.211
  628    H    VAL  86           H        VAL  86  -5.694  -7.078  -7.078
  629    HA   VAL  86           HA       VAL  86  -6.647  -5.679  -5.679
  630    HB   VAL  86           HB       VAL  86  -5.664  -4.628  -4.628
  631   1HG1  VAL  86          1HG1      VAL  86  -7.308  -3.154  -3.154
  632   2HG1  VAL  86          3HG1      VAL  86  -6.262  -3.155  -3.155
  633   3HG1  VAL  86          2HG1      VAL  86  -5.701  -2.434  -2.434
  634   1HG2  VAL  86          1HG2      VAL  86  -4.172  -5.735  -5.735
  635   2HG2  VAL  86          3HG2      VAL  86  -3.571  -4.554  -4.554
  636   3HG2  VAL  86          2HG2      VAL  86  -4.156  -4.022  -4.022
  637    HA   PRO  87           HA       PRO  87 -10.599  -5.837  -5.837
  638   1HB   PRO  87          2HB       PRO  87 -11.892  -3.908  -3.908
  639   2HB   PRO  87          1HB       PRO  87 -11.493  -5.506  -5.506
  640   1HG   PRO  87          2HG       PRO  87 -10.227  -2.893  -2.893
  641   2HG   PRO  87          1HG       PRO  87 -10.335  -4.318  -4.318
  642   1HD   PRO  87          2HD       PRO  87  -8.106  -3.500  -3.500
  643   2HD   PRO  87          1HD       PRO  87  -8.319  -5.071  -5.071
  644    H    MET  88           H        MET  88 -12.346  -3.751  -3.751
  645    HA   MET  88           HA       MET  88 -10.759  -2.068  -2.068
  646   1HB   MET  88          2HB       MET  88 -12.442  -3.791  -3.791
  647   2HB   MET  88          1HB       MET  88 -13.696  -2.785  -2.785
  648   1HG   MET  88          2HG       MET  88 -12.071  -1.032  -1.032
  649   2HG   MET  88          1HG       MET  88 -12.339  -2.441  -2.441
  650   1HE   MET  88          3HE       MET  88 -12.972   0.560   0.560
  651   2HE   MET  88          2HE       MET  88 -14.639   0.885   0.885
  652   3HE   MET  88          1HE       MET  88 -14.183   0.938   0.938
  653    H    SER  89           H        SER  89 -12.211  -1.769  -1.769
  654    HA   SER  89           HA       SER  89 -12.284   1.101   1.101
  655   1HB   SER  89          2HB       SER  89 -14.496  -0.346  -0.346
  656   2HB   SER  89          1HB       SER  89 -15.022   0.461   0.461
  657    HG   SER  89           HG       SER  89 -15.235   2.038   2.038
  658    H    LEU  90           H        LEU  90 -11.547  -1.172  -1.172
  659    HA   LEU  90           HA       LEU  90 -11.424  -1.623  -1.623
  660   1HB   LEU  90          2HB       LEU  90 -12.344   1.224   1.224
  661   2HB   LEU  90          1HB       LEU  90 -12.308   0.504   0.504
  662    HG   LEU  90           HG       LEU  90 -10.002   0.908   0.908
  663   1HD1  LEU  90          2HD1      LEU  90 -10.946   2.062   2.062
  664   2HD1  LEU  90          1HD1      LEU  90  -9.212   1.757   1.757
  665   3HD1  LEU  90          3HD1      LEU  90  -9.996   2.803   2.803
  666   1HD2  LEU  90          3HD2      LEU  90 -10.390  -1.117  -1.117
  667   2HD2  LEU  90          2HD2      LEU  90  -9.248  -1.106  -1.106
  668   3HD2  LEU  90          1HD2      LEU  90  -8.891  -0.196  -0.196
  669    HA   PRO  91           HA       PRO  91 -15.617  -3.097  -3.097
  670   1HB   PRO  91          2HB       PRO  91 -15.011  -4.842  -4.842
  671   2HB   PRO  91          1HB       PRO  91 -14.741  -5.217  -5.217
  672   1HG   PRO  91          2HG       PRO  91 -12.818  -4.323  -4.323
  673   2HG   PRO  91          1HG       PRO  91 -12.597  -5.488  -5.488
  674   1HD   PRO  91          2HD       PRO  91 -11.653  -2.931  -2.931
  675   2HD   PRO  91          1HD       PRO  91 -12.093  -3.864  -3.864
  676    HA   PRO  92           HA       PRO  92 -17.066  -0.827  -0.827
  677   1HB   PRO  92          2HB       PRO  92 -18.570  -2.561  -2.561
  678   2HB   PRO  92          1HB       PRO  92 -19.108  -1.899  -1.899
  679   1HG   PRO  92          2HG       PRO  92 -17.855  -4.544  -4.544
  680   2HG   PRO  92          1HG       PRO  92 -19.234  -4.167  -4.167
  681   1HD   PRO  92          2HD       PRO  92 -16.792  -4.622  -4.622
  682   2HD   PRO  92          1HD       PRO  92 -17.883  -3.419  -3.419
  683    H    ALA  93           H        ALA  93 -15.023  -3.481  -3.481
  684    HA   ALA  93           HA       ALA  93 -14.784  -2.827  -2.827
  685   1HB   ALA  93          1HB       ALA  93 -14.289  -5.102  -5.102
  686   2HB   ALA  93          3HB       ALA  93 -12.980  -4.834  -4.834
  687   3HB   ALA  93          2HB       ALA  93 -14.629  -5.092  -5.092
  688    H    LEU  94           H        LEU  94 -13.523  -1.585  -1.585
  689    HA   LEU  94           HA       LEU  94 -10.805  -1.220  -1.220
  690   1HB   LEU  94          2HB       LEU  94 -11.871  -1.543  -1.543
  691   2HB   LEU  94          1HB       LEU  94 -10.393  -0.613  -0.613
  692    HG   LEU  94           HG       LEU  94  -9.841  -2.943  -2.943
  693   1HD1  LEU  94          3HD1      LEU  94  -9.387  -2.167  -2.167
  694   2HD1  LEU  94          2HD1      LEU  94  -8.515  -3.437  -3.437
  695   3HD1  LEU  94          1HD1      LEU  94  -8.360  -1.761  -1.761
  696   1HD2  LEU  94          1HD2      LEU  94 -12.157  -3.458  -3.458
  697   2HD2  LEU  94          3HD2      LEU  94 -11.058  -4.652  -4.652
  698   3HD2  LEU  94          2HD2      LEU  94 -10.841  -4.105  -4.105
  699    H    VAL  95           H        VAL  95 -13.072   0.513   0.513
  700    HA   VAL  95           HA       VAL  95 -11.912   3.069   3.069
  701    HB   VAL  95           HB       VAL  95 -13.822   2.251   2.251
  702   1HG1  VAL  95          1HG1      VAL  95 -15.056   1.504   1.504
  703   2HG1  VAL  95          3HG1      VAL  95 -15.675   3.155   3.155
  704   3HG1  VAL  95          2HG1      VAL  95 -15.978   2.053   2.053
  705   1HG2  VAL  95          1HG2      VAL  95 -14.042   4.871   4.871
  706   2HG2  VAL  95          3HG2      VAL  95 -13.232   4.590   4.590
  707   3HG2  VAL  95          2HG2      VAL  95 -14.992   4.499   4.499
  708    HA   PRO  96           HA       PRO  96 -12.629   3.613   3.613
  709   1HB   PRO  96          2HB       PRO  96 -11.194   5.934   5.934
  710   2HB   PRO  96          1HB       PRO  96 -10.433   4.332   4.332
  711   1HG   PRO  96          2HG       PRO  96 -10.732   6.342   6.342
  712   2HG   PRO  96          1HG       PRO  96  -9.372   5.271   5.271
  713   1HD   PRO  96          2HD       PRO  96 -11.172   4.794   4.794
  714   2HD   PRO  96          1HD       PRO  96 -10.275   3.512   3.512
  715    HA   PRO  97           HA       PRO  97 -15.809   6.651   6.651
  716   1HB   PRO  97          2HB       PRO  97 -15.394   8.008   8.008
  717   2HB   PRO  97          1HB       PRO  97 -16.003   6.342   6.342
  718   1HG   PRO  97          2HG       PRO  97 -13.253   7.334   7.334
  719   2HG   PRO  97          1HG       PRO  97 -14.142   5.992   5.992
  720   1HD   PRO  97          2HD       PRO  97 -12.210   5.658   5.658
  721   2HD   PRO  97          1HD       PRO  97 -13.557   4.523   4.523
  722    H    SER  98           H        SER  98 -16.219   9.092   9.092
  723    HA   SER  98           HA       SER  98 -15.633  11.342  11.342
  724   1HB   SER  98          2HB       SER  98 -12.783  10.480  10.480
  725   2HB   SER  98          1HB       SER  98 -13.386  12.005  12.005
  726    HG   SER  98           HG       SER  98 -13.120  11.113  11.113
  727    H    LYS  99           H        LYS  99 -14.339   8.730   8.730
  728    HA   LYS  99           HA       LYS  99 -14.350  10.424  10.424
  729   1HB   LYS  99          2HB       LYS  99 -12.576   8.769   8.769
  730   2HB   LYS  99          1HB       LYS  99 -13.774   7.491   7.491
  731   1HG   LYS  99          2HG       LYS  99 -12.807   7.493   7.493
  732   2HG   LYS  99          1HG       LYS  99 -14.547   7.789   7.789
  733   1HD   LYS  99          2HD       LYS  99 -14.233  10.144  10.144
  734   2HD   LYS  99          1HD       LYS  99 -12.503  10.022  10.022
  735   1HE   LYS  99          2HE       LYS  99 -12.092   8.884   8.884
  736   2HE   LYS  99          1HE       LYS  99 -13.820   8.562   8.562
  737   1HZ   LYS  99          3HZ       LYS  99 -13.856  11.196  11.196
  738   2HZ   LYS  99          2HZ       LYS  99 -12.322  11.028  11.028
  739   3HZ   LYS  99          1HZ       LYS  99 -13.703  10.459  10.459
  740    H    ARG 100           H        ARG 100 -16.647   8.892   8.892
  741    HA   ARG 100           HA       ARG 100 -18.436   8.557   8.557
  742   1HB   ARG 100          2HB       ARG 100 -19.315   6.491   6.491
  743   2HB   ARG 100          1HB       ARG 100 -17.639   6.350   6.350
  744   1HG   ARG 100          2HG       ARG 100 -16.814   6.352   6.352
  745   2HG   ARG 100          1HG       ARG 100 -18.090   7.409   7.409
  746   1HD   ARG 100          2HD       ARG 100 -18.227   5.008   5.008
  747   2HD   ARG 100          1HD       ARG 100 -19.689   5.569   5.569
  748    HE   ARG 100           HE       ARG 100 -17.580   4.186   4.186
  749   1HH1  ARG 100          1HH2      ARG 100 -20.480   3.853   3.853
  750   2HH1  ARG 100          2HH2      ARG 100 -21.227   2.781   2.781
  751   1HH2  ARG 100          2HH1      ARG 100 -18.651   3.006   3.006
  752   2HH2  ARG 100          1HH1      ARG 100 -20.192   2.302   2.302

  Start of MODEL    4
    1    HA   PRO   6           HA       PRO   6 -14.410  -3.912  -3.912
    2   1HB   PRO   6          2HB       PRO   6 -11.974  -5.005  -5.005
    3   2HB   PRO   6          1HB       PRO   6 -13.457  -5.404  -5.404
    4   1HG   PRO   6          2HG       PRO   6 -12.049  -6.944  -6.944
    5   2HG   PRO   6          1HG       PRO   6 -12.881  -7.520  -7.520
    6   1HD   PRO   6          2HD       PRO   6 -13.958  -7.612  -7.612
    7   2HD   PRO   6          1HD       PRO   6 -14.923  -7.542  -7.542
    8    H    TRP   7           H        TRP   7 -11.925  -2.915  -2.915
    9    HA   TRP   7           HA       TRP   7 -11.670  -2.026  -2.026
   10   1HB   TRP   7          2HB       TRP   7 -11.129  -0.732  -0.732
   11   2HB   TRP   7          1HB       TRP   7  -9.740  -1.793  -1.793
   12    HD1  TRP   7           HD1      TRP   7 -10.393  -1.154  -1.154
   13    HE1  TRP   7           HE1      TRP   7  -8.697   0.536   0.536
   14    HE3  TRP   7           HE3      TRP   7  -8.331   0.537   0.537
   15    HZ2  TRP   7           HZ2      TRP   7  -6.720   2.374   2.374
   16    HZ3  TRP   7           HZ3      TRP   7  -6.547   2.256   2.256
   17    HH2  TRP   7           HH2      TRP   7  -5.739   3.177   3.177
   18    H    ALA   8           H        ALA   8 -10.807  -3.339  -3.339
   19    HA   ALA   8           HA       ALA   8  -9.503  -5.754  -5.754
   20   1HB   ALA   8          1HB       ALA   8 -10.159  -4.125  -4.125
   21   2HB   ALA   8          3HB       ALA   8  -8.453  -3.687  -3.687
   22   3HB   ALA   8          2HB       ALA   8  -8.919  -5.358  -5.358
   23    H    VAL   9           H        VAL   9  -8.168  -2.588  -2.588
   24    HA   VAL   9           HA       VAL   9  -5.444  -3.742  -3.742
   25    HB   VAL   9           HB       VAL   9  -6.629  -0.961  -0.961
   26   1HG1  VAL   9          3HG1      VAL   9  -4.085  -1.877  -1.877
   27   2HG1  VAL   9          2HG1      VAL   9  -3.934  -0.548  -0.548
   28   3HG1  VAL   9          1HG1      VAL   9  -4.980  -0.380  -0.380
   29   1HG2  VAL   9          1HG2      VAL   9  -5.319  -2.804  -2.804
   30   2HG2  VAL   9          3HG2      VAL   9  -6.105  -1.267  -1.267
   31   3HG2  VAL   9          2HG2      VAL   9  -4.407  -1.299  -1.299
   32    H    LYS  10           H        LYS  10  -4.414  -3.631  -3.631
   33    HA   LYS  10           HA       LYS  10  -6.284  -3.216  -3.216
   34   1HB   LYS  10          2HB       LYS  10  -4.107  -5.115  -5.115
   35   2HB   LYS  10          1HB       LYS  10  -4.211  -4.664  -4.664
   36   1HG   LYS  10          2HG       LYS  10  -5.951  -6.059  -6.059
   37   2HG   LYS  10          1HG       LYS  10  -6.861  -5.168  -5.168
   38   1HD   LYS  10          2HD       LYS  10  -5.479  -6.503  -6.503
   39   2HD   LYS  10          1HD       LYS  10  -5.069  -7.565  -7.565
   40   1HE   LYS  10          2HE       LYS  10  -7.490  -7.934  -7.934
   41   2HE   LYS  10          1HE       LYS  10  -7.879  -6.910  -6.910
   42   1HZ   LYS  10          1HZ       LYS  10  -6.260  -8.412  -8.412
   43   2HZ   LYS  10          3HZ       LYS  10  -6.440  -9.493  -9.493
   44   3HZ   LYS  10          2HZ       LYS  10  -7.792  -9.051  -9.051
   45    HA   PRO  11           HA       PRO  11  -3.678  -0.097  -0.097
   46   1HB   PRO  11          2HB       PRO  11  -3.242  -0.890  -0.890
   47   2HB   PRO  11          1HB       PRO  11  -4.796  -0.241  -0.241
   48   1HG   PRO  11          2HG       PRO  11  -3.972  -3.073  -3.073
   49   2HG   PRO  11          1HG       PRO  11  -5.509  -2.277  -2.277
   50   1HD   PRO  11          2HD       PRO  11  -5.178  -3.856  -3.856
   51   2HD   PRO  11          1HD       PRO  11  -6.289  -2.467  -2.467
   52    H    GLU  12           H        GLU  12  -2.622  -3.415  -3.415
   53    HA   GLU  12           HA       GLU  12   0.190  -2.690  -2.690
   54   1HB   GLU  12          2HB       GLU  12   0.450  -5.118  -5.118
   55   2HB   GLU  12          1HB       GLU  12  -1.001  -4.656  -4.656
   56   1HG   GLU  12          2HG       GLU  12  -2.421  -5.291  -5.291
   57   2HG   GLU  12          1HG       GLU  12  -1.019  -5.575  -5.575
   58    H    ASP  13           H        ASP  13  -1.896  -3.592  -3.592
   59    HA   ASP  13           HA       ASP  13   0.332  -4.143  -4.143
   60   1HB   ASP  13          2HB       ASP  13  -2.661  -4.119  -4.119
   61   2HB   ASP  13          1HB       ASP  13  -1.841  -3.957  -3.957
   62    H    LYS  14           H        LYS  14  -2.046  -1.583  -1.583
   63    HA   LYS  14           HA       LYS  14  -1.152   0.159   0.159
   64   1HB   LYS  14          2HB       LYS  14  -3.347   0.109   0.109
   65   2HB   LYS  14          1HB       LYS  14  -2.430   0.980   0.980
   66   1HG   LYS  14          2HG       LYS  14  -1.933   2.213   2.213
   67   2HG   LYS  14          1HG       LYS  14  -3.677   2.047   2.047
   68   1HD   LYS  14          2HD       LYS  14  -3.248   2.955   2.955
   69   2HD   LYS  14          1HD       LYS  14  -1.706   3.506   3.506
   70   1HE   LYS  14          2HE       LYS  14  -3.414   4.369   4.369
   71   2HE   LYS  14          1HE       LYS  14  -4.429   4.541   4.541
   72   1HZ   LYS  14          2HZ       LYS  14  -2.306   5.491   5.491
   73   2HZ   LYS  14          1HZ       LYS  14  -1.779   5.723   5.723
   74   3HZ   LYS  14          3HZ       LYS  14  -3.189   6.490   6.490
   75    H    ALA  15           H        ALA  15   0.070  -0.724  -0.724
   76    HA   ALA  15           HA       ALA  15   1.532   1.677   1.677
   77   1HB   ALA  15          2HB       ALA  15   1.740  -1.260  -1.260
   78   2HB   ALA  15          1HB       ALA  15   2.763  -0.025  -0.025
   79   3HB   ALA  15          3HB       ALA  15   1.014   0.032   0.032
   80    H    LYS  16           H        LYS  16   2.355  -1.347  -1.347
   81    HA   LYS  16           HA       LYS  16   5.111  -0.602  -0.602
   82   1HB   LYS  16          2HB       LYS  16   5.183  -2.693  -2.693
   83   2HB   LYS  16          1HB       LYS  16   3.716  -2.890  -2.890
   84   1HG   LYS  16          2HG       LYS  16   2.367  -2.206  -2.206
   85   2HG   LYS  16          1HG       LYS  16   3.840  -2.061  -2.061
   86   1HD   LYS  16          2HD       LYS  16   3.904  -4.616  -4.616
   87   2HD   LYS  16          1HD       LYS  16   2.294  -4.420  -4.420
   88   1HE   LYS  16          2HE       LYS  16   3.338  -5.127  -5.127
   89   2HE   LYS  16          1HE       LYS  16   3.847  -3.430  -3.430
   90   1HZ   LYS  16          3HZ       LYS  16   5.762  -4.037  -4.037
   91   2HZ   LYS  16          2HZ       LYS  16   5.325  -5.671  -5.671
   92   3HZ   LYS  16          1HZ       LYS  16   5.801  -4.771  -4.771
   93    H    TYR  17           H        TYR  17   2.036  -0.017  -0.017
   94    HA   TYR  17           HA       TYR  17   3.025   0.882   0.882
   95   1HB   TYR  17          2HB       TYR  17   0.512   1.530   1.530
   96   2HB   TYR  17          1HB       TYR  17   0.728   1.842   1.842
   97    HD1  TYR  17           HD2      TYR  17   2.526  -1.046  -1.046
   98    HD2  TYR  17           HD1      TYR  17  -1.548   0.308   0.308
   99    HE1  TYR  17           HE2      TYR  17   1.756  -3.344  -3.344
  100    HE2  TYR  17           HE1      TYR  17  -2.322  -1.988  -1.988
  101    HH   TYR  17           HH       TYR  17  -0.231  -4.427  -4.427
  102    H    ASP  18           H        ASP  18   2.322   2.396   2.396
  103    HA   ASP  18           HA       ASP  18   2.748   5.134   5.134
  104   1HB   ASP  18          2HB       ASP  18   2.464   3.534   3.534
  105   2HB   ASP  18          1HB       ASP  18   3.218   5.121   5.121
  106    H    ALA  19           H        ALA  19   4.882   2.523   2.523
  107    HA   ALA  19           HA       ALA  19   7.210   4.226   4.226
  108   1HB   ALA  19          1HB       ALA  19   6.837   1.941   1.941
  109   2HB   ALA  19          3HB       ALA  19   6.957   1.261   1.261
  110   3HB   ALA  19          2HB       ALA  19   8.356   2.045   2.045
  111    H    ILE  20           H        ILE  20   5.762   2.414   2.414
  112    HA   ILE  20           HA       ILE  20   7.917   2.912   2.912
  113    HB   ILE  20           HB       ILE  20   5.130   1.734   1.734
  114   1HG1  ILE  20          2HG1      ILE  20   7.623   0.351   0.351
  115   2HG1  ILE  20          1HG1      ILE  20   7.378   0.590   0.590
  116   1HG2  ILE  20          1HG2      ILE  20   5.575   2.971   2.971
  117   2HG2  ILE  20          3HG2      ILE  20   6.932   1.880   1.880
  118   3HG2  ILE  20          2HG2      ILE  20   5.291   1.242   1.242
  119   1HD1  ILE  20          2HD1      ILE  20   4.896  -0.304  -0.304
  120   2HD1  ILE  20          1HD1      ILE  20   6.038  -1.266  -1.266
  121   3HD1  ILE  20          3HD1      ILE  20   6.112  -1.282  -1.282
  122    H    PHE  21           H        PHE  21   4.880   4.314   4.314
  123    HA   PHE  21           HA       PHE  21   4.573   6.134   6.134
  124   1HB   PHE  21          2HB       PHE  21   2.541   5.798   5.798
  125   2HB   PHE  21          1HB       PHE  21   3.287   5.461   5.461
  126    HD1  PHE  21           HD2      PHE  21   4.333   7.490   7.490
  127    HD2  PHE  21           HD1      PHE  21   1.464   7.859   7.859
  128    HE1  PHE  21           HE2      PHE  21   3.770   9.774   9.774
  129    HE2  PHE  21           HE1      PHE  21   0.897  10.145  10.145
  130    HZ   PHE  21           HZ       PHE  21   2.053  11.101  11.101
  131    H    ASP  22           H        ASP  22   5.987   6.220   6.220
  132    HA   ASP  22           HA       ASP  22   6.734   9.064   9.064
  133   1HB   ASP  22          2HB       ASP  22   5.955   8.155   8.155
  134   2HB   ASP  22          1HB       ASP  22   7.198   6.903   6.903
  135    H    SER  23           H        SER  23   7.948   6.191   6.191
  136    HA   SER  23           HA       SER  23  10.816   6.847   6.847
  137   1HB   SER  23          2HB       SER  23  10.111   4.525   4.525
  138   2HB   SER  23          1HB       SER  23   9.269   4.612   4.612
  139    HG   SER  23           HG       SER  23  11.831   4.037   4.037
  140    H    LEU  24           H        LEU  24   8.363   7.885   7.885
  141    HA   LEU  24           HA       LEU  24  10.061   8.239   8.239
  142   1HB   LEU  24          2HB       LEU  24   7.147   8.820   8.820
  143   2HB   LEU  24          1HB       LEU  24   8.116   7.975   7.975
  144    HG   LEU  24           HG       LEU  24   7.292   6.809   6.809
  145   1HD1  LEU  24          3HD1      LEU  24   5.592   7.320   7.320
  146   2HD1  LEU  24          2HD1      LEU  24   6.192   5.728   5.728
  147   3HD1  LEU  24          1HD1      LEU  24   5.408   5.955   5.955
  148   1HD2  LEU  24          2HD2      LEU  24   9.058   5.979   5.979
  149   2HD2  LEU  24          1HD2      LEU  24   8.979   5.385   5.385
  150   3HD2  LEU  24          3HD2      LEU  24   7.863   4.759   4.759
  151    H    SER  25           H        SER  25   8.900   9.787   9.787
  152    HA   SER  25           HA       SER  25   9.193  12.067  12.067
  153   1HB   SER  25          2HB       SER  25   9.420  12.848  12.848
  154   2HB   SER  25          1HB       SER  25  10.217  13.546  13.546
  155    HG   SER  25           HG       SER  25  11.764  12.337  12.337
  156    HA   PRO  26           HA       PRO  26   4.785  12.326  12.326
  157   1HB   PRO  26          2HB       PRO  26   3.907  12.721  12.721
  158   2HB   PRO  26          1HB       PRO  26   4.216  11.107  11.107
  159   1HG   PRO  26          2HG       PRO  26   5.898  12.760  12.760
  160   2HG   PRO  26          1HG       PRO  26   5.624  11.010  11.010
  161   1HD   PRO  26          2HD       PRO  26   7.874  12.197  12.197
  162   2HD   PRO  26          1HD       PRO  26   7.249  10.630  10.630
  163    H    VAL  27           H        VAL  27   3.564  14.197  14.197
  164    HA   VAL  27           HA       VAL  27   4.802  16.725  16.725
  165    HB   VAL  27           HB       VAL  27   3.112  16.218  16.218
  166   1HG1  VAL  27          2HG1      VAL  27   3.075  18.536  18.536
  167   2HG1  VAL  27          1HG1      VAL  27   4.797  18.635  18.635
  168   3HG1  VAL  27          3HG1      VAL  27   3.620  18.476  18.476
  169   1HG2  VAL  27          1HG2      VAL  27   5.677  15.382  15.382
  170   2HG2  VAL  27          3HG2      VAL  27   5.032  15.882  15.882
  171   3HG2  VAL  27          2HG2      VAL  27   5.958  17.022  17.022
  172    H    ASN  28           H        ASN  28   3.549  17.389  17.389
  173    HA   ASN  28           HA       ASN  28   1.616  17.910  17.910
  174   1HB   ASN  28          2HB       ASN  28   1.408  19.235  19.235
  175   2HB   ASN  28          1HB       ASN  28   0.288  17.980  17.980
  176   1HD2  ASN  28          1HD2      ASN  28  -1.553  17.526  17.526
  177   2HD2  ASN  28          2HD2      ASN  28  -2.216  18.891  18.891
  178    H    GLY  29           H        GLY  29   2.183  15.044  15.044
  179   1HA   GLY  29          2HA       GLY  29   1.086  13.044  13.044
  180   2HA   GLY  29          1HA       GLY  29  -0.437  13.936  13.936
  181    H    PHE  30           H        PHE  30   1.759  14.022  14.022
  182    HA   PHE  30           HA       PHE  30  -0.025  12.214  12.214
  183   1HB   PHE  30          2HB       PHE  30   0.597  15.124  15.124
  184   2HB   PHE  30          1HB       PHE  30  -0.144  14.035  14.035
  185    HD1  PHE  30           HD2      PHE  30  -2.335  12.958  12.958
  186    HD2  PHE  30           HD1      PHE  30  -0.664  16.051  16.051
  187    HE1  PHE  30           HE2      PHE  30  -4.563  13.341  13.341
  188    HE2  PHE  30           HE1      PHE  30  -2.877  16.433  16.433
  189    HZ   PHE  30           HZ       PHE  30  -4.834  15.079  15.079
  190    H    LEU  31           H        LEU  31   0.946  11.568  11.568
  191    HA   LEU  31           HA       LEU  31   3.861  12.189  12.189
  192   1HB   LEU  31          2HB       LEU  31   2.486   9.504   9.504
  193   2HB   LEU  31          1HB       LEU  31   4.078   9.691   9.691
  194    HG   LEU  31           HG       LEU  31   3.587  10.885  10.885
  195   1HD1  LEU  31          1HD1      LEU  31   2.858   8.359   8.359
  196   2HD1  LEU  31          3HD1      LEU  31   4.598   8.068   8.068
  197   3HD1  LEU  31          2HD1      LEU  31   3.870   8.876   8.876
  198   1HD2  LEU  31          1HD2      LEU  31   5.847  10.132  10.132
  199   2HD2  LEU  31          3HD2      LEU  31   5.730  11.422  11.422
  200   3HD2  LEU  31          2HD2      LEU  31   6.079   9.767   9.767
  201    H    SER  32           H        SER  32   4.293  12.719  12.719
  202    HA   SER  32           HA       SER  32   2.209  12.638  12.638
  203   1HB   SER  32          2HB       SER  32   5.086  13.107  13.107
  204   2HB   SER  32          1HB       SER  32   3.662  14.010  14.010
  205    HG   SER  32           HG       SER  32   4.371  15.322  15.322
  206    H    GLY  33           H        GLY  33   1.946  11.160  11.160
  207   1HA   GLY  33          2HA       GLY  33   2.794   8.534   8.534
  208   2HA   GLY  33          1HA       GLY  33   2.439   9.330   9.330
  209    H    ASP  34           H        ASP  34   4.613  11.289  11.289
  210    HA   ASP  34           HA       ASP  34   6.706  10.005  10.005
  211   1HB   ASP  34          2HB       ASP  34   6.697  12.404  12.404
  212   2HB   ASP  34          1HB       ASP  34   8.006  12.026  12.026
  213    H    LYS  35           H        LYS  35   6.005  10.058  10.058
  214    HA   LYS  35           HA       LYS  35   8.653   8.831   8.831
  215   1HB   LYS  35          2HB       LYS  35   6.558   9.518   9.518
  216   2HB   LYS  35          1HB       LYS  35   8.310   9.668   9.668
  217   1HG   LYS  35          2HG       LYS  35   8.110  11.501  11.501
  218   2HG   LYS  35          1HG       LYS  35   6.376  11.476  11.476
  219   1HD   LYS  35          2HD       LYS  35   7.135  11.656  11.656
  220   2HD   LYS  35          1HD       LYS  35   8.639  12.267  12.267
  221   1HE   LYS  35          2HE       LYS  35   5.979  13.412  13.412
  222   2HE   LYS  35          1HE       LYS  35   6.814  14.011  14.011
  223   1HZ   LYS  35          2HZ       LYS  35   8.864  14.063  14.063
  224   2HZ   LYS  35          1HZ       LYS  35   7.759  14.005  14.005
  225   3HZ   LYS  35          3HZ       LYS  35   7.711  15.295  15.295
  226    H    VAL  36           H        VAL  36   5.175   8.401   8.401
  227    HA   VAL  36           HA       VAL  36   5.390   5.734   5.734
  228    HB   VAL  36           HB       VAL  36   3.078   7.198   7.198
  229   1HG1  VAL  36          3HG1      VAL  36   3.322   4.804   4.804
  230   2HG1  VAL  36          2HG1      VAL  36   1.854   5.779   5.779
  231   3HG1  VAL  36          1HG1      VAL  36   2.385   4.981   4.981
  232   1HG2  VAL  36          2HG2      VAL  36   4.470   7.515   7.515
  233   2HG2  VAL  36          1HG2      VAL  36   3.563   8.699   8.699
  234   3HG2  VAL  36          3HG2      VAL  36   2.708   7.520   7.520
  235    H    LYS  37           H        LYS  37   4.319   7.005   7.005
  236    HA   LYS  37           HA       LYS  37   3.607   4.679   4.679
  237   1HB   LYS  37          2HB       LYS  37   3.616   6.962   6.962
  238   2HB   LYS  37          1HB       LYS  37   5.370   6.884   6.884
  239   1HG   LYS  37          2HG       LYS  37   5.186   4.941   4.941
  240   2HG   LYS  37          1HG       LYS  37   3.430   4.973   4.973
  241   1HD   LYS  37          2HD       LYS  37   3.336   6.421   6.421
  242   2HD   LYS  37          1HD       LYS  37   4.210   7.594   7.594
  243   1HE   LYS  37          2HE       LYS  37   6.360   6.693   6.693
  244   2HE   LYS  37          1HE       LYS  37   5.509   5.461   5.461
  245   1HZ   LYS  37          3HZ       LYS  37   4.523   8.142   8.142
  246   2HZ   LYS  37          2HZ       LYS  37   6.130   7.932   7.932
  247   3HZ   LYS  37          1HZ       LYS  37   4.900   6.949   6.949
  248    HA   PRO  38           HA       PRO  38   8.182   3.603   3.603
  249   1HB   PRO  38          2HB       PRO  38  10.090   4.723   4.723
  250   2HB   PRO  38          1HB       PRO  38   9.598   5.437   5.437
  251   1HG   PRO  38          2HG       PRO  38   8.753   6.151   6.151
  252   2HG   PRO  38          1HG       PRO  38   9.146   7.211   7.211
  253   1HD   PRO  38          2HD       PRO  38   6.606   6.682   6.682
  254   2HD   PRO  38          1HD       PRO  38   7.078   6.952   6.952
  255    H    VAL  39           H        VAL  39   7.302   4.400   4.400
  256    HA   VAL  39           HA       VAL  39   8.614   2.226   2.226
  257    HB   VAL  39           HB       VAL  39   6.411   4.200   4.200
  258   1HG1  VAL  39          3HG1      VAL  39   6.571   1.570   1.570
  259   2HG1  VAL  39          2HG1      VAL  39   6.632   2.908   2.908
  260   3HG1  VAL  39          1HG1      VAL  39   5.271   2.763   2.763
  261   1HG2  VAL  39          3HG2      VAL  39   9.116   4.157   4.157
  262   2HG2  VAL  39          2HG2      VAL  39   7.979   5.196   5.196
  263   3HG2  VAL  39          1HG2      VAL  39   8.490   3.667   3.667
  264    H    LEU  40           H        LEU  40   5.707   2.482   2.482
  265    HA   LEU  40           HA       LEU  40   4.603  -0.082  -0.082
  266   1HB   LEU  40          2HB       LEU  40   3.846   1.813   1.813
  267   2HB   LEU  40          1HB       LEU  40   2.860   0.466   0.466
  268    HG   LEU  40           HG       LEU  40   3.597   2.996   2.996
  269   1HD1  LEU  40          3HD1      LEU  40   1.048   1.600   1.600
  270   2HD1  LEU  40          2HD1      LEU  40   1.065   2.865   2.865
  271   3HD1  LEU  40          1HD1      LEU  40   1.583   3.228   3.228
  272   1HD2  LEU  40          3HD2      LEU  40   2.696   0.326   0.326
  273   2HD2  LEU  40          2HD2      LEU  40   4.014   1.352   1.352
  274   3HD2  LEU  40          1HD2      LEU  40   2.337   1.828   1.828
  275    H    LEU  41           H        LEU  41   6.849   1.042   1.042
  276    HA   LEU  41           HA       LEU  41   6.511  -1.121  -1.121
  277   1HB   LEU  41          2HB       LEU  41   8.512   1.065   1.065
  278   2HB   LEU  41          1HB       LEU  41   8.841  -0.157  -0.157
  279    HG   LEU  41           HG       LEU  41   6.258   1.402   1.402
  280   1HD1  LEU  41          2HD1      LEU  41   8.913   2.385   2.385
  281   2HD1  LEU  41          1HD1      LEU  41   7.964   2.369   2.369
  282   3HD1  LEU  41          3HD1      LEU  41   7.378   3.252   3.252
  283   1HD2  LEU  41          1HD2      LEU  41   6.681  -0.790  -0.790
  284   2HD2  LEU  41          3HD2      LEU  41   6.021   0.586   0.586
  285   3HD2  LEU  41          2HD2      LEU  41   7.737   0.194   0.194
  286    H    ASN  42           H        ASN  42   8.279  -0.516  -0.516
  287    HA   ASN  42           HA       ASN  42  10.297  -2.529  -2.529
  288   1HB   ASN  42          2HB       ASN  42   8.791  -1.403  -1.403
  289   2HB   ASN  42          1HB       ASN  42  10.299  -2.313  -2.313
  290   1HD2  ASN  42          1HD2      ASN  42   8.871   0.749   0.749
  291   2HD2  ASN  42          2HD2      ASN  42  10.341   1.577   1.577
  292    H    SER  43           H        SER  43   6.899  -2.769  -2.769
  293    HA   SER  43           HA       SER  43   6.794  -5.315  -5.315
  294   1HB   SER  43          2HB       SER  43   4.524  -4.531  -4.531
  295   2HB   SER  43          1HB       SER  43   4.582  -4.799  -4.799
  296    HG   SER  43           HG       SER  43   4.771  -2.483  -2.483
  297    H    LYS  44           H        LYS  44   7.923  -4.581  -4.581
  298    HA   LYS  44           HA       LYS  44   8.365  -5.923  -5.923
  299   1HB   LYS  44          2HB       LYS  44   7.885  -7.672  -7.672
  300   2HB   LYS  44          1HB       LYS  44   7.435  -8.447  -8.447
  301   1HG   LYS  44          2HG       LYS  44   9.587  -8.604  -8.604
  302   2HG   LYS  44          1HG       LYS  44   9.967  -6.968  -6.968
  303   1HD   LYS  44          2HD       LYS  44  11.247  -8.174  -8.174
  304   2HD   LYS  44          1HD       LYS  44   9.734  -8.085  -8.085
  305   1HE   LYS  44          2HE       LYS  44   9.148 -10.311 -10.311
  306   2HE   LYS  44          1HE       LYS  44  10.252 -10.376 -10.376
  307   1HZ   LYS  44          1HZ       LYS  44  11.946  -9.733  -9.733
  308   2HZ   LYS  44          3HZ       LYS  44  10.834 -10.640 -10.640
  309   3HZ   LYS  44          2HZ       LYS  44  11.613 -11.342 -11.342
  310    H    LEU  45           H        LEU  45   5.490  -4.876  -4.876
  311    HA   LEU  45           HA       LEU  45   3.824  -6.665  -6.665
  312   1HB   LEU  45          2HB       LEU  45   3.411  -4.444  -4.444
  313   2HB   LEU  45          1HB       LEU  45   2.121  -4.810  -4.810
  314    HG   LEU  45           HG       LEU  45   3.417  -6.772  -6.772
  315   1HD1  LEU  45          1HD1      LEU  45   1.698  -4.987  -4.987
  316   2HD1  LEU  45          3HD1      LEU  45   0.519  -5.951  -5.951
  317   3HD1  LEU  45          2HD1      LEU  45   1.422  -6.672  -6.672
  318   1HD2  LEU  45          2HD2      LEU  45   2.071  -7.198  -7.198
  319   2HD2  LEU  45          1HD2      LEU  45   2.619  -8.407  -8.407
  320   3HD2  LEU  45          3HD2      LEU  45   0.998  -7.730  -7.730
  321    HA   PRO  46           HA       PRO  46   3.980  -4.028  -4.028
  322   1HB   PRO  46          2HB       PRO  46   1.433  -4.232  -4.232
  323   2HB   PRO  46          1HB       PRO  46   2.620  -5.546  -5.546
  324   1HG   PRO  46          2HG       PRO  46   0.344  -5.195  -5.195
  325   2HG   PRO  46          1HG       PRO  46   0.989  -6.670  -6.670
  326   1HD   PRO  46          2HD       PRO  46   1.482  -5.883  -5.883
  327   2HD   PRO  46          1HD       PRO  46   2.539  -6.960  -6.960
  328    H    VAL  47           H        VAL  47   3.042  -2.015  -2.015
  329    HA   VAL  47           HA       VAL  47   2.486  -0.007  -0.007
  330    HB   VAL  47           HB       VAL  47   2.497  -0.260  -0.260
  331   1HG1  VAL  47          2HG1      VAL  47   1.404   2.060   2.060
  332   2HG1  VAL  47          1HG1      VAL  47   2.050   2.268   2.268
  333   3HG1  VAL  47          3HG1      VAL  47   0.653   1.226   1.226
  334   1HG2  VAL  47          3HG2      VAL  47   4.490   0.156   0.156
  335   2HG2  VAL  47          2HG2      VAL  47   4.440   1.008   1.008
  336   3HG2  VAL  47          1HG2      VAL  47   3.914   1.821   1.821
  337    H    ASP  48           H        ASP  48   0.462  -2.370  -2.370
  338    HA   ASP  48           HA       ASP  48  -2.010  -0.859  -0.859
  339   1HB   ASP  48          2HB       ASP  48  -1.122  -3.724  -3.724
  340   2HB   ASP  48          1HB       ASP  48  -2.832  -3.353  -3.353
  341    H    ILE  49           H        ILE  49  -0.376  -2.930  -2.930
  342    HA   ILE  49           HA       ILE  49  -2.395  -2.826  -2.826
  343    HB   ILE  49           HB       ILE  49   0.610  -3.004  -3.004
  344   1HG1  ILE  49          2HG1      ILE  49   0.073  -4.580  -4.580
  345   2HG1  ILE  49          1HG1      ILE  49   0.221  -5.499  -5.499
  346   1HG2  ILE  49          1HG2      ILE  49  -1.117  -2.865  -2.865
  347   2HG2  ILE  49          3HG2      ILE  49  -1.481  -4.534  -4.534
  348   3HG2  ILE  49          2HG2      ILE  49   0.152  -4.087  -4.087
  349   1HD1  ILE  49          3HD1      ILE  49  -2.329  -5.154  -5.154
  350   2HD1  ILE  49          2HD1      ILE  49  -2.291  -4.703  -4.703
  351   3HD1  ILE  49          1HD1      ILE  49  -1.772  -6.314  -6.314
  352    H    LEU  50           H        LEU  50   0.546  -0.962  -0.962
  353    HA   LEU  50           HA       LEU  50   0.246   0.913   0.913
  354   1HB   LEU  50          2HB       LEU  50   1.572   1.398   1.398
  355   2HB   LEU  50          1HB       LEU  50   2.057   2.027   2.027
  356    HG   LEU  50           HG       LEU  50   2.383  -0.759  -0.759
  357   1HD1  LEU  50          3HD1      LEU  50   4.078   1.496   1.496
  358   2HD1  LEU  50          2HD1      LEU  50   4.614  -0.076  -0.076
  359   3HD1  LEU  50          1HD1      LEU  50   4.423   0.194   0.194
  360   1HD2  LEU  50          1HD2      LEU  50   1.746  -0.003  -0.003
  361   2HD2  LEU  50          3HD2      LEU  50   1.803  -1.605  -1.605
  362   3HD2  LEU  50          2HD2      LEU  50   3.281  -0.857  -0.857
  363    H    GLY  51           H        GLY  51  -1.222   0.641   0.641
  364   1HA   GLY  51          2HA       GLY  51  -2.116   3.453   3.453
  365   2HA   GLY  51          1HA       GLY  51  -2.509   2.238   2.238
  366    H    ARG  52           H        ARG  52  -3.300   0.259   0.259
  367    HA   ARG  52           HA       ARG  52  -6.053   1.229   1.229
  368   1HB   ARG  52          2HB       ARG  52  -4.953  -1.097  -1.097
  369   2HB   ARG  52          1HB       ARG  52  -5.159  -1.467  -1.467
  370   1HG   ARG  52          2HG       ARG  52  -7.528  -0.899  -0.899
  371   2HG   ARG  52          1HG       ARG  52  -7.350  -0.415  -0.415
  372   1HD   ARG  52          2HD       ARG  52  -6.641  -3.202  -3.202
  373   2HD   ARG  52          1HD       ARG  52  -8.258  -2.778  -2.778
  374    HE   ARG  52           HE       ARG  52  -6.606  -1.751  -1.751
  375   1HH1  ARG  52          1HH2      ARG  52  -8.031  -4.661  -4.661
  376   2HH1  ARG  52          2HH2      ARG  52  -6.974  -5.631  -5.631
  377   1HH2  ARG  52          2HH1      ARG  52  -4.724  -3.061  -3.061
  378   2HH2  ARG  52          1HH1      ARG  52  -5.103  -4.725  -4.725
  379    H    VAL  53           H        VAL  53  -3.531  -0.432  -0.432
  380    HA   VAL  53           HA       VAL  53  -4.726  -0.225  -0.225
  381    HB   VAL  53           HB       VAL  53  -1.855  -0.046  -0.046
  382   1HG1  VAL  53          1HG1      VAL  53  -2.142   1.153   1.153
  383   2HG1  VAL  53          3HG1      VAL  53  -2.797  -0.337  -0.337
  384   3HG1  VAL  53          2HG1      VAL  53  -1.128  -0.285  -0.285
  385   1HG2  VAL  53          3HG2      VAL  53  -3.105  -2.181  -2.181
  386   2HG2  VAL  53          2HG2      VAL  53  -1.782  -2.342  -2.342
  387   3HG2  VAL  53          1HG2      VAL  53  -3.442  -2.196  -2.196
  388    H    TRP  54           H        TRP  54  -2.784   2.219   2.219
  389    HA   TRP  54           HA       TRP  54  -2.785   4.193   4.193
  390   1HB   TRP  54          2HB       TRP  54  -1.316   4.349   4.349
  391   2HB   TRP  54          1HB       TRP  54  -2.693   4.400   4.400
  392    HD1  TRP  54           HD1      TRP  54  -4.317   6.564   6.564
  393    HE1  TRP  54           HE1      TRP  54  -3.805   8.988   8.988
  394    HE3  TRP  54           HE3      TRP  54   0.153   5.867   5.867
  395    HZ2  TRP  54           HZ2      TRP  54  -1.751  10.447  10.447
  396    HZ3  TRP  54           HZ3      TRP  54   1.364   7.786   7.786
  397    HH2  TRP  54           HH2      TRP  54   0.419  10.074  10.074
  398    H    GLU  55           H        GLU  55  -4.912   4.078   4.078
  399    HA   GLU  55           HA       GLU  55  -6.601   6.213   6.213
  400   1HB   GLU  55          2HB       GLU  55  -7.158   3.573   3.573
  401   2HB   GLU  55          1HB       GLU  55  -8.322   4.896   4.896
  402   1HG   GLU  55          2HG       GLU  55  -6.266   6.309   6.309
  403   2HG   GLU  55          1HG       GLU  55  -5.698   4.732   4.732
  404    H    LEU  56           H        LEU  56  -6.667   2.866   2.866
  405    HA   LEU  56           HA       LEU  56  -9.059   3.327   3.327
  406   1HB   LEU  56          2HB       LEU  56  -7.250   0.911   0.911
  407   2HB   LEU  56          1HB       LEU  56  -8.902   0.914   0.914
  408    HG   LEU  56           HG       LEU  56  -8.231   1.952   1.952
  409   1HD1  LEU  56          1HD1      LEU  56  -7.541  -0.458  -0.458
  410   2HD1  LEU  56          3HD1      LEU  56  -9.235  -0.823  -0.823
  411   3HD1  LEU  56          2HD1      LEU  56  -8.761  -0.177  -0.177
  412   1HD2  LEU  56          3HD2      LEU  56 -10.628   1.640   1.640
  413   2HD2  LEU  56          2HD2      LEU  56 -10.394   2.584   2.584
  414   3HD2  LEU  56          1HD2      LEU  56 -10.797   0.870   0.870
  415    H    SER  57           H        SER  57  -5.720   3.751   3.751
  416    HA   SER  57           HA       SER  57  -5.643   3.317   3.317
  417   1HB   SER  57          2HB       SER  57  -3.764   2.374   2.374
  418   2HB   SER  57          1HB       SER  57  -3.635   3.712   3.712
  419    HG   SER  57           HG       SER  57  -3.371   4.147   4.147
  420    H    ASP  58           H        ASP  58  -5.521   5.781   5.781
  421    HA   ASP  58           HA       ASP  58  -4.846   7.948   7.948
  422   1HB   ASP  58          2HB       ASP  58  -4.314   7.595   7.595
  423   2HB   ASP  58          1HB       ASP  58  -5.911   8.315   8.315
  424    H    ILE  59           H        ILE  59  -6.866   7.158   7.158
  425    HA   ILE  59           HA       ILE  59  -9.516   7.325   7.325
  426    HB   ILE  59           HB       ILE  59  -8.056   8.698   8.698
  427   1HG1  ILE  59          2HG1      ILE  59  -7.488   6.331   6.331
  428   2HG1  ILE  59          1HG1      ILE  59  -8.597   6.568   6.568
  429   1HG2  ILE  59          2HG2      ILE  59 -10.533   9.277   9.277
  430   2HG2  ILE  59          1HG2      ILE  59 -10.870   7.627   7.627
  431   3HG2  ILE  59          3HG2      ILE  59 -10.090   8.767   8.767
  432   1HD1  ILE  59          3HD1      ILE  59 -10.485   5.860   5.860
  433   2HD1  ILE  59          2HD1      ILE  59  -9.361   5.596   5.596
  434   3HD1  ILE  59          1HD1      ILE  59  -9.254   4.599   4.599
  435    H    ASP  60           H        ASP  60  -7.269  10.043  10.043
  436    HA   ASP  60           HA       ASP  60  -9.446  12.009  12.009
  437   1HB   ASP  60          2HB       ASP  60  -6.422  12.224  12.224
  438   2HB   ASP  60          1HB       ASP  60  -7.530  13.598  13.598
  439    H    HIS  61           H        HIS  61  -7.077  10.298  10.298
  440    HA   HIS  61           HA       HIS  61  -6.749  10.304  10.304
  441   1HB   HIS  61          2HB       HIS  61  -9.220  11.907  11.907
  442   2HB   HIS  61          1HB       HIS  61  -8.729  10.387  10.387
  443    HD1  HIS  61           HD1      HIS  61 -11.229  11.641  11.641
  444    HD2  HIS  61           HD2      HIS  61  -8.868   8.209   8.209
  445    HE1  HIS  61           HE1      HIS  61 -12.410   9.987   9.987
  446    H    ASP  62           H        ASP  62  -5.970  12.607  12.607
  447    HA   ASP  62           HA       ASP  62  -6.191  14.973  14.973
  448   1HB   ASP  62          2HB       ASP  62  -5.384  16.119  16.119
  449   2HB   ASP  62          1HB       ASP  62  -6.412  14.831  14.831
  450    H    GLY  63           H        GLY  63  -3.862  12.482  12.482
  451   1HA   GLY  63          2HA       GLY  63  -2.121  12.312  12.312
  452   2HA   GLY  63          1HA       GLY  63  -1.769  13.994  13.994
  453    H    MET  64           H        MET  64  -2.578  12.425  12.425
  454    HA   MET  64           HA       MET  64   0.179  11.447  11.447
  455   1HB   MET  64          2HB       MET  64  -1.052  13.257  13.257
  456   2HB   MET  64          1HB       MET  64   0.647  13.003  13.003
  457   1HG   MET  64          2HG       MET  64   0.149  14.166  14.166
  458   2HG   MET  64          1HG       MET  64  -1.368  14.673  14.673
  459   1HE   MET  64          1HE       MET  64   2.189  14.182  14.182
  460   2HE   MET  64          3HE       MET  64   2.884  15.758  15.758
  461   3HE   MET  64          2HE       MET  64   2.424  14.642  14.642
  462    H    LEU  65           H        LEU  65   0.301  10.207  10.207
  463    HA   LEU  65           HA       LEU  65  -2.364   9.050   9.050
  464   1HB   LEU  65          2HB       LEU  65   0.431   7.956   7.956
  465   2HB   LEU  65          1HB       LEU  65  -0.750   7.091   7.091
  466    HG   LEU  65           HG       LEU  65  -1.234   7.941   7.941
  467   1HD1  LEU  65          2HD1      LEU  65   0.086   5.564   5.564
  468   2HD1  LEU  65          1HD1      LEU  65  -1.109   5.229   5.229
  469   3HD1  LEU  65          3HD1      LEU  65   0.274   6.264   6.264
  470   1HD2  LEU  65          1HD2      LEU  65  -3.232   7.629   7.629
  471   2HD2  LEU  65          3HD2      LEU  65  -3.150   6.426   6.426
  472   3HD2  LEU  65          2HD2      LEU  65  -2.686   5.997   5.997
  473    H    ASP  66           H        ASP  66  -2.897   9.921   9.921
  474    HA   ASP  66           HA       ASP  66  -0.815  10.820  10.820
  475   1HB   ASP  66          2HB       ASP  66  -2.667  11.494  11.494
  476   2HB   ASP  66          1HB       ASP  66  -3.152  11.769  11.769
  477    H    ARG  67           H        ARG  67  -0.696   9.950   9.950
  478    HA   ARG  67           HA       ARG  67   0.199   7.382   7.382
  479   1HB   ARG  67          2HB       ARG  67  -0.859   7.618   7.618
  480   2HB   ARG  67          1HB       ARG  67   0.428   8.702   8.702
  481   1HG   ARG  67          2HG       ARG  67  -0.995  10.508  10.508
  482   2HG   ARG  67          1HG       ARG  67  -2.387   9.496   9.496
  483   1HD   ARG  67          2HD       ARG  67  -2.740  10.415  10.415
  484   2HD   ARG  67          1HD       ARG  67  -2.325   8.702   8.702
  485    HE   ARG  67           HE       ARG  67   0.138   9.924   9.924
  486   1HH1  ARG  67          1HH2      ARG  67  -2.379  11.748  11.748
  487   2HH1  ARG  67          2HH2      ARG  67  -1.842  11.818  11.818
  488   1HH2  ARG  67          2HH1      ARG  67   0.657   9.457   9.457
  489   2HH2  ARG  67          1HH1      ARG  67  -0.122  10.521  10.521
  490    H    ASP  68           H        ASP  68  -3.247   8.292   8.292
  491    HA   ASP  68           HA       ASP  68  -4.083   5.546   5.546
  492   1HB   ASP  68          2HB       ASP  68  -5.111   8.079   8.079
  493   2HB   ASP  68          1HB       ASP  68  -6.062   7.480   7.480
  494    H    GLU  69           H        GLU  69  -3.963   7.663   7.663
  495    HA   GLU  69           HA       GLU  69  -5.363   5.786   5.786
  496   1HB   GLU  69          2HB       GLU  69  -3.580   8.194   8.194
  497   2HB   GLU  69          1HB       GLU  69  -4.537   7.400   7.400
  498   1HG   GLU  69          2HG       GLU  69  -6.585   7.823   7.823
  499   2HG   GLU  69          1HG       GLU  69  -5.606   8.701   8.701
  500    H    PHE  70           H        PHE  70  -1.983   6.678   6.678
  501    HA   PHE  70           HA       PHE  70  -0.773   5.002   5.002
  502   1HB   PHE  70          2HB       PHE  70   0.241   6.877   6.877
  503   2HB   PHE  70          1HB       PHE  70   0.281   5.745   5.745
  504    HD1  PHE  70           HD2      PHE  70   1.632   3.650   3.650
  505    HD2  PHE  70           HD1      PHE  70   1.815   6.725   6.725
  506    HE1  PHE  70           HE2      PHE  70   3.740   2.678   2.678
  507    HE2  PHE  70           HE1      PHE  70   3.923   5.754   5.754
  508    HZ   PHE  70           HZ       PHE  70   4.881   3.733   3.733
  509    H    ALA  71           H        ALA  71  -2.203   4.385   4.385
  510    HA   ALA  71           HA       ALA  71  -0.980   1.831   1.831
  511   1HB   ALA  71          3HB       ALA  71  -2.473   3.531   3.531
  512   2HB   ALA  71          2HB       ALA  71  -3.798   2.549   2.549
  513   3HB   ALA  71          1HB       ALA  71  -2.540   1.807   1.807
  514    H    VAL  72           H        VAL  72  -4.104   2.714   2.714
  515    HA   VAL  72           HA       VAL  72  -5.096   0.155   0.155
  516    HB   VAL  72           HB       VAL  72  -5.304   2.790   2.790
  517   1HG1  VAL  72          1HG1      VAL  72  -6.893   0.237   0.237
  518   2HG1  VAL  72          3HG1      VAL  72  -7.667   1.779   1.779
  519   3HG1  VAL  72          2HG1      VAL  72  -6.316   1.216   1.216
  520   1HG2  VAL  72          1HG2      VAL  72  -6.602   1.681   1.681
  521   2HG2  VAL  72          3HG2      VAL  72  -5.957   3.296   3.296
  522   3HG2  VAL  72          2HG2      VAL  72  -7.492   2.816   2.816
  523    H    ALA  73           H        ALA  73  -2.546   2.013   2.013
  524    HA   ALA  73           HA       ALA  73  -2.579   0.381   0.381
  525   1HB   ALA  73          2HB       ALA  73  -1.570   2.910   2.910
  526   2HB   ALA  73          1HB       ALA  73  -0.285   2.010   2.010
  527   3HB   ALA  73          3HB       ALA  73  -1.791   2.368   2.368
  528    H    MET  74           H        MET  74  -1.121   0.111   0.111
  529    HA   MET  74           HA       MET  74   1.307  -1.232  -1.232
  530   1HB   MET  74          2HB       MET  74   0.192  -1.092  -1.092
  531   2HB   MET  74          1HB       MET  74   1.863  -1.391  -1.391
  532   1HG   MET  74          2HG       MET  74   0.368   1.168   1.168
  533   2HG   MET  74          1HG       MET  74   2.067   0.843   0.843
  534   1HE   MET  74          3HE       MET  74   3.294  -0.346  -0.346
  535   2HE   MET  74          2HE       MET  74   2.843  -0.400  -0.400
  536   3HE   MET  74          1HE       MET  74   3.932   0.858   0.858
  537    H    PHE  75           H        PHE  75  -1.630  -2.212  -2.212
  538    HA   PHE  75           HA       PHE  75  -0.929  -5.032  -5.032
  539   1HB   PHE  75          2HB       PHE  75  -2.867  -5.295  -5.295
  540   2HB   PHE  75          1HB       PHE  75  -2.538  -3.592  -3.592
  541    HD1  PHE  75           HD2      PHE  75  -3.731  -1.833  -1.833
  542    HD2  PHE  75           HD1      PHE  75  -4.812  -5.985  -5.985
  543    HE1  PHE  75           HE2      PHE  75  -5.919  -1.228  -1.228
  544    HE2  PHE  75           HE1      PHE  75  -7.005  -5.381  -5.381
  545    HZ   PHE  75           HZ       PHE  75  -7.561  -3.001  -3.001
  546    H    LEU  76           H        LEU  76  -2.390  -2.673  -2.673
  547    HA   LEU  76           HA       LEU  76  -3.816  -4.462  -4.462
  548   1HB   LEU  76          2HB       LEU  76  -3.008  -1.611  -1.611
  549   2HB   LEU  76          1HB       LEU  76  -3.345  -2.203  -2.203
  550    HG   LEU  76           HG       LEU  76  -5.208  -2.390  -2.390
  551   1HD1  LEU  76          2HD1      LEU  76  -4.729  -0.199  -0.199
  552   2HD1  LEU  76          1HD1      LEU  76  -5.964  -0.991  -0.991
  553   3HD1  LEU  76          3HD1      LEU  76  -6.308  -0.565  -0.565
  554   1HD2  LEU  76          1HD2      LEU  76  -5.035  -3.979  -3.979
  555   2HD2  LEU  76          3HD2      LEU  76  -6.306  -3.995  -3.995
  556   3HD2  LEU  76          2HD2      LEU  76  -6.441  -2.929  -2.929
  557    H    VAL  77           H        VAL  77  -0.576  -3.122  -3.122
  558    HA   VAL  77           HA       VAL  77   0.259  -4.261  -4.261
  559    HB   VAL  77           HB       VAL  77   1.577  -2.596  -2.596
  560   1HG1  VAL  77          3HG1      VAL  77   2.684  -3.836  -3.836
  561   2HG1  VAL  77          2HG1      VAL  77   3.296  -2.274  -2.274
  562   3HG1  VAL  77          1HG1      VAL  77   3.434  -3.687  -3.687
  563   1HG2  VAL  77          3HG2      VAL  77  -0.216  -1.905  -1.905
  564   2HG2  VAL  77          2HG2      VAL  77   0.909  -0.796  -0.796
  565   3HG2  VAL  77          1HG2      VAL  77   1.343  -1.555  -1.555
  566    H    TYR  78           H        TYR  78   0.477  -4.975  -4.975
  567    HA   TYR  78           HA       TYR  78   2.614  -6.967  -6.967
  568   1HB   TYR  78          2HB       TYR  78   1.267  -5.549  -5.549
  569   2HB   TYR  78          1HB       TYR  78   1.465  -7.264  -7.264
  570    HD1  TYR  78           HD2      TYR  78   3.842  -8.267  -8.267
  571    HD2  TYR  78           HD1      TYR  78   3.046  -4.120  -4.120
  572    HE1  TYR  78           HE2      TYR  78   6.253  -7.891  -7.891
  573    HE2  TYR  78           HE1      TYR  78   5.453  -3.739  -3.739
  574    HH   TYR  78           HH       TYR  78   7.770  -6.440  -6.440
  575    H    CYS  79           H        CYS  79  -0.880  -6.834  -6.834
  576    HA   CYS  79           HA       CYS  79  -1.205  -9.719  -9.719
  577   1HB   CYS  79          2HB       CYS  79  -3.009  -7.376  -7.376
  578   2HB   CYS  79          1HB       CYS  79  -3.621  -9.023  -9.023
  579    HG   CYS  79           HG       CYS  79  -3.002  -7.262  -7.262
  580    H    ALA  80           H        ALA  80  -0.690  -7.551  -7.551
  581    HA   ALA  80           HA       ALA  80  -1.846  -9.298  -9.298
  582   1HB   ALA  80          2HB       ALA  80  -0.238  -6.744  -6.744
  583   2HB   ALA  80          1HB       ALA  80  -0.557  -7.550  -7.550
  584   3HB   ALA  80          3HB       ALA  80  -1.899  -6.970  -6.970
  585    H    LEU  81           H        LEU  81   0.961  -9.261  -9.261
  586    HA   LEU  81           HA       LEU  81   2.758 -10.380 -10.380
  587   1HB   LEU  81          2HB       LEU  81   3.191 -10.176 -10.176
  588   2HB   LEU  81          1HB       LEU  81   4.403 -10.113 -10.113
  589    HG   LEU  81           HG       LEU  81   2.384  -8.016  -8.016
  590   1HD1  LEU  81          3HD1      LEU  81   4.999  -8.425  -8.425
  591   2HD1  LEU  81          2HD1      LEU  81   5.176  -7.319  -7.319
  592   3HD1  LEU  81          1HD1      LEU  81   4.185  -6.860  -6.860
  593   1HD2  LEU  81          2HD2      LEU  81   4.030  -8.214  -8.214
  594   2HD2  LEU  81          1HD2      LEU  81   2.271  -8.205  -8.205
  595   3HD2  LEU  81          3HD2      LEU  81   3.189  -6.757  -6.757
  596    H    GLU  82           H        GLU  82   1.285 -11.393 -11.393
  597    HA   GLU  82           HA       GLU  82   2.222 -14.120 -14.120
  598   1HB   GLU  82          2HB       GLU  82   0.869 -14.439 -14.439
  599   2HB   GLU  82          1HB       GLU  82   1.902 -13.016 -13.016
  600   1HG   GLU  82          2HG       GLU  82  -0.060 -12.043 -12.043
  601   2HG   GLU  82          1HG       GLU  82  -0.292 -11.864 -11.864
  602    H    LYS  83           H        LYS  83  -0.925 -12.495 -12.495
  603    HA   LYS  83           HA       LYS  83  -1.715 -14.367 -14.367
  604   1HB   LYS  83          2HB       LYS  83  -1.717 -15.389 -15.389
  605   2HB   LYS  83          1HB       LYS  83  -3.413 -15.070 -15.070
  606   1HG   LYS  83          2HG       LYS  83  -3.283 -16.376 -16.376
  607   2HG   LYS  83          1HG       LYS  83  -1.550 -16.613 -16.613
  608   1HD   LYS  83          2HD       LYS  83  -1.952 -18.413 -18.413
  609   2HD   LYS  83          1HD       LYS  83  -2.887 -17.417 -17.417
  610   1HE   LYS  83          2HE       LYS  83  -3.960 -18.720 -18.720
  611   2HE   LYS  83          1HE       LYS  83  -4.315 -19.223 -19.223
  612   1HZ   LYS  83          2HZ       LYS  83  -4.758 -16.543 -16.543
  613   2HZ   LYS  83          1HZ       LYS  83  -5.355 -16.992 -16.992
  614   3HZ   LYS  83          3HZ       LYS  83  -5.964 -17.734 -17.734
  615    H    GLU  84           H        GLU  84  -2.959 -12.314 -12.314
  616    HA   GLU  84           HA       GLU  84  -5.553 -11.891 -11.891
  617   1HB   GLU  84          2HB       GLU  84  -3.992 -11.047 -11.047
  618   2HB   GLU  84          1HB       GLU  84  -5.044  -9.771  -9.771
  619   1HG   GLU  84          2HG       GLU  84  -6.410 -10.963 -10.963
  620   2HG   GLU  84          1HG       GLU  84  -6.888 -11.576 -11.576
  621    HA   PRO  85           HA       PRO  85  -3.857  -8.948  -8.948
  622   1HB   PRO  85          2HB       PRO  85  -6.090  -8.864  -8.864
  623   2HB   PRO  85          1HB       PRO  85  -4.890 -10.166 -10.166
  624   1HG   PRO  85          2HG       PRO  85  -7.553 -10.147 -10.147
  625   2HG   PRO  85          1HG       PRO  85  -6.727 -11.453 -11.453
  626   1HD   PRO  85          2HD       PRO  85  -6.876 -11.254 -11.254
  627   2HD   PRO  85          1HD       PRO  85  -5.613 -12.144 -12.144
  628    H    VAL  86           H        VAL  86  -5.352  -6.959  -6.959
  629    HA   VAL  86           HA       VAL  86  -6.539  -5.578  -5.578
  630    HB   VAL  86           HB       VAL  86  -5.002  -4.652  -4.652
  631   1HG1  VAL  86          1HG1      VAL  86  -7.032  -3.186  -3.186
  632   2HG1  VAL  86          3HG1      VAL  86  -6.158  -2.817  -2.817
  633   3HG1  VAL  86          2HG1      VAL  86  -5.463  -2.389  -2.389
  634   1HG2  VAL  86          1HG2      VAL  86  -4.068  -5.504  -5.504
  635   2HG2  VAL  86          3HG2      VAL  86  -3.285  -4.212  -4.212
  636   3HG2  VAL  86          2HG2      VAL  86  -4.379  -3.818  -3.818
  637    HA   PRO  87           HA       PRO  87 -10.193  -5.428  -5.428
  638   1HB   PRO  87          2HB       PRO  87 -11.587  -3.561  -3.561
  639   2HB   PRO  87          1HB       PRO  87 -11.316  -5.216  -5.216
  640   1HG   PRO  87          2HG       PRO  87 -10.113  -2.703  -2.703
  641   2HG   PRO  87          1HG       PRO  87 -10.257  -4.253  -4.253
  642   1HD   PRO  87          2HD       PRO  87  -7.967  -3.175  -3.175
  643   2HD   PRO  87          1HD       PRO  87  -8.121  -4.756  -4.756
  644    H    MET  88           H        MET  88 -11.799  -3.267  -3.267
  645    HA   MET  88           HA       MET  88  -9.952  -1.283  -1.283
  646   1HB   MET  88          2HB       MET  88 -12.406  -2.694  -2.694
  647   2HB   MET  88          1HB       MET  88 -11.556  -1.408  -1.408
  648   1HG   MET  88          2HG       MET  88  -9.612  -2.726  -2.726
  649   2HG   MET  88          1HG       MET  88 -10.108  -3.879  -3.879
  650   1HE   MET  88          1HE       MET  88  -9.046  -4.110  -4.110
  651   2HE   MET  88          3HE       MET  88 -10.201  -4.705  -4.705
  652   3HE   MET  88          2HE       MET  88 -10.144  -2.990  -2.990
  653    H    SER  89           H        SER  89 -11.934  -1.358  -1.358
  654    HA   SER  89           HA       SER  89 -12.969   1.340   1.340
  655   1HB   SER  89          2HB       SER  89 -14.566  -0.181  -0.181
  656   2HB   SER  89          1HB       SER  89 -14.806  -1.019  -1.019
  657    HG   SER  89           HG       SER  89 -15.846   1.339   1.339
  658    H    LEU  90           H        LEU  90 -11.371  -0.285  -0.285
  659    HA   LEU  90           HA       LEU  90 -10.958  -0.179  -0.179
  660   1HB   LEU  90          2HB       LEU  90 -12.550   2.118   2.118
  661   2HB   LEU  90          1HB       LEU  90 -12.908   1.666   1.666
  662    HG   LEU  90           HG       LEU  90 -10.113   2.094   2.094
  663   1HD1  LEU  90          3HD1      LEU  90 -11.778   4.114   4.114
  664   2HD1  LEU  90          2HD1      LEU  90 -11.501   3.915   3.915
  665   3HD1  LEU  90          1HD1      LEU  90 -10.147   4.261   4.261
  666   1HD2  LEU  90          1HD2      LEU  90 -10.692   0.563   0.563
  667   2HD2  LEU  90          3HD2      LEU  90  -9.351   1.706   1.706
  668   3HD2  LEU  90          2HD2      LEU  90 -10.907   2.110   2.110
  669    HA   PRO  91           HA       PRO  91 -14.305  -2.920  -2.920
  670   1HB   PRO  91          2HB       PRO  91 -12.918  -4.205  -4.205
  671   2HB   PRO  91          1HB       PRO  91 -12.748  -4.599  -4.599
  672   1HG   PRO  91          2HG       PRO  91 -10.945  -3.072  -3.072
  673   2HG   PRO  91          1HG       PRO  91 -10.566  -4.087  -4.087
  674   1HD   PRO  91          2HD       PRO  91 -10.625  -1.308  -1.308
  675   2HD   PRO  91          1HD       PRO  91 -10.694  -2.344  -2.344
  676    HA   PRO  92           HA       PRO  92 -15.929  -0.511  -0.511
  677   1HB   PRO  92          2HB       PRO  92 -17.815  -2.265  -2.265
  678   2HB   PRO  92          1HB       PRO  92 -17.987  -1.353  -1.353
  679   1HG   PRO  92          2HG       PRO  92 -17.106  -4.171  -4.171
  680   2HG   PRO  92          1HG       PRO  92 -18.192  -3.509  -3.509
  681   1HD   PRO  92          2HD       PRO  92 -15.616  -4.115  -4.115
  682   2HD   PRO  92          1HD       PRO  92 -16.454  -2.764  -2.764
  683    H    ALA  93           H        ALA  93 -14.088  -3.259  -3.259
  684    HA   ALA  93           HA       ALA  93 -14.539  -3.310  -3.310
  685   1HB   ALA  93          2HB       ALA  93 -13.343  -5.084  -5.084
  686   2HB   ALA  93          1HB       ALA  93 -12.750  -5.248  -5.248
  687   3HB   ALA  93          3HB       ALA  93 -14.462  -5.491  -5.491
  688    H    LEU  94           H        LEU  94 -12.356  -2.191  -2.191
  689    HA   LEU  94           HA       LEU  94 -10.167  -1.711  -1.711
  690   1HB   LEU  94          2HB       LEU  94  -9.362  -2.769  -2.769
  691   2HB   LEU  94          1HB       LEU  94 -10.518  -1.957  -1.957
  692    HG   LEU  94           HG       LEU  94  -8.093  -1.232  -1.232
  693   1HD1  LEU  94          2HD1      LEU  94 -10.519   0.214   0.214
  694   2HD1  LEU  94          1HD1      LEU  94  -9.314   1.286   1.286
  695   3HD1  LEU  94          3HD1      LEU  94  -9.025   0.575   0.575
  696   1HD2  LEU  94          3HD2      LEU  94  -8.446  -0.859  -0.859
  697   2HD2  LEU  94          2HD2      LEU  94  -6.989  -0.607  -0.607
  698   3HD2  LEU  94          1HD2      LEU  94  -8.136   0.713   0.713
  699    H    VAL  95           H        VAL  95 -12.776  -0.135  -0.135
  700    HA   VAL  95           HA       VAL  95 -11.572   2.554   2.554
  701    HB   VAL  95           HB       VAL  95 -14.368   1.511   1.511
  702   1HG1  VAL  95          1HG1      VAL  95 -13.887   4.034   4.034
  703   2HG1  VAL  95          3HG1      VAL  95 -13.342   4.146   4.146
  704   3HG1  VAL  95          2HG1      VAL  95 -14.997   3.651   3.651
  705   1HG2  VAL  95          1HG2      VAL  95 -12.160   1.031   1.031
  706   2HG2  VAL  95          3HG2      VAL  95 -13.750   1.278   1.278
  707   3HG2  VAL  95          2HG2      VAL  95 -12.600   2.612   2.612
  708    HA   PRO  96           HA       PRO  96 -12.868   3.091   3.091
  709   1HB   PRO  96          2HB       PRO  96 -11.919   5.643   5.643
  710   2HB   PRO  96          1HB       PRO  96 -10.871   4.211   4.211
  711   1HG   PRO  96          2HG       PRO  96 -11.325   6.119   6.119
  712   2HG   PRO  96          1HG       PRO  96  -9.839   5.300   5.300
  713   1HD   PRO  96          2HD       PRO  96 -11.372   4.520   4.520
  714   2HD   PRO  96          1HD       PRO  96 -10.305   3.429   3.429
  715    HA   PRO  97           HA       PRO  97 -16.551   5.472   5.472
  716   1HB   PRO  97          2HB       PRO  97 -16.655   6.784   6.784
  717   2HB   PRO  97          1HB       PRO  97 -16.929   5.037   5.037
  718   1HG   PRO  97          2HG       PRO  97 -14.501   6.499   6.499
  719   2HG   PRO  97          1HG       PRO  97 -15.189   4.978   4.978
  720   1HD   PRO  97          2HD       PRO  97 -13.032   5.122   5.122
  721   2HD   PRO  97          1HD       PRO  97 -14.133   3.731   3.731
  722    H    SER  98           H        SER  98 -13.536   7.065   7.065
  723    HA   SER  98           HA       SER  98 -14.383   9.808   9.808
  724   1HB   SER  98          2HB       SER  98 -11.962   8.208   8.208
  725   2HB   SER  98          1HB       SER  98 -11.994   9.771   9.771
  726    HG   SER  98           HG       SER  98 -11.636   9.178   9.178
  727    H    LYS  99           H        LYS  99 -14.225   7.412   7.412
  728    HA   LYS  99           HA       LYS  99 -14.550   9.433   9.433
  729   1HB   LYS  99          2HB       LYS  99 -13.277   7.060   7.060
  730   2HB   LYS  99          1HB       LYS  99 -14.841   6.500   6.500
  731   1HG   LYS  99          2HG       LYS  99 -14.717   8.153   8.153
  732   2HG   LYS  99          1HG       LYS  99 -13.132   8.665   8.665
  733   1HD   LYS  99          2HD       LYS  99 -12.678   7.097   7.097
  734   2HD   LYS  99          1HD       LYS  99 -12.431   6.206   6.206
  735   1HE   LYS  99          2HE       LYS  99 -13.833   4.682   4.682
  736   2HE   LYS  99          1HE       LYS  99 -15.101   5.773   5.773
  737   1HZ   LYS  99          3HZ       LYS  99 -13.717   6.050   6.050
  738   2HZ   LYS  99          2HZ       LYS  99 -15.258   5.365   5.365
  739   3HZ   LYS  99          1HZ       LYS  99 -14.999   7.004   7.004
  740    H    ARG 100           H        ARG 100 -16.578   8.353   8.353
  741    HA   ARG 100           HA       ARG 100 -18.879   7.816   7.816
  742   1HB   ARG 100          2HB       ARG 100 -18.023   7.060   7.060
  743   2HB   ARG 100          1HB       ARG 100 -19.740   7.446   7.446
  744   1HG   ARG 100          2HG       ARG 100 -20.180   5.585   5.585
  745   2HG   ARG 100          1HG       ARG 100 -18.737   5.791   5.791
  746   1HD   ARG 100          2HD       ARG 100 -18.262   5.004   5.004
  747   2HD   ARG 100          1HD       ARG 100 -18.971   3.768   3.768
  748    HE   ARG 100           HE       ARG 100 -16.422   5.218   5.218
  749   1HH1  ARG 100          1HH2      ARG 100 -16.236   2.411   2.411
  750   2HH1  ARG 100          2HH2      ARG 100 -16.195   1.516   1.516
  751   1HH2  ARG 100          2HH1      ARG 100 -17.392   4.141   4.141
  752   2HH2  ARG 100          1HH1      ARG 100 -16.851   2.497   2.497

  Start of MODEL    5
    1    HA   PRO   6           HA       PRO   6 -13.697  -3.351  -3.351
    2   1HB   PRO   6          2HB       PRO   6 -11.041  -3.947  -3.947
    3   2HB   PRO   6          1HB       PRO   6 -12.250  -4.329  -4.329
    4   1HG   PRO   6          2HG       PRO   6 -10.998  -6.104  -6.104
    5   2HG   PRO   6          1HG       PRO   6 -11.433  -6.443  -6.443
    6   1HD   PRO   6          2HD       PRO   6 -12.920  -7.249  -7.249
    7   2HD   PRO   6          1HD       PRO   6 -13.595  -6.961  -6.961
    8    H    TRP   7           H        TRP   7 -11.446  -2.152  -2.152
    9    HA   TRP   7           HA       TRP   7 -11.827  -1.708  -1.708
   10   1HB   TRP   7          2HB       TRP   7 -10.962  -0.033  -0.033
   11   2HB   TRP   7          1HB       TRP   7  -9.578  -1.057  -1.057
   12    HD1  TRP   7           HD1      TRP   7 -10.731  -0.861  -0.861
   13    HE1  TRP   7           HE1      TRP   7  -8.973   0.417   0.417
   14    HE3  TRP   7           HE3      TRP   7  -7.737   0.862   0.862
   15    HZ2  TRP   7           HZ2      TRP   7  -6.605   1.970   1.970
   16    HZ3  TRP   7           HZ3      TRP   7  -5.739   2.237   2.237
   17    HH2  TRP   7           HH2      TRP   7  -5.169   2.792   2.792
   18    H    ALA   8           H        ALA   8 -10.876  -2.739  -2.739
   19    HA   ALA   8           HA       ALA   8  -9.725  -5.225  -5.225
   20   1HB   ALA   8          2HB       ALA   8  -9.648  -2.826  -2.826
   21   2HB   ALA   8          1HB       ALA   8  -8.353  -3.981  -3.981
   22   3HB   ALA   8          3HB       ALA   8 -10.041  -4.489  -4.489
   23    H    VAL   9           H        VAL   9  -8.114  -2.195  -2.195
   24    HA   VAL   9           HA       VAL   9  -5.468  -3.527  -3.527
   25    HB   VAL   9           HB       VAL   9  -6.459  -0.676  -0.676
   26   1HG1  VAL   9          1HG1      VAL   9  -3.944  -1.922  -1.922
   27   2HG1  VAL   9          3HG1      VAL   9  -3.699  -0.648  -0.648
   28   3HG1  VAL   9          2HG1      VAL   9  -4.529  -0.289  -0.289
   29   1HG2  VAL   9          3HG2      VAL   9  -6.481  -1.691  -1.691
   30   2HG2  VAL   9          2HG2      VAL   9  -5.354  -0.340  -0.340
   31   3HG2  VAL   9          1HG2      VAL   9  -4.749  -1.999  -1.999
   32    H    LYS  10           H        LYS  10  -4.645  -4.179  -4.179
   33    HA   LYS  10           HA       LYS  10  -6.252  -3.672  -3.672
   34   1HB   LYS  10          2HB       LYS  10  -4.567  -5.742  -5.742
   35   2HB   LYS  10          1HB       LYS  10  -4.020  -5.332  -5.332
   36   1HG   LYS  10          2HG       LYS  10  -6.327  -5.625  -5.625
   37   2HG   LYS  10          1HG       LYS  10  -6.858  -6.063  -6.063
   38   1HD   LYS  10          2HD       LYS  10  -5.410  -8.013  -8.013
   39   2HD   LYS  10          1HD       LYS  10  -4.709  -7.541  -7.541
   40   1HE   LYS  10          2HE       LYS  10  -6.787  -7.931  -7.931
   41   2HE   LYS  10          1HE       LYS  10  -7.665  -8.126  -8.126
   42   1HZ   LYS  10          2HZ       LYS  10  -5.291  -9.778  -9.778
   43   2HZ   LYS  10          1HZ       LYS  10  -6.700 -10.198 -10.198
   44   3HZ   LYS  10          3HZ       LYS  10  -6.720 -10.141 -10.141
   45    HA   PRO  11           HA       PRO  11  -3.329  -1.038  -1.038
   46   1HB   PRO  11          2HB       PRO  11  -2.620  -2.282  -2.282
   47   2HB   PRO  11          1HB       PRO  11  -4.209  -1.533  -1.533
   48   1HG   PRO  11          2HG       PRO  11  -3.420  -4.400  -4.400
   49   2HG   PRO  11          1HG       PRO  11  -4.890  -3.667  -3.667
   50   1HD   PRO  11          2HD       PRO  11  -4.807  -4.854  -4.854
   51   2HD   PRO  11          1HD       PRO  11  -5.902  -3.509  -3.509
   52    H    GLU  12           H        GLU  12  -2.238  -4.425  -4.425
   53    HA   GLU  12           HA       GLU  12   0.581  -3.811  -3.811
   54   1HB   GLU  12          2HB       GLU  12   0.774  -6.199  -6.199
   55   2HB   GLU  12          1HB       GLU  12  -0.389  -5.986  -5.986
   56   1HG   GLU  12          2HG       GLU  12  -2.104  -6.684  -6.684
   57   2HG   GLU  12          1HG       GLU  12  -1.620  -5.633  -5.633
   58    H    ASP  13           H        ASP  13  -1.689  -3.869  -3.869
   59    HA   ASP  13           HA       ASP  13   0.373  -3.937  -3.937
   60   1HB   ASP  13          2HB       ASP  13  -2.437  -4.330  -4.330
   61   2HB   ASP  13          1HB       ASP  13  -2.210  -2.996  -2.996
   62    H    LYS  14           H        LYS  14  -1.814  -1.591  -1.591
   63    HA   LYS  14           HA       LYS  14  -1.039   0.673   0.673
   64   1HB   LYS  14          2HB       LYS  14  -3.070   0.784   0.784
   65   2HB   LYS  14          1HB       LYS  14  -2.315   0.200   0.200
   66   1HG   LYS  14          2HG       LYS  14  -2.767   2.617   2.617
   67   2HG   LYS  14          1HG       LYS  14  -1.031   2.304   2.304
   68   1HD   LYS  14          2HD       LYS  14  -0.791   3.655   3.655
   69   2HD   LYS  14          1HD       LYS  14  -1.788   2.549   2.549
   70   1HE   LYS  14          2HE       LYS  14  -3.809   3.725   3.725
   71   2HE   LYS  14          1HE       LYS  14  -2.941   4.708   4.708
   72   1HZ   LYS  14          2HZ       LYS  14  -1.438   5.311   5.311
   73   2HZ   LYS  14          1HZ       LYS  14  -2.718   4.765   4.765
   74   3HZ   LYS  14          3HZ       LYS  14  -2.961   6.058   6.058
   75    H    ALA  15           H        ALA  15   0.457  -1.029  -1.029
   76    HA   ALA  15           HA       ALA  15   2.120   1.155   1.155
   77   1HB   ALA  15          2HB       ALA  15   1.900  -1.821  -1.821
   78   2HB   ALA  15          1HB       ALA  15   3.402  -1.050  -1.050
   79   3HB   ALA  15          3HB       ALA  15   1.871  -0.570  -0.570
   80    H    LYS  16           H        LYS  16   2.565  -1.559  -1.559
   81    HA   LYS  16           HA       LYS  16   5.294  -0.725  -0.725
   82   1HB   LYS  16          2HB       LYS  16   5.349  -2.808  -2.808
   83   2HB   LYS  16          1HB       LYS  16   3.822  -3.052  -3.052
   84   1HG   LYS  16          2HG       LYS  16   2.554  -2.550  -2.550
   85   2HG   LYS  16          1HG       LYS  16   3.952  -1.876  -1.876
   86   1HD   LYS  16          2HD       LYS  16   3.934  -3.964  -3.964
   87   2HD   LYS  16          1HD       LYS  16   4.924  -4.325  -4.325
   88   1HE   LYS  16          2HE       LYS  16   2.109  -4.533  -4.533
   89   2HE   LYS  16          1HE       LYS  16   2.504  -5.581  -5.581
   90   1HZ   LYS  16          2HZ       LYS  16   4.581  -6.161  -6.161
   91   2HZ   LYS  16          1HZ       LYS  16   3.770  -5.503  -5.503
   92   3HZ   LYS  16          3HZ       LYS  16   3.112  -6.836  -6.836
   93    H    TYR  17           H        TYR  17   2.037  -0.149  -0.149
   94    HA   TYR  17           HA       TYR  17   2.670   0.935   0.935
   95   1HB   TYR  17          2HB       TYR  17   0.335   1.255   1.255
   96   2HB   TYR  17          1HB       TYR  17   0.327   1.847   1.847
   97    HD1  TYR  17           HD1      TYR  17   2.272  -1.100  -1.100
   98    HD2  TYR  17           HD2      TYR  17  -1.800   0.253   0.253
   99    HE1  TYR  17           HE1      TYR  17   1.539  -3.332  -3.332
  100    HE2  TYR  17           HE2      TYR  17  -2.539  -1.979  -1.979
  101    HH   TYR  17           HH       TYR  17  -0.310  -4.366  -4.366
  102    H    ASP  18           H        ASP  18   2.359   2.189   2.189
  103    HA   ASP  18           HA       ASP  18   2.633   5.004   5.004
  104   1HB   ASP  18          2HB       ASP  18   2.245   3.352   3.352
  105   2HB   ASP  18          1HB       ASP  18   3.076   4.888   4.888
  106    H    ALA  19           H        ALA  19   4.767   2.391   2.391
  107    HA   ALA  19           HA       ALA  19   7.071   4.097   4.097
  108   1HB   ALA  19          1HB       ALA  19   6.511   1.153   1.153
  109   2HB   ALA  19          3HB       ALA  19   8.172   1.733   1.733
  110   3HB   ALA  19          2HB       ALA  19   7.064   1.982   1.982
  111    H    ILE  20           H        ILE  20   5.701   2.263   2.263
  112    HA   ILE  20           HA       ILE  20   7.885   2.724   2.724
  113    HB   ILE  20           HB       ILE  20   5.010   1.771   1.771
  114   1HG1  ILE  20          2HG1      ILE  20   7.531   0.246   0.246
  115   2HG1  ILE  20          1HG1      ILE  20   6.925   0.357   0.357
  116   1HG2  ILE  20          2HG2      ILE  20   7.001   2.124   2.124
  117   2HG2  ILE  20          1HG2      ILE  20   5.591   1.072   1.072
  118   3HG2  ILE  20          3HG2      ILE  20   5.380   2.804   2.804
  119   1HD1  ILE  20          2HD1      ILE  20   4.694  -0.469  -0.469
  120   2HD1  ILE  20          1HD1      ILE  20   5.486  -0.789  -0.789
  121   3HD1  ILE  20          3HD1      ILE  20   6.000  -1.654  -1.654
  122    H    PHE  21           H        PHE  21   4.751   4.127   4.127
  123    HA   PHE  21           HA       PHE  21   4.570   6.027   6.027
  124   1HB   PHE  21          2HB       PHE  21   2.575   5.750   5.750
  125   2HB   PHE  21          1HB       PHE  21   3.380   5.515   5.515
  126    HD1  PHE  21           HD2      PHE  21   4.415   7.541   7.541
  127    HD2  PHE  21           HD1      PHE  21   1.697   7.865   7.865
  128    HE1  PHE  21           HE2      PHE  21   3.974   9.908   9.908
  129    HE2  PHE  21           HE1      PHE  21   1.256  10.233  10.233
  130    HZ   PHE  21           HZ       PHE  21   2.396  11.249  11.249
  131    H    ASP  22           H        ASP  22   6.084   6.060   6.060
  132    HA   ASP  22           HA       ASP  22   6.989   8.852   8.852
  133   1HB   ASP  22          2HB       ASP  22   6.277   8.313   8.313
  134   2HB   ASP  22          1HB       ASP  22   7.022   6.713   6.713
  135    H    SER  23           H        SER  23   8.025   5.918   5.918
  136    HA   SER  23           HA       SER  23  10.929   6.379   6.379
  137   1HB   SER  23          2HB       SER  23   9.821   4.111   4.111
  138   2HB   SER  23          1HB       SER  23   9.441   4.276   4.276
  139    HG   SER  23           HG       SER  23  11.649   4.383   4.383
  140    H    LEU  24           H        LEU  24   8.581   7.587   7.587
  141    HA   LEU  24           HA       LEU  24  10.313   7.799   7.799
  142   1HB   LEU  24          2HB       LEU  24   7.475   8.727   8.727
  143   2HB   LEU  24          1HB       LEU  24   8.325   7.887   7.887
  144    HG   LEU  24           HG       LEU  24   7.513   6.571   6.571
  145   1HD1  LEU  24          1HD1      LEU  24   5.728   7.514   7.514
  146   2HD1  LEU  24          3HD1      LEU  24   6.070   5.921   5.921
  147   3HD1  LEU  24          2HD1      LEU  24   5.457   6.069   6.069
  148   1HD2  LEU  24          3HD2      LEU  24   8.985   5.795   5.795
  149   2HD2  LEU  24          2HD2      LEU  24   8.924   5.002   5.002
  150   3HD2  LEU  24          1HD2      LEU  24   7.660   4.696   4.696
  151    H    SER  25           H        SER  25   9.332   9.419   9.419
  152    HA   SER  25           HA       SER  25   9.833  11.641  11.641
  153   1HB   SER  25          2HB       SER  25  10.279  12.475  12.475
  154   2HB   SER  25          1HB       SER  25  11.129  12.981  12.981
  155    HG   SER  25           HG       SER  25  11.908  10.731  10.731
  156    HA   PRO  26           HA       PRO  26   5.530  12.205  12.205
  157   1HB   PRO  26          2HB       PRO  26   4.568  12.714  12.714
  158   2HB   PRO  26          1HB       PRO  26   4.761  11.073  11.073
  159   1HG   PRO  26          2HG       PRO  26   6.528  12.591  12.591
  160   2HG   PRO  26          1HG       PRO  26   6.069  10.881  10.881
  161   1HD   PRO  26          2HD       PRO  26   8.467  11.748  11.748
  162   2HD   PRO  26          1HD       PRO  26   7.656  10.296  10.296
  163    H    VAL  27           H        VAL  27   4.413  14.167  14.167
  164    HA   VAL  27           HA       VAL  27   5.924  16.584  16.584
  165    HB   VAL  27           HB       VAL  27   4.057  16.206  16.206
  166   1HG1  VAL  27          2HG1      VAL  27   4.545  18.539  18.539
  167   2HG1  VAL  27          1HG1      VAL  27   6.104  18.382  18.382
  168   3HG1  VAL  27          3HG1      VAL  27   4.618  18.381  18.381
  169   1HG2  VAL  27          1HG2      VAL  27   6.844  15.474  15.474
  170   2HG2  VAL  27          3HG2      VAL  27   5.802  15.130  15.130
  171   3HG2  VAL  27          2HG2      VAL  27   6.687  16.654  16.654
  172    H    ASN  28           H        ASN  28   4.839  17.164  17.164
  173    HA   ASN  28           HA       ASN  28   3.062  17.958  17.958
  174   1HB   ASN  28          2HB       ASN  28   2.895  19.435  19.435
  175   2HB   ASN  28          1HB       ASN  28   1.775  18.277  18.277
  176   1HD2  ASN  28          1HD2      ASN  28  -0.354  18.038  18.038
  177   2HD2  ASN  28          2HD2      ASN  28  -0.963  19.227  19.227
  178    H    GLY  29           H        GLY  29   3.224  15.073  15.073
  179   1HA   GLY  29          2HA       GLY  29   1.943  13.197  13.197
  180   2HA   GLY  29          1HA       GLY  29   0.548  14.260  14.260
  181    H    PHE  30           H        PHE  30   2.605  13.963  13.963
  182    HA   PHE  30           HA       PHE  30   0.434  12.566  12.566
  183   1HB   PHE  30          2HB       PHE  30   1.490  15.352  15.352
  184   2HB   PHE  30          1HB       PHE  30   0.590  14.443  14.443
  185    HD1  PHE  30           HD2      PHE  30  -1.737  13.837  13.837
  186    HD2  PHE  30           HD1      PHE  30   0.417  16.156  16.156
  187    HE1  PHE  30           HE2      PHE  30  -3.882  14.466  14.466
  188    HE2  PHE  30           HE1      PHE  30  -1.711  16.777  16.777
  189    HZ   PHE  30           HZ       PHE  30  -3.867  15.938  15.938
  190    H    LEU  31           H        LEU  31   1.145  11.817  11.817
  191    HA   LEU  31           HA       LEU  31   4.109  11.883  11.883
  192   1HB   LEU  31          2HB       LEU  31   2.224   9.506   9.506
  193   2HB   LEU  31          1HB       LEU  31   3.864   9.456   9.456
  194    HG   LEU  31           HG       LEU  31   3.341  10.399  10.399
  195   1HD1  LEU  31          3HD1      LEU  31   3.845   7.556   7.556
  196   2HD1  LEU  31          2HD1      LEU  31   3.826   8.090   8.090
  197   3HD1  LEU  31          1HD1      LEU  31   2.348   8.150   8.150
  198   1HD2  LEU  31          1HD2      LEU  31   5.671   9.544   9.544
  199   2HD2  LEU  31          3HD2      LEU  31   5.545  10.887  10.887
  200   3HD2  LEU  31          2HD2      LEU  31   5.735   9.236   9.236
  201    H    SER  32           H        SER  32   4.578  12.392  12.392
  202    HA   SER  32           HA       SER  32   2.419  12.919  12.919
  203   1HB   SER  32          2HB       SER  32   4.125  13.982  13.982
  204   2HB   SER  32          1HB       SER  32   4.648  14.168  14.168
  205    HG   SER  32           HG       SER  32   6.209  12.742  12.742
  206    H    GLY  33           H        GLY  33   1.894  11.746  11.746
  207   1HA   GLY  33          2HA       GLY  33   2.301   8.978   8.978
  208   2HA   GLY  33          1HA       GLY  33   1.927   9.964   9.964
  209    H    ASP  34           H        ASP  34   4.436  11.575  11.575
  210    HA   ASP  34           HA       ASP  34   6.240   9.941   9.941
  211   1HB   ASP  34          2HB       ASP  34   6.551  12.626  12.626
  212   2HB   ASP  34          1HB       ASP  34   7.632  11.993  11.993
  213    H    LYS  35           H        LYS  35   5.634  10.289  10.289
  214    HA   LYS  35           HA       LYS  35   8.383   9.510   9.510
  215   1HB   LYS  35          2HB       LYS  35   7.257  11.298  11.298
  216   2HB   LYS  35          1HB       LYS  35   5.815  10.305  10.305
  217   1HG   LYS  35          2HG       LYS  35   6.888   8.844   8.844
  218   2HG   LYS  35          1HG       LYS  35   8.493   9.436   9.436
  219   1HD   LYS  35          2HD       LYS  35   6.343  11.045  11.045
  220   2HD   LYS  35          1HD       LYS  35   7.795  10.387  10.387
  221   1HE   LYS  35          2HE       LYS  35   8.929  12.244  12.244
  222   2HE   LYS  35          1HE       LYS  35   8.597  11.856  11.856
  223   1HZ   LYS  35          2HZ       LYS  35   6.356  12.808  12.808
  224   2HZ   LYS  35          1HZ       LYS  35   6.813  13.319  13.319
  225   3HZ   LYS  35          3HZ       LYS  35   7.591  13.959  13.959
  226    H    VAL  36           H        VAL  36   5.019   8.504   8.504
  227    HA   VAL  36           HA       VAL  36   5.589   5.901   5.901
  228    HB   VAL  36           HB       VAL  36   3.154   7.144   7.144
  229   1HG1  VAL  36          2HG1      VAL  36   3.524   4.666   4.666
  230   2HG1  VAL  36          1HG1      VAL  36   1.957   5.423   5.423
  231   3HG1  VAL  36          3HG1      VAL  36   2.863   4.763   4.763
  232   1HG2  VAL  36          1HG2      VAL  36   4.234   7.089   7.089
  233   2HG2  VAL  36          3HG2      VAL  36   3.761   8.488   8.488
  234   3HG2  VAL  36          2HG2      VAL  36   2.528   7.392   7.392
  235    H    LYS  37           H        LYS  37   4.932   7.139   7.139
  236    HA   LYS  37           HA       LYS  37   4.218   4.945   4.945
  237   1HB   LYS  37          2HB       LYS  37   4.557   6.976   6.976
  238   2HB   LYS  37          1HB       LYS  37   6.178   7.184   7.184
  239   1HG   LYS  37          2HG       LYS  37   7.139   5.841   5.841
  240   2HG   LYS  37          1HG       LYS  37   5.743   4.764   4.764
  241   1HD   LYS  37          2HD       LYS  37   4.941   7.352   7.352
  242   2HD   LYS  37          1HD       LYS  37   6.415   6.886   6.886
  243   1HE   LYS  37          2HE       LYS  37   4.999   5.700   5.700
  244   2HE   LYS  37          1HE       LYS  37   4.967   4.532   4.532
  245   1HZ   LYS  37          3HZ       LYS  37   3.263   6.466   6.466
  246   2HZ   LYS  37          2HZ       LYS  37   2.942   6.399   6.399
  247   3HZ   LYS  37          1HZ       LYS  37   2.797   5.001   5.001
  248    HA   PRO  38           HA       PRO  38   8.729   3.297   3.297
  249   1HB   PRO  38          2HB       PRO  38  10.455   4.225   4.225
  250   2HB   PRO  38          1HB       PRO  38  10.318   4.953   4.953
  251   1HG   PRO  38          2HG       PRO  38   9.078   5.811   5.811
  252   2HG   PRO  38          1HG       PRO  38   9.849   6.793   6.793
  253   1HD   PRO  38          2HD       PRO  38   7.185   6.620   6.620
  254   2HD   PRO  38          1HD       PRO  38   7.987   6.720   6.720
  255    H    VAL  39           H        VAL  39   7.332   4.202   4.202
  256    HA   VAL  39           HA       VAL  39   8.203   1.845   1.845
  257    HB   VAL  39           HB       VAL  39   6.254   4.115   4.115
  258   1HG1  VAL  39          3HG1      VAL  39   5.160   2.009   2.009
  259   2HG1  VAL  39          2HG1      VAL  39   6.518   1.830   1.830
  260   3HG1  VAL  39          1HG1      VAL  39   5.454   3.231   3.231
  261   1HG2  VAL  39          2HG2      VAL  39   8.894   3.837   3.837
  262   2HG2  VAL  39          1HG2      VAL  39   7.814   4.910   4.910
  263   3HG2  VAL  39          3HG2      VAL  39   8.182   3.305   3.305
  264    H    LEU  40           H        LEU  40   5.938   2.339   2.339
  265    HA   LEU  40           HA       LEU  40   4.193   0.095   0.095
  266   1HB   LEU  40          2HB       LEU  40   4.065   2.141   2.141
  267   2HB   LEU  40          1HB       LEU  40   2.880   0.853   0.853
  268    HG   LEU  40           HG       LEU  40   3.527   3.034   3.034
  269   1HD1  LEU  40          2HD1      LEU  40   1.193   2.442   2.442
  270   2HD1  LEU  40          1HD1      LEU  40   1.000   3.436   3.436
  271   3HD1  LEU  40          3HD1      LEU  40   2.102   3.944   3.944
  272   1HD2  LEU  40          1HD2      LEU  40   2.148   0.416   0.416
  273   2HD2  LEU  40          3HD2      LEU  40   2.939   1.387   1.387
  274   3HD2  LEU  40          2HD2      LEU  40   1.303   1.790   1.790
  275    H    LEU  41           H        LEU  41   6.851   0.849   0.849
  276    HA   LEU  41           HA       LEU  41   6.433  -1.411  -1.411
  277   1HB   LEU  41          2HB       LEU  41   8.687   0.579   0.579
  278   2HB   LEU  41          1HB       LEU  41   8.555  -0.537  -0.537
  279    HG   LEU  41           HG       LEU  41   6.174   1.147   1.147
  280   1HD1  LEU  41          3HD1      LEU  41   8.815   2.277   2.277
  281   2HD1  LEU  41          2HD1      LEU  41   7.867   2.705   2.705
  282   3HD1  LEU  41          1HD1      LEU  41   7.273   3.109   3.109
  283   1HD2  LEU  41          3HD2      LEU  41   6.751  -0.560  -0.560
  284   2HD2  LEU  41          2HD2      LEU  41   5.889   0.933   0.933
  285   3HD2  LEU  41          1HD2      LEU  41   7.624   0.813   0.813
  286    H    ASN  42           H        ASN  42   8.640  -0.463  -0.463
  287    HA   ASN  42           HA       ASN  42  10.433  -2.611  -2.611
  288   1HB   ASN  42          2HB       ASN  42  10.843  -2.075  -2.075
  289   2HB   ASN  42          1HB       ASN  42  10.279  -0.571  -0.571
  290   1HD2  ASN  42          1HD2      ASN  42   7.576  -0.711  -0.711
  291   2HD2  ASN  42          2HD2      ASN  42   6.943  -1.006  -1.006
  292    H    SER  43           H        SER  43   7.031  -2.623  -2.623
  293    HA   SER  43           HA       SER  43   6.917  -5.095  -5.095
  294   1HB   SER  43          2HB       SER  43   4.843  -4.232  -4.232
  295   2HB   SER  43          1HB       SER  43   5.187  -3.064  -3.064
  296    HG   SER  43           HG       SER  43   3.440  -4.811  -4.811
  297    H    LYS  44           H        LYS  44   7.786  -4.504  -4.504
  298    HA   LYS  44           HA       LYS  44   8.279  -6.039  -6.039
  299   1HB   LYS  44          2HB       LYS  44   8.345  -7.525  -7.525
  300   2HB   LYS  44          1HB       LYS  44   6.943  -8.264  -8.264
  301   1HG   LYS  44          2HG       LYS  44   8.466  -9.511  -9.511
  302   2HG   LYS  44          1HG       LYS  44   8.709  -8.059  -8.059
  303   1HD   LYS  44          2HD       LYS  44  10.849  -8.025  -8.025
  304   2HD   LYS  44          1HD       LYS  44  10.255  -7.684  -7.684
  305   1HE   LYS  44          2HE       LYS  44   9.876 -10.469 -10.469
  306   2HE   LYS  44          1HE       LYS  44  11.529 -10.079 -10.079
  307   1HZ   LYS  44          2HZ       LYS  44  10.356  -9.010  -9.010
  308   2HZ   LYS  44          1HZ       LYS  44  11.197 -10.486 -10.486
  309   3HZ   LYS  44          3HZ       LYS  44  11.992  -9.047  -9.047
  310    H    LEU  45           H        LEU  45   5.382  -4.924  -4.924
  311    HA   LEU  45           HA       LEU  45   3.621  -6.652  -6.652
  312   1HB   LEU  45          2HB       LEU  45   3.423  -4.201  -4.201
  313   2HB   LEU  45          1HB       LEU  45   2.114  -4.537  -4.537
  314    HG   LEU  45           HG       LEU  45   3.167  -6.497  -6.497
  315   1HD1  LEU  45          3HD1      LEU  45   1.660  -4.285  -4.285
  316   2HD1  LEU  45          2HD1      LEU  45   0.399  -5.459  -5.459
  317   3HD1  LEU  45          1HD1      LEU  45   1.552  -5.784  -5.784
  318   1HD2  LEU  45          3HD2      LEU  45   1.859  -7.035  -7.035
  319   2HD2  LEU  45          2HD2      LEU  45   1.787  -8.054  -8.054
  320   3HD2  LEU  45          1HD2      LEU  45   0.514  -6.876  -6.876
  321    HA   PRO  46           HA       PRO  46   4.168  -4.423  -4.423
  322   1HB   PRO  46          2HB       PRO  46   1.725  -4.816  -4.816
  323   2HB   PRO  46          1HB       PRO  46   2.961  -6.081  -6.081
  324   1HG   PRO  46          2HG       PRO  46   0.496  -5.681  -5.681
  325   2HG   PRO  46          1HG       PRO  46   1.306  -7.178  -7.178
  326   1HD   PRO  46          2HD       PRO  46   1.455  -6.032  -6.032
  327   2HD   PRO  46          1HD       PRO  46   2.619  -7.198  -7.198
  328    H    VAL  47           H        VAL  47   3.329  -2.535  -2.535
  329    HA   VAL  47           HA       VAL  47   2.599  -0.338  -0.338
  330    HB   VAL  47           HB       VAL  47   2.569  -0.852  -0.852
  331   1HG1  VAL  47          2HG1      VAL  47   0.977   0.979   0.979
  332   2HG1  VAL  47          1HG1      VAL  47   2.336   1.824   1.824
  333   3HG1  VAL  47          3HG1      VAL  47   2.320   1.535   1.535
  334   1HG2  VAL  47          1HG2      VAL  47   4.522   0.143   0.143
  335   2HG2  VAL  47          3HG2      VAL  47   4.800  -0.803  -0.803
  336   3HG2  VAL  47          2HG2      VAL  47   4.532   0.937   0.937
  337    H    ASP  48           H        ASP  48   0.628  -2.827  -2.827
  338    HA   ASP  48           HA       ASP  48  -1.791  -1.257  -1.257
  339   1HB   ASP  48          2HB       ASP  48  -0.888  -4.063  -4.063
  340   2HB   ASP  48          1HB       ASP  48  -2.573  -3.828  -3.828
  341    H    ILE  49           H        ILE  49  -0.400  -3.269  -3.269
  342    HA   ILE  49           HA       ILE  49  -2.586  -3.059  -3.059
  343    HB   ILE  49           HB       ILE  49   0.380  -3.269  -3.269
  344   1HG1  ILE  49          2HG1      ILE  49  -0.101  -4.912  -4.912
  345   2HG1  ILE  49          1HG1      ILE  49  -0.011  -5.749  -5.749
  346   1HG2  ILE  49          2HG2      ILE  49  -1.968  -3.321  -3.321
  347   2HG2  ILE  49          1HG2      ILE  49  -1.319  -4.961  -4.961
  348   3HG2  ILE  49          3HG2      ILE  49  -0.304  -3.622  -3.622
  349   1HD1  ILE  49          3HD1      ILE  49  -2.670  -5.051  -5.051
  350   2HD1  ILE  49          2HD1      ILE  49  -2.304  -5.411  -5.411
  351   3HD1  ILE  49          1HD1      ILE  49  -2.016  -6.627  -6.627
  352    H    LEU  50           H        LEU  50   0.392  -1.233  -1.233
  353    HA   LEU  50           HA       LEU  50   0.095   0.694   0.694
  354   1HB   LEU  50          2HB       LEU  50   1.309   1.092   1.092
  355   2HB   LEU  50          1HB       LEU  50   1.809   1.855   1.855
  356    HG   LEU  50           HG       LEU  50   2.252  -0.963  -0.963
  357   1HD1  LEU  50          3HD1      LEU  50   3.861   1.322   1.322
  358   2HD1  LEU  50          2HD1      LEU  50   4.463  -0.320  -0.320
  359   3HD1  LEU  50          1HD1      LEU  50   4.172   0.302   0.302
  360   1HD2  LEU  50          2HD2      LEU  50   1.673  -0.081  -0.081
  361   2HD2  LEU  50          1HD2      LEU  50   1.476  -1.670  -1.670
  362   3HD2  LEU  50          3HD2      LEU  50   3.068  -1.135  -1.135
  363    H    GLY  51           H        GLY  51  -1.616   0.255   0.255
  364   1HA   GLY  51          2HA       GLY  51  -2.509   3.060   3.060
  365   2HA   GLY  51          1HA       GLY  51  -3.040   1.748   1.748
  366    H    ARG  52           H        ARG  52  -3.629  -0.045  -0.045
  367    HA   ARG  52           HA       ARG  52  -6.281   1.061   1.061
  368   1HB   ARG  52          2HB       ARG  52  -4.976  -1.567  -1.567
  369   2HB   ARG  52          1HB       ARG  52  -6.176  -1.498  -1.498
  370   1HG   ARG  52          2HG       ARG  52  -7.804  -0.518  -0.518
  371   2HG   ARG  52          1HG       ARG  52  -6.609  -0.726  -0.726
  372   1HD   ARG  52          2HD       ARG  52  -7.174  -3.135  -3.135
  373   2HD   ARG  52          1HD       ARG  52  -8.458  -2.617  -2.617
  374    HE   ARG  52           HE       ARG  52  -5.856  -2.546  -2.546
  375   1HH1  ARG  52          1HH2      ARG  52  -7.900  -4.899  -4.899
  376   2HH1  ARG  52          2HH2      ARG  52  -7.861  -5.958  -5.958
  377   1HH2  ARG  52          2HH1      ARG  52  -6.033  -3.768  -3.768
  378   2HH2  ARG  52          1HH1      ARG  52  -6.804  -5.317  -5.317
  379    H    VAL  53           H        VAL  53  -3.633  -0.691  -0.691
  380    HA   VAL  53           HA       VAL  53  -4.422  -0.462  -0.462
  381    HB   VAL  53           HB       VAL  53  -1.758  -0.249  -0.249
  382   1HG1  VAL  53          1HG1      VAL  53  -2.320   0.556   0.556
  383   2HG1  VAL  53          3HG1      VAL  53  -1.366  -0.924  -0.924
  384   3HG1  VAL  53          2HG1      VAL  53  -0.764   0.497   0.497
  385   1HG2  VAL  53          3HG2      VAL  53  -3.145  -2.380  -2.380
  386   2HG2  VAL  53          2HG2      VAL  53  -1.506  -2.516  -2.516
  387   3HG2  VAL  53          1HG2      VAL  53  -2.879  -2.376  -2.376
  388    H    TRP  54           H        TRP  54  -2.922   2.079   2.079
  389    HA   TRP  54           HA       TRP  54  -2.795   3.998   3.998
  390   1HB   TRP  54          2HB       TRP  54  -1.297   4.198   4.198
  391   2HB   TRP  54          1HB       TRP  54  -2.652   4.227   4.227
  392    HD1  TRP  54           HD1      TRP  54  -4.332   6.368   6.368
  393    HE1  TRP  54           HE1      TRP  54  -3.849   8.800   8.800
  394    HE3  TRP  54           HE3      TRP  54   0.147   5.730   5.730
  395    HZ2  TRP  54           HZ2      TRP  54  -1.822  10.281  10.281
  396    HZ3  TRP  54           HZ3      TRP  54   1.334   7.664   7.664
  397    HH2  TRP  54           HH2      TRP  54   0.356   9.940   9.940
  398    H    GLU  55           H        GLU  55  -4.832   3.918   3.918
  399    HA   GLU  55           HA       GLU  55  -6.598   5.993   5.993
  400   1HB   GLU  55          2HB       GLU  55  -7.165   3.356   3.356
  401   2HB   GLU  55          1HB       GLU  55  -8.173   4.799   4.799
  402   1HG   GLU  55          2HG       GLU  55  -5.241   4.874   4.874
  403   2HG   GLU  55          1HG       GLU  55  -6.463   4.406   4.406
  404    H    LEU  56           H        LEU  56  -6.441   2.691   2.691
  405    HA   LEU  56           HA       LEU  56  -8.979   2.918   2.918
  406   1HB   LEU  56          2HB       LEU  56  -6.857   0.750   0.750
  407   2HB   LEU  56          1HB       LEU  56  -8.492   0.553   0.553
  408    HG   LEU  56           HG       LEU  56  -7.901   1.469   1.469
  409   1HD1  LEU  56          1HD1      LEU  56  -7.392  -1.058  -1.058
  410   2HD1  LEU  56          3HD1      LEU  56  -9.036  -1.210  -1.210
  411   3HD1  LEU  56          2HD1      LEU  56  -7.736  -0.676  -0.676
  412   1HD2  LEU  56          1HD2      LEU  56 -10.304   1.064   1.064
  413   2HD2  LEU  56          3HD2      LEU  56 -10.094   2.042   2.042
  414   3HD2  LEU  56          2HD2      LEU  56 -10.396   0.310   0.310
  415    H    SER  57           H        SER  57  -5.640   3.539   3.539
  416    HA   SER  57           HA       SER  57  -5.781   3.323   3.323
  417   1HB   SER  57          2HB       SER  57  -3.618   3.670   3.670
  418   2HB   SER  57          1HB       SER  57  -3.292   3.957   3.957
  419    HG   SER  57           HG       SER  57  -3.494   1.635   1.635
  420    H    ASP  58           H        ASP  58  -5.627   5.648   5.648
  421    HA   ASP  58           HA       ASP  58  -5.035   7.924   7.924
  422   1HB   ASP  58          2HB       ASP  58  -4.523   7.479   7.479
  423   2HB   ASP  58          1HB       ASP  58  -6.163   8.081   8.081
  424    H    ILE  59           H        ILE  59  -7.005   7.154   7.154
  425    HA   ILE  59           HA       ILE  59  -9.678   7.219   7.219
  426    HB   ILE  59           HB       ILE  59  -8.231   8.634   8.634
  427   1HG1  ILE  59          2HG1      ILE  59  -7.712   6.232   6.232
  428   2HG1  ILE  59          1HG1      ILE  59  -8.717   6.543   6.543
  429   1HG2  ILE  59          1HG2      ILE  59 -10.693   9.245   9.245
  430   2HG2  ILE  59          3HG2      ILE  59 -11.060   7.592   7.592
  431   3HG2  ILE  59          2HG2      ILE  59 -10.280   8.701   8.701
  432   1HD1  ILE  59          1HD1      ILE  59 -10.726   5.871   5.871
  433   2HD1  ILE  59          3HD1      ILE  59  -9.707   5.536   5.536
  434   3HD1  ILE  59          2HD1      ILE  59  -9.535   4.570   4.570
  435    H    ASP  60           H        ASP  60  -7.465   9.947   9.947
  436    HA   ASP  60           HA       ASP  60  -9.671  11.863  11.863
  437   1HB   ASP  60          2HB       ASP  60  -8.216  12.790  12.790
  438   2HB   ASP  60          1HB       ASP  60  -6.835  11.891  11.891
  439    H    HIS  61           H        HIS  61  -6.976  10.250  10.250
  440    HA   HIS  61           HA       HIS  61  -6.407  10.131  10.131
  441   1HB   HIS  61          2HB       HIS  61  -9.056  11.513  11.513
  442   2HB   HIS  61          1HB       HIS  61  -8.255  10.322  10.322
  443    HD1  HIS  61           HD1      HIS  61  -8.376   7.822   7.822
  444    HD2  HIS  61           HD2      HIS  61 -10.513  10.425  10.425
  445    HE1  HIS  61           HE1      HIS  61  -9.856   6.377   6.377
  446    H    ASP  62           H        ASP  62  -5.348  12.344  12.344
  447    HA   ASP  62           HA       ASP  62  -5.682  14.594  14.594
  448   1HB   ASP  62          2HB       ASP  62  -5.203  16.035  16.035
  449   2HB   ASP  62          1HB       ASP  62  -6.211  14.774  14.774
  450    H    GLY  63           H        GLY  63  -3.809  12.059  12.059
  451   1HA   GLY  63          2HA       GLY  63  -1.704  11.789  11.789
  452   2HA   GLY  63          1HA       GLY  63  -1.425  13.525  13.525
  453    H    MET  64           H        MET  64  -2.524  12.366  12.366
  454    HA   MET  64           HA       MET  64   0.209  11.683  11.683
  455   1HB   MET  64          2HB       MET  64  -1.458  14.060  14.060
  456   2HB   MET  64          1HB       MET  64  -0.797  13.314  13.314
  457   1HG   MET  64          2HG       MET  64   1.445  13.423  13.423
  458   2HG   MET  64          1HG       MET  64   0.829  14.024  14.024
  459   1HE   MET  64          2HE       MET  64   3.014  15.216  15.216
  460   2HE   MET  64          1HE       MET  64   2.913  16.804  16.804
  461   3HE   MET  64          3HE       MET  64   2.911  15.340  15.340
  462    H    LEU  65           H        LEU  65   0.173  10.558  10.558
  463    HA   LEU  65           HA       LEU  65  -2.493   9.319   9.319
  464   1HB   LEU  65          2HB       LEU  65   0.355   8.276   8.276
  465   2HB   LEU  65          1HB       LEU  65  -0.971   7.406   7.406
  466    HG   LEU  65           HG       LEU  65  -1.046   8.276   8.276
  467   1HD1  LEU  65          1HD1      LEU  65   0.291   5.978   5.978
  468   2HD1  LEU  65          3HD1      LEU  65  -0.703   5.576   5.576
  469   3HD1  LEU  65          2HD1      LEU  65   0.623   6.728   6.728
  470   1HD2  LEU  65          1HD2      LEU  65  -3.211   7.780   7.780
  471   2HD2  LEU  65          3HD2      LEU  65  -2.826   6.570   6.570
  472   3HD2  LEU  65          2HD2      LEU  65  -2.594   6.201   6.201
  473    H    ASP  66           H        ASP  66  -3.183  10.208  10.208
  474    HA   ASP  66           HA       ASP  66  -1.345  11.385  11.385
  475   1HB   ASP  66          2HB       ASP  66  -4.187  10.513  10.513
  476   2HB   ASP  66          1HB       ASP  66  -3.336  11.920  11.920
  477    H    ARG  67           H        ARG  67  -0.957  10.564  10.564
  478    HA   ARG  67           HA       ARG  67   0.064   8.093   8.093
  479   1HB   ARG  67          2HB       ARG  67  -1.009   8.353   8.353
  480   2HB   ARG  67          1HB       ARG  67   0.159   9.541   9.541
  481   1HG   ARG  67          2HG       ARG  67  -1.379  11.186  11.186
  482   2HG   ARG  67          1HG       ARG  67  -2.523  10.244  10.244
  483   1HD   ARG  67          2HD       ARG  67  -3.761   9.962   9.962
  484   2HD   ARG  67          1HD       ARG  67  -2.422   9.023   9.023
  485    HE   ARG  67           HE       ARG  67  -1.455  11.275  11.275
  486   1HH1  ARG  67          1HH2      ARG  67  -4.038  10.372  10.372
  487   2HH1  ARG  67          2HH2      ARG  67  -4.889  11.877  11.877
  488   1HH2  ARG  67          2HH1      ARG  67  -2.883  13.434  13.434
  489   2HH2  ARG  67          1HH1      ARG  67  -4.237  13.610  13.610
  490    H    ASP  68           H        ASP  68  -3.415   8.775   8.775
  491    HA   ASP  68           HA       ASP  68  -4.126   6.021   6.021
  492   1HB   ASP  68          2HB       ASP  68  -6.434   6.967   6.967
  493   2HB   ASP  68          1HB       ASP  68  -5.515   7.860   7.860
  494    H    GLU  69           H        GLU  69  -4.317   8.060   8.060
  495    HA   GLU  69           HA       GLU  69  -5.477   6.127   6.127
  496   1HB   GLU  69          2HB       GLU  69  -3.519   8.375   8.375
  497   2HB   GLU  69          1HB       GLU  69  -4.655   7.661   7.661
  498   1HG   GLU  69          2HG       GLU  69  -6.459   8.319   8.319
  499   2HG   GLU  69          1HG       GLU  69  -5.217   9.421   9.421
  500    H    PHE  70           H        PHE  70  -2.080   7.000   7.000
  501    HA   PHE  70           HA       PHE  70  -0.869   5.191   5.191
  502   1HB   PHE  70          2HB       PHE  70   0.178   7.094   7.094
  503   2HB   PHE  70          1HB       PHE  70   0.121   6.085   6.085
  504    HD1  PHE  70           HD2      PHE  70   1.510   4.080   4.080
  505    HD2  PHE  70           HD1      PHE  70   1.684   6.575   6.575
  506    HE1  PHE  70           HE2      PHE  70   3.598   2.942   2.942
  507    HE2  PHE  70           HE1      PHE  70   3.771   5.437   5.437
  508    HZ   PHE  70           HZ       PHE  70   4.722   3.628   3.628
  509    H    ALA  71           H        ALA  71  -2.385   4.693   4.693
  510    HA   ALA  71           HA       ALA  71  -1.153   2.165   2.165
  511   1HB   ALA  71          2HB       ALA  71  -2.771   3.956   3.956
  512   2HB   ALA  71          1HB       ALA  71  -3.966   2.743   2.743
  513   3HB   ALA  71          3HB       ALA  71  -2.593   2.293   2.293
  514    H    VAL  72           H        VAL  72  -4.190   3.040   3.040
  515    HA   VAL  72           HA       VAL  72  -5.123   0.383   0.383
  516    HB   VAL  72           HB       VAL  72  -5.475   2.954   2.954
  517   1HG1  VAL  72          1HG1      VAL  72  -6.393   0.297   0.297
  518   2HG1  VAL  72          3HG1      VAL  72  -7.781   1.252   1.252
  519   3HG1  VAL  72          2HG1      VAL  72  -6.825   1.768   1.768
  520   1HG2  VAL  72          1HG2      VAL  72  -6.021   2.992   2.992
  521   2HG2  VAL  72          3HG2      VAL  72  -7.355   3.406   3.406
  522   3HG2  VAL  72          2HG2      VAL  72  -7.274   1.801   1.801
  523    H    ALA  73           H        ALA  73  -2.647   2.312   2.312
  524    HA   ALA  73           HA       ALA  73  -2.540   0.577   0.577
  525   1HB   ALA  73          3HB       ALA  73  -1.859   3.237   3.237
  526   2HB   ALA  73          2HB       ALA  73  -0.365   2.435   2.435
  527   3HB   ALA  73          1HB       ALA  73  -1.741   2.501   2.501
  528    H    MET  74           H        MET  74  -1.397   0.335   0.335
  529    HA   MET  74           HA       MET  74   1.259  -0.784  -0.784
  530   1HB   MET  74          2HB       MET  74  -0.336  -0.269  -0.269
  531   2HB   MET  74          1HB       MET  74   1.162  -1.197  -1.197
  532   1HG   MET  74          2HG       MET  74   1.161   1.444   1.444
  533   2HG   MET  74          1HG       MET  74   1.202   1.428   1.428
  534   1HE   MET  74          3HE       MET  74   2.441   0.693   0.693
  535   2HE   MET  74          2HE       MET  74   3.955   1.553   1.553
  536   3HE   MET  74          1HE       MET  74   3.964  -0.201  -0.201
  537    H    PHE  75           H        PHE  75  -1.836  -1.911  -1.911
  538    HA   PHE  75           HA       PHE  75  -0.987  -4.705  -4.705
  539   1HB   PHE  75          2HB       PHE  75  -3.054  -5.062  -5.062
  540   2HB   PHE  75          1HB       PHE  75  -2.786  -3.367  -3.367
  541    HD1  PHE  75           HD1      PHE  75  -4.498  -5.661  -5.661
  542    HD2  PHE  75           HD2      PHE  75  -4.205  -1.656  -1.656
  543    HE1  PHE  75           HE1      PHE  75  -6.576  -5.057  -5.057
  544    HE2  PHE  75           HE2      PHE  75  -6.283  -1.050  -1.050
  545    HZ   PHE  75           HZ       PHE  75  -7.470  -2.753  -2.753
  546    H    LEU  76           H        LEU  76  -2.631  -2.447  -2.447
  547    HA   LEU  76           HA       LEU  76  -3.738  -4.266  -4.266
  548   1HB   LEU  76          2HB       LEU  76  -3.043  -1.400  -1.400
  549   2HB   LEU  76          1HB       LEU  76  -3.108  -1.987  -1.987
  550    HG   LEU  76           HG       LEU  76  -5.318  -2.483  -2.483
  551   1HD1  LEU  76          3HD1      LEU  76  -4.625   0.000   0.000
  552   2HD1  LEU  76          2HD1      LEU  76  -5.801  -0.550  -0.550
  553   3HD1  LEU  76          1HD1      LEU  76  -6.249  -0.463  -0.463
  554   1HD2  LEU  76          2HD2      LEU  76  -4.909  -2.918  -2.918
  555   2HD2  LEU  76          1HD2      LEU  76  -5.563  -4.026  -4.026
  556   3HD2  LEU  76          3HD2      LEU  76  -6.538  -2.674  -2.674
  557    H    VAL  77           H        VAL  77  -0.558  -2.909  -2.909
  558    HA   VAL  77           HA       VAL  77   0.535  -4.007  -4.007
  559    HB   VAL  77           HB       VAL  77   1.645  -2.402  -2.402
  560   1HG1  VAL  77          2HG1      VAL  77   2.959  -3.311  -3.311
  561   2HG1  VAL  77          1HG1      VAL  77   3.615  -2.049  -2.049
  562   3HG1  VAL  77          3HG1      VAL  77   3.468  -3.703  -3.703
  563   1HG2  VAL  77          1HG2      VAL  77   0.024  -1.264  -1.264
  564   2HG2  VAL  77          3HG2      VAL  77   1.639  -0.570  -0.570
  565   3HG2  VAL  77          2HG2      VAL  77   1.050  -1.657  -1.657
  566    H    TYR  78           H        TYR  78   0.323  -4.798  -4.798
  567    HA   TYR  78           HA       TYR  78   2.458  -6.843  -6.843
  568   1HB   TYR  78          2HB       TYR  78   0.912  -5.403  -5.403
  569   2HB   TYR  78          1HB       TYR  78   1.125  -7.114  -7.114
  570    HD1  TYR  78           HD2      TYR  78   3.654  -7.933  -7.933
  571    HD2  TYR  78           HD1      TYR  78   2.518  -4.049  -4.049
  572    HE1  TYR  78           HE2      TYR  78   6.008  -7.484  -7.484
  573    HE2  TYR  78           HE1      TYR  78   4.864  -3.600  -3.600
  574    HH   TYR  78           HH       TYR  78   7.455  -5.435  -5.435
  575    H    CYS  79           H        CYS  79  -1.027  -6.555  -6.555
  576    HA   CYS  79           HA       CYS  79  -1.491  -9.445  -9.445
  577   1HB   CYS  79          2HB       CYS  79  -3.149  -6.988  -6.988
  578   2HB   CYS  79          1HB       CYS  79  -3.848  -8.604  -8.604
  579    HG   CYS  79           HG       CYS  79  -3.684  -8.809  -8.809
  580    H    ALA  80           H        ALA  80  -0.569  -7.299  -7.299
  581    HA   ALA  80           HA       ALA  80  -1.766  -8.894  -8.894
  582   1HB   ALA  80          1HB       ALA  80  -0.099  -6.392  -6.392
  583   2HB   ALA  80          3HB       ALA  80  -0.341  -7.139  -7.139
  584   3HB   ALA  80          2HB       ALA  80  -1.727  -6.555  -6.555
  585    H    LEU  81           H        LEU  81   0.960  -8.982  -8.982
  586    HA   LEU  81           HA       LEU  81   2.795 -10.140 -10.140
  587   1HB   LEU  81          2HB       LEU  81   3.211 -10.012 -10.012
  588   2HB   LEU  81          1HB       LEU  81   4.410  -9.857  -9.857
  589    HG   LEU  81           HG       LEU  81   2.452  -7.826  -7.826
  590   1HD1  LEU  81          3HD1      LEU  81   5.277  -8.251  -8.251
  591   2HD1  LEU  81          2HD1      LEU  81   4.958  -6.784  -6.784
  592   3HD1  LEU  81          1HD1      LEU  81   4.361  -6.932  -6.932
  593   1HD2  LEU  81          1HD2      LEU  81   3.355  -8.207  -8.207
  594   2HD2  LEU  81          3HD2      LEU  81   1.899  -7.425  -7.425
  595   3HD2  LEU  81          2HD2      LEU  81   3.438  -6.562  -6.562
  596    H    GLU  82           H        GLU  82   1.107 -11.083 -11.083
  597    HA   GLU  82           HA       GLU  82   1.965 -13.831 -13.831
  598   1HB   GLU  82          2HB       GLU  82  -0.165 -12.211 -12.211
  599   2HB   GLU  82          1HB       GLU  82  -0.138 -13.964 -13.964
  600   1HG   GLU  82          2HG       GLU  82   2.309 -12.255 -12.255
  601   2HG   GLU  82          1HG       GLU  82   1.154 -12.631 -12.631
  602    H    LYS  83           H        LYS  83  -1.154 -12.289 -12.289
  603    HA   LYS  83           HA       LYS  83  -1.589 -13.847 -13.847
  604   1HB   LYS  83          2HB       LYS  83  -1.606 -15.616 -15.616
  605   2HB   LYS  83          1HB       LYS  83  -3.055 -14.847 -14.847
  606   1HG   LYS  83          2HG       LYS  83  -4.194 -15.190 -15.190
  607   2HG   LYS  83          1HG       LYS  83  -2.746 -15.971 -15.971
  608   1HD   LYS  83          2HD       LYS  83  -3.574 -17.913 -17.913
  609   2HD   LYS  83          1HD       LYS  83  -3.235 -17.295 -17.295
  610   1HE   LYS  83          2HE       LYS  83  -5.581 -16.037 -16.037
  611   2HE   LYS  83          1HE       LYS  83  -5.836 -17.481 -17.481
  612   1HZ   LYS  83          3HZ       LYS  83  -4.591 -17.842 -17.842
  613   2HZ   LYS  83          2HZ       LYS  83  -6.257 -17.516 -17.516
  614   3HZ   LYS  83          1HZ       LYS  83  -5.641 -18.871 -18.871
  615    H    GLU  84           H        GLU  84  -2.993 -12.060 -12.060
  616    HA   GLU  84           HA       GLU  84  -5.621 -11.673 -11.673
  617   1HB   GLU  84          2HB       GLU  84  -3.872 -10.621 -10.621
  618   2HB   GLU  84          1HB       GLU  84  -4.986  -9.405  -9.405
  619   1HG   GLU  84          2HG       GLU  84  -6.611 -11.617 -11.617
  620   2HG   GLU  84          1HG       GLU  84  -5.548 -11.796 -11.796
  621    HA   PRO  85           HA       PRO  85  -4.290  -8.965  -8.965
  622   1HB   PRO  85          2HB       PRO  85  -6.682  -9.029  -9.029
  623   2HB   PRO  85          1HB       PRO  85  -5.481 -10.328 -10.328
  624   1HG   PRO  85          2HG       PRO  85  -7.982 -10.213 -10.213
  625   2HG   PRO  85          1HG       PRO  85  -7.243 -11.582 -11.582
  626   1HD   PRO  85          2HD       PRO  85  -7.084 -11.172 -11.172
  627   2HD   PRO  85          1HD       PRO  85  -5.905 -12.111 -12.111
  628    H    VAL  86           H        VAL  86  -5.679  -6.970  -6.970
  629    HA   VAL  86           HA       VAL  86  -6.843  -5.513  -5.513
  630    HB   VAL  86           HB       VAL  86  -5.475  -4.516  -4.516
  631   1HG1  VAL  86          2HG1      VAL  86  -7.188  -2.981  -2.981
  632   2HG1  VAL  86          1HG1      VAL  86  -6.227  -2.998  -2.998
  633   3HG1  VAL  86          3HG1      VAL  86  -5.550  -2.328  -2.328
  634   1HG2  VAL  86          2HG2      VAL  86  -4.411  -5.604  -5.604
  635   2HG2  VAL  86          1HG2      VAL  86  -3.530  -4.832  -4.832
  636   3HG2  VAL  86          3HG2      VAL  86  -4.116  -3.866  -3.866
  637    HA   PRO  87           HA       PRO  87 -10.501  -5.352  -5.352
  638   1HB   PRO  87          2HB       PRO  87 -11.872  -3.470  -3.470
  639   2HB   PRO  87          1HB       PRO  87 -11.620  -5.129  -5.129
  640   1HG   PRO  87          2HG       PRO  87 -10.365  -2.629  -2.629
  641   2HG   PRO  87          1HG       PRO  87 -10.564  -4.162  -4.162
  642   1HD   PRO  87          2HD       PRO  87  -8.225  -3.176  -3.176
  643   2HD   PRO  87          1HD       PRO  87  -8.455  -4.766  -4.766
  644    H    MET  88           H        MET  88 -12.083  -3.120  -3.120
  645    HA   MET  88           HA       MET  88 -10.197  -1.302  -1.302
  646   1HB   MET  88          2HB       MET  88 -11.524  -2.992  -2.992
  647   2HB   MET  88          1HB       MET  88 -12.988  -2.169  -2.169
  648   1HG   MET  88          2HG       MET  88 -12.469  -0.200  -0.200
  649   2HG   MET  88          1HG       MET  88 -10.764  -0.628  -0.628
  650   1HE   MET  88          2HE       MET  88 -10.423  -0.183  -0.183
  651   2HE   MET  88          1HE       MET  88  -9.774  -1.821  -1.821
  652   3HE   MET  88          3HE       MET  88 -10.759  -1.283  -1.283
  653    H    SER  89           H        SER  89 -12.101  -1.236  -1.236
  654    HA   SER  89           HA       SER  89 -12.549   1.634   1.634
  655   1HB   SER  89          2HB       SER  89 -14.561  -0.308  -0.308
  656   2HB   SER  89          1HB       SER  89 -15.139   0.755   0.755
  657    HG   SER  89           HG       SER  89 -15.456   1.547   1.547
  658    H    LEU  90           H        LEU  90 -11.464  -0.496  -0.496
  659    HA   LEU  90           HA       LEU  90 -11.163  -0.730  -0.730
  660   1HB   LEU  90          2HB       LEU  90 -12.082   1.933   1.933
  661   2HB   LEU  90          1HB       LEU  90 -12.741   1.429   1.429
  662    HG   LEU  90           HG       LEU  90  -9.819   1.304   1.304
  663   1HD1  LEU  90          2HD1      LEU  90 -11.496   3.367   3.367
  664   2HD1  LEU  90          1HD1      LEU  90 -10.071   2.953   2.953
  665   3HD1  LEU  90          3HD1      LEU  90  -9.887   3.504   3.504
  666   1HD2  LEU  90          3HD2      LEU  90 -11.408   0.274   0.274
  667   2HD2  LEU  90          2HD2      LEU  90  -9.924  -0.358  -0.358
  668   3HD2  LEU  90          1HD2      LEU  90  -9.858   1.021   1.021
  669    HA   PRO  91           HA       PRO  91 -14.967  -2.929  -2.929
  670   1HB   PRO  91          2HB       PRO  91 -14.021  -4.237  -4.237
  671   2HB   PRO  91          1HB       PRO  91 -13.664  -4.754  -4.754
  672   1HG   PRO  91          2HG       PRO  91 -11.988  -3.174  -3.174
  673   2HG   PRO  91          1HG       PRO  91 -11.513  -4.464  -4.464
  674   1HD   PRO  91          2HD       PRO  91 -11.103  -1.844  -1.844
  675   2HD   PRO  91          1HD       PRO  91 -11.419  -3.044  -3.044
  676    HA   PRO  92           HA       PRO  92 -16.815  -0.603  -0.603
  677   1HB   PRO  92          2HB       PRO  92 -18.347  -2.412  -2.412
  678   2HB   PRO  92          1HB       PRO  92 -18.729  -1.860  -1.860
  679   1HG   PRO  92          2HG       PRO  92 -17.485  -4.400  -4.400
  680   2HG   PRO  92          1HG       PRO  92 -18.600  -4.099  -4.099
  681   1HD   PRO  92          2HD       PRO  92 -15.882  -4.450  -4.450
  682   2HD   PRO  92          1HD       PRO  92 -16.914  -3.608  -3.608
  683    H    ALA  93           H        ALA  93 -14.943  -3.365  -3.365
  684    HA   ALA  93           HA       ALA  93 -14.982  -2.460  -2.460
  685   1HB   ALA  93          2HB       ALA  93 -14.620  -4.873  -4.873
  686   2HB   ALA  93          1HB       ALA  93 -13.053  -4.519  -4.519
  687   3HB   ALA  93          3HB       ALA  93 -14.497  -4.644  -4.644
  688    H    LEU  94           H        LEU  94 -13.457  -1.280  -1.280
  689    HA   LEU  94           HA       LEU  94 -10.828  -0.960  -0.960
  690   1HB   LEU  94          2HB       LEU  94 -11.750  -1.142  -1.142
  691   2HB   LEU  94          1HB       LEU  94 -10.252  -0.282  -0.282
  692    HG   LEU  94           HG       LEU  94  -9.966  -2.745  -2.745
  693   1HD1  LEU  94          1HD1      LEU  94  -9.132  -1.632  -1.632
  694   2HD1  LEU  94          3HD1      LEU  94  -8.451  -3.095  -3.095
  695   3HD1  LEU  94          2HD1      LEU  94  -8.236  -1.539  -1.539
  696   1HD2  LEU  94          1HD2      LEU  94 -12.114  -3.280  -3.280
  697   2HD2  LEU  94          3HD2      LEU  94 -10.739  -4.368  -4.368
  698   3HD2  LEU  94          2HD2      LEU  94 -11.083  -3.150  -3.150
  699    H    VAL  95           H        VAL  95 -13.209   0.770   0.770
  700    HA   VAL  95           HA       VAL  95 -12.076   3.341   3.341
  701    HB   VAL  95           HB       VAL  95 -14.976   2.888   2.888
  702   1HG1  VAL  95          3HG1      VAL  95 -13.419   4.824   4.824
  703   2HG1  VAL  95          2HG1      VAL  95 -15.177   4.693   4.693
  704   3HG1  VAL  95          1HG1      VAL  95 -14.380   5.190   5.190
  705   1HG2  VAL  95          1HG2      VAL  95 -13.467   1.709   1.709
  706   2HG2  VAL  95          3HG2      VAL  95 -15.147   1.442   1.442
  707   3HG2  VAL  95          2HG2      VAL  95 -14.728   2.786   2.786
  708    HA   PRO  96           HA       PRO  96 -11.673   4.173   4.173
  709   1HB   PRO  96          2HB       PRO  96 -10.786   6.750   6.750
  710   2HB   PRO  96          1HB       PRO  96  -9.746   5.340   5.340
  711   1HG   PRO  96          2HG       PRO  96 -11.148   7.086   7.086
  712   2HG   PRO  96          1HG       PRO  96  -9.539   6.354   6.354
  713   1HD   PRO  96          2HD       PRO  96 -11.718   5.369   5.369
  714   2HD   PRO  96          1HD       PRO  96 -10.344   4.364   4.364
  715    HA   PRO  97           HA       PRO  97 -15.243   6.518   6.518
  716   1HB   PRO  97          2HB       PRO  97 -14.411   8.149   8.149
  717   2HB   PRO  97          1HB       PRO  97 -14.621   6.397   6.397
  718   1HG   PRO  97          2HG       PRO  97 -12.127   7.967   7.967
  719   2HG   PRO  97          1HG       PRO  97 -12.410   6.574   6.574
  720   1HD   PRO  97          2HD       PRO  97 -11.168   6.380   6.380
  721   2HD   PRO  97          1HD       PRO  97 -12.123   5.059   5.059
  722    H    SER  98           H        SER  98 -16.207   8.713   8.713
  723    HA   SER  98           HA       SER  98 -16.367  10.953  10.953
  724   1HB   SER  98          2HB       SER  98 -13.831  10.765  10.765
  725   2HB   SER  98          1HB       SER  98 -13.501  11.070  11.070
  726    HG   SER  98           HG       SER  98 -13.916  13.069  13.069
  727    H    LYS  99           H        LYS  99 -14.182   8.927   8.927
  728    HA   LYS  99           HA       LYS  99 -15.204  10.160  10.160
  729   1HB   LYS  99          2HB       LYS  99 -12.795   9.216   9.216
  730   2HB   LYS  99          1HB       LYS  99 -13.477   7.714   7.714
  731   1HG   LYS  99          2HG       LYS  99 -14.000  10.030  10.030
  732   2HG   LYS  99          1HG       LYS  99 -12.282   9.674   9.674
  733   1HD   LYS  99          2HD       LYS  99 -12.615   8.120   8.120
  734   2HD   LYS  99          1HD       LYS  99 -13.356   7.160   7.160
  735   1HE   LYS  99          2HE       LYS  99 -15.235   7.188   7.188
  736   2HE   LYS  99          1HE       LYS  99 -15.403   8.887   8.887
  737   1HZ   LYS  99          3HZ       LYS  99 -13.765   7.923   7.923
  738   2HZ   LYS  99          2HZ       LYS  99 -15.301   8.635   8.635
  739   3HZ   LYS  99          1HZ       LYS  99 -13.994   9.540   9.540
  740    H    ARG 100           H        ARG 100 -16.487   8.064   8.064
  741    HA   ARG 100           HA       ARG 100 -17.487   6.101   6.101
  742   1HB   ARG 100          2HB       ARG 100 -16.900   6.168   6.168
  743   2HB   ARG 100          1HB       ARG 100 -18.501   5.502   5.502
  744   1HG   ARG 100          2HG       ARG 100 -17.664   3.733   3.733
  745   2HG   ARG 100          1HG       ARG 100 -16.180   4.595   4.595
  746   1HD   ARG 100          2HD       ARG 100 -15.972   2.685   2.685
  747   2HD   ARG 100          1HD       ARG 100 -15.269   4.245   4.245
  748    HE   ARG 100           HE       ARG 100 -16.861   4.239   4.239
  749   1HH1  ARG 100          1HH2      ARG 100 -17.874   2.123   2.123
  750   2HH1  ARG 100          2HH2      ARG 100 -19.530   2.082   2.082
  751   1HH2  ARG 100          2HH1      ARG 100 -19.103   4.455   4.455
  752   2HH2  ARG 100          1HH1      ARG 100 -20.228   3.406   3.406

  Start of MODEL    6
    1    HA   PRO   6           HA       PRO   6 -14.143  -1.655  -1.655
    2   1HB   PRO   6          2HB       PRO   6 -11.921  -3.245  -3.245
    3   2HB   PRO   6          1HB       PRO   6 -13.204  -3.324  -3.324
    4   1HG   PRO   6          2HG       PRO   6 -12.649  -5.137  -5.137
    5   2HG   PRO   6          1HG       PRO   6 -13.289  -5.502  -5.502
    6   1HD   PRO   6          2HD       PRO   6 -14.808  -5.315  -5.315
    7   2HD   PRO   6          1HD       PRO   6 -15.439  -5.153  -5.153
    8    H    TRP   7           H        TRP   7 -11.585  -1.289  -1.289
    9    HA   TRP   7           HA       TRP   7 -11.792  -0.502  -0.502
   10   1HB   TRP   7          2HB       TRP   7 -10.696   0.851   0.851
   11   2HB   TRP   7          1HB       TRP   7  -9.512  -0.431  -0.431
   12    HD1  TRP   7           HD1      TRP   7 -10.508   0.026   0.026
   13    HE1  TRP   7           HE1      TRP   7  -8.620   1.203   1.203
   14    HE3  TRP   7           HE3      TRP   7  -7.541   1.495   1.495
   15    HZ2  TRP   7           HZ2      TRP   7  -6.171   2.588   2.588
   16    HZ3  TRP   7           HZ3      TRP   7  -5.441   2.739   2.739
   17    HH2  TRP   7           HH2      TRP   7  -4.752   3.287   3.287
   18    H    ALA   8           H        ALA   8 -11.157  -1.759  -1.759
   19    HA   ALA   8           HA       ALA   8 -10.414  -4.409  -4.409
   20   1HB   ALA   8          1HB       ALA   8  -9.547  -2.128  -2.128
   21   2HB   ALA   8          3HB       ALA   8  -9.269  -3.823  -3.823
   22   3HB   ALA   8          2HB       ALA   8 -10.916  -3.214  -3.214
   23    H    VAL   9           H        VAL   9  -8.342  -1.658  -1.658
   24    HA   VAL   9           HA       VAL   9  -5.923  -3.380  -3.380
   25    HB   VAL   9           HB       VAL   9  -6.492  -0.420  -0.420
   26   1HG1  VAL   9          2HG1      VAL   9  -3.949  -1.982  -1.982
   27   2HG1  VAL   9          1HG1      VAL   9  -3.910  -0.290  -0.290
   28   3HG1  VAL   9          3HG1      VAL   9  -4.676  -0.749  -0.749
   29   1HG2  VAL   9          3HG2      VAL   9  -5.173  -2.194  -2.194
   30   2HG2  VAL   9          2HG2      VAL   9  -6.528  -1.087  -1.087
   31   3HG2  VAL   9          1HG2      VAL   9  -4.902  -0.452  -0.452
   32    H    LYS  10           H        LYS  10  -4.643  -3.492  -3.492
   33    HA   LYS  10           HA       LYS  10  -6.299  -3.198  -3.198
   34   1HB   LYS  10          2HB       LYS  10  -4.257  -5.128  -5.128
   35   2HB   LYS  10          1HB       LYS  10  -4.393  -4.928  -4.928
   36   1HG   LYS  10          2HG       LYS  10  -6.878  -5.338  -5.338
   37   2HG   LYS  10          1HG       LYS  10  -5.874  -6.728  -6.728
   38   1HD   LYS  10          2HD       LYS  10  -6.164  -6.370  -6.370
   39   2HD   LYS  10          1HD       LYS  10  -6.803  -4.745  -4.745
   40   1HE   LYS  10          2HE       LYS  10  -8.759  -5.798  -5.798
   41   2HE   LYS  10          1HE       LYS  10  -8.161  -7.374  -7.374
   42   1HZ   LYS  10          1HZ       LYS  10  -8.264  -5.287  -5.287
   43   2HZ   LYS  10          3HZ       LYS  10  -9.776  -5.813  -5.813
   44   3HZ   LYS  10          2HZ       LYS  10  -8.686  -6.929  -6.929
   45    HA   PRO  11           HA       PRO  11  -3.398  -0.431  -0.431
   46   1HB   PRO  11          2HB       PRO  11  -2.822  -1.531  -1.531
   47   2HB   PRO  11          1HB       PRO  11  -4.367  -0.737  -0.737
   48   1HG   PRO  11          2HG       PRO  11  -3.693  -3.645  -3.645
   49   2HG   PRO  11          1HG       PRO  11  -5.133  -2.818  -2.818
   50   1HD   PRO  11          2HD       PRO  11  -5.146  -4.119  -4.119
   51   2HD   PRO  11          1HD       PRO  11  -6.096  -2.639  -2.639
   52    H    GLU  12           H        GLU  12  -2.425  -3.847  -3.847
   53    HA   GLU  12           HA       GLU  12   0.401  -3.281  -3.281
   54   1HB   GLU  12          2HB       GLU  12  -0.090  -5.408  -5.408
   55   2HB   GLU  12          1HB       GLU  12  -1.440  -5.576  -5.576
   56   1HG   GLU  12          2HG       GLU  12  -0.097  -6.352  -6.352
   57   2HG   GLU  12          1HG       GLU  12   1.343  -5.540  -5.540
   58    H    ASP  13           H        ASP  13  -1.803  -3.532  -3.532
   59    HA   ASP  13           HA       ASP  13   0.356  -3.753  -3.753
   60   1HB   ASP  13          2HB       ASP  13  -2.634  -3.245  -3.245
   61   2HB   ASP  13          1HB       ASP  13  -1.566  -3.666  -3.666
   62    H    LYS  14           H        LYS  14  -1.832  -1.321  -1.321
   63    HA   LYS  14           HA       LYS  14  -1.048   0.795   0.795
   64   1HB   LYS  14          2HB       LYS  14  -3.176   0.862   0.862
   65   2HB   LYS  14          1HB       LYS  14  -2.388   0.695   0.695
   66   1HG   LYS  14          2HG       LYS  14  -2.980   3.029   3.029
   67   2HG   LYS  14          1HG       LYS  14  -1.225   2.876   2.876
   68   1HD   LYS  14          2HD       LYS  14  -1.789   2.517   2.517
   69   2HD   LYS  14          1HD       LYS  14  -3.195   3.487   3.487
   70   1HE   LYS  14          2HE       LYS  14  -1.861   5.312   5.312
   71   2HE   LYS  14          1HE       LYS  14  -1.014   4.765   4.765
   72   1HZ   LYS  14          3HZ       LYS  14  -0.401   3.446   3.446
   73   2HZ   LYS  14          2HZ       LYS  14   0.252   4.991   4.991
   74   3HZ   LYS  14          1HZ       LYS  14   0.601   3.718   3.718
   75    H    ALA  15           H        ALA  15   0.316  -0.682  -0.682
   76    HA   ALA  15           HA       ALA  15   1.919   1.571   1.571
   77   1HB   ALA  15          2HB       ALA  15   2.127  -1.437  -1.437
   78   2HB   ALA  15          1HB       ALA  15   2.994  -0.231  -0.231
   79   3HB   ALA  15          3HB       ALA  15   1.235  -0.324  -0.324
   80    H    LYS  16           H        LYS  16   2.442  -1.294  -1.294
   81    HA   LYS  16           HA       LYS  16   5.220  -0.611  -0.611
   82   1HB   LYS  16          2HB       LYS  16   5.188  -2.664  -2.664
   83   2HB   LYS  16          1HB       LYS  16   3.847  -2.883  -2.883
   84   1HG   LYS  16          2HG       LYS  16   2.335  -1.990  -1.990
   85   2HG   LYS  16          1HG       LYS  16   3.703  -2.126  -2.126
   86   1HD   LYS  16          2HD       LYS  16   3.077  -4.515  -4.515
   87   2HD   LYS  16          1HD       LYS  16   1.946  -4.133  -4.133
   88   1HE   LYS  16          2HE       LYS  16   3.530  -5.512  -5.512
   89   2HE   LYS  16          1HE       LYS  16   4.128  -3.883  -3.883
   90   1HZ   LYS  16          2HZ       LYS  16   4.927  -5.208  -5.208
   91   2HZ   LYS  16          1HZ       LYS  16   5.736  -5.591  -5.591
   92   3HZ   LYS  16          3HZ       LYS  16   5.734  -3.994  -3.994
   93    H    TYR  17           H        TYR  17   2.071   0.127   0.127
   94    HA   TYR  17           HA       TYR  17   2.958   1.052   1.052
   95   1HB   TYR  17          2HB       TYR  17   0.474   1.579   1.579
   96   2HB   TYR  17          1HB       TYR  17   0.643   2.018   2.018
   97    HD1  TYR  17           HD1      TYR  17   2.466  -0.921  -0.921
   98    HD2  TYR  17           HD2      TYR  17  -1.589   0.475   0.475
   99    HE1  TYR  17           HE1      TYR  17   1.711  -3.188  -3.188
  100    HE2  TYR  17           HE2      TYR  17  -2.353  -1.789  -1.789
  101    HH   TYR  17           HH       TYR  17  -1.347  -4.243  -4.243
  102    H    ASP  18           H        ASP  18   2.360   2.446   2.446
  103    HA   ASP  18           HA       ASP  18   2.678   5.223   5.223
  104   1HB   ASP  18          2HB       ASP  18   2.103   3.603   3.603
  105   2HB   ASP  18          1HB       ASP  18   3.378   4.741   4.741
  106    H    ALA  19           H        ALA  19   4.894   2.661   2.661
  107    HA   ALA  19           HA       ALA  19   7.185   4.429   4.429
  108   1HB   ALA  19          3HB       ALA  19   6.626   1.937   1.937
  109   2HB   ALA  19          2HB       ALA  19   7.393   1.537   1.537
  110   3HB   ALA  19          1HB       ALA  19   8.293   2.422   2.422
  111    H    ILE  20           H        ILE  20   5.849   2.449   2.449
  112    HA   ILE  20           HA       ILE  20   7.930   2.970   2.970
  113    HB   ILE  20           HB       ILE  20   5.090   1.929   1.929
  114   1HG1  ILE  20          2HG1      ILE  20   7.562   0.471   0.471
  115   2HG1  ILE  20          1HG1      ILE  20   7.206   0.642   0.642
  116   1HG2  ILE  20          3HG2      ILE  20   5.898   3.177   3.177
  117   2HG2  ILE  20          2HG2      ILE  20   6.730   1.649   1.649
  118   3HG2  ILE  20          1HG2      ILE  20   4.978   1.679   1.679
  119   1HD1  ILE  20          3HD1      ILE  20   5.111  -0.365  -0.365
  120   2HD1  ILE  20          2HD1      ILE  20   6.298  -1.462  -1.462
  121   3HD1  ILE  20          1HD1      ILE  20   5.190  -0.572  -0.572
  122    H    PHE  21           H        PHE  21   4.965   4.447   4.447
  123    HA   PHE  21           HA       PHE  21   4.584   6.292   6.292
  124   1HB   PHE  21          2HB       PHE  21   2.681   6.030   6.030
  125   2HB   PHE  21          1HB       PHE  21   3.595   5.772   5.772
  126    HD1  PHE  21           HD2      PHE  21   4.744   7.807   7.807
  127    HD2  PHE  21           HD1      PHE  21   1.716   8.123   8.123
  128    HE1  PHE  21           HE2      PHE  21   4.320  10.156  10.156
  129    HE2  PHE  21           HE1      PHE  21   1.284  10.468  10.468
  130    HZ   PHE  21           HZ       PHE  21   2.593  11.487  11.487
  131    H    ASP  22           H        ASP  22   6.246   6.412   6.412
  132    HA   ASP  22           HA       ASP  22   7.180   9.174   9.174
  133   1HB   ASP  22          2HB       ASP  22   6.648   8.635   8.635
  134   2HB   ASP  22          1HB       ASP  22   7.432   7.056   7.056
  135    H    SER  23           H        SER  23   8.060   6.238   6.238
  136    HA   SER  23           HA       SER  23  11.000   6.656   6.656
  137   1HB   SER  23          2HB       SER  23   9.147   4.528   4.528
  138   2HB   SER  23          1HB       SER  23  10.892   4.475   4.475
  139    HG   SER  23           HG       SER  23  11.183   4.152   4.152
  140    H    LEU  24           H        LEU  24   8.467   7.829   7.829
  141    HA   LEU  24           HA       LEU  24  10.040   8.065   8.065
  142   1HB   LEU  24          2HB       LEU  24   7.162   8.711   8.711
  143   2HB   LEU  24          1HB       LEU  24   8.072   7.690   7.690
  144    HG   LEU  24           HG       LEU  24   7.167   6.891   6.891
  145   1HD1  LEU  24          1HD1      LEU  24   5.615   7.134   7.134
  146   2HD1  LEU  24          3HD1      LEU  24   6.115   5.443   5.443
  147   3HD1  LEU  24          2HD1      LEU  24   5.263   6.061   6.061
  148   1HD2  LEU  24          1HD2      LEU  24   9.025   5.754   5.754
  149   2HD2  LEU  24          3HD2      LEU  24   8.800   5.340   5.340
  150   3HD2  LEU  24          2HD2      LEU  24   7.758   4.622   4.622
  151    H    SER  25           H        SER  25   9.154   9.695   9.695
  152    HA   SER  25           HA       SER  25   9.486  11.986  11.986
  153   1HB   SER  25          2HB       SER  25  10.632  11.732  11.732
  154   2HB   SER  25          1HB       SER  25   9.436  13.003  13.003
  155    HG   SER  25           HG       SER  25  11.762  13.342  13.342
  156    HA   PRO  26           HA       PRO  26   5.038  12.463  12.463
  157   1HB   PRO  26          2HB       PRO  26   4.516  13.259  13.259
  158   2HB   PRO  26          1HB       PRO  26   4.691  11.551  11.551
  159   1HG   PRO  26          2HG       PRO  26   6.615  13.360  13.360
  160   2HG   PRO  26          1HG       PRO  26   6.326  11.632  11.632
  161   1HD   PRO  26          2HD       PRO  26   8.434  12.681  12.681
  162   2HD   PRO  26          1HD       PRO  26   7.798  11.034  11.034
  163    H    VAL  27           H        VAL  27   3.884  14.387  14.387
  164    HA   VAL  27           HA       VAL  27   5.350  16.940  16.940
  165    HB   VAL  27           HB       VAL  27   3.513  16.177  16.177
  166   1HG1  VAL  27          1HG1      VAL  27   3.448  18.593  18.593
  167   2HG1  VAL  27          3HG1      VAL  27   5.186  18.675  18.675
  168   3HG1  VAL  27          2HG1      VAL  27   4.085  18.346  18.346
  169   1HG2  VAL  27          1HG2      VAL  27   6.443  16.076  16.076
  170   2HG2  VAL  27          3HG2      VAL  27   5.439  15.159  15.159
  171   3HG2  VAL  27          2HG2      VAL  27   5.932  16.804  16.804
  172    H    ASN  28           H        ASN  28   4.205  17.325  17.325
  173    HA   ASN  28           HA       ASN  28   2.409  18.241  18.241
  174   1HB   ASN  28          2HB       ASN  28   2.135  19.420  19.420
  175   2HB   ASN  28          1HB       ASN  28   0.861  18.241  18.241
  176   1HD2  ASN  28          1HD2      ASN  28  -0.848  18.102  18.102
  177   2HD2  ASN  28          2HD2      ASN  28  -1.297  19.569  19.569
  178    H    GLY  29           H        GLY  29   2.782  15.314  15.314
  179   1HA   GLY  29          2HA       GLY  29   1.646  13.416  13.416
  180   2HA   GLY  29          1HA       GLY  29   0.174  14.383  14.383
  181    H    PHE  30           H        PHE  30   2.082  14.314  14.314
  182    HA   PHE  30           HA       PHE  30   0.145  12.447  12.447
  183   1HB   PHE  30          2HB       PHE  30   0.833  15.259  15.259
  184   2HB   PHE  30          1HB       PHE  30  -0.213  14.130  14.130
  185    HD1  PHE  30           HD2      PHE  30  -1.869  12.886  12.886
  186    HD2  PHE  30           HD1      PHE  30  -0.391  16.907  16.907
  187    HE1  PHE  30           HE2      PHE  30  -3.803  13.558  13.558
  188    HE2  PHE  30           HE1      PHE  30  -2.309  17.580  17.580
  189    HZ   PHE  30           HZ       PHE  30  -4.019  15.903  15.903
  190    H    LEU  31           H        LEU  31   1.019  11.303  11.303
  191    HA   LEU  31           HA       LEU  31   3.886  11.903  11.903
  192   1HB   LEU  31          2HB       LEU  31   2.339   9.325   9.325
  193   2HB   LEU  31          1HB       LEU  31   3.876   9.390   9.390
  194    HG   LEU  31           HG       LEU  31   3.513  10.418  10.418
  195   1HD1  LEU  31          3HD1      LEU  31   3.264   7.810   7.810
  196   2HD1  LEU  31          2HD1      LEU  31   5.023   7.918   7.918
  197   3HD1  LEU  31          1HD1      LEU  31   4.058   8.352   8.352
  198   1HD2  LEU  31          3HD2      LEU  31   5.830  10.001  10.001
  199   2HD2  LEU  31          2HD2      LEU  31   5.426  11.430  11.430
  200   3HD2  LEU  31          1HD2      LEU  31   6.086   9.998   9.998
  201    H    SER  32           H        SER  32   4.232  12.289  12.289
  202    HA   SER  32           HA       SER  32   1.917  12.156  12.156
  203   1HB   SER  32          2HB       SER  32   4.357  13.653  13.653
  204   2HB   SER  32          1HB       SER  32   4.239  13.015  13.015
  205    HG   SER  32           HG       SER  32   2.039  13.863  13.863
  206    H    GLY  33           H        GLY  33   1.869  10.895  10.895
  207   1HA   GLY  33          2HA       GLY  33   2.830   8.307   8.307
  208   2HA   GLY  33          1HA       GLY  33   2.549   9.208   9.208
  209    H    ASP  34           H        ASP  34   4.599  11.229  11.229
  210    HA   ASP  34           HA       ASP  34   6.852  10.175  10.175
  211   1HB   ASP  34          2HB       ASP  34   6.128  12.507  12.507
  212   2HB   ASP  34          1HB       ASP  34   7.853  12.146  12.146
  213    H    LYS  35           H        LYS  35   5.869   9.831   9.831
  214    HA   LYS  35           HA       LYS  35   8.525   8.614   8.614
  215   1HB   LYS  35          2HB       LYS  35   6.525   9.160   9.160
  216   2HB   LYS  35          1HB       LYS  35   8.256   9.485   9.485
  217   1HG   LYS  35          2HG       LYS  35   7.752  11.369  11.369
  218   2HG   LYS  35          1HG       LYS  35   6.049  11.130  11.130
  219   1HD   LYS  35          2HD       LYS  35   6.700  11.395  11.395
  220   2HD   LYS  35          1HD       LYS  35   8.289  11.914  11.914
  221   1HE   LYS  35          2HE       LYS  35   6.011  13.279  13.279
  222   2HE   LYS  35          1HE       LYS  35   6.226  13.642  13.642
  223   1HZ   LYS  35          2HZ       LYS  35   8.513  13.576  13.576
  224   2HZ   LYS  35          1HZ       LYS  35   7.607  14.993  14.993
  225   3HZ   LYS  35          3HZ       LYS  35   8.432  14.285  14.285
  226    H    VAL  36           H        VAL  36   5.025   8.212   8.212
  227    HA   VAL  36           HA       VAL  36   5.190   5.531   5.531
  228    HB   VAL  36           HB       VAL  36   2.981   7.101   7.101
  229   1HG1  VAL  36          2HG1      VAL  36   3.114   4.378   4.378
  230   2HG1  VAL  36          1HG1      VAL  36   1.843   5.340   5.340
  231   3HG1  VAL  36          3HG1      VAL  36   1.872   5.135   5.135
  232   1HG2  VAL  36          2HG2      VAL  36   3.750   6.730   6.730
  233   2HG2  VAL  36          1HG2      VAL  36   3.849   8.227   8.227
  234   3HG2  VAL  36          3HG2      VAL  36   2.275   7.527   7.527
  235    H    LYS  37           H        LYS  37   4.156   6.805   6.805
  236    HA   LYS  37           HA       LYS  37   3.621   4.508   4.508
  237   1HB   LYS  37          2HB       LYS  37   3.867   7.057   7.057
  238   2HB   LYS  37          1HB       LYS  37   5.449   6.540   6.540
  239   1HG   LYS  37          2HG       LYS  37   4.101   4.608   4.608
  240   2HG   LYS  37          1HG       LYS  37   2.723   5.686   5.686
  241   1HD   LYS  37          2HD       LYS  37   3.423   7.088   7.088
  242   2HD   LYS  37          1HD       LYS  37   5.092   7.051   7.051
  243   1HE   LYS  37          2HE       LYS  37   5.303   5.971   5.971
  244   2HE   LYS  37          1HE       LYS  37   5.023   4.582   4.582
  245   1HZ   LYS  37          2HZ       LYS  37   2.904   6.102   6.102
  246   2HZ   LYS  37          1HZ       LYS  37   3.491   4.577   4.577
  247   3HZ   LYS  37          3HZ       LYS  37   2.660   4.752   4.752
  248    HA   PRO  38           HA       PRO  38   8.259   3.618   3.618
  249   1HB   PRO  38          2HB       PRO  38  10.074   4.826   4.826
  250   2HB   PRO  38          1HB       PRO  38   9.580   5.521   5.521
  251   1HG   PRO  38          2HG       PRO  38   8.681   6.209   6.209
  252   2HG   PRO  38          1HG       PRO  38   9.009   7.271   7.271
  253   1HD   PRO  38          2HD       PRO  38   6.503   6.570   6.570
  254   2HD   PRO  38          1HD       PRO  38   6.935   6.940   6.940
  255    H    VAL  39           H        VAL  39   7.236   4.391   4.391
  256    HA   VAL  39           HA       VAL  39   8.633   2.296   2.296
  257    HB   VAL  39           HB       VAL  39   6.343   4.177   4.177
  258   1HG1  VAL  39          3HG1      VAL  39   6.629   1.591   1.591
  259   2HG1  VAL  39          2HG1      VAL  39   6.571   2.967   2.967
  260   3HG1  VAL  39          1HG1      VAL  39   5.257   2.698   2.698
  261   1HG2  VAL  39          1HG2      VAL  39   8.985   4.402   4.402
  262   2HG2  VAL  39          3HG2      VAL  39   7.795   5.230   5.230
  263   3HG2  VAL  39          2HG2      VAL  39   8.515   3.717   3.717
  264    H    LEU  40           H        LEU  40   5.627   2.464   2.464
  265    HA   LEU  40           HA       LEU  40   4.668  -0.155  -0.155
  266   1HB   LEU  40          2HB       LEU  40   3.829   1.615   1.615
  267   2HB   LEU  40          1HB       LEU  40   2.882   0.302   0.302
  268    HG   LEU  40           HG       LEU  40   3.632   2.931   2.931
  269   1HD1  LEU  40          1HD1      LEU  40   1.108   1.541   1.541
  270   2HD1  LEU  40          3HD1      LEU  40   1.068   2.729   2.729
  271   3HD1  LEU  40          2HD1      LEU  40   1.615   3.203   3.203
  272   1HD2  LEU  40          3HD2      LEU  40   2.846   0.324   0.324
  273   2HD2  LEU  40          2HD2      LEU  40   4.033   1.508   1.508
  274   3HD2  LEU  40          1HD2      LEU  40   2.306   1.836   1.836
  275    H    LEU  41           H        LEU  41   6.837   1.073   1.073
  276    HA   LEU  41           HA       LEU  41   6.630  -1.096  -1.096
  277   1HB   LEU  41          2HB       LEU  41   8.529   1.151   1.151
  278   2HB   LEU  41          1HB       LEU  41   8.985  -0.074  -0.074
  279    HG   LEU  41           HG       LEU  41   6.352   1.395   1.395
  280   1HD1  LEU  41          1HD1      LEU  41   9.064   2.323   2.323
  281   2HD1  LEU  41          3HD1      LEU  41   7.952   2.426   2.426
  282   3HD1  LEU  41          2HD1      LEU  41   7.569   3.245   3.245
  283   1HD2  LEU  41          2HD2      LEU  41   6.678  -0.773  -0.773
  284   2HD2  LEU  41          1HD2      LEU  41   6.377   0.598   0.598
  285   3HD2  LEU  41          3HD2      LEU  41   8.015  -0.025  -0.025
  286    H    ASN  42           H        ASN  42   8.277  -0.492  -0.492
  287    HA   ASN  42           HA       ASN  42  10.354  -2.437  -2.437
  288   1HB   ASN  42          2HB       ASN  42   8.704  -1.343  -1.343
  289   2HB   ASN  42          1HB       ASN  42  10.176  -2.292  -2.292
  290   1HD2  ASN  42          1HD2      ASN  42   8.921   0.801   0.801
  291   2HD2  ASN  42          2HD2      ASN  42  10.422   1.591   1.591
  292    H    SER  43           H        SER  43   6.921  -2.720  -2.720
  293    HA   SER  43           HA       SER  43   6.816  -5.326  -5.326
  294   1HB   SER  43          2HB       SER  43   4.826  -4.173  -4.173
  295   2HB   SER  43          1HB       SER  43   5.010  -3.435  -3.435
  296    HG   SER  43           HG       SER  43   3.436  -5.333  -5.333
  297    H    LYS  44           H        LYS  44   7.959  -4.379  -4.379
  298    HA   LYS  44           HA       LYS  44   8.638  -5.682  -5.682
  299   1HB   LYS  44          2HB       LYS  44   8.801  -7.362  -7.362
  300   2HB   LYS  44          1HB       LYS  44   7.337  -8.058  -8.058
  301   1HG   LYS  44          2HG       LYS  44   9.290  -9.211  -9.211
  302   2HG   LYS  44          1HG       LYS  44   8.522  -8.268  -8.268
  303   1HD   LYS  44          2HD       LYS  44  10.570  -6.812  -6.812
  304   2HD   LYS  44          1HD       LYS  44  11.187  -8.150  -8.150
  305   1HE   LYS  44          2HE       LYS  44   9.223  -6.540  -6.540
  306   2HE   LYS  44          1HE       LYS  44  10.645  -5.601  -5.601
  307   1HZ   LYS  44          1HZ       LYS  44  12.038  -7.447  -7.447
  308   2HZ   LYS  44          3HZ       LYS  44  10.650  -8.207  -8.207
  309   3HZ   LYS  44          2HZ       LYS  44  11.141  -6.706  -6.706
  310    H    LEU  45           H        LEU  45   5.577  -4.945  -4.945
  311    HA   LEU  45           HA       LEU  45   4.084  -6.547  -6.547
  312   1HB   LEU  45          2HB       LEU  45   3.556  -4.399  -4.399
  313   2HB   LEU  45          1HB       LEU  45   2.343  -4.697  -4.697
  314    HG   LEU  45           HG       LEU  45   3.513  -6.847  -6.847
  315   1HD1  LEU  45          1HD1      LEU  45   1.838  -4.871  -4.871
  316   2HD1  LEU  45          3HD1      LEU  45   0.672  -6.056  -6.056
  317   3HD1  LEU  45          2HD1      LEU  45   1.831  -6.507  -6.507
  318   1HD2  LEU  45          1HD2      LEU  45   2.368  -7.179  -7.179
  319   2HD2  LEU  45          3HD2      LEU  45   2.166  -8.339  -8.339
  320   3HD2  LEU  45          2HD2      LEU  45   0.917  -7.133  -7.133
  321    HA   PRO  46           HA       PRO  46   4.508  -3.779  -3.779
  322   1HB   PRO  46          2HB       PRO  46   2.067  -4.028  -4.028
  323   2HB   PRO  46          1HB       PRO  46   3.314  -5.290  -5.290
  324   1HG   PRO  46          2HG       PRO  46   0.870  -5.124  -5.124
  325   2HG   PRO  46          1HG       PRO  46   1.640  -6.533  -6.533
  326   1HD   PRO  46          2HD       PRO  46   1.874  -5.873  -5.873
  327   2HD   PRO  46          1HD       PRO  46   3.061  -6.843  -6.843
  328    H    VAL  47           H        VAL  47   3.641  -1.725  -1.725
  329    HA   VAL  47           HA       VAL  47   2.813   0.126   0.126
  330    HB   VAL  47           HB       VAL  47   2.964   0.114   0.114
  331   1HG1  VAL  47          3HG1      VAL  47   2.097   2.382   2.382
  332   2HG1  VAL  47          2HG1      VAL  47   2.590   2.596   2.596
  333   3HG1  VAL  47          1HG1      VAL  47   1.154   1.647   1.647
  334   1HG2  VAL  47          3HG2      VAL  47   4.725   0.696   0.696
  335   2HG2  VAL  47          2HG2      VAL  47   5.111   0.586   0.586
  336   3HG2  VAL  47          1HG2      VAL  47   4.555   2.115   2.115
  337    H    ASP  48           H        ASP  48   0.979  -2.183  -2.183
  338    HA   ASP  48           HA       ASP  48  -1.514  -0.720  -0.720
  339   1HB   ASP  48          2HB       ASP  48  -0.442  -3.429  -3.429
  340   2HB   ASP  48          1HB       ASP  48  -2.120  -3.389  -3.389
  341    H    ILE  49           H        ILE  49   0.008  -2.872  -2.872
  342    HA   ILE  49           HA       ILE  49  -2.209  -2.981  -2.981
  343    HB   ILE  49           HB       ILE  49   0.750  -3.160  -3.160
  344   1HG1  ILE  49          2HG1      ILE  49   0.427  -4.578  -4.578
  345   2HG1  ILE  49          1HG1      ILE  49   0.447  -5.627  -5.627
  346   1HG2  ILE  49          3HG2      ILE  49  -1.719  -3.682  -3.682
  347   2HG2  ILE  49          2HG2      ILE  49  -0.737  -5.143  -5.143
  348   3HG2  ILE  49          1HG2      ILE  49  -0.063  -3.675  -3.675
  349   1HD1  ILE  49          3HD1      ILE  49  -2.032  -5.598  -5.598
  350   2HD1  ILE  49          2HD1      ILE  49  -2.028  -4.607  -4.607
  351   3HD1  ILE  49          1HD1      ILE  49  -1.403  -6.256  -6.256
  352    H    LEU  50           H        LEU  50   0.746  -1.056  -1.056
  353    HA   LEU  50           HA       LEU  50   0.245   0.647   0.647
  354   1HB   LEU  50          2HB       LEU  50   1.760   1.353   1.353
  355   2HB   LEU  50          1HB       LEU  50   2.108   1.870   1.870
  356    HG   LEU  50           HG       LEU  50   2.578  -0.819  -0.819
  357   1HD1  LEU  50          2HD1      LEU  50   4.170   1.259   1.259
  358   2HD1  LEU  50          1HD1      LEU  50   4.729  -0.414  -0.414
  359   3HD1  LEU  50          3HD1      LEU  50   4.521   0.474   0.474
  360   1HD2  LEU  50          1HD2      LEU  50   1.766  -0.252  -0.252
  361   2HD2  LEU  50          3HD2      LEU  50   1.734  -1.773  -1.773
  362   3HD2  LEU  50          2HD2      LEU  50   3.235  -1.216  -1.216
  363    H    GLY  51           H        GLY  51  -1.054   0.534   0.534
  364   1HA   GLY  51          2HA       GLY  51  -1.982   3.336   3.336
  365   2HA   GLY  51          1HA       GLY  51  -2.288   2.178   2.178
  366    H    ARG  52           H        ARG  52  -3.185   0.075   0.075
  367    HA   ARG  52           HA       ARG  52  -5.954   1.016   1.016
  368   1HB   ARG  52          2HB       ARG  52  -4.734  -1.294  -1.294
  369   2HB   ARG  52          1HB       ARG  52  -5.230  -1.732  -1.732
  370   1HG   ARG  52          2HG       ARG  52  -7.493  -0.564  -0.564
  371   2HG   ARG  52          1HG       ARG  52  -6.919  -0.947  -0.947
  372   1HD   ARG  52          2HD       ARG  52  -6.608  -3.182  -3.182
  373   2HD   ARG  52          1HD       ARG  52  -8.298  -2.706  -2.706
  374    HE   ARG  52           HE       ARG  52  -8.064  -3.248  -3.248
  375   1HH1  ARG  52          1HH2      ARG  52  -6.076  -5.210  -5.210
  376   2HH1  ARG  52          2HH2      ARG  52  -4.780  -5.209  -5.209
  377   1HH2  ARG  52          2HH1      ARG  52  -5.972  -2.456  -2.456
  378   2HH2  ARG  52          1HH1      ARG  52  -4.721  -3.649  -3.649
  379    H    VAL  53           H        VAL  53  -3.500  -0.771  -0.771
  380    HA   VAL  53           HA       VAL  53  -4.769  -0.733  -0.733
  381    HB   VAL  53           HB       VAL  53  -1.878  -0.466  -0.466
  382   1HG1  VAL  53          1HG1      VAL  53  -3.054  -0.062  -0.062
  383   2HG1  VAL  53          3HG1      VAL  53  -1.900  -1.395  -1.395
  384   3HG1  VAL  53          2HG1      VAL  53  -1.399   0.212   0.212
  385   1HG2  VAL  53          1HG2      VAL  53  -3.435  -2.572  -2.572
  386   2HG2  VAL  53          3HG2      VAL  53  -1.793  -2.781  -2.781
  387   3HG2  VAL  53          2HG2      VAL  53  -3.156  -2.770  -2.770
  388    H    TRP  54           H        TRP  54  -2.803   1.825   1.825
  389    HA   TRP  54           HA       TRP  54  -2.853   3.696   3.696
  390   1HB   TRP  54          2HB       TRP  54  -1.417   3.972   3.972
  391   2HB   TRP  54          1HB       TRP  54  -2.811   4.025   4.025
  392    HD1  TRP  54           HD1      TRP  54  -4.515   6.141   6.141
  393    HE1  TRP  54           HE1      TRP  54  -4.002   8.561   8.561
  394    HE3  TRP  54           HE3      TRP  54   0.103   5.487   5.487
  395    HZ2  TRP  54           HZ2      TRP  54  -1.906  10.032  10.032
  396    HZ3  TRP  54           HZ3      TRP  54   1.334   7.412   7.412
  397    HH2  TRP  54           HH2      TRP  54   0.337   9.682   9.682
  398    H    GLU  55           H        GLU  55  -4.956   3.659   3.659
  399    HA   GLU  55           HA       GLU  55  -6.789   5.625   5.625
  400   1HB   GLU  55          2HB       GLU  55  -7.085   2.913   2.913
  401   2HB   GLU  55          1HB       GLU  55  -8.445   4.031   4.031
  402   1HG   GLU  55          2HG       GLU  55  -6.098   5.433   5.433
  403   2HG   GLU  55          1HG       GLU  55  -6.398   4.023   4.023
  404    H    LEU  56           H        LEU  56  -6.975   2.210   2.210
  405    HA   LEU  56           HA       LEU  56  -9.240   2.663   2.663
  406   1HB   LEU  56          2HB       LEU  56  -7.228   0.393   0.393
  407   2HB   LEU  56          1HB       LEU  56  -8.847   0.320   0.320
  408    HG   LEU  56           HG       LEU  56  -8.790   1.288   1.288
  409   1HD1  LEU  56          1HD1      LEU  56  -6.926  -0.426  -0.426
  410   2HD1  LEU  56          3HD1      LEU  56  -8.128  -1.616  -1.616
  411   3HD1  LEU  56          2HD1      LEU  56  -8.259  -0.833  -0.833
  412   1HD2  LEU  56          1HD2      LEU  56 -10.565   0.059   0.059
  413   2HD2  LEU  56          3HD2      LEU  56 -10.910   0.506   0.506
  414   3HD2  LEU  56          2HD2      LEU  56 -10.321  -1.114  -1.114
  415    H    SER  57           H        SER  57  -5.858   3.178   3.178
  416    HA   SER  57           HA       SER  57  -5.754   2.998   2.998
  417   1HB   SER  57          2HB       SER  57  -3.771   2.185   2.185
  418   2HB   SER  57          1HB       SER  57  -3.877   3.169   3.169
  419    HG   SER  57           HG       SER  57  -2.462   4.354   4.354
  420    H    ASP  58           H        ASP  58  -5.931   5.366   5.366
  421    HA   ASP  58           HA       ASP  58  -5.180   7.624   7.624
  422   1HB   ASP  58          2HB       ASP  58  -5.033   7.060   7.060
  423   2HB   ASP  58          1HB       ASP  58  -6.478   8.071   8.071
  424    H    ILE  59           H        ILE  59  -6.995   7.114   7.114
  425    HA   ILE  59           HA       ILE  59  -9.714   7.111   7.111
  426    HB   ILE  59           HB       ILE  59  -8.122   8.646   8.646
  427   1HG1  ILE  59          2HG1      ILE  59  -7.625   6.216   6.216
  428   2HG1  ILE  59          1HG1      ILE  59  -8.457   6.630   6.630
  429   1HG2  ILE  59          3HG2      ILE  59 -11.025   7.791   7.791
  430   2HG2  ILE  59          2HG2      ILE  59 -10.205   8.353   8.353
  431   3HG2  ILE  59          1HG2      ILE  59 -10.405   9.438   9.438
  432   1HD1  ILE  59          3HD1      ILE  59 -10.451   6.088   6.088
  433   2HD1  ILE  59          2HD1      ILE  59  -9.271   4.779   4.779
  434   3HD1  ILE  59          1HD1      ILE  59 -10.079   5.163   5.163
  435    H    ASP  60           H        ASP  60  -7.544   9.913   9.913
  436    HA   ASP  60           HA       ASP  60  -9.841  11.711  11.711
  437   1HB   ASP  60          2HB       ASP  60  -6.907  12.418  12.418
  438   2HB   ASP  60          1HB       ASP  60  -8.291  13.449  13.449
  439    H    HIS  61           H        HIS  61  -7.102  10.165  10.165
  440    HA   HIS  61           HA       HIS  61  -6.556  10.022  10.022
  441   1HB   HIS  61          2HB       HIS  61  -9.245  11.333  11.333
  442   2HB   HIS  61          1HB       HIS  61  -8.423  10.158  10.158
  443    HD1  HIS  61           HD1      HIS  61  -8.647   7.672   7.672
  444    HD2  HIS  61           HD2      HIS  61 -10.485  10.207  10.207
  445    HE1  HIS  61           HE1      HIS  61 -10.035   6.194   6.194
  446    H    ASP  62           H        ASP  62  -5.808  12.382  12.382
  447    HA   ASP  62           HA       ASP  62  -6.182  14.645  14.645
  448   1HB   ASP  62          2HB       ASP  62  -5.511  15.976  15.976
  449   2HB   ASP  62          1HB       ASP  62  -6.481  14.683  14.683
  450    H    GLY  63           H        GLY  63  -3.881  12.210  12.210
  451   1HA   GLY  63          2HA       GLY  63  -2.040  12.093  12.093
  452   2HA   GLY  63          1HA       GLY  63  -1.731  13.781  13.781
  453    H    MET  64           H        MET  64  -2.630  12.225  12.225
  454    HA   MET  64           HA       MET  64   0.075  11.200  11.200
  455   1HB   MET  64          2HB       MET  64  -0.994  13.077  13.077
  456   2HB   MET  64          1HB       MET  64   0.663  12.844  12.844
  457   1HG   MET  64          2HG       MET  64  -0.012  14.021  14.021
  458   2HG   MET  64          1HG       MET  64  -1.515  14.449  14.449
  459   1HE   MET  64          1HE       MET  64   2.021  13.945  13.945
  460   2HE   MET  64          3HE       MET  64   2.628  15.585  15.585
  461   3HE   MET  64          2HE       MET  64   2.490  14.947  14.947
  462    H    LEU  65           H        LEU  65   0.107  10.077  10.077
  463    HA   LEU  65           HA       LEU  65  -2.623   9.072   9.072
  464   1HB   LEU  65          2HB       LEU  65   0.158   7.854   7.854
  465   2HB   LEU  65          1HB       LEU  65  -1.234   7.080   7.080
  466    HG   LEU  65           HG       LEU  65  -1.313   7.974   7.974
  467   1HD1  LEU  65          1HD1      LEU  65  -0.061   5.530   5.530
  468   2HD1  LEU  65          3HD1      LEU  65  -0.876   5.393   5.393
  469   3HD1  LEU  65          2HD1      LEU  65   0.485   6.498   6.498
  470   1HD2  LEU  65          3HD2      LEU  65  -2.793   5.868   5.868
  471   2HD2  LEU  65          2HD2      LEU  65  -3.442   7.428   7.428
  472   3HD2  LEU  65          1HD2      LEU  65  -3.050   6.203   6.203
  473    H    ASP  66           H        ASP  66  -3.244   9.891   9.891
  474    HA   ASP  66           HA       ASP  66  -1.431  11.213  11.213
  475   1HB   ASP  66          2HB       ASP  66  -4.139  10.068  10.068
  476   2HB   ASP  66          1HB       ASP  66  -3.403  11.565  11.565
  477    H    ARG  67           H        ARG  67  -0.787  10.459  10.459
  478    HA   ARG  67           HA       ARG  67   0.428   8.060   8.060
  479   1HB   ARG  67          2HB       ARG  67  -0.137   8.334   8.334
  480   2HB   ARG  67          1HB       ARG  67   0.376   9.838   9.838
  481   1HG   ARG  67          2HG       ARG  67  -2.091  10.310  10.310
  482   2HG   ARG  67          1HG       ARG  67  -2.443   8.963   8.963
  483   1HD   ARG  67          2HD       ARG  67  -2.469  10.798  10.798
  484   2HD   ARG  67          1HD       ARG  67  -0.794  10.230  10.230
  485    HE   ARG  67           HE       ARG  67  -0.106  12.003  12.003
  486   1HH1  ARG  67          1HH2      ARG  67  -3.221  12.000  12.000
  487   2HH1  ARG  67          2HH2      ARG  67  -3.574  13.653  13.653
  488   1HH2  ARG  67          2HH1      ARG  67  -0.625  14.160  14.160
  489   2HH2  ARG  67          1HH1      ARG  67  -2.104  14.877  14.877
  490    H    ASP  68           H        ASP  68  -3.053   8.540   8.540
  491    HA   ASP  68           HA       ASP  68  -3.486   5.695   5.695
  492   1HB   ASP  68          2HB       ASP  68  -4.968   8.254   8.254
  493   2HB   ASP  68          1HB       ASP  68  -5.945   6.846   6.846
  494    H    GLU  69           H        GLU  69  -3.897   7.900   7.900
  495    HA   GLU  69           HA       GLU  69  -5.390   6.140   6.140
  496   1HB   GLU  69          2HB       GLU  69  -4.552   8.754   8.754
  497   2HB   GLU  69          1HB       GLU  69  -3.493   8.061   8.061
  498   1HG   GLU  69          2HG       GLU  69  -5.418   7.166   7.166
  499   2HG   GLU  69          1HG       GLU  69  -6.505   7.791   7.791
  500    H    PHE  70           H        PHE  70  -1.914   6.977   6.977
  501    HA   PHE  70           HA       PHE  70  -0.965   5.230   5.230
  502   1HB   PHE  70          2HB       PHE  70   0.328   6.968   6.968
  503   2HB   PHE  70          1HB       PHE  70   0.272   5.960   5.960
  504    HD1  PHE  70           HD1      PHE  70   1.430   6.023   6.023
  505    HD2  PHE  70           HD2      PHE  70   1.826   4.206   4.206
  506    HE1  PHE  70           HE1      PHE  70   3.424   4.779   4.779
  507    HE2  PHE  70           HE2      PHE  70   3.821   2.961   2.961
  508    HZ   PHE  70           HZ       PHE  70   4.618   3.249   3.249
  509    H    ALA  71           H        ALA  71  -2.145   4.605   4.605
  510    HA   ALA  71           HA       ALA  71  -1.036   2.004   2.004
  511   1HB   ALA  71          1HB       ALA  71  -2.312   3.611   3.611
  512   2HB   ALA  71          3HB       ALA  71  -3.783   2.964   2.964
  513   3HB   ALA  71          2HB       ALA  71  -2.695   1.897   1.897
  514    H    VAL  72           H        VAL  72  -4.080   3.040   3.040
  515    HA   VAL  72           HA       VAL  72  -5.153   0.465   0.465
  516    HB   VAL  72           HB       VAL  72  -5.365   3.096   3.096
  517   1HG1  VAL  72          3HG1      VAL  72  -6.262   0.775   0.775
  518   2HG1  VAL  72          2HG1      VAL  72  -7.582   1.098   1.098
  519   3HG1  VAL  72          1HG1      VAL  72  -7.210   2.257   2.257
  520   1HG2  VAL  72          1HG2      VAL  72  -5.891   3.197   3.197
  521   2HG2  VAL  72          3HG2      VAL  72  -7.290   3.534   3.534
  522   3HG2  VAL  72          2HG2      VAL  72  -7.117   1.956   1.956
  523    H    ALA  73           H        ALA  73  -2.621   2.318   2.318
  524    HA   ALA  73           HA       ALA  73  -2.661   0.667   0.667
  525   1HB   ALA  73          3HB       ALA  73  -1.693   3.198   3.198
  526   2HB   ALA  73          2HB       ALA  73  -0.324   2.281   2.281
  527   3HB   ALA  73          1HB       ALA  73  -1.746   2.572   2.572
  528    H    MET  74           H        MET  74  -1.191   0.366   0.366
  529    HA   MET  74           HA       MET  74   1.177  -1.047  -1.047
  530   1HB   MET  74          2HB       MET  74   0.219  -1.015  -1.015
  531   2HB   MET  74          1HB       MET  74   1.873  -1.101  -1.101
  532   1HG   MET  74          2HG       MET  74   0.048   1.272   1.272
  533   2HG   MET  74          1HG       MET  74   1.724   1.120   1.120
  534   1HE   MET  74          3HE       MET  74   3.038  -0.229  -0.229
  535   2HE   MET  74          2HE       MET  74   2.728  -0.099  -0.099
  536   3HE   MET  74          1HE       MET  74   3.840   1.026   1.026
  537    H    PHE  75           H        PHE  75  -1.900  -1.898  -1.898
  538    HA   PHE  75           HA       PHE  75  -1.217  -4.744  -4.744
  539   1HB   PHE  75          2HB       PHE  75  -3.256  -4.944  -4.944
  540   2HB   PHE  75          1HB       PHE  75  -2.854  -3.264  -3.264
  541    HD1  PHE  75           HD1      PHE  75  -4.970  -5.524  -5.524
  542    HD2  PHE  75           HD2      PHE  75  -4.055  -1.436  -1.436
  543    HE1  PHE  75           HE1      PHE  75  -7.058  -4.803  -4.803
  544    HE2  PHE  75           HE2      PHE  75  -6.136  -0.712  -0.712
  545    HZ   PHE  75           HZ       PHE  75  -7.644  -2.398  -2.398
  546    H    LEU  76           H        LEU  76  -2.626  -2.484  -2.484
  547    HA   LEU  76           HA       LEU  76  -3.952  -4.439  -4.439
  548   1HB   LEU  76          2HB       LEU  76  -3.358  -1.543  -1.543
  549   2HB   LEU  76          1HB       LEU  76  -3.483  -2.213  -2.213
  550    HG   LEU  76           HG       LEU  76  -5.561  -2.521  -2.521
  551   1HD1  LEU  76          3HD1      LEU  76  -5.229  -0.225  -0.225
  552   2HD1  LEU  76          2HD1      LEU  76  -5.863  -1.017  -1.017
  553   3HD1  LEU  76          1HD1      LEU  76  -6.855  -0.909  -0.909
  554   1HD2  LEU  76          2HD2      LEU  76  -5.043  -4.042  -4.042
  555   2HD2  LEU  76          1HD2      LEU  76  -6.423  -4.174  -4.174
  556   3HD2  LEU  76          3HD2      LEU  76  -6.496  -3.088  -3.088
  557    H    VAL  77           H        VAL  77  -0.749  -3.063  -3.063
  558    HA   VAL  77           HA       VAL  77   0.176  -4.205  -4.205
  559    HB   VAL  77           HB       VAL  77   1.380  -2.535  -2.535
  560   1HG1  VAL  77          3HG1      VAL  77   2.696  -3.745  -3.745
  561   2HG1  VAL  77          2HG1      VAL  77   3.353  -2.331  -2.331
  562   3HG1  VAL  77          1HG1      VAL  77   3.220  -3.869  -3.869
  563   1HG2  VAL  77          3HG2      VAL  77   0.253  -2.073  -2.073
  564   2HG2  VAL  77          2HG2      VAL  77   0.223  -1.030  -1.030
  565   3HG2  VAL  77          1HG2      VAL  77   1.678  -1.126  -1.126
  566    H    TYR  78           H        TYR  78   0.234  -4.920  -4.920
  567    HA   TYR  78           HA       TYR  78   2.359  -6.938  -6.938
  568   1HB   TYR  78          2HB       TYR  78   0.782  -5.576  -5.576
  569   2HB   TYR  78          1HB       TYR  78   1.082  -7.278  -7.278
  570    HD1  TYR  78           HD2      TYR  78   3.662  -7.837  -7.837
  571    HD2  TYR  78           HD1      TYR  78   2.317  -4.290  -4.290
  572    HE1  TYR  78           HE2      TYR  78   6.004  -7.296  -7.296
  573    HE2  TYR  78           HE1      TYR  78   4.658  -3.749  -3.749
  574    HH   TYR  78           HH       TYR  78   6.804  -4.286  -4.286
  575    H    CYS  79           H        CYS  79  -1.135  -6.805  -6.805
  576    HA   CYS  79           HA       CYS  79  -1.458  -9.723  -9.723
  577   1HB   CYS  79          2HB       CYS  79  -3.256  -7.353  -7.353
  578   2HB   CYS  79          1HB       CYS  79  -3.868  -9.007  -9.007
  579    HG   CYS  79           HG       CYS  79  -2.640  -7.633  -7.633
  580    H    ALA  80           H        ALA  80  -0.757  -7.499  -7.499
  581    HA   ALA  80           HA       ALA  80  -1.971  -9.026  -9.026
  582   1HB   ALA  80          1HB       ALA  80   0.073  -6.789  -6.789
  583   2HB   ALA  80          3HB       ALA  80  -0.648  -7.369  -7.369
  584   3HB   ALA  80          2HB       ALA  80  -1.658  -6.604  -6.604
  585    H    LEU  81           H        LEU  81   0.878  -9.196  -9.196
  586    HA   LEU  81           HA       LEU  81   2.443 -10.607 -10.607
  587   1HB   LEU  81          2HB       LEU  81   2.938  -9.820  -9.820
  588   2HB   LEU  81          1HB       LEU  81   4.144 -10.586 -10.586
  589    HG   LEU  81           HG       LEU  81   2.848  -8.266  -8.266
  590   1HD1  LEU  81          3HD1      LEU  81   2.936  -7.628  -7.628
  591   2HD1  LEU  81          2HD1      LEU  81   4.689  -7.783  -7.783
  592   3HD1  LEU  81          1HD1      LEU  81   3.856  -6.574  -6.574
  593   1HD2  LEU  81          3HD2      LEU  81   5.236  -9.746  -9.746
  594   2HD2  LEU  81          2HD2      LEU  81   4.815  -8.313  -8.313
  595   3HD2  LEU  81          1HD2      LEU  81   5.718  -8.147  -8.147
  596    H    GLU  82           H        GLU  82   1.132 -11.302 -11.302
  597    HA   GLU  82           HA       GLU  82   1.475 -14.207 -14.207
  598   1HB   GLU  82          2HB       GLU  82   2.832 -13.861 -13.861
  599   2HB   GLU  82          1HB       GLU  82   1.912 -12.462 -12.462
  600   1HG   GLU  82          2HG       GLU  82   0.243 -13.828 -13.828
  601   2HG   GLU  82          1HG       GLU  82   0.824 -15.278 -15.278
  602    H    LYS  83           H        LYS  83  -0.864 -11.772 -11.772
  603    HA   LYS  83           HA       LYS  83  -2.812 -13.830 -13.830
  604   1HB   LYS  83          2HB       LYS  83  -2.626 -11.684 -11.684
  605   2HB   LYS  83          1HB       LYS  83  -3.015 -10.819 -10.819
  606   1HG   LYS  83          2HG       LYS  83  -5.166 -10.950 -10.950
  607   2HG   LYS  83          1HG       LYS  83  -5.084 -12.620 -12.620
  608   1HD   LYS  83          2HD       LYS  83  -4.216 -11.833 -11.833
  609   2HD   LYS  83          1HD       LYS  83  -5.882 -12.279 -12.279
  610   1HE   LYS  83          2HE       LYS  83  -4.318 -14.283 -14.283
  611   2HE   LYS  83          1HE       LYS  83  -3.593 -14.018 -14.018
  612   1HZ   LYS  83          2HZ       LYS  83  -6.015 -13.927 -13.927
  613   2HZ   LYS  83          1HZ       LYS  83  -6.386 -14.708 -14.708
  614   3HZ   LYS  83          3HZ       LYS  83  -5.349 -15.452 -15.452
  615    H    GLU  84           H        GLU  84  -3.780 -11.080 -11.080
  616    HA   GLU  84           HA       GLU  84  -4.347 -12.846 -12.846
  617   1HB   GLU  84          2HB       GLU  84  -6.214 -12.097 -12.097
  618   2HB   GLU  84          1HB       GLU  84  -6.719 -11.380 -11.380
  619   1HG   GLU  84          2HG       GLU  84  -7.551 -13.388 -13.388
  620   2HG   GLU  84          1HG       GLU  84  -5.896 -13.994 -13.994
  621    HA   PRO  85           HA       PRO  85  -3.868  -9.228  -9.228
  622   1HB   PRO  85          2HB       PRO  85  -6.095  -9.114  -9.114
  623   2HB   PRO  85          1HB       PRO  85  -4.787 -10.293 -10.293
  624   1HG   PRO  85          2HG       PRO  85  -7.424 -10.639 -10.639
  625   2HG   PRO  85          1HG       PRO  85  -6.574 -11.731 -11.731
  626   1HD   PRO  85          2HD       PRO  85  -6.567 -12.110 -12.110
  627   2HD   PRO  85          1HD       PRO  85  -5.171 -12.531 -12.531
  628    H    VAL  86           H        VAL  86  -5.180  -7.108  -7.108
  629    HA   VAL  86           HA       VAL  86  -6.792  -6.206  -6.206
  630    HB   VAL  86           HB       VAL  86  -4.681  -4.851  -4.851
  631   1HG1  VAL  86          1HG1      VAL  86  -6.891  -3.725  -3.725
  632   2HG1  VAL  86          3HG1      VAL  86  -5.300  -3.073  -3.073
  633   3HG1  VAL  86          2HG1      VAL  86  -5.912  -2.969  -2.969
  634   1HG2  VAL  86          3HG2      VAL  86  -4.917  -5.752  -5.752
  635   2HG2  VAL  86          2HG2      VAL  86  -3.631  -6.092  -6.092
  636   3HG2  VAL  86          1HG2      VAL  86  -3.781  -4.482  -4.482
  637    HA   PRO  87           HA       PRO  87  -9.661  -5.259  -5.259
  638   1HB   PRO  87          2HB       PRO  87 -11.809  -4.824  -4.824
  639   2HB   PRO  87          1HB       PRO  87 -11.242  -6.451  -6.451
  640   1HG   PRO  87          2HG       PRO  87 -10.956  -4.951  -4.951
  641   2HG   PRO  87          1HG       PRO  87 -11.006  -6.696  -6.696
  642   1HD   PRO  87          2HD       PRO  87  -8.715  -5.130  -5.130
  643   2HD   PRO  87          1HD       PRO  87  -8.751  -6.823  -6.823
  644    H    MET  88           H        MET  88 -10.871  -3.247  -3.247
  645    HA   MET  88           HA       MET  88  -9.573  -0.832  -0.832
  646   1HB   MET  88          2HB       MET  88 -11.711  -1.375  -1.375
  647   2HB   MET  88          1HB       MET  88 -11.084   0.233   0.233
  648   1HG   MET  88          2HG       MET  88  -8.874  -0.377  -0.377
  649   2HG   MET  88          1HG       MET  88  -9.302  -2.086  -2.086
  650   1HE   MET  88          1HE       MET  88  -9.835   1.330   1.330
  651   2HE   MET  88          3HE       MET  88  -8.919   1.071   1.071
  652   3HE   MET  88          2HE       MET  88 -10.653   1.380   1.380
  653    H    SER  89           H        SER  89 -11.892  -2.628  -2.628
  654    HA   SER  89           HA       SER  89 -13.756  -0.383  -0.383
  655   1HB   SER  89          2HB       SER  89 -13.778  -3.370  -3.370
  656   2HB   SER  89          1HB       SER  89 -14.933  -2.389  -2.389
  657    HG   SER  89           HG       SER  89 -14.942  -3.093  -3.093
  658    H    LEU  90           H        LEU  90 -13.161   0.877   0.877
  659    HA   LEU  90           HA       LEU  90 -11.774  -0.326  -0.326
  660   1HB   LEU  90          2HB       LEU  90 -10.529   1.516   1.516
  661   2HB   LEU  90          1HB       LEU  90 -11.863   2.257   2.257
  662    HG   LEU  90           HG       LEU  90 -12.803   3.139   3.139
  663   1HD1  LEU  90          3HD1      LEU  90 -11.704   0.895   0.895
  664   2HD1  LEU  90          2HD1      LEU  90 -10.752   2.223   2.223
  665   3HD1  LEU  90          1HD1      LEU  90 -12.508   2.224   2.224
  666   1HD2  LEU  90          3HD2      LEU  90 -10.547   4.076   4.076
  667   2HD2  LEU  90          2HD2      LEU  90 -11.172   4.712   4.712
  668   3HD2  LEU  90          1HD2      LEU  90  -9.878   3.512   3.512
  669    HA   PRO  91           HA       PRO  91 -16.197  -0.131  -0.131
  670   1HB   PRO  91          2HB       PRO  91 -15.916  -2.139  -2.139
  671   2HB   PRO  91          1HB       PRO  91 -16.241  -2.432  -2.432
  672   1HG   PRO  91          2HG       PRO  91 -13.624  -2.470  -2.470
  673   2HG   PRO  91          1HG       PRO  91 -14.276  -3.636  -3.636
  674   1HD   PRO  91          2HD       PRO  91 -12.489  -1.823  -1.823
  675   2HD   PRO  91          1HD       PRO  91 -13.868  -2.246  -2.246
  676    HA   PRO  92           HA       PRO  92 -15.851   2.189   2.189
  677   1HB   PRO  92          2HB       PRO  92 -17.824   1.187   1.187
  678   2HB   PRO  92          1HB       PRO  92 -18.156   2.180   2.180
  679   1HG   PRO  92          2HG       PRO  92 -18.272  -0.781  -0.781
  680   2HG   PRO  92          1HG       PRO  92 -19.374   0.304   0.304
  681   1HD   PRO  92          2HD       PRO  92 -17.505  -1.186  -1.186
  682   2HD   PRO  92          1HD       PRO  92 -18.029   0.404   0.404
  683    H    ALA  93           H        ALA  93 -15.302  -1.168  -1.168
  684    HA   ALA  93           HA       ALA  93 -14.666  -1.399  -1.399
  685   1HB   ALA  93          2HB       ALA  93 -15.127  -3.080  -3.080
  686   2HB   ALA  93          1HB       ALA  93 -13.408  -3.291  -3.291
  687   3HB   ALA  93          3HB       ALA  93 -14.594  -3.597  -3.597
  688    H    LEU  94           H        LEU  94 -13.239   0.302   0.302
  689    HA   LEU  94           HA       LEU  94 -10.467  -0.220  -0.220
  690   1HB   LEU  94          2HB       LEU  94 -11.794   0.532   0.532
  691   2HB   LEU  94          1HB       LEU  94 -10.282   1.381   1.381
  692    HG   LEU  94           HG       LEU  94  -9.805  -0.673  -0.673
  693   1HD1  LEU  94          2HD1      LEU  94  -8.814  -0.064  -0.064
  694   2HD1  LEU  94          1HD1      LEU  94  -8.769  -1.807  -1.807
  695   3HD1  LEU  94          3HD1      LEU  94  -7.945  -0.719  -0.719
  696   1HD2  LEU  94          2HD2      LEU  94 -11.965  -1.685  -1.685
  697   2HD2  LEU  94          1HD2      LEU  94 -10.887  -2.624  -2.624
  698   3HD2  LEU  94          3HD2      LEU  94 -10.581  -2.523  -2.523
  699    H    VAL  95           H        VAL  95 -13.048   2.026   2.026
  700    HA   VAL  95           HA       VAL  95 -11.384   4.414   4.414
  701    HB   VAL  95           HB       VAL  95 -13.598   5.449   5.449
  702   1HG1  VAL  95          3HG1      VAL  95 -12.855   3.803   3.803
  703   2HG1  VAL  95          2HG1      VAL  95 -14.601   4.019   4.019
  704   3HG1  VAL  95          1HG1      VAL  95 -13.542   5.427   5.427
  705   1HG2  VAL  95          2HG2      VAL  95 -14.261   2.730   2.730
  706   2HG2  VAL  95          1HG2      VAL  95 -15.208   4.198   4.198
  707   3HG2  VAL  95          3HG2      VAL  95 -15.344   3.296   3.296
  708    HA   PRO  96           HA       PRO  96 -10.869   3.526   3.526
  709   1HB   PRO  96          2HB       PRO  96  -9.590   5.871   5.871
  710   2HB   PRO  96          1HB       PRO  96  -8.779   4.509   4.509
  711   1HG   PRO  96          2HG       PRO  96  -9.864   7.020   7.020
  712   2HG   PRO  96          1HG       PRO  96  -8.380   6.138   6.138
  713   1HD   PRO  96          2HD       PRO  96 -10.642   5.997   5.997
  714   2HD   PRO  96          1HD       PRO  96  -9.462   4.672   4.672
  715    HA   PRO  97           HA       PRO  97 -14.064   5.810   5.810
  716   1HB   PRO  97          2HB       PRO  97 -13.049   6.483   6.483
  717   2HB   PRO  97          1HB       PRO  97 -13.514   4.825   4.825
  718   1HG   PRO  97          2HG       PRO  97 -10.811   6.071   6.071
  719   2HG   PRO  97          1HG       PRO  97 -11.319   4.442   4.442
  720   1HD   PRO  97          2HD       PRO  97 -10.059   5.000   5.000
  721   2HD   PRO  97          1HD       PRO  97 -11.179   3.637   3.637
  722    H    SER  98           H        SER  98 -11.023   7.379   7.379
  723    HA   SER  98           HA       SER  98 -12.007  10.033  10.033
  724   1HB   SER  98          2HB       SER  98  -9.649   9.299   9.299
  725   2HB   SER  98          1HB       SER  98  -9.493   9.121   9.121
  726    HG   SER  98           HG       SER  98 -10.096  11.506  11.506
  727    H    LYS  99           H        LYS  99 -11.416   8.208   8.208
  728    HA   LYS  99           HA       LYS  99 -12.256  10.497  10.497
  729   1HB   LYS  99          2HB       LYS  99 -11.198   7.702   7.702
  730   2HB   LYS  99          1HB       LYS  99 -11.875   8.612   8.612
  731   1HG   LYS  99          2HG       LYS  99  -9.998   9.839   9.839
  732   2HG   LYS  99          1HG       LYS  99 -10.074  10.289  10.289
  733   1HD   LYS  99          2HD       LYS  99  -8.708   8.541   8.541
  734   2HD   LYS  99          1HD       LYS  99  -9.164   7.526   7.526
  735   1HE   LYS  99          2HE       LYS  99  -6.986   8.176   8.176
  736   2HE   LYS  99          1HE       LYS  99  -7.955   9.423   9.423
  737   1HZ   LYS  99          2HZ       LYS  99  -7.273   9.838   9.838
  738   2HZ   LYS  99          1HZ       LYS  99  -6.031  10.052  10.052
  739   3HZ   LYS  99          3HZ       LYS  99  -7.449  10.976  10.976
  740    H    ARG 100           H        ARG 100 -13.903   8.504   8.504
  741    HA   ARG 100           HA       ARG 100 -15.992   7.668   7.668
  742   1HB   ARG 100          2HB       ARG 100 -15.690   5.963   5.963
  743   2HB   ARG 100          1HB       ARG 100 -15.108   7.052   7.052
  744   1HG   ARG 100          2HG       ARG 100 -17.395   7.804   7.804
  745   2HG   ARG 100          1HG       ARG 100 -18.003   6.768   6.768
  746   1HD   ARG 100          2HD       ARG 100 -16.672   5.879   5.879
  747   2HD   ARG 100          1HD       ARG 100 -18.340   5.560   5.560
  748    HE   ARG 100           HE       ARG 100 -15.934   4.462   4.462
  749   1HH1  ARG 100          1HH2      ARG 100 -19.229   4.775   4.775
  750   2HH1  ARG 100          2HH2      ARG 100 -19.563   3.083   3.083
  751   1HH2  ARG 100          2HH1      ARG 100 -16.361   2.102   2.102
  752   2HH2  ARG 100          1HH1      ARG 100 -17.940   1.569   1.569

  Start of MODEL    7
    1    HA   PRO   6           HA       PRO   6 -14.265  -2.972  -2.972
    2   1HB   PRO   6          2HB       PRO   6 -11.642  -3.057  -3.057
    3   2HB   PRO   6          1HB       PRO   6 -12.973  -3.508  -3.508
    4   1HG   PRO   6          2HG       PRO   6 -11.113  -5.242  -5.242
    5   2HG   PRO   6          1HG       PRO   6 -11.804  -5.474  -5.474
    6   1HD   PRO   6          2HD       PRO   6 -12.709  -6.739  -6.739
    7   2HD   PRO   6          1HD       PRO   6 -13.700  -6.444  -6.444
    8    H    TRP   7           H        TRP   7 -11.913  -1.631  -1.631
    9    HA   TRP   7           HA       TRP   7 -11.963  -1.183  -1.183
   10   1HB   TRP   7          2HB       TRP   7 -11.062   0.352   0.352
   11   2HB   TRP   7          1HB       TRP   7  -9.737  -0.769  -0.769
   12    HD1  TRP   7           HD1      TRP   7 -10.836  -0.394  -0.394
   13    HE1  TRP   7           HE1      TRP   7  -9.037   0.886   0.886
   14    HE3  TRP   7           HE3      TRP   7  -7.847   1.156   1.156
   15    HZ2  TRP   7           HZ2      TRP   7  -6.642   2.373   2.373
   16    HZ3  TRP   7           HZ3      TRP   7  -5.816   2.502   2.502
   17    HH2  TRP   7           HH2      TRP   7  -5.210   3.111   3.111
   18    H    ALA   8           H        ALA   8 -11.034  -2.269  -2.269
   19    HA   ALA   8           HA       ALA   8 -10.019  -4.845  -4.845
   20   1HB   ALA   8          3HB       ALA   8  -9.459  -2.484  -2.484
   21   2HB   ALA   8          2HB       ALA   8  -8.866  -4.101  -4.101
   22   3HB   ALA   8          1HB       ALA   8 -10.602  -3.798  -3.798
   23    H    VAL   9           H        VAL   9  -8.361  -1.867  -1.867
   24    HA   VAL   9           HA       VAL   9  -5.785  -3.372  -3.372
   25    HB   VAL   9           HB       VAL   9  -6.494  -0.461  -0.461
   26   1HG1  VAL   9          2HG1      VAL   9  -3.822  -1.721  -1.721
   27   2HG1  VAL   9          1HG1      VAL   9  -4.000  -0.102  -0.102
   28   3HG1  VAL   9          3HG1      VAL   9  -4.671  -0.472  -0.472
   29   1HG2  VAL   9          3HG2      VAL   9  -4.992  -2.577  -2.577
   30   2HG2  VAL   9          2HG2      VAL   9  -6.480  -1.751  -1.751
   31   3HG2  VAL   9          1HG2      VAL   9  -4.958  -0.863  -0.863
   32    H    LYS  10           H        LYS  10  -4.825  -3.427  -3.427
   33    HA   LYS  10           HA       LYS  10  -6.419  -2.262  -2.262
   34   1HB   LYS  10          2HB       LYS  10  -4.943  -4.735  -4.735
   35   2HB   LYS  10          1HB       LYS  10  -4.551  -4.054  -4.054
   36   1HG   LYS  10          2HG       LYS  10  -7.006  -3.882  -3.882
   37   2HG   LYS  10          1HG       LYS  10  -7.317  -4.715  -4.715
   38   1HD   LYS  10          2HD       LYS  10  -6.384  -6.727  -6.727
   39   2HD   LYS  10          1HD       LYS  10  -5.447  -5.926  -5.926
   40   1HE   LYS  10          2HE       LYS  10  -8.037  -5.269  -5.269
   41   2HE   LYS  10          1HE       LYS  10  -8.211  -6.926  -6.926
   42   1HZ   LYS  10          2HZ       LYS  10  -5.936  -7.153  -7.153
   43   2HZ   LYS  10          1HZ       LYS  10  -6.678  -5.945  -5.945
   44   3HZ   LYS  10          3HZ       LYS  10  -7.449  -7.440  -7.440
   45    HA   PRO  11           HA       PRO  11  -3.132   0.312   0.312
   46   1HB   PRO  11          2HB       PRO  11  -2.655  -0.415  -0.415
   47   2HB   PRO  11          1HB       PRO  11  -4.092   0.498   0.498
   48   1HG   PRO  11          2HG       PRO  11  -3.800  -2.417  -2.417
   49   2HG   PRO  11          1HG       PRO  11  -5.118  -1.314  -1.314
   50   1HD   PRO  11          2HD       PRO  11  -5.284  -3.027  -3.027
   51   2HD   PRO  11          1HD       PRO  11  -6.086  -1.440  -1.440
   52    H    GLU  12           H        GLU  12  -2.640  -3.113  -3.113
   53    HA   GLU  12           HA       GLU  12   0.228  -2.990  -2.990
   54   1HB   GLU  12          2HB       GLU  12   0.043  -5.393  -5.393
   55   2HB   GLU  12          1HB       GLU  12  -1.413  -4.800  -4.800
   56   1HG   GLU  12          2HG       GLU  12  -2.609  -4.916  -4.916
   57   2HG   GLU  12          1HG       GLU  12  -1.164  -5.630  -5.630
   58    H    ASP  13           H        ASP  13  -1.983  -3.476  -3.476
   59    HA   ASP  13           HA       ASP  13   0.170  -3.990  -3.990
   60   1HB   ASP  13          2HB       ASP  13  -2.757  -4.017  -4.017
   61   2HB   ASP  13          1HB       ASP  13  -2.186  -3.326  -3.326
   62    H    LYS  14           H        LYS  14  -1.969  -1.356  -1.356
   63    HA   LYS  14           HA       LYS  14  -1.025   0.542   0.542
   64   1HB   LYS  14          2HB       LYS  14  -3.229   0.481   0.481
   65   2HB   LYS  14          1HB       LYS  14  -2.293   1.109   1.109
   66   1HG   LYS  14          2HG       LYS  14  -1.859   2.554   2.554
   67   2HG   LYS  14          1HG       LYS  14  -3.503   2.671   2.671
   68   1HD   LYS  14          2HD       LYS  14  -2.492   3.272   3.272
   69   2HD   LYS  14          1HD       LYS  14  -0.939   3.412   3.412
   70   1HE   LYS  14          2HE       LYS  14  -1.841   5.632   5.632
   71   2HE   LYS  14          1HE       LYS  14  -2.153   5.024   5.024
   72   1HZ   LYS  14          2HZ       LYS  14  -4.100   4.477   4.477
   73   2HZ   LYS  14          1HZ       LYS  14  -4.097   6.012   6.012
   74   3HZ   LYS  14          3HZ       LYS  14  -4.351   4.627   4.627
   75    H    ALA  15           H        ALA  15   0.193  -0.725  -0.725
   76    HA   ALA  15           HA       ALA  15   1.780   1.566   1.566
   77   1HB   ALA  15          2HB       ALA  15   1.582  -1.376  -1.376
   78   2HB   ALA  15          1HB       ALA  15   2.940  -0.445  -0.445
   79   3HB   ALA  15          3HB       ALA  15   1.289  -0.001  -0.001
   80    H    LYS  16           H        LYS  16   2.370  -1.413  -1.413
   81    HA   LYS  16           HA       LYS  16   5.163  -0.782  -0.782
   82   1HB   LYS  16          2HB       LYS  16   5.149  -2.907  -2.907
   83   2HB   LYS  16          1HB       LYS  16   3.609  -3.017  -3.017
   84   1HG   LYS  16          2HG       LYS  16   2.395  -2.455  -2.455
   85   2HG   LYS  16          1HG       LYS  16   3.896  -2.108  -2.108
   86   1HD   LYS  16          2HD       LYS  16   3.534  -4.277  -4.277
   87   2HD   LYS  16          1HD       LYS  16   4.478  -4.601  -4.601
   88   1HE   LYS  16          2HE       LYS  16   2.598  -5.277  -5.277
   89   2HE   LYS  16          1HE       LYS  16   1.472  -4.400  -4.400
   90   1HZ   LYS  16          3HZ       LYS  16   2.606  -5.970  -5.970
   91   2HZ   LYS  16          2HZ       LYS  16   2.798  -6.972  -6.972
   92   3HZ   LYS  16          1HZ       LYS  16   1.247  -6.464  -6.464
   93    H    TYR  17           H        TYR  17   2.089   0.072   0.072
   94    HA   TYR  17           HA       TYR  17   3.064   0.930   0.930
   95   1HB   TYR  17          2HB       TYR  17   0.517   1.451   1.451
   96   2HB   TYR  17          1HB       TYR  17   0.747   1.888   1.888
   97    HD1  TYR  17           HD1      TYR  17   2.587  -1.028  -1.028
   98    HD2  TYR  17           HD2      TYR  17  -1.485   0.318   0.318
   99    HE1  TYR  17           HE1      TYR  17   1.872  -3.305  -3.305
  100    HE2  TYR  17           HE2      TYR  17  -2.203  -1.956  -1.956
  101    HH   TYR  17           HH       TYR  17  -1.458  -4.224  -4.224
  102    H    ASP  18           H        ASP  18   2.532   2.285   2.285
  103    HA   ASP  18           HA       ASP  18   2.789   5.080   5.080
  104   1HB   ASP  18          2HB       ASP  18   1.646   4.020   4.020
  105   2HB   ASP  18          1HB       ASP  18   3.266   3.823   3.823
  106    H    ALA  19           H        ALA  19   5.025   2.519   2.519
  107    HA   ALA  19           HA       ALA  19   7.292   4.326   4.326
  108   1HB   ALA  19          3HB       ALA  19   6.630   1.478   1.478
  109   2HB   ALA  19          2HB       ALA  19   8.217   1.750   1.750
  110   3HB   ALA  19          1HB       ALA  19   7.862   2.370   2.370
  111    H    ILE  20           H        ILE  20   5.925   2.374   2.374
  112    HA   ILE  20           HA       ILE  20   8.017   2.878   2.878
  113    HB   ILE  20           HB       ILE  20   5.200   1.779   1.779
  114   1HG1  ILE  20          2HG1      ILE  20   7.655   0.362   0.362
  115   2HG1  ILE  20          1HG1      ILE  20   7.403   0.547   0.547
  116   1HG2  ILE  20          3HG2      ILE  20   5.608   3.022   3.022
  117   2HG2  ILE  20          2HG2      ILE  20   6.930   1.900   1.900
  118   3HG2  ILE  20          1HG2      ILE  20   5.276   1.302   1.302
  119   1HD1  ILE  20          2HD1      ILE  20   5.124  -0.437  -0.437
  120   2HD1  ILE  20          1HD1      ILE  20   6.426  -1.558  -1.558
  121   3HD1  ILE  20          3HD1      ILE  20   5.499  -0.788  -0.788
  122    H    PHE  21           H        PHE  21   5.012   4.299   4.299
  123    HA   PHE  21           HA       PHE  21   4.630   6.130   6.130
  124   1HB   PHE  21          2HB       PHE  21   2.676   5.760   5.760
  125   2HB   PHE  21          1HB       PHE  21   3.524   5.538   5.538
  126    HD1  PHE  21           HD2      PHE  21   4.451   7.583   7.583
  127    HD2  PHE  21           HD1      PHE  21   1.703   7.842   7.842
  128    HE1  PHE  21           HE2      PHE  21   3.885   9.905   9.905
  129    HE2  PHE  21           HE1      PHE  21   1.132  10.161  10.161
  130    HZ   PHE  21           HZ       PHE  21   2.228  11.195  11.195
  131    H    ASP  22           H        ASP  22   6.120   6.307   6.307
  132    HA   ASP  22           HA       ASP  22   6.905   9.121   9.121
  133   1HB   ASP  22          2HB       ASP  22   6.296   8.480   8.480
  134   2HB   ASP  22          1HB       ASP  22   7.249   6.995   6.995
  135    H    SER  23           H        SER  23   8.038   6.246   6.246
  136    HA   SER  23           HA       SER  23  10.928   6.869   6.869
  137   1HB   SER  23          2HB       SER  23  10.323   4.551   4.551
  138   2HB   SER  23          1HB       SER  23   9.277   4.639   4.639
  139    HG   SER  23           HG       SER  23  12.108   4.838   4.838
  140    H    LEU  24           H        LEU  24   8.346   7.774   7.774
  141    HA   LEU  24           HA       LEU  24   9.994   8.192   8.192
  142   1HB   LEU  24          2HB       LEU  24   7.089   8.758   8.758
  143   2HB   LEU  24          1HB       LEU  24   8.042   7.853   7.853
  144    HG   LEU  24           HG       LEU  24   7.119   6.840   6.840
  145   1HD1  LEU  24          2HD1      LEU  24   5.667   7.097   7.097
  146   2HD1  LEU  24          1HD1      LEU  24   6.253   5.436   5.436
  147   3HD1  LEU  24          3HD1      LEU  24   5.301   5.977   5.977
  148   1HD2  LEU  24          3HD2      LEU  24   9.065   5.883   5.883
  149   2HD2  LEU  24          2HD2      LEU  24   8.927   5.483   5.483
  150   3HD2  LEU  24          1HD2      LEU  24   7.900   4.671   4.671
  151    H    SER  25           H        SER  25   8.934   9.718   9.718
  152    HA   SER  25           HA       SER  25   9.172  11.993  11.993
  153   1HB   SER  25          2HB       SER  25  10.499  11.836  11.836
  154   2HB   SER  25          1HB       SER  25   9.312  13.107  13.107
  155    HG   SER  25           HG       SER  25  10.232  13.604  13.604
  156    HA   PRO  26           HA       PRO  26   4.765  12.288  12.288
  157   1HB   PRO  26          2HB       PRO  26   4.015  12.928  12.928
  158   2HB   PRO  26          1HB       PRO  26   4.283  11.256  11.256
  159   1HG   PRO  26          2HG       PRO  26   6.050  13.046  13.046
  160   2HG   PRO  26          1HG       PRO  26   5.781  11.304  11.304
  161   1HD   PRO  26          2HD       PRO  26   7.976  12.420  12.420
  162   2HD   PRO  26          1HD       PRO  26   7.353  10.798  10.798
  163    H    VAL  27           H        VAL  27   3.547  14.145  14.145
  164    HA   VAL  27           HA       VAL  27   4.823  16.743  16.743
  165    HB   VAL  27           HB       VAL  27   3.231  15.938  15.938
  166   1HG1  VAL  27          1HG1      VAL  27   2.817  18.284  18.284
  167   2HG1  VAL  27          3HG1      VAL  27   4.556  18.578  18.578
  168   3HG1  VAL  27          2HG1      VAL  27   3.723  18.201  18.201
  169   1HG2  VAL  27          3HG2      VAL  27   6.155  16.607  16.607
  170   2HG2  VAL  27          2HG2      VAL  27   5.493  15.058  15.058
  171   3HG2  VAL  27          1HG2      VAL  27   5.421  16.453  16.453
  172    H    ASN  28           H        ASN  28   3.556  17.362  17.362
  173    HA   ASN  28           HA       ASN  28   1.619  18.037  18.037
  174   1HB   ASN  28          2HB       ASN  28   1.479  19.361  19.361
  175   2HB   ASN  28          1HB       ASN  28   0.456  18.084  18.084
  176   1HD2  ASN  28          1HD2      ASN  28  -1.665  17.704  17.704
  177   2HD2  ASN  28          2HD2      ASN  28  -2.382  18.971  18.971
  178    H    GLY  29           H        GLY  29   2.106  15.122  15.122
  179   1HA   GLY  29          2HA       GLY  29   0.913  13.194  13.194
  180   2HA   GLY  29          1HA       GLY  29  -0.578  14.139  14.139
  181    H    PHE  30           H        PHE  30   1.700  14.025  14.025
  182    HA   PHE  30           HA       PHE  30  -0.041  12.178  12.178
  183   1HB   PHE  30          2HB       PHE  30   0.464  15.093  15.093
  184   2HB   PHE  30          1HB       PHE  30  -0.192  13.949  13.949
  185    HD1  PHE  30           HD2      PHE  30  -2.349  12.811  12.811
  186    HD2  PHE  30           HD1      PHE  30  -0.867  15.928  15.928
  187    HE1  PHE  30           HE2      PHE  30  -4.617  13.088  13.088
  188    HE2  PHE  30           HE1      PHE  30  -3.115  16.201  16.201
  189    HZ   PHE  30           HZ       PHE  30  -4.999  14.783  14.783
  190    H    LEU  31           H        LEU  31   0.960  11.402  11.402
  191    HA   LEU  31           HA       LEU  31   3.867  12.086  12.086
  192   1HB   LEU  31          2HB       LEU  31   2.444   9.412   9.412
  193   2HB   LEU  31          1HB       LEU  31   4.080   9.624   9.624
  194    HG   LEU  31           HG       LEU  31   3.411  10.633  10.633
  195   1HD1  LEU  31          1HD1      LEU  31   4.174   7.787   7.787
  196   2HD1  LEU  31          3HD1      LEU  31   4.101   8.438   8.438
  197   3HD1  LEU  31          2HD1      LEU  31   2.628   8.298   8.298
  198   1HD2  LEU  31          2HD2      LEU  31   5.789  10.058  10.058
  199   2HD2  LEU  31          1HD2      LEU  31   5.573  11.253  11.253
  200   3HD2  LEU  31          3HD2      LEU  31   5.931   9.573   9.573
  201    H    SER  32           H        SER  32   4.370  12.645  12.645
  202    HA   SER  32           HA       SER  32   2.265  12.739  12.739
  203   1HB   SER  32          2HB       SER  32   5.108  13.177  13.177
  204   2HB   SER  32          1HB       SER  32   3.703  14.197  14.197
  205    HG   SER  32           HG       SER  32   4.411  15.296  15.296
  206    H    GLY  33           H        GLY  33   2.016  11.413  11.413
  207   1HA   GLY  33          2HA       GLY  33   2.719   8.745   8.745
  208   2HA   GLY  33          1HA       GLY  33   2.485   9.657   9.657
  209    H    ASP  34           H        ASP  34   4.781  11.461  11.461
  210    HA   ASP  34           HA       ASP  34   6.853  10.156  10.156
  211   1HB   ASP  34          2HB       ASP  34   6.549  12.610  12.610
  212   2HB   ASP  34          1HB       ASP  34   7.066  12.354  12.354
  213    H    LYS  35           H        LYS  35   6.074  10.129  10.129
  214    HA   LYS  35           HA       LYS  35   8.593   8.668   8.668
  215   1HB   LYS  35          2HB       LYS  35   6.367   9.594   9.594
  216   2HB   LYS  35          1HB       LYS  35   8.036   9.225   9.225
  217   1HG   LYS  35          2HG       LYS  35   8.844  11.104  11.104
  218   2HG   LYS  35          1HG       LYS  35   7.210  11.440  11.440
  219   1HD   LYS  35          2HD       LYS  35   6.739  11.495  11.495
  220   2HD   LYS  35          1HD       LYS  35   8.434  11.986  11.986
  221   1HE   LYS  35          2HE       LYS  35   6.319  13.299  13.299
  222   2HE   LYS  35          1HE       LYS  35   6.859  13.939  13.939
  223   1HZ   LYS  35          1HZ       LYS  35   8.756  13.219  13.219
  224   2HZ   LYS  35          3HZ       LYS  35   8.098  14.777  14.777
  225   3HZ   LYS  35          2HZ       LYS  35   9.053  14.150  14.150
  226    H    VAL  36           H        VAL  36   5.079   8.349   8.349
  227    HA   VAL  36           HA       VAL  36   5.081   5.656   5.656
  228    HB   VAL  36           HB       VAL  36   3.041   7.296   7.296
  229   1HG1  VAL  36          1HG1      VAL  36   2.705   4.761   4.761
  230   2HG1  VAL  36          3HG1      VAL  36   2.518   4.931   4.931
  231   3HG1  VAL  36          2HG1      VAL  36   1.390   5.736   5.736
  232   1HG2  VAL  36          3HG2      VAL  36   3.480   6.830   6.830
  233   2HG2  VAL  36          2HG2      VAL  36   3.794   8.334   8.334
  234   3HG2  VAL  36          1HG2      VAL  36   2.141   7.740   7.740
  235    H    LYS  37           H        LYS  37   5.079   7.084   7.084
  236    HA   LYS  37           HA       LYS  37   4.288   4.889   4.889
  237   1HB   LYS  37          2HB       LYS  37   4.658   6.964   6.964
  238   2HB   LYS  37          1HB       LYS  37   6.267   7.138   7.138
  239   1HG   LYS  37          2HG       LYS  37   7.047   5.217   5.217
  240   2HG   LYS  37          1HG       LYS  37   5.444   5.109   5.109
  241   1HD   LYS  37          2HD       LYS  37   6.077   6.644   6.644
  242   2HD   LYS  37          1HD       LYS  37   6.235   7.820   7.820
  243   1HE   LYS  37          2HE       LYS  37   8.496   7.774   7.774
  244   2HE   LYS  37          1HE       LYS  37   8.517   6.002   6.002
  245   1HZ   LYS  37          1HZ       LYS  37   7.494   7.263   7.263
  246   2HZ   LYS  37          3HZ       LYS  37   9.173   7.264   7.264
  247   3HZ   LYS  37          2HZ       LYS  37   8.323   5.794   5.794
  248    HA   PRO  38           HA       PRO  38   8.826   3.285   3.285
  249   1HB   PRO  38          2HB       PRO  38  10.492   4.320   4.320
  250   2HB   PRO  38          1HB       PRO  38  10.369   4.999   4.999
  251   1HG   PRO  38          2HG       PRO  38   9.054   5.903   5.903
  252   2HG   PRO  38          1HG       PRO  38   9.831   6.868   6.868
  253   1HD   PRO  38          2HD       PRO  38   7.169   6.637   6.637
  254   2HD   PRO  38          1HD       PRO  38   8.014   6.711   6.711
  255    H    VAL  39           H        VAL  39   7.367   4.324   4.324
  256    HA   VAL  39           HA       VAL  39   8.233   2.091   2.091
  257    HB   VAL  39           HB       VAL  39   6.169   4.275   4.275
  258   1HG1  VAL  39          3HG1      VAL  39   6.220   1.804   1.804
  259   2HG1  VAL  39          2HG1      VAL  39   6.270   3.252   3.252
  260   3HG1  VAL  39          1HG1      VAL  39   4.948   3.019   3.019
  261   1HG2  VAL  39          1HG2      VAL  39   8.820   4.326   4.326
  262   2HG2  VAL  39          3HG2      VAL  39   7.668   5.365   5.365
  263   3HG2  VAL  39          2HG2      VAL  39   8.229   3.875   3.875
  264    H    LEU  40           H        LEU  40   5.778   2.509   2.509
  265    HA   LEU  40           HA       LEU  40   4.153   0.242   0.242
  266   1HB   LEU  40          2HB       LEU  40   3.952   2.204   2.204
  267   2HB   LEU  40          1HB       LEU  40   2.832   0.859   0.859
  268    HG   LEU  40           HG       LEU  40   3.339   2.961   2.961
  269   1HD1  LEU  40          1HD1      LEU  40   1.033   2.631   2.631
  270   2HD1  LEU  40          3HD1      LEU  40   1.086   3.792   3.792
  271   3HD1  LEU  40          2HD1      LEU  40   2.219   3.936   3.936
  272   1HD2  LEU  40          2HD2      LEU  40   1.685   0.483   0.483
  273   2HD2  LEU  40          1HD2      LEU  40   2.503   1.176   1.176
  274   3HD2  LEU  40          3HD2      LEU  40   0.982   1.867   1.867
  275    H    LEU  41           H        LEU  41   6.707   0.952   0.952
  276    HA   LEU  41           HA       LEU  41   6.308  -1.333  -1.333
  277   1HB   LEU  41          2HB       LEU  41   8.561   0.627   0.627
  278   2HB   LEU  41          1HB       LEU  41   8.564  -0.548  -0.548
  279    HG   LEU  41           HG       LEU  41   6.232   1.307   1.307
  280   1HD1  LEU  41          3HD1      LEU  41   8.866   2.190   2.190
  281   2HD1  LEU  41          2HD1      LEU  41   8.146   2.208   2.208
  282   3HD1  LEU  41          1HD1      LEU  41   7.394   3.114   3.114
  283   1HD2  LEU  41          3HD2      LEU  41   6.161  -0.655  -0.655
  284   2HD2  LEU  41          2HD2      LEU  41   5.993   0.884   0.884
  285   3HD2  LEU  41          1HD2      LEU  41   7.533   0.022   0.022
  286    H    ASN  42           H        ASN  42   8.226  -0.539  -0.539
  287    HA   ASN  42           HA       ASN  42  10.132  -2.533  -2.533
  288   1HB   ASN  42          2HB       ASN  42   9.997  -2.251  -2.251
  289   2HB   ASN  42          1HB       ASN  42   9.442  -0.722  -0.722
  290   1HD2  ASN  42          1HD2      ASN  42   6.801  -1.250  -1.250
  291   2HD2  ASN  42          2HD2      ASN  42   5.907  -1.718  -1.718
  292    H    SER  43           H        SER  43   6.650  -2.920  -2.920
  293    HA   SER  43           HA       SER  43   6.625  -5.602  -5.602
  294   1HB   SER  43          2HB       SER  43   4.421  -5.085  -5.085
  295   2HB   SER  43          1HB       SER  43   4.853  -3.531  -3.531
  296    HG   SER  43           HG       SER  43   3.277  -4.803  -4.803
  297    H    LYS  44           H        LYS  44   7.671  -4.421  -4.421
  298    HA   LYS  44           HA       LYS  44   8.393  -5.592  -5.592
  299   1HB   LYS  44          2HB       LYS  44   8.460  -7.425  -7.425
  300   2HB   LYS  44          1HB       LYS  44   7.168  -8.127  -8.127
  301   1HG   LYS  44          2HG       LYS  44   8.798  -9.028  -9.028
  302   2HG   LYS  44          1HG       LYS  44   9.082  -7.395  -7.395
  303   1HD   LYS  44          2HD       LYS  44  10.622  -7.042  -7.042
  304   2HD   LYS  44          1HD       LYS  44  10.478  -8.770  -8.770
  305   1HE   LYS  44          2HE       LYS  44  11.982  -9.253  -9.253
  306   2HE   LYS  44          1HE       LYS  44  11.084  -8.280  -8.280
  307   1HZ   LYS  44          3HZ       LYS  44  12.614  -6.961  -6.961
  308   2HZ   LYS  44          2HZ       LYS  44  13.416  -7.491  -7.491
  309   3HZ   LYS  44          1HZ       LYS  44  12.159  -6.353  -6.353
  310    H    LEU  45           H        LEU  45   5.353  -4.904  -4.904
  311    HA   LEU  45           HA       LEU  45   3.807  -6.467  -6.467
  312   1HB   LEU  45          2HB       LEU  45   3.369  -4.218  -4.218
  313   2HB   LEU  45          1HB       LEU  45   2.128  -4.570  -4.570
  314    HG   LEU  45           HG       LEU  45   3.278  -6.534  -6.534
  315   1HD1  LEU  45          1HD1      LEU  45   1.475  -4.607  -4.607
  316   2HD1  LEU  45          3HD1      LEU  45   0.389  -5.825  -5.825
  317   3HD1  LEU  45          2HD1      LEU  45   1.383  -6.207  -6.207
  318   1HD2  LEU  45          3HD2      LEU  45   2.053  -6.972  -6.972
  319   2HD2  LEU  45          2HD2      LEU  45   2.455  -8.174  -8.174
  320   3HD2  LEU  45          1HD2      LEU  45   0.869  -7.404  -7.404
  321    HA   PRO  46           HA       PRO  46   4.257  -3.781  -3.781
  322   1HB   PRO  46          2HB       PRO  46   1.793  -4.027  -4.027
  323   2HB   PRO  46          1HB       PRO  46   3.021  -5.307  -5.307
  324   1HG   PRO  46          2HG       PRO  46   0.596  -5.071  -5.071
  325   2HG   PRO  46          1HG       PRO  46   1.360  -6.508  -6.508
  326   1HD   PRO  46          2HD       PRO  46   1.601  -5.722  -5.722
  327   2HD   PRO  46          1HD       PRO  46   2.751  -6.774  -6.774
  328    H    VAL  47           H        VAL  47   3.342  -1.758  -1.758
  329    HA   VAL  47           HA       VAL  47   2.604   0.180   0.180
  330    HB   VAL  47           HB       VAL  47   2.754   0.038   0.038
  331   1HG1  VAL  47          3HG1      VAL  47   1.877   2.410   2.410
  332   2HG1  VAL  47          2HG1      VAL  47   2.349   2.507   2.507
  333   3HG1  VAL  47          1HG1      VAL  47   0.921   1.583   1.583
  334   1HG2  VAL  47          1HG2      VAL  47   4.409   0.975   0.975
  335   2HG2  VAL  47          3HG2      VAL  47   4.905   0.378   0.378
  336   3HG2  VAL  47          2HG2      VAL  47   4.382   2.052   2.052
  337    H    ASP  48           H        ASP  48   0.702  -2.170  -2.170
  338    HA   ASP  48           HA       ASP  48  -1.765  -0.646  -0.646
  339   1HB   ASP  48          2HB       ASP  48  -0.808  -3.445  -3.445
  340   2HB   ASP  48          1HB       ASP  48  -2.516  -3.228  -3.228
  341    H    ILE  49           H        ILE  49  -0.296  -2.834  -2.834
  342    HA   ILE  49           HA       ILE  49  -2.484  -2.862  -2.862
  343    HB   ILE  49           HB       ILE  49   0.477  -3.053  -3.053
  344   1HG1  ILE  49          2HG1      ILE  49   0.166  -4.502  -4.502
  345   2HG1  ILE  49          1HG1      ILE  49   0.127  -5.535  -5.535
  346   1HG2  ILE  49          3HG2      ILE  49  -1.893  -3.382  -3.382
  347   2HG2  ILE  49          2HG2      ILE  49  -1.199  -4.988  -4.988
  348   3HG2  ILE  49          1HG2      ILE  49  -0.233  -3.704  -3.704
  349   1HD1  ILE  49          3HD1      ILE  49  -2.366  -5.404  -5.404
  350   2HD1  ILE  49          2HD1      ILE  49  -2.272  -4.486  -4.486
  351   3HD1  ILE  49          1HD1      ILE  49  -1.705  -6.156  -6.156
  352    H    LEU  50           H        LEU  50   0.458  -0.950  -0.950
  353    HA   LEU  50           HA       LEU  50   0.088   0.766   0.766
  354   1HB   LEU  50          2HB       LEU  50   1.399   1.443   1.443
  355   2HB   LEU  50          1HB       LEU  50   1.845   2.034   2.034
  356    HG   LEU  50           HG       LEU  50   2.287  -0.696  -0.696
  357   1HD1  LEU  50          2HD1      LEU  50   3.989   1.346   1.346
  358   2HD1  LEU  50          1HD1      LEU  50   4.555  -0.272  -0.272
  359   3HD1  LEU  50          3HD1      LEU  50   4.105   0.859   0.859
  360   1HD2  LEU  50          3HD2      LEU  50   1.652  -0.036  -0.036
  361   2HD2  LEU  50          2HD2      LEU  50   1.631  -1.596  -1.596
  362   3HD2  LEU  50          1HD2      LEU  50   3.150  -0.943  -0.943
  363    H    GLY  51           H        GLY  51  -1.507   0.628   0.628
  364   1HA   GLY  51          2HA       GLY  51  -2.403   3.440   3.440
  365   2HA   GLY  51          1HA       GLY  51  -2.840   2.276   2.276
  366    H    ARG  52           H        ARG  52  -3.595   0.195   0.195
  367    HA   ARG  52           HA       ARG  52  -6.308   1.160   1.160
  368   1HB   ARG  52          2HB       ARG  52  -5.055  -1.217  -1.217
  369   2HB   ARG  52          1HB       ARG  52  -5.714  -1.571  -1.571
  370   1HG   ARG  52          2HG       ARG  52  -7.865  -0.398  -0.398
  371   2HG   ARG  52          1HG       ARG  52  -7.168  -0.660  -0.660
  372   1HD   ARG  52          2HD       ARG  52  -7.194  -2.989  -2.989
  373   2HD   ARG  52          1HD       ARG  52  -8.728  -2.509  -2.509
  374    HE   ARG  52           HE       ARG  52  -7.381  -2.555  -2.555
  375   1HH1  ARG  52          1HH2      ARG  52  -4.819  -3.432  -3.432
  376   2HH1  ARG  52          2HH2      ARG  52  -4.860  -5.146  -5.146
  377   1HH2  ARG  52          2HH1      ARG  52  -8.244  -5.218  -5.218
  378   2HH2  ARG  52          1HH1      ARG  52  -6.801  -6.158  -6.158
  379    H    VAL  53           H        VAL  53  -3.667  -0.565  -0.565
  380    HA   VAL  53           HA       VAL  53  -4.746  -0.574  -0.574
  381    HB   VAL  53           HB       VAL  53  -1.948  -0.299  -0.299
  382   1HG1  VAL  53          3HG1      VAL  53  -2.759   0.329   0.329
  383   2HG1  VAL  53          2HG1      VAL  53  -1.927  -1.222  -1.222
  384   3HG1  VAL  53          1HG1      VAL  53  -1.119   0.190   0.190
  385   1HG2  VAL  53          3HG2      VAL  53  -3.465  -2.406  -2.406
  386   2HG2  VAL  53          2HG2      VAL  53  -1.814  -2.621  -2.621
  387   3HG2  VAL  53          1HG2      VAL  53  -3.155  -2.586  -2.586
  388    H    TRP  54           H        TRP  54  -2.953   2.035   2.035
  389    HA   TRP  54           HA       TRP  54  -2.876   3.873   3.873
  390   1HB   TRP  54          2HB       TRP  54  -1.540   4.228   4.228
  391   2HB   TRP  54          1HB       TRP  54  -2.965   4.203   4.203
  392    HD1  TRP  54           HD1      TRP  54  -4.791   6.232   6.232
  393    HE1  TRP  54           HE1      TRP  54  -4.356   8.691   8.691
  394    HE3  TRP  54           HE3      TRP  54  -0.020   5.844   5.844
  395    HZ2  TRP  54           HZ2      TRP  54  -2.250  10.286  10.286
  396    HZ3  TRP  54           HZ3      TRP  54   1.183   7.845   7.845
  397    HH2  TRP  54           HH2      TRP  54   0.074  10.062  10.062
  398    H    GLU  55           H        GLU  55  -5.142   3.798   3.798
  399    HA   GLU  55           HA       GLU  55  -6.909   5.802   5.802
  400   1HB   GLU  55          2HB       GLU  55  -7.377   3.107   3.107
  401   2HB   GLU  55          1HB       GLU  55  -8.620   4.355   4.355
  402   1HG   GLU  55          2HG       GLU  55  -6.008   5.309   5.309
  403   2HG   GLU  55          1HG       GLU  55  -6.796   4.132   4.132
  404    H    LEU  56           H        LEU  56  -7.187   2.359   2.359
  405    HA   LEU  56           HA       LEU  56  -9.340   2.866   2.866
  406   1HB   LEU  56          2HB       LEU  56  -7.459   0.500   0.500
  407   2HB   LEU  56          1HB       LEU  56  -9.049   0.489   0.489
  408    HG   LEU  56           HG       LEU  56  -9.092   1.548   1.548
  409   1HD1  LEU  56          1HD1      LEU  56  -7.292  -0.444  -0.444
  410   2HD1  LEU  56          3HD1      LEU  56  -8.761  -1.406  -1.406
  411   3HD1  LEU  56          2HD1      LEU  56  -8.321  -0.265  -0.265
  412   1HD2  LEU  56          3HD2      LEU  56 -10.870   0.465   0.465
  413   2HD2  LEU  56          2HD2      LEU  56 -11.190   0.651   0.651
  414   3HD2  LEU  56          1HD2      LEU  56 -10.604  -0.890  -0.890
  415    H    SER  57           H        SER  57  -6.004   3.408   3.408
  416    HA   SER  57           HA       SER  57  -5.753   2.990   2.990
  417   1HB   SER  57          2HB       SER  57  -3.903   3.450   3.450
  418   2HB   SER  57          1HB       SER  57  -3.333   3.676   3.676
  419    HG   SER  57           HG       SER  57  -4.151   1.360   1.360
  420    H    ASP  58           H        ASP  58  -5.866   5.532   5.532
  421    HA   ASP  58           HA       ASP  58  -5.070   7.614   7.614
  422   1HB   ASP  58          2HB       ASP  58  -4.635   7.381   7.381
  423   2HB   ASP  58          1HB       ASP  58  -6.237   8.110   8.110
  424    H    ILE  59           H        ILE  59  -6.975   6.960   6.960
  425    HA   ILE  59           HA       ILE  59  -9.681   7.177   7.177
  426    HB   ILE  59           HB       ILE  59  -8.087   8.345   8.345
  427   1HG1  ILE  59          2HG1      ILE  59  -7.679   5.933   5.933
  428   2HG1  ILE  59          1HG1      ILE  59  -8.548   6.193   6.193
  429   1HG2  ILE  59          2HG2      ILE  59 -10.476   9.136   9.136
  430   2HG2  ILE  59          1HG2      ILE  59 -10.978   7.456   7.456
  431   3HG2  ILE  59          3HG2      ILE  59 -10.106   8.277   8.277
  432   1HD1  ILE  59          3HD1      ILE  59 -10.654   5.934   5.934
  433   2HD1  ILE  59          2HD1      ILE  59  -9.479   4.942   4.942
  434   3HD1  ILE  59          1HD1      ILE  59  -9.899   4.556   4.556
  435    H    ASP  60           H        ASP  60  -7.291   9.749   9.749
  436    HA   ASP  60           HA       ASP  60  -9.361  11.855  11.855
  437   1HB   ASP  60          2HB       ASP  60  -7.677  12.384  12.384
  438   2HB   ASP  60          1HB       ASP  60  -6.402  11.716  11.716
  439    H    HIS  61           H        HIS  61  -7.035  10.034  10.034
  440    HA   HIS  61           HA       HIS  61  -6.274  10.240  10.240
  441   1HB   HIS  61          2HB       HIS  61  -8.215  10.318  10.318
  442   2HB   HIS  61          1HB       HIS  61  -8.571   9.319   9.319
  443    HD1  HIS  61           HD1      HIS  61  -9.332  12.702  12.702
  444    HD2  HIS  61           HD2      HIS  61 -10.614  10.306  10.306
  445    HE1  HIS  61           HE1      HIS  61 -11.428  13.788  13.788
  446    H    ASP  62           H        ASP  62  -5.353  12.429  12.429
  447    HA   ASP  62           HA       ASP  62  -6.229  14.714  14.714
  448   1HB   ASP  62          2HB       ASP  62  -5.827  16.102  16.102
  449   2HB   ASP  62          1HB       ASP  62  -6.460  14.636  14.636
  450    H    GLY  63           H        GLY  63  -3.956  12.396  12.396
  451   1HA   GLY  63          2HA       GLY  63  -2.070  12.552  12.552
  452   2HA   GLY  63          1HA       GLY  63  -1.837  14.217  14.217
  453    H    MET  64           H        MET  64  -2.621  12.329  12.329
  454    HA   MET  64           HA       MET  64   0.168  11.463  11.463
  455   1HB   MET  64          2HB       MET  64  -1.181  13.202  13.202
  456   2HB   MET  64          1HB       MET  64   0.539  12.940  12.940
  457   1HG   MET  64          2HG       MET  64   0.231  14.162  14.162
  458   2HG   MET  64          1HG       MET  64  -1.360  14.634  14.634
  459   1HE   MET  64          2HE       MET  64   2.218  15.075  15.075
  460   2HE   MET  64          1HE       MET  64   2.745  16.142  16.142
  461   3HE   MET  64          3HE       MET  64   2.424  14.433  14.433
  462    H    LEU  65           H        LEU  65   0.311  10.150  10.150
  463    HA   LEU  65           HA       LEU  65  -2.316   8.896   8.896
  464   1HB   LEU  65          2HB       LEU  65   0.487   7.917   7.917
  465   2HB   LEU  65          1HB       LEU  65  -0.535   7.029   7.029
  466    HG   LEU  65           HG       LEU  65  -1.136   7.622   7.622
  467   1HD1  LEU  65          2HD1      LEU  65   0.336   5.579   5.579
  468   2HD1  LEU  65          1HD1      LEU  65  -1.271   4.869   4.869
  469   3HD1  LEU  65          3HD1      LEU  65  -0.450   5.502   5.502
  470   1HD2  LEU  65          3HD2      LEU  65  -2.830   6.558   6.558
  471   2HD2  LEU  65          2HD2      LEU  65  -3.240   7.772   7.772
  472   3HD2  LEU  65          1HD2      LEU  65  -3.147   6.071   6.071
  473    H    ASP  66           H        ASP  66  -2.865   9.839   9.839
  474    HA   ASP  66           HA       ASP  66  -0.905  10.831  10.831
  475   1HB   ASP  66          2HB       ASP  66  -2.946  11.863  11.863
  476   2HB   ASP  66          1HB       ASP  66  -3.849  10.403  10.403
  477    H    ARG  67           H        ARG  67  -0.926   9.978   9.978
  478    HA   ARG  67           HA       ARG  67   0.222   7.412   7.412
  479   1HB   ARG  67          2HB       ARG  67  -0.288   7.630   7.630
  480   2HB   ARG  67          1HB       ARG  67   0.420   9.086   9.086
  481   1HG   ARG  67          2HG       ARG  67  -2.048   9.818   9.818
  482   2HG   ARG  67          1HG       ARG  67  -2.435   8.578   8.578
  483   1HD   ARG  67          2HD       ARG  67  -0.460   9.779   9.779
  484   2HD   ARG  67          1HD       ARG  67  -0.976  11.162  11.162
  485    HE   ARG  67           HE       ARG  67  -3.144   9.628   9.628
  486   1HH1  ARG  67          1HH2      ARG  67  -1.136  11.155  11.155
  487   2HH1  ARG  67          2HH2      ARG  67  -2.041  12.607  12.607
  488   1HH2  ARG  67          2HH1      ARG  67  -4.275  12.016  12.016
  489   2HH2  ARG  67          1HH1      ARG  67  -3.817  13.093  13.093
  490    H    ASP  68           H        ASP  68  -3.188   8.324   8.324
  491    HA   ASP  68           HA       ASP  68  -4.023   5.588   5.588
  492   1HB   ASP  68          2HB       ASP  68  -5.010   8.187   8.187
  493   2HB   ASP  68          1HB       ASP  68  -6.068   7.462   7.462
  494    H    GLU  69           H        GLU  69  -3.983   7.698   7.698
  495    HA   GLU  69           HA       GLU  69  -5.485   5.887   5.887
  496   1HB   GLU  69          2HB       GLU  69  -3.518   8.078   8.078
  497   2HB   GLU  69          1HB       GLU  69  -4.869   7.490   7.490
  498   1HG   GLU  69          2HG       GLU  69  -6.418   8.253   8.253
  499   2HG   GLU  69          1HG       GLU  69  -5.034   8.991   8.991
  500    H    PHE  70           H        PHE  70  -2.062   6.734   6.734
  501    HA   PHE  70           HA       PHE  70  -0.943   4.976   4.976
  502   1HB   PHE  70          2HB       PHE  70   0.159   6.829   6.829
  503   2HB   PHE  70          1HB       PHE  70   0.130   5.781   5.781
  504    HD1  PHE  70           HD1      PHE  70   1.409   6.072   6.072
  505    HD2  PHE  70           HD2      PHE  70   1.746   4.072   4.072
  506    HE1  PHE  70           HE1      PHE  70   3.497   4.976   4.976
  507    HE2  PHE  70           HE2      PHE  70   3.835   2.975   2.975
  508    HZ   PHE  70           HZ       PHE  70   4.705   3.428   3.428
  509    H    ALA  71           H        ALA  71  -2.085   4.454   4.454
  510    HA   ALA  71           HA       ALA  71  -0.986   1.889   1.889
  511   1HB   ALA  71          1HB       ALA  71  -2.293   3.474   3.474
  512   2HB   ALA  71          3HB       ALA  71  -3.756   2.868   2.868
  513   3HB   ALA  71          2HB       ALA  71  -2.729   1.771   1.771
  514    H    VAL  72           H        VAL  72  -4.108   2.740   2.740
  515    HA   VAL  72           HA       VAL  72  -5.023   0.104   0.104
  516    HB   VAL  72           HB       VAL  72  -5.433   2.680   2.680
  517   1HG1  VAL  72          2HG1      VAL  72  -6.202   0.266   0.266
  518   2HG1  VAL  72          1HG1      VAL  72  -7.517   0.560   0.560
  519   3HG1  VAL  72          3HG1      VAL  72  -7.236   1.681   1.681
  520   1HG2  VAL  72          3HG2      VAL  72  -5.920   2.901   2.901
  521   2HG2  VAL  72          2HG2      VAL  72  -7.394   2.996   2.996
  522   3HG2  VAL  72          1HG2      VAL  72  -6.996   1.509   1.509
  523    H    ALA  73           H        ALA  73  -2.554   2.011   2.011
  524    HA   ALA  73           HA       ALA  73  -2.583   0.372   0.372
  525   1HB   ALA  73          2HB       ALA  73  -1.915   2.970   2.970
  526   2HB   ALA  73          1HB       ALA  73  -0.345   2.199   2.199
  527   3HB   ALA  73          3HB       ALA  73  -1.544   2.200   2.200
  528    H    MET  74           H        MET  74  -1.128   0.140   0.140
  529    HA   MET  74           HA       MET  74   1.330  -1.159  -1.159
  530   1HB   MET  74          2HB       MET  74   0.298  -1.182  -1.182
  531   2HB   MET  74          1HB       MET  74   1.968  -1.167  -1.167
  532   1HG   MET  74          2HG       MET  74  -0.008   1.094   1.094
  533   2HG   MET  74          1HG       MET  74   1.646   1.040   1.040
  534   1HE   MET  74          1HE       MET  74   3.148  -0.210  -0.210
  535   2HE   MET  74          3HE       MET  74   2.823  -0.184  -0.184
  536   3HE   MET  74          2HE       MET  74   3.879   1.028   1.028
  537    H    PHE  75           H        PHE  75  -1.708  -2.141  -2.141
  538    HA   PHE  75           HA       PHE  75  -0.940  -4.965  -4.965
  539   1HB   PHE  75          2HB       PHE  75  -2.939  -5.241  -5.241
  540   2HB   PHE  75          1HB       PHE  75  -2.626  -3.538  -3.538
  541    HD1  PHE  75           HD1      PHE  75  -4.626  -5.926  -5.926
  542    HD2  PHE  75           HD2      PHE  75  -3.935  -1.790  -1.790
  543    HE1  PHE  75           HE1      PHE  75  -6.750  -5.326  -5.326
  544    HE2  PHE  75           HE2      PHE  75  -6.052  -1.186  -1.186
  545    HZ   PHE  75           HZ       PHE  75  -7.461  -2.958  -2.958
  546    H    LEU  76           H        LEU  76  -2.516  -2.679  -2.679
  547    HA   LEU  76           HA       LEU  76  -3.798  -4.546  -4.546
  548   1HB   LEU  76          2HB       LEU  76  -3.119  -1.665  -1.665
  549   2HB   LEU  76          1HB       LEU  76  -3.320  -2.282  -2.282
  550    HG   LEU  76           HG       LEU  76  -5.334  -2.641  -2.641
  551   1HD1  LEU  76          2HD1      LEU  76  -4.787  -0.336  -0.336
  552   2HD1  LEU  76          1HD1      LEU  76  -6.156  -1.070  -1.070
  553   3HD1  LEU  76          3HD1      LEU  76  -6.275  -0.676  -0.676
  554   1HD2  LEU  76          2HD2      LEU  76  -4.990  -4.203  -4.203
  555   2HD2  LEU  76          1HD2      LEU  76  -6.556  -3.921  -3.921
  556   3HD2  LEU  76          3HD2      LEU  76  -6.073  -2.967  -2.967
  557    H    VAL  77           H        VAL  77  -0.595  -3.153  -3.153
  558    HA   VAL  77           HA       VAL  77   0.320  -4.256  -4.256
  559    HB   VAL  77           HB       VAL  77   1.559  -2.630  -2.630
  560   1HG1  VAL  77          2HG1      VAL  77   2.761  -3.608  -3.608
  561   2HG1  VAL  77          1HG1      VAL  77   3.457  -2.307  -2.307
  562   3HG1  VAL  77          3HG1      VAL  77   3.342  -3.936  -3.936
  563   1HG2  VAL  77          1HG2      VAL  77  -0.185  -1.828  -1.828
  564   2HG2  VAL  77          3HG2      VAL  77   1.078  -0.781  -0.781
  565   3HG2  VAL  77          2HG2      VAL  77   1.333  -1.631  -1.631
  566    H    TYR  78           H        TYR  78   0.265  -5.133  -5.133
  567    HA   TYR  78           HA       TYR  78   2.506  -7.045  -7.045
  568   1HB   TYR  78          2HB       TYR  78   0.944  -5.733  -5.733
  569   2HB   TYR  78          1HB       TYR  78   1.229  -7.442  -7.442
  570    HD1  TYR  78           HD2      TYR  78   3.802  -8.018  -8.018
  571    HD2  TYR  78           HD1      TYR  78   2.493  -4.464  -4.464
  572    HE1  TYR  78           HE2      TYR  78   6.150  -7.502  -7.502
  573    HE2  TYR  78           HE1      TYR  78   4.840  -3.949  -3.949
  574    HH   TYR  78           HH       TYR  78   7.422  -5.165  -5.165
  575    H    CYS  79           H        CYS  79  -0.944  -6.960  -6.960
  576    HA   CYS  79           HA       CYS  79  -1.283  -9.870  -9.870
  577   1HB   CYS  79          2HB       CYS  79  -2.914  -7.426  -7.426
  578   2HB   CYS  79          1HB       CYS  79  -3.623  -8.830  -8.830
  579    HG   CYS  79           HG       CYS  79  -4.385  -9.307  -9.307
  580    H    ALA  80           H        ALA  80  -0.548  -7.665  -7.665
  581    HA   ALA  80           HA       ALA  80  -1.611  -9.368  -9.368
  582   1HB   ALA  80          3HB       ALA  80  -0.242  -6.737  -6.737
  583   2HB   ALA  80          2HB       ALA  80  -0.046  -7.543  -7.543
  584   3HB   ALA  80          1HB       ALA  80  -1.659  -7.144  -7.144
  585    H    LEU  81           H        LEU  81   1.173  -9.235  -9.235
  586    HA   LEU  81           HA       LEU  81   3.004 -10.391 -10.391
  587   1HB   LEU  81          2HB       LEU  81   3.400 -10.120 -10.120
  588   2HB   LEU  81          1HB       LEU  81   4.625 -10.061 -10.061
  589    HG   LEU  81           HG       LEU  81   2.651  -7.963  -7.963
  590   1HD1  LEU  81          2HD1      LEU  81   5.469  -8.364  -8.364
  591   2HD1  LEU  81          1HD1      LEU  81   5.173  -7.002  -7.002
  592   3HD1  LEU  81          3HD1      LEU  81   4.545  -6.974  -6.974
  593   1HD2  LEU  81          1HD2      LEU  81   3.619  -8.539  -8.539
  594   2HD2  LEU  81          3HD2      LEU  81   2.104  -7.808  -7.808
  595   3HD2  LEU  81          2HD2      LEU  81   3.586  -6.851  -6.851
  596    H    GLU  82           H        GLU  82   1.336 -11.348 -11.348
  597    HA   GLU  82           HA       GLU  82   2.315 -14.058 -14.058
  598   1HB   GLU  82          2HB       GLU  82   1.517 -13.195 -13.195
  599   2HB   GLU  82          1HB       GLU  82   0.068 -12.525 -12.525
  600   1HG   GLU  82          2HG       GLU  82  -1.079 -14.452 -14.452
  601   2HG   GLU  82          1HG       GLU  82   0.256 -15.419 -15.419
  602    H    LYS  83           H        LYS  83  -0.838 -12.649 -12.649
  603    HA   LYS  83           HA       LYS  83  -1.133 -14.260 -14.260
  604   1HB   LYS  83          2HB       LYS  83  -1.260 -15.735 -15.735
  605   2HB   LYS  83          1HB       LYS  83  -2.963 -15.428 -15.428
  606   1HG   LYS  83          2HG       LYS  83  -2.823 -16.425 -16.425
  607   2HG   LYS  83          1HG       LYS  83  -1.060 -16.412 -16.412
  608   1HD   LYS  83          2HD       LYS  83  -1.395 -17.906 -17.906
  609   2HD   LYS  83          1HD       LYS  83  -2.964 -18.242 -18.242
  610   1HE   LYS  83          2HE       LYS  83  -1.645 -19.925 -19.925
  611   2HE   LYS  83          1HE       LYS  83  -1.484 -18.642 -18.642
  612   1HZ   LYS  83          1HZ       LYS  83   0.447 -17.820 -17.820
  613   2HZ   LYS  83          3HZ       LYS  83   0.375 -19.268 -19.268
  614   3HZ   LYS  83          2HZ       LYS  83   0.705 -19.303 -19.303
  615    H    GLU  84           H        GLU  84  -2.677 -12.478 -12.478
  616    HA   GLU  84           HA       GLU  84  -5.257 -12.227 -12.227
  617   1HB   GLU  84          2HB       GLU  84  -3.879 -10.942 -10.942
  618   2HB   GLU  84          1HB       GLU  84  -5.493 -10.446 -10.446
  619   1HG   GLU  84          2HG       GLU  84  -4.862 -13.358 -13.358
  620   2HG   GLU  84          1HG       GLU  84  -5.287 -12.318 -12.318
  621    HA   PRO  85           HA       PRO  85  -3.641  -8.983  -8.983
  622   1HB   PRO  85          2HB       PRO  85  -5.863  -8.886  -8.886
  623   2HB   PRO  85          1HB       PRO  85  -4.592 -10.112 -10.112
  624   1HG   PRO  85          2HG       PRO  85  -7.251 -10.326 -10.326
  625   2HG   PRO  85          1HG       PRO  85  -6.394 -11.503 -11.503
  626   1HD   PRO  85          2HD       PRO  85  -6.489 -11.653 -11.653
  627   2HD   PRO  85          1HD       PRO  85  -5.136 -12.284 -12.284
  628    H    VAL  86           H        VAL  86  -5.274  -7.019  -7.019
  629    HA   VAL  86           HA       VAL  86  -6.718  -5.943  -5.943
  630    HB   VAL  86           HB       VAL  86  -4.719  -4.646  -4.646
  631   1HG1  VAL  86          2HG1      VAL  86  -6.772  -3.471  -3.471
  632   2HG1  VAL  86          1HG1      VAL  86  -5.193  -2.689  -2.689
  633   3HG1  VAL  86          3HG1      VAL  86  -6.180  -2.871  -2.871
  634   1HG2  VAL  86          1HG2      VAL  86  -4.505  -5.958  -5.958
  635   2HG2  VAL  86          3HG2      VAL  86  -3.250  -5.066  -5.066
  636   3HG2  VAL  86          2HG2      VAL  86  -4.283  -4.235  -4.235
  637    HA   PRO  87           HA       PRO  87  -9.738  -5.153  -5.153
  638   1HB   PRO  87          2HB       PRO  87 -11.707  -4.303  -4.303
  639   2HB   PRO  87          1HB       PRO  87 -11.271  -6.012  -6.012
  640   1HG   PRO  87          2HG       PRO  87 -10.777  -4.194  -4.194
  641   2HG   PRO  87          1HG       PRO  87 -10.770  -5.960  -5.960
  642   1HD   PRO  87          2HD       PRO  87  -8.530  -4.174  -4.174
  643   2HD   PRO  87          1HD       PRO  87  -8.516  -5.951  -5.951
  644    H    MET  88           H        MET  88 -11.536  -3.054  -3.054
  645    HA   MET  88           HA       MET  88  -9.785  -0.635  -0.635
  646   1HB   MET  88          2HB       MET  88 -11.742  -0.172  -0.172
  647   2HB   MET  88          1HB       MET  88 -10.002  -0.285  -0.285
  648   1HG   MET  88          2HG       MET  88 -10.798  -1.939  -1.939
  649   2HG   MET  88          1HG       MET  88 -10.454  -2.885  -2.885
  650   1HE   MET  88          2HE       MET  88 -12.860  -1.191  -1.191
  651   2HE   MET  88          1HE       MET  88 -12.823  -2.897  -2.897
  652   3HE   MET  88          3HE       MET  88 -14.325  -2.160  -2.160
  653    H    SER  89           H        SER  89 -12.316  -2.064  -2.064
  654    HA   SER  89           HA       SER  89 -13.936   0.454   0.454
  655   1HB   SER  89          2HB       SER  89 -14.613  -2.459  -2.459
  656   2HB   SER  89          1HB       SER  89 -15.734  -1.156  -1.156
  657    HG   SER  89           HG       SER  89 -16.184  -1.301  -1.301
  658    H    LEU  90           H        LEU  90 -12.832   1.379   1.379
  659    HA   LEU  90           HA       LEU  90 -12.045   0.143   0.143
  660   1HB   LEU  90          2HB       LEU  90 -12.238   2.723   2.723
  661   2HB   LEU  90          1HB       LEU  90 -13.095   2.814   2.814
  662    HG   LEU  90           HG       LEU  90 -10.282   1.756   1.756
  663   1HD1  LEU  90          2HD1      LEU  90 -11.130   4.385   4.385
  664   2HD1  LEU  90          1HD1      LEU  90 -10.744   4.069   4.069
  665   3HD1  LEU  90          3HD1      LEU  90  -9.517   3.832   3.832
  666   1HD2  LEU  90          2HD2      LEU  90 -11.798   0.770   0.770
  667   2HD2  LEU  90          1HD2      LEU  90 -10.220   1.393   1.393
  668   3HD2  LEU  90          3HD2      LEU  90 -11.669   2.359   2.359
  669    HA   PRO  91           HA       PRO  91 -16.305  -0.607  -0.607
  670   1HB   PRO  91          2HB       PRO  91 -15.733  -2.703  -2.703
  671   2HB   PRO  91          1HB       PRO  91 -15.903  -2.872  -2.872
  672   1HG   PRO  91          2HG       PRO  91 -13.489  -2.916  -2.916
  673   2HG   PRO  91          1HG       PRO  91 -13.777  -3.628  -3.628
  674   1HD   PRO  91          2HD       PRO  91 -12.362  -1.242  -1.242
  675   2HD   PRO  91          1HD       PRO  91 -12.821  -1.864  -1.864
  676    HA   PRO  92           HA       PRO  92 -16.475   1.361   1.361
  677   1HB   PRO  92          2HB       PRO  92 -18.320  -0.093  -0.093
  678   2HB   PRO  92          1HB       PRO  92 -18.750   0.972   0.972
  679   1HG   PRO  92          2HG       PRO  92 -18.414  -1.986  -1.986
  680   2HG   PRO  92          1HG       PRO  92 -19.624  -1.003  -1.003
  681   1HD   PRO  92          2HD       PRO  92 -17.468  -2.077  -2.077
  682   2HD   PRO  92          1HD       PRO  92 -18.229  -0.556  -0.556
  683    H    ALA  93           H        ALA  93 -15.276  -1.790  -1.790
  684    HA   ALA  93           HA       ALA  93 -14.831  -2.195  -2.195
  685   1HB   ALA  93          1HB       ALA  93 -15.099  -3.824  -3.824
  686   2HB   ALA  93          3HB       ALA  93 -13.339  -3.719  -3.719
  687   3HB   ALA  93          2HB       ALA  93 -14.246  -4.314  -4.314
  688    H    LEU  94           H        LEU  94 -13.468  -0.172  -0.172
  689    HA   LEU  94           HA       LEU  94 -10.881  -0.160  -0.160
  690   1HB   LEU  94          2HB       LEU  94 -11.290   0.018   0.018
  691   2HB   LEU  94          1HB       LEU  94  -9.735   0.111   0.111
  692    HG   LEU  94           HG       LEU  94 -10.996  -2.210  -2.210
  693   1HD1  LEU  94          1HD1      LEU  94 -12.316  -1.720  -1.720
  694   2HD1  LEU  94          3HD1      LEU  94 -10.888  -2.477  -2.477
  695   3HD1  LEU  94          2HD1      LEU  94 -11.868  -3.361  -3.361
  696   1HD2  LEU  94          1HD2      LEU  94  -8.817  -1.809  -1.809
  697   2HD2  LEU  94          3HD2      LEU  94  -8.582  -1.892  -1.892
  698   3HD2  LEU  94          2HD2      LEU  94  -9.118  -3.320  -3.320
  699    H    VAL  95           H        VAL  95 -13.311   1.634   1.634
  700    HA   VAL  95           HA       VAL  95 -12.124   4.131   4.131
  701    HB   VAL  95           HB       VAL  95 -14.934   3.702   3.702
  702   1HG1  VAL  95          2HG1      VAL  95 -13.540   5.663   5.663
  703   2HG1  VAL  95          1HG1      VAL  95 -15.292   5.454   5.454
  704   3HG1  VAL  95          3HG1      VAL  95 -14.509   5.998   5.998
  705   1HG2  VAL  95          3HG2      VAL  95 -13.737   3.044   3.044
  706   2HG2  VAL  95          2HG2      VAL  95 -14.633   1.967   1.967
  707   3HG2  VAL  95          1HG2      VAL  95 -15.467   3.283   3.283
  708    HA   PRO  96           HA       PRO  96 -11.214   5.001   5.001
  709   1HB   PRO  96          2HB       PRO  96  -9.839   7.317   7.317
  710   2HB   PRO  96          1HB       PRO  96  -9.118   5.704   5.704
  711   1HG   PRO  96          2HG       PRO  96 -10.251   7.512   7.512
  712   2HG   PRO  96          1HG       PRO  96  -8.794   6.505   6.505
  713   1HD   PRO  96          2HD       PRO  96 -11.113   5.779   5.779
  714   2HD   PRO  96          1HD       PRO  96  -9.967   4.595   4.595
  715    HA   PRO  97           HA       PRO  97 -14.192   8.076   8.076
  716   1HB   PRO  97          2HB       PRO  97 -12.974   9.660   9.660
  717   2HB   PRO  97          1HB       PRO  97 -13.509   8.001   8.001
  718   1HG   PRO  97          2HG       PRO  97 -10.783   9.023   9.023
  719   2HG   PRO  97          1HG       PRO  97 -11.291   7.767   7.767
  720   1HD   PRO  97          2HD       PRO  97 -10.199   7.232   7.232
  721   2HD   PRO  97          1HD       PRO  97 -11.322   6.138   6.138
  722    H    SER  98           H        SER  98 -11.403   8.961   8.961
  723    HA   SER  98           HA       SER  98 -11.822  11.858  11.858
  724   1HB   SER  98          2HB       SER  98  -9.666  10.432  10.432
  725   2HB   SER  98          1HB       SER  98 -10.273  10.210  10.210
  726    HG   SER  98           HG       SER  98 -10.261  12.793  12.793
  727    H    LYS  99           H        LYS  99 -12.956   9.088   9.088
  728    HA   LYS  99           HA       LYS  99 -13.971  10.723  10.723
  729   1HB   LYS  99          2HB       LYS  99 -12.947   8.337   8.337
  730   2HB   LYS  99          1HB       LYS  99 -14.510   7.809   7.809
  731   1HG   LYS  99          2HG       LYS  99 -15.200   7.742   7.742
  732   2HG   LYS  99          1HG       LYS  99 -15.184   9.506   9.506
  733   1HD   LYS  99          2HD       LYS  99 -13.069   9.644   9.644
  734   2HD   LYS  99          1HD       LYS  99 -12.653   7.985   7.985
  735   1HE   LYS  99          2HE       LYS  99 -14.645   7.321   7.321
  736   2HE   LYS  99          1HE       LYS  99 -14.454   8.958   8.958
  737   1HZ   LYS  99          3HZ       LYS  99 -11.918   8.217   8.217
  738   2HZ   LYS  99          2HZ       LYS  99 -12.623   6.693   6.693
  739   3HZ   LYS  99          1HZ       LYS  99 -12.863   7.942   7.942
  740    H    ARG 100           H        ARG 100 -14.937  10.322  10.322
  741    HA   ARG 100           HA       ARG 100 -17.674   9.510   9.510
  742   1HB   ARG 100          2HB       ARG 100 -16.239  11.481  11.481
  743   2HB   ARG 100          1HB       ARG 100 -17.797  10.733  10.733
  744   1HG   ARG 100          2HG       ARG 100 -15.593   8.880   8.880
  745   2HG   ARG 100          1HG       ARG 100 -15.448   9.684   9.684
  746   1HD   ARG 100          2HD       ARG 100 -16.889   8.146   8.146
  747   2HD   ARG 100          1HD       ARG 100 -18.150   8.853   8.853
  748    HE   ARG 100           HE       ARG 100 -17.380   7.288   7.288
  749   1HH1  ARG 100          1HH2      ARG 100 -17.872   6.219   6.219
  750   2HH1  ARG 100          2HH2      ARG 100 -16.948   4.760   4.760
  751   1HH2  ARG 100          2HH1      ARG 100 -15.570   5.615   5.615
  752   2HH2  ARG 100          1HH1      ARG 100 -15.646   4.418   4.418

  Start of MODEL    8
    1    HA   PRO   6           HA       PRO   6 -14.281  -2.436  -2.436
    2   1HB   PRO   6          2HB       PRO   6 -11.878  -3.676  -3.676
    3   2HB   PRO   6          1HB       PRO   6 -13.264  -3.848  -3.848
    4   1HG   PRO   6          2HG       PRO   6 -12.276  -5.708  -5.708
    5   2HG   PRO   6          1HG       PRO   6 -12.925  -6.066  -6.066
    6   1HD   PRO   6          2HD       PRO   6 -14.375  -6.332  -6.332
    7   2HD   PRO   6          1HD       PRO   6 -15.101  -5.961  -5.961
    8    H    TRP   7           H        TRP   7 -11.668  -1.847  -1.847
    9    HA   TRP   7           HA       TRP   7 -11.681  -1.094  -1.094
   10   1HB   TRP   7          2HB       TRP   7 -10.721   0.212   0.212
   11   2HB   TRP   7          1HB       TRP   7  -9.463  -1.015  -1.015
   12    HD1  TRP   7           HD1      TRP   7 -10.591  -0.301  -0.301
   13    HE1  TRP   7           HE1      TRP   7  -8.767   0.997   0.997
   14    HE3  TRP   7           HE3      TRP   7  -7.497   0.865   0.865
   15    HZ2  TRP   7           HZ2      TRP   7  -6.311   2.364   2.364
   16    HZ3  TRP   7           HZ3      TRP   7  -5.423   2.165   2.165
   17    HH2  TRP   7           HH2      TRP   7  -4.827   2.916   2.916
   18    H    ALA   8           H        ALA   8 -10.933  -2.312  -2.312
   19    HA   ALA   8           HA       ALA   8 -10.070  -4.954  -4.954
   20   1HB   ALA   8          3HB       ALA   8  -9.407  -2.676  -2.676
   21   2HB   ALA   8          2HB       ALA   8  -9.029  -4.361  -4.361
   22   3HB   ALA   8          1HB       ALA   8 -10.711  -3.858  -3.858
   23    H    VAL   9           H        VAL   9  -8.228  -2.052  -2.052
   24    HA   VAL   9           HA       VAL   9  -5.640  -3.488  -3.488
   25    HB   VAL   9           HB       VAL   9  -6.538  -0.668  -0.668
   26   1HG1  VAL   9          3HG1      VAL   9  -4.179  -1.957  -1.957
   27   2HG1  VAL   9          2HG1      VAL   9  -3.704  -0.917  -0.917
   28   3HG1  VAL   9          1HG1      VAL   9  -4.539  -0.232  -0.232
   29   1HG2  VAL   9          2HG2      VAL   9  -6.598  -1.395  -1.395
   30   2HG2  VAL   9          1HG2      VAL   9  -5.382  -0.146  -0.146
   31   3HG2  VAL   9          3HG2      VAL   9  -4.891  -1.832  -1.832
   32    H    LYS  10           H        LYS  10  -4.410  -3.947  -3.947
   33    HA   LYS  10           HA       LYS  10  -5.972  -4.051  -4.051
   34   1HB   LYS  10          2HB       LYS  10  -3.464  -5.387  -5.387
   35   2HB   LYS  10          1HB       LYS  10  -4.064  -5.638  -5.638
   36   1HG   LYS  10          2HG       LYS  10  -6.251  -6.385  -6.385
   37   2HG   LYS  10          1HG       LYS  10  -5.532  -6.263  -6.263
   38   1HD   LYS  10          2HD       LYS  10  -3.705  -7.832  -7.832
   39   2HD   LYS  10          1HD       LYS  10  -4.722  -8.114  -8.114
   40   1HE   LYS  10          2HE       LYS  10  -6.142  -9.460  -9.460
   41   2HE   LYS  10          1HE       LYS  10  -6.179  -8.349  -8.349
   42   1HZ   LYS  10          2HZ       LYS  10  -3.821 -10.017 -10.017
   43   2HZ   LYS  10          1HZ       LYS  10  -5.015 -10.518 -10.518
   44   3HZ   LYS  10          3HZ       LYS  10  -4.090  -9.135  -9.135
   45    HA   PRO  11           HA       PRO  11  -3.494  -1.021  -1.021
   46   1HB   PRO  11          2HB       PRO  11  -2.878  -2.198  -2.198
   47   2HB   PRO  11          1HB       PRO  11  -4.492  -1.560  -1.560
   48   1HG   PRO  11          2HG       PRO  11  -3.495  -4.370  -4.370
   49   2HG   PRO  11          1HG       PRO  11  -5.044  -3.745  -3.745
   50   1HD   PRO  11          2HD       PRO  11  -4.791  -4.908  -4.908
   51   2HD   PRO  11          1HD       PRO  11  -5.939  -3.585  -3.585
   52    H    GLU  12           H        GLU  12  -2.211  -4.313  -4.313
   53    HA   GLU  12           HA       GLU  12   0.560  -3.520  -3.520
   54   1HB   GLU  12          2HB       GLU  12   0.942  -5.916  -5.916
   55   2HB   GLU  12          1HB       GLU  12  -0.349  -5.724  -5.724
   56   1HG   GLU  12          2HG       GLU  12  -1.916  -6.543  -6.543
   57   2HG   GLU  12          1HG       GLU  12  -1.302  -5.595  -5.595
   58    H    ASP  13           H        ASP  13  -1.560  -3.830  -3.830
   59    HA   ASP  13           HA       ASP  13   0.590  -3.912  -3.912
   60   1HB   ASP  13          2HB       ASP  13  -2.373  -3.954  -3.954
   61   2HB   ASP  13          1HB       ASP  13  -1.705  -3.221  -3.221
   62    H    LYS  14           H        LYS  14  -1.636  -1.544  -1.544
   63    HA   LYS  14           HA       LYS  14  -0.907   0.676   0.676
   64   1HB   LYS  14          2HB       LYS  14  -2.928   0.657   0.657
   65   2HB   LYS  14          1HB       LYS  14  -1.988   0.435   0.435
   66   1HG   LYS  14          2HG       LYS  14  -2.615   2.773   2.773
   67   2HG   LYS  14          1HG       LYS  14  -0.879   2.641   2.641
   68   1HD   LYS  14          2HD       LYS  14  -1.125   2.941   2.941
   69   2HD   LYS  14          1HD       LYS  14  -2.855   2.602   2.602
   70   1HE   LYS  14          2HE       LYS  14  -2.523   5.020   5.020
   71   2HE   LYS  14          1HE       LYS  14  -3.149   4.700   4.700
   72   1HZ   LYS  14          1HZ       LYS  14  -0.268   4.512   4.512
   73   2HZ   LYS  14          3HZ       LYS  14  -0.911   6.075   6.075
   74   3HZ   LYS  14          2HZ       LYS  14  -1.179   5.170   5.170
   75    H    ALA  15           H        ALA  15   0.649  -0.963  -0.963
   76    HA   ALA  15           HA       ALA  15   2.386   1.209   1.209
   77   1HB   ALA  15          1HB       ALA  15   2.467  -1.819  -1.819
   78   2HB   ALA  15          3HB       ALA  15   3.569  -0.732  -0.732
   79   3HB   ALA  15          2HB       ALA  15   1.842  -0.681  -0.681
   80    H    LYS  16           H        LYS  16   2.700  -1.620  -1.620
   81    HA   LYS  16           HA       LYS  16   5.405  -0.900  -0.900
   82   1HB   LYS  16          2HB       LYS  16   5.326  -2.975  -2.975
   83   2HB   LYS  16          1HB       LYS  16   3.970  -3.181  -3.181
   84   1HG   LYS  16          2HG       LYS  16   2.409  -2.500  -2.500
   85   2HG   LYS  16          1HG       LYS  16   3.760  -2.241  -2.241
   86   1HD   LYS  16          2HD       LYS  16   3.302  -4.396  -4.396
   87   2HD   LYS  16          1HD       LYS  16   4.290  -4.779  -4.779
   88   1HE   LYS  16          2HE       LYS  16   2.229  -4.878  -4.878
   89   2HE   LYS  16          1HE       LYS  16   1.257  -4.583  -4.583
   90   1HZ   LYS  16          3HZ       LYS  16   2.843  -6.507  -6.507
   91   2HZ   LYS  16          2HZ       LYS  16   2.791  -6.945  -6.945
   92   3HZ   LYS  16          1HZ       LYS  16   1.352  -6.828  -6.828
   93    H    TYR  17           H        TYR  17   2.181  -0.046  -0.046
   94    HA   TYR  17           HA       TYR  17   2.761   0.872   0.872
   95   1HB   TYR  17          2HB       TYR  17   0.481   1.251   1.251
   96   2HB   TYR  17          1HB       TYR  17   0.451   1.892   1.892
   97    HD1  TYR  17           HD1      TYR  17   2.288  -1.160  -1.160
   98    HD2  TYR  17           HD2      TYR  17  -1.702   0.412   0.412
   99    HE1  TYR  17           HE1      TYR  17   1.465  -3.347  -3.347
  100    HE2  TYR  17           HE2      TYR  17  -2.532  -1.774  -1.774
  101    HH   TYR  17           HH       TYR  17  -0.489  -4.193  -4.193
  102    H    ASP  18           H        ASP  18   2.585   2.154   2.154
  103    HA   ASP  18           HA       ASP  18   2.861   4.963   4.963
  104   1HB   ASP  18          2HB       ASP  18   1.669   4.279   4.279
  105   2HB   ASP  18          1HB       ASP  18   3.108   3.457   3.457
  106    H    ALA  19           H        ALA  19   5.006   2.337   2.337
  107    HA   ALA  19           HA       ALA  19   7.354   4.048   4.048
  108   1HB   ALA  19          3HB       ALA  19   6.888   1.684   1.684
  109   2HB   ALA  19          2HB       ALA  19   7.263   1.096   1.096
  110   3HB   ALA  19          1HB       ALA  19   8.492   1.947   1.947
  111    H    ILE  20           H        ILE  20   5.763   2.289   2.289
  112    HA   ILE  20           HA       ILE  20   7.851   2.705   2.705
  113    HB   ILE  20           HB       ILE  20   4.977   1.738   1.738
  114   1HG1  ILE  20          2HG1      ILE  20   7.479   0.206   0.206
  115   2HG1  ILE  20          1HG1      ILE  20   6.923   0.344   0.344
  116   1HG2  ILE  20          1HG2      ILE  20   5.438   2.832   2.832
  117   2HG2  ILE  20          3HG2      ILE  20   6.869   1.825   1.825
  118   3HG2  ILE  20          2HG2      ILE  20   5.267   1.089   1.089
  119   1HD1  ILE  20          1HD1      ILE  20   4.694  -0.548  -0.548
  120   2HD1  ILE  20          3HD1      ILE  20   5.371  -0.815  -0.815
  121   3HD1  ILE  20          2HD1      ILE  20   6.011  -1.701  -1.701
  122    H    PHE  21           H        PHE  21   4.845   4.157   4.157
  123    HA   PHE  21           HA       PHE  21   4.534   6.057   6.057
  124   1HB   PHE  21          2HB       PHE  21   2.560   5.719   5.719
  125   2HB   PHE  21          1HB       PHE  21   3.392   5.449   5.449
  126    HD1  PHE  21           HD2      PHE  21   4.433   7.466   7.466
  127    HD2  PHE  21           HD1      PHE  21   1.605   7.828   7.828
  128    HE1  PHE  21           HE2      PHE  21   3.952   9.796   9.796
  129    HE2  PHE  21           HE1      PHE  21   1.123  10.162  10.162
  130    HZ   PHE  21           HZ       PHE  21   2.299  11.143  11.143
  131    H    ASP  22           H        ASP  22   6.036   6.091   6.091
  132    HA   ASP  22           HA       ASP  22   6.919   8.893   8.893
  133   1HB   ASP  22          2HB       ASP  22   6.134   8.114   8.114
  134   2HB   ASP  22          1HB       ASP  22   7.247   6.743   6.743
  135    H    SER  23           H        SER  23   7.956   6.001   6.001
  136    HA   SER  23           HA       SER  23  10.863   6.475   6.475
  137   1HB   SER  23          2HB       SER  23   9.051   4.292   4.292
  138   2HB   SER  23          1HB       SER  23  10.651   4.332   4.332
  139    HG   SER  23           HG       SER  23   9.962   3.451   3.451
  140    H    LEU  24           H        LEU  24   8.458   7.630   7.630
  141    HA   LEU  24           HA       LEU  24  10.155   7.872   7.872
  142   1HB   LEU  24          2HB       LEU  24   7.313   8.724   8.724
  143   2HB   LEU  24          1HB       LEU  24   8.184   7.750   7.750
  144    HG   LEU  24           HG       LEU  24   7.239   6.734   6.734
  145   1HD1  LEU  24          2HD1      LEU  24   5.663   7.355   7.355
  146   2HD1  LEU  24          1HD1      LEU  24   5.980   5.631   5.631
  147   3HD1  LEU  24          3HD1      LEU  24   5.235   6.231   6.231
  148   1HD2  LEU  24          1HD2      LEU  24   8.882   5.671   5.671
  149   2HD2  LEU  24          3HD2      LEU  24   8.763   5.130   5.130
  150   3HD2  LEU  24          2HD2      LEU  24   7.567   4.603   4.603
  151    H    SER  25           H        SER  25   9.184   9.475   9.475
  152    HA   SER  25           HA       SER  25   9.644  11.711  11.711
  153   1HB   SER  25          2HB       SER  25  10.907  13.019  13.019
  154   2HB   SER  25          1HB       SER  25  11.118  11.484  11.484
  155    HG   SER  25           HG       SER  25  10.190  12.422  12.422
  156    HA   PRO  26           HA       PRO  26   5.254  12.192  12.192
  157   1HB   PRO  26          2HB       PRO  26   4.466  12.754  12.754
  158   2HB   PRO  26          1HB       PRO  26   4.674  11.097  11.097
  159   1HG   PRO  26          2HG       PRO  26   6.508  12.751  12.751
  160   2HG   PRO  26          1HG       PRO  26   6.122  11.027  11.027
  161   1HD   PRO  26          2HD       PRO  26   8.409  11.961  11.961
  162   2HD   PRO  26          1HD       PRO  26   7.629  10.439  10.439
  163    H    VAL  27           H        VAL  27   4.118  14.115  14.115
  164    HA   VAL  27           HA       VAL  27   5.509  16.619  16.619
  165    HB   VAL  27           HB       VAL  27   3.823  16.001  16.001
  166   1HG1  VAL  27          2HG1      VAL  27   4.201  18.457  18.457
  167   2HG1  VAL  27          1HG1      VAL  27   5.437  18.440  18.440
  168   3HG1  VAL  27          3HG1      VAL  27   3.740  18.218  18.218
  169   1HG2  VAL  27          2HG2      VAL  27   6.795  16.432  16.432
  170   2HG2  VAL  27          1HG2      VAL  27   6.006  14.968  14.968
  171   3HG2  VAL  27          3HG2      VAL  27   6.026  16.420  16.420
  172    H    ASN  28           H        ASN  28   4.307  17.208  17.208
  173    HA   ASN  28           HA       ASN  28   2.428  17.903  17.903
  174   1HB   ASN  28          2HB       ASN  28   2.195  19.483  19.483
  175   2HB   ASN  28          1HB       ASN  28   1.470  18.252  18.252
  176   1HD2  ASN  28          1HD2      ASN  28  -0.791  17.999  17.999
  177   2HD2  ASN  28          2HD2      ASN  28  -1.775  18.756  18.756
  178    H    GLY  29           H        GLY  29   2.760  15.027  15.027
  179   1HA   GLY  29          2HA       GLY  29   1.495  13.108  13.108
  180   2HA   GLY  29          1HA       GLY  29   0.061  14.128  14.128
  181    H    PHE  30           H        PHE  30   2.264  13.897  13.897
  182    HA   PHE  30           HA       PHE  30   0.213  12.411  12.411
  183   1HB   PHE  30          2HB       PHE  30   1.165  15.237  15.237
  184   2HB   PHE  30          1HB       PHE  30   0.317  14.277  14.277
  185    HD1  PHE  30           HD2      PHE  30  -1.985  13.487  13.487
  186    HD2  PHE  30           HD1      PHE  30   0.018  16.136  16.136
  187    HE1  PHE  30           HE2      PHE  30  -4.162  14.048  14.048
  188    HE2  PHE  30           HE1      PHE  30  -2.144  16.696  16.696
  189    HZ   PHE  30           HZ       PHE  30  -4.242  15.655  15.655
  190    H    LEU  31           H        LEU  31   1.020  11.613  11.613
  191    HA   LEU  31           HA       LEU  31   3.995  11.797  11.797
  192   1HB   LEU  31          2HB       LEU  31   2.144   9.393   9.393
  193   2HB   LEU  31          1HB       LEU  31   3.787   9.360   9.360
  194    HG   LEU  31           HG       LEU  31   3.177  10.220  10.220
  195   1HD1  LEU  31          1HD1      LEU  31   3.687   7.484   7.484
  196   2HD1  LEU  31          3HD1      LEU  31   4.116   7.858   7.858
  197   3HD1  LEU  31          2HD1      LEU  31   2.437   7.972   7.972
  198   1HD2  LEU  31          3HD2      LEU  31   5.628   9.523   9.523
  199   2HD2  LEU  31          2HD2      LEU  31   5.328  10.959  10.959
  200   3HD2  LEU  31          1HD2      LEU  31   5.648   9.406   9.406
  201    H    SER  32           H        SER  32   4.565  12.230  12.230
  202    HA   SER  32           HA       SER  32   2.450  12.839  12.839
  203   1HB   SER  32          2HB       SER  32   4.188  13.896  13.896
  204   2HB   SER  32          1HB       SER  32   4.740  13.993  13.993
  205    HG   SER  32           HG       SER  32   5.690  12.491  12.491
  206    H    GLY  33           H        GLY  33   1.945  11.704  11.704
  207   1HA   GLY  33          2HA       GLY  33   2.288   8.922   8.922
  208   2HA   GLY  33          1HA       GLY  33   1.939   9.934   9.934
  209    H    ASP  34           H        ASP  34   4.492  11.485  11.485
  210    HA   ASP  34           HA       ASP  34   6.284   9.778   9.778
  211   1HB   ASP  34          2HB       ASP  34   5.852  12.293  12.293
  212   2HB   ASP  34          1HB       ASP  34   6.802  12.491  12.491
  213    H    LYS  35           H        LYS  35   5.629  10.277  10.277
  214    HA   LYS  35           HA       LYS  35   8.374   9.645   9.645
  215   1HB   LYS  35          2HB       LYS  35   7.129  11.436  11.436
  216   2HB   LYS  35          1HB       LYS  35   5.718  10.400  10.400
  217   1HG   LYS  35          2HG       LYS  35   6.816   9.025   9.025
  218   2HG   LYS  35          1HG       LYS  35   8.384   9.760   9.760
  219   1HD   LYS  35          2HD       LYS  35   5.984  11.136  11.136
  220   2HD   LYS  35          1HD       LYS  35   7.494  10.728  10.728
  221   1HE   LYS  35          2HE       LYS  35   8.273  12.764  12.764
  222   2HE   LYS  35          1HE       LYS  35   8.244  12.184  12.184
  223   1HZ   LYS  35          1HZ       LYS  35   5.707  12.974  12.974
  224   2HZ   LYS  35          3HZ       LYS  35   6.765  14.212  14.212
  225   3HZ   LYS  35          2HZ       LYS  35   6.207  13.093  13.093
  226    H    VAL  36           H        VAL  36   5.048   8.506   8.506
  227    HA   VAL  36           HA       VAL  36   5.644   5.966   5.966
  228    HB   VAL  36           HB       VAL  36   3.251   7.091   7.091
  229   1HG1  VAL  36          2HG1      VAL  36   3.540   4.659   4.659
  230   2HG1  VAL  36          1HG1      VAL  36   1.991   5.341   5.341
  231   3HG1  VAL  36          3HG1      VAL  36   3.088   4.673   4.673
  232   1HG2  VAL  36          1HG2      VAL  36   4.142   7.107   7.107
  233   2HG2  VAL  36          3HG2      VAL  36   3.662   8.472   8.472
  234   3HG2  VAL  36          2HG2      VAL  36   2.448   7.324   7.324
  235    H    LYS  37           H        LYS  37   5.167   7.111   7.111
  236    HA   LYS  37           HA       LYS  37   4.650   4.878   4.878
  237   1HB   LYS  37          2HB       LYS  37   6.103   7.368   7.368
  238   2HB   LYS  37          1HB       LYS  37   6.846   6.099   6.099
  239   1HG   LYS  37          2HG       LYS  37   4.446   5.536   5.536
  240   2HG   LYS  37          1HG       LYS  37   4.007   7.113   7.113
  241   1HD   LYS  37          2HD       LYS  37   4.801   8.120   8.120
  242   2HD   LYS  37          1HD       LYS  37   6.390   7.410   7.410
  243   1HE   LYS  37          2HE       LYS  37   5.261   5.235   5.235
  244   2HE   LYS  37          1HE       LYS  37   4.167   6.420   6.420
  245   1HZ   LYS  37          2HZ       LYS  37   6.401   7.673   7.673
  246   2HZ   LYS  37          1HZ       LYS  37   7.069   6.114   6.114
  247   3HZ   LYS  37          3HZ       LYS  37   5.886   6.449   6.449
  248    HA   PRO  38           HA       PRO  38   9.246   3.405   3.405
  249   1HB   PRO  38          2HB       PRO  38  10.743   4.403   4.403
  250   2HB   PRO  38          1HB       PRO  38  10.725   5.122   5.122
  251   1HG   PRO  38          2HG       PRO  38   9.218   5.930   5.930
  252   2HG   PRO  38          1HG       PRO  38  10.063   6.942   6.942
  253   1HD   PRO  38          2HD       PRO  38   7.405   6.669   6.669
  254   2HD   PRO  38          1HD       PRO  38   8.347   6.787   6.787
  255    H    VAL  39           H        VAL  39   7.483   4.208   4.208
  256    HA   VAL  39           HA       VAL  39   8.362   1.870   1.870
  257    HB   VAL  39           HB       VAL  39   6.360   4.112   4.112
  258   1HG1  VAL  39          3HG1      VAL  39   6.276   1.500   1.500
  259   2HG1  VAL  39          2HG1      VAL  39   6.189   2.902   2.902
  260   3HG1  VAL  39          1HG1      VAL  39   5.003   2.698   2.698
  261   1HG2  VAL  39          2HG2      VAL  39   8.996   3.902   3.902
  262   2HG2  VAL  39          1HG2      VAL  39   7.860   4.986   4.986
  263   3HG2  VAL  39          3HG2      VAL  39   8.234   3.413   3.413
  264    H    LEU  40           H        LEU  40   6.069   2.417   2.417
  265    HA   LEU  40           HA       LEU  40   4.381   0.115   0.115
  266   1HB   LEU  40          2HB       LEU  40   4.195   2.277   2.277
  267   2HB   LEU  40          1HB       LEU  40   3.058   0.929   0.929
  268    HG   LEU  40           HG       LEU  40   3.614   2.829   2.829
  269   1HD1  LEU  40          3HD1      LEU  40   1.328   2.663   2.663
  270   2HD1  LEU  40          2HD1      LEU  40   1.270   3.609   3.609
  271   3HD1  LEU  40          1HD1      LEU  40   2.437   4.016   4.016
  272   1HD2  LEU  40          2HD2      LEU  40   1.598   0.601   0.601
  273   2HD2  LEU  40          1HD2      LEU  40   2.918   0.634   0.634
  274   3HD2  LEU  40          3HD2      LEU  40   1.563   1.749   1.749
  275    H    LEU  41           H        LEU  41   6.986   0.958   0.958
  276    HA   LEU  41           HA       LEU  41   6.551  -1.268  -1.268
  277   1HB   LEU  41          2HB       LEU  41   8.685   0.839   0.839
  278   2HB   LEU  41          1HB       LEU  41   8.740  -0.360  -0.360
  279    HG   LEU  41           HG       LEU  41   6.144   0.966   0.966
  280   1HD1  LEU  41          1HD1      LEU  41   8.152   2.663   2.663
  281   2HD1  LEU  41          3HD1      LEU  41   8.218   2.762   2.762
  282   3HD1  LEU  41          2HD1      LEU  41   6.724   3.158   3.158
  283   1HD2  LEU  41          3HD2      LEU  41   7.660  -0.391  -0.391
  284   2HD2  LEU  41          2HD2      LEU  41   6.206   0.541   0.541
  285   3HD2  LEU  41          1HD2      LEU  41   7.798   1.282   1.282
  286    H    ASN  42           H        ASN  42   8.574  -0.464  -0.464
  287    HA   ASN  42           HA       ASN  42  10.388  -2.683  -2.683
  288   1HB   ASN  42          2HB       ASN  42  11.088  -2.073  -2.073
  289   2HB   ASN  42          1HB       ASN  42  10.591  -0.566  -0.566
  290   1HD2  ASN  42          1HD2      ASN  42   8.459   0.299   0.299
  291   2HD2  ASN  42          2HD2      ASN  42   7.721  -0.136  -0.136
  292    H    SER  43           H        SER  43   7.084  -2.562  -2.562
  293    HA   SER  43           HA       SER  43   6.868  -4.814  -4.814
  294   1HB   SER  43          2HB       SER  43   4.891  -3.457  -3.457
  295   2HB   SER  43          1HB       SER  43   4.474  -4.532  -4.532
  296    HG   SER  43           HG       SER  43   4.810  -1.959  -1.959
  297    H    LYS  44           H        LYS  44   8.004  -4.769  -4.769
  298    HA   LYS  44           HA       LYS  44   8.249  -6.463  -6.463
  299   1HB   LYS  44          2HB       LYS  44   7.568  -7.701  -7.701
  300   2HB   LYS  44          1HB       LYS  44   6.791  -8.588  -8.588
  301   1HG   LYS  44          2HG       LYS  44   9.671  -7.778  -7.778
  302   2HG   LYS  44          1HG       LYS  44   9.252  -9.200  -9.200
  303   1HD   LYS  44          2HD       LYS  44   8.943 -10.417 -10.417
  304   2HD   LYS  44          1HD       LYS  44   7.782  -9.239  -9.239
  305   1HE   LYS  44          2HE       LYS  44   9.938  -7.830  -7.830
  306   2HE   LYS  44          1HE       LYS  44  10.742  -9.410  -9.410
  307   1HZ   LYS  44          3HZ       LYS  44   8.991 -10.280 -10.280
  308   2HZ   LYS  44          2HZ       LYS  44   8.346  -8.715  -8.715
  309   3HZ   LYS  44          1HZ       LYS  44   9.899  -9.055  -9.055
  310    H    LEU  45           H        LEU  45   5.646  -4.790  -4.790
  311    HA   LEU  45           HA       LEU  45   3.679  -6.458  -6.458
  312   1HB   LEU  45          2HB       LEU  45   3.656  -4.032  -4.032
  313   2HB   LEU  45          1HB       LEU  45   2.320  -4.274  -4.274
  314    HG   LEU  45           HG       LEU  45   3.270  -6.356  -6.356
  315   1HD1  LEU  45          2HD1      LEU  45   1.959  -4.016  -4.016
  316   2HD1  LEU  45          1HD1      LEU  45   0.616  -5.125  -5.125
  317   3HD1  LEU  45          3HD1      LEU  45   1.841  -5.504  -5.504
  318   1HD2  LEU  45          1HD2      LEU  45   1.904  -6.771  -6.771
  319   2HD2  LEU  45          3HD2      LEU  45   1.621  -7.718  -7.718
  320   3HD2  LEU  45          2HD2      LEU  45   0.562  -6.366  -6.366
  321    HA   PRO  46           HA       PRO  46   4.365  -4.142  -4.142
  322   1HB   PRO  46          2HB       PRO  46   1.954  -4.557  -4.557
  323   2HB   PRO  46          1HB       PRO  46   3.214  -5.801  -5.801
  324   1HG   PRO  46          2HG       PRO  46   0.714  -5.493  -5.493
  325   2HG   PRO  46          1HG       PRO  46   1.563  -6.959  -6.959
  326   1HD   PRO  46          2HD       PRO  46   1.644  -5.872  -5.872
  327   2HD   PRO  46          1HD       PRO  46   2.841  -7.001  -7.001
  328    H    VAL  47           H        VAL  47   3.581  -2.180  -2.180
  329    HA   VAL  47           HA       VAL  47   2.698  -0.121  -0.121
  330    HB   VAL  47           HB       VAL  47   2.931  -0.492  -0.492
  331   1HG1  VAL  47          2HG1      VAL  47   1.586   1.698   1.698
  332   2HG1  VAL  47          1HG1      VAL  47   2.714   2.195   2.195
  333   3HG1  VAL  47          3HG1      VAL  47   1.346   1.155   1.155
  334   1HG2  VAL  47          3HG2      VAL  47   4.877  -0.182  -0.182
  335   2HG2  VAL  47          2HG2      VAL  47   4.906   0.748   0.748
  336   3HG2  VAL  47          1HG2      VAL  47   4.367   1.506   1.506
  337    H    ASP  48           H        ASP  48   0.843  -2.584  -2.584
  338    HA   ASP  48           HA       ASP  48  -1.603  -1.077  -1.077
  339   1HB   ASP  48          2HB       ASP  48  -0.553  -3.707  -3.707
  340   2HB   ASP  48          1HB       ASP  48  -2.067  -3.833  -3.833
  341    H    ILE  49           H        ILE  49  -0.269  -3.157  -3.157
  342    HA   ILE  49           HA       ILE  49  -2.512  -3.033  -3.033
  343    HB   ILE  49           HB       ILE  49   0.418  -3.244  -3.244
  344   1HG1  ILE  49          2HG1      ILE  49   0.216  -4.759  -4.759
  345   2HG1  ILE  49          1HG1      ILE  49   0.010  -5.751  -5.751
  346   1HG2  ILE  49          3HG2      ILE  49  -2.191  -4.046  -4.046
  347   2HG2  ILE  49          2HG2      ILE  49  -0.774  -5.048  -5.048
  348   3HG2  ILE  49          1HG2      ILE  49  -0.765  -3.342  -3.342
  349   1HD1  ILE  49          3HD1      ILE  49  -2.257  -4.604  -4.604
  350   2HD1  ILE  49          2HD1      ILE  49  -1.691  -6.272  -6.272
  351   3HD1  ILE  49          1HD1      ILE  49  -2.425  -5.655  -5.655
  352    H    LEU  50           H        LEU  50   0.469  -1.193  -1.193
  353    HA   LEU  50           HA       LEU  50   0.050   0.649   0.649
  354   1HB   LEU  50          2HB       LEU  50   1.472   1.236   1.236
  355   2HB   LEU  50          1HB       LEU  50   1.900   1.787   1.787
  356    HG   LEU  50           HG       LEU  50   2.281  -0.934  -0.934
  357   1HD1  LEU  50          2HD1      LEU  50   3.920   1.287   1.287
  358   2HD1  LEU  50          1HD1      LEU  50   4.418  -0.264  -0.264
  359   3HD1  LEU  50          3HD1      LEU  50   4.350  -0.043  -0.043
  360   1HD2  LEU  50          1HD2      LEU  50   1.769  -0.252  -0.252
  361   2HD2  LEU  50          3HD2      LEU  50   1.368  -1.719  -1.719
  362   3HD2  LEU  50          2HD2      LEU  50   3.022  -1.440  -1.440
  363    H    GLY  51           H        GLY  51  -1.320   0.376   0.376
  364   1HA   GLY  51          2HA       GLY  51  -2.228   3.180   3.180
  365   2HA   GLY  51          1HA       GLY  51  -2.595   1.948   1.948
  366    H    ARG  52           H        ARG  52  -3.422  -0.004  -0.004
  367    HA   ARG  52           HA       ARG  52  -6.177   1.004   1.004
  368   1HB   ARG  52          2HB       ARG  52  -5.127  -1.336  -1.336
  369   2HB   ARG  52          1HB       ARG  52  -5.372  -1.732  -1.732
  370   1HG   ARG  52          2HG       ARG  52  -7.728  -0.802  -0.802
  371   2HG   ARG  52          1HG       ARG  52  -7.438  -0.785  -0.785
  372   1HD   ARG  52          2HD       ARG  52  -7.047  -3.273  -3.273
  373   2HD   ARG  52          1HD       ARG  52  -8.570  -2.893  -2.893
  374    HE   ARG  52           HE       ARG  52  -6.618  -2.548  -2.548
  375   1HH1  ARG  52          1HH2      ARG  52  -8.803  -4.710  -4.710
  376   2HH1  ARG  52          2HH2      ARG  52  -7.845  -6.142  -6.142
  377   1HH2  ARG  52          2HH1      ARG  52  -4.853  -4.548  -4.548
  378   2HH2  ARG  52          1HH1      ARG  52  -5.608  -6.049  -6.049
  379    H    VAL  53           H        VAL  53  -3.677  -0.726  -0.726
  380    HA   VAL  53           HA       VAL  53  -4.876  -0.532  -0.532
  381    HB   VAL  53           HB       VAL  53  -2.010  -0.479  -0.479
  382   1HG1  VAL  53          3HG1      VAL  53  -2.935   0.288   0.288
  383   2HG1  VAL  53          2HG1      VAL  53  -2.240  -1.324  -1.324
  384   3HG1  VAL  53          1HG1      VAL  53  -1.272  -0.009  -0.009
  385   1HG2  VAL  53          2HG2      VAL  53  -3.448  -2.522  -2.522
  386   2HG2  VAL  53          1HG2      VAL  53  -2.038  -2.806  -2.806
  387   3HG2  VAL  53          3HG2      VAL  53  -3.633  -2.607  -2.607
  388    H    TRP  54           H        TRP  54  -3.094   1.873   1.873
  389    HA   TRP  54           HA       TRP  54  -2.854   3.817   3.817
  390   1HB   TRP  54          2HB       TRP  54  -1.390   3.918   3.918
  391   2HB   TRP  54          1HB       TRP  54  -2.758   3.936   3.936
  392    HD1  TRP  54           HD1      TRP  54  -4.356   6.142   6.142
  393    HE1  TRP  54           HE1      TRP  54  -3.773   8.590   8.590
  394    HE3  TRP  54           HE3      TRP  54   0.131   5.466   5.466
  395    HZ2  TRP  54           HZ2      TRP  54  -1.670  10.064  10.064
  396    HZ3  TRP  54           HZ3      TRP  54   1.406   7.407   7.407
  397    HH2  TRP  54           HH2      TRP  54   0.510   9.706   9.706
  398    H    GLU  55           H        GLU  55  -4.980   3.734   3.734
  399    HA   GLU  55           HA       GLU  55  -6.630   5.906   5.906
  400   1HB   GLU  55          2HB       GLU  55  -7.177   3.174   3.174
  401   2HB   GLU  55          1HB       GLU  55  -8.388   4.457   4.457
  402   1HG   GLU  55          2HG       GLU  55  -5.690   5.238   5.238
  403   2HG   GLU  55          1HG       GLU  55  -6.567   4.112   4.112
  404    H    LEU  56           H        LEU  56  -7.057   2.570   2.570
  405    HA   LEU  56           HA       LEU  56  -9.320   3.280   3.280
  406   1HB   LEU  56          2HB       LEU  56  -7.489   0.855   0.855
  407   2HB   LEU  56          1HB       LEU  56  -9.045   0.925   0.925
  408    HG   LEU  56           HG       LEU  56  -9.054   1.732   1.732
  409   1HD1  LEU  56          3HD1      LEU  56  -7.716  -0.626  -0.626
  410   2HD1  LEU  56          2HD1      LEU  56  -9.324  -1.145  -1.145
  411   3HD1  LEU  56          1HD1      LEU  56  -8.313  -0.205  -0.205
  412   1HD2  LEU  56          3HD2      LEU  56 -10.880   0.844   0.844
  413   2HD2  LEU  56          2HD2      LEU  56 -11.254   1.453   1.453
  414   3HD2  LEU  56          1HD2      LEU  56 -10.972  -0.271  -0.271
  415    H    SER  57           H        SER  57  -5.952   3.665   3.665
  416    HA   SER  57           HA       SER  57  -5.886   3.564   3.564
  417   1HB   SER  57          2HB       SER  57  -4.019   2.509   2.509
  418   2HB   SER  57          1HB       SER  57  -3.919   3.661   3.661
  419    HG   SER  57           HG       SER  57  -3.471   4.313   4.313
  420    H    ASP  58           H        ASP  58  -5.587   5.805   5.805
  421    HA   ASP  58           HA       ASP  58  -4.873   8.097   8.097
  422   1HB   ASP  58          2HB       ASP  58  -4.348   7.562   7.562
  423   2HB   ASP  58          1HB       ASP  58  -5.973   8.178   8.178
  424    H    ILE  59           H        ILE  59  -6.873   7.473   7.473
  425    HA   ILE  59           HA       ILE  59  -9.520   7.621   7.621
  426    HB   ILE  59           HB       ILE  59  -7.973   9.251   9.251
  427   1HG1  ILE  59          2HG1      ILE  59  -7.388   6.900   6.900
  428   2HG1  ILE  59          1HG1      ILE  59  -8.486   7.259   7.259
  429   1HG2  ILE  59          2HG2      ILE  59 -10.411   9.866   9.866
  430   2HG2  ILE  59          1HG2      ILE  59 -10.815   8.228   8.228
  431   3HG2  ILE  59          3HG2      ILE  59  -9.989   9.324   9.324
  432   1HD1  ILE  59          2HD1      ILE  59 -10.382   6.468   6.468
  433   2HD1  ILE  59          1HD1      ILE  59  -9.152   5.888   5.888
  434   3HD1  ILE  59          3HD1      ILE  59  -9.250   5.210   5.210
  435    H    ASP  60           H        ASP  60  -7.310  10.358  10.358
  436    HA   ASP  60           HA       ASP  60  -9.609  12.138  12.138
  437   1HB   ASP  60          2HB       ASP  60  -6.648  12.698  12.698
  438   2HB   ASP  60          1HB       ASP  60  -7.929  13.908  13.908
  439    H    HIS  61           H        HIS  61  -7.042  10.377  10.377
  440    HA   HIS  61           HA       HIS  61  -6.526  10.193  10.193
  441   1HB   HIS  61          2HB       HIS  61  -8.906  11.980  11.980
  442   2HB   HIS  61          1HB       HIS  61  -8.321  10.633  10.633
  443    HD1  HIS  61           HD1      HIS  61 -11.211  11.209  11.209
  444    HD2  HIS  61           HD2      HIS  61  -8.332   8.289   8.289
  445    HE1  HIS  61           HE1      HIS  61 -12.393   9.330   9.330
  446    H    ASP  62           H        ASP  62  -5.474  12.394  12.394
  447    HA   ASP  62           HA       ASP  62  -5.395  14.685  14.685
  448   1HB   ASP  62          2HB       ASP  62  -4.700  15.930  15.930
  449   2HB   ASP  62          1HB       ASP  62  -5.965  14.833  14.833
  450    H    GLY  63           H        GLY  63  -3.753  11.923  11.923
  451   1HA   GLY  63          2HA       GLY  63  -1.655  11.426  11.426
  452   2HA   GLY  63          1HA       GLY  63  -1.276  13.151  13.151
  453    H    MET  64           H        MET  64  -2.482  12.153  12.153
  454    HA   MET  64           HA       MET  64   0.237  11.583  11.583
  455   1HB   MET  64          2HB       MET  64  -1.524  13.915  13.915
  456   2HB   MET  64          1HB       MET  64  -0.860  13.251  13.251
  457   1HG   MET  64          2HG       MET  64   1.393  13.387  13.387
  458   2HG   MET  64          1HG       MET  64   0.772  13.941  13.941
  459   1HE   MET  64          3HE       MET  64   2.938  15.170  15.170
  460   2HE   MET  64          2HE       MET  64   2.784  16.752  16.752
  461   3HE   MET  64          1HE       MET  64   2.713  15.294  15.294
  462    H    LEU  65           H        LEU  65   0.162  10.609  10.609
  463    HA   LEU  65           HA       LEU  65  -2.481   9.305   9.305
  464   1HB   LEU  65          2HB       LEU  65   0.369   8.254   8.254
  465   2HB   LEU  65          1HB       LEU  65  -1.016   7.376   7.376
  466    HG   LEU  65           HG       LEU  65  -0.872   8.337   8.337
  467   1HD1  LEU  65          1HD1      LEU  65   0.564   6.193   6.193
  468   2HD1  LEU  65          3HD1      LEU  65  -0.629   5.514   5.514
  469   3HD1  LEU  65          2HD1      LEU  65   0.573   6.659   6.659
  470   1HD2  LEU  65          1HD2      LEU  65  -2.800   6.892   6.892
  471   2HD2  LEU  65          3HD2      LEU  65  -3.068   7.782   7.782
  472   3HD2  LEU  65          2HD2      LEU  65  -2.488   6.118   6.118
  473    H    ASP  66           H        ASP  66  -3.150  10.268  10.268
  474    HA   ASP  66           HA       ASP  66  -1.322  11.438  11.438
  475   1HB   ASP  66          2HB       ASP  66  -3.856  11.829  11.829
  476   2HB   ASP  66          1HB       ASP  66  -4.100  10.450  10.450
  477    H    ARG  67           H        ARG  67  -1.295  10.602  10.602
  478    HA   ARG  67           HA       ARG  67  -0.025   8.136   8.136
  479   1HB   ARG  67          2HB       ARG  67  -0.680   8.345   8.345
  480   2HB   ARG  67          1HB       ARG  67  -0.145   9.885   9.885
  481   1HG   ARG  67          2HG       ARG  67  -2.655  10.273  10.273
  482   2HG   ARG  67          1HG       ARG  67  -2.951   8.981   8.981
  483   1HD   ARG  67          2HD       ARG  67  -1.338  11.489  11.489
  484   2HD   ARG  67          1HD       ARG  67  -3.019  11.220  11.220
  485    HE   ARG  67           HE       ARG  67  -1.331   8.995   8.995
  486   1HH1  ARG  67          1HH2      ARG  67   0.007  11.590  11.590
  487   2HH1  ARG  67          2HH2      ARG  67  -0.644  11.704  11.704
  488   1HH2  ARG  67          2HH1      ARG  67  -3.166   9.393   9.393
  489   2HH2  ARG  67          1HH1      ARG  67  -2.442  10.460  10.460
  490    H    ASP  68           H        ASP  68  -3.513   8.783   8.783
  491    HA   ASP  68           HA       ASP  68  -4.169   5.988   5.988
  492   1HB   ASP  68          2HB       ASP  68  -5.358   8.518   8.518
  493   2HB   ASP  68          1HB       ASP  68  -6.327   7.681   7.681
  494    H    GLU  69           H        GLU  69  -4.041   8.069   8.069
  495    HA   GLU  69           HA       GLU  69  -5.455   6.204   6.204
  496   1HB   GLU  69          2HB       GLU  69  -3.532   8.451   8.451
  497   2HB   GLU  69          1HB       GLU  69  -4.789   7.786   7.786
  498   1HG   GLU  69          2HG       GLU  69  -6.487   8.493   8.493
  499   2HG   GLU  69          1HG       GLU  69  -5.192   9.314   9.314
  500    H    PHE  70           H        PHE  70  -2.056   6.920   6.920
  501    HA   PHE  70           HA       PHE  70  -0.912   5.180   5.180
  502   1HB   PHE  70          2HB       PHE  70   0.214   7.064   7.064
  503   2HB   PHE  70          1HB       PHE  70   0.176   6.081   6.081
  504    HD1  PHE  70           HD2      PHE  70   1.516   4.020   4.020
  505    HD2  PHE  70           HD1      PHE  70   1.715   6.541   6.541
  506    HE1  PHE  70           HE2      PHE  70   3.588   2.858   2.858
  507    HE2  PHE  70           HE1      PHE  70   3.784   5.380   5.380
  508    HZ   PHE  70           HZ       PHE  70   4.717   3.543   3.543
  509    H    ALA  71           H        ALA  71  -2.426   4.650   4.650
  510    HA   ALA  71           HA       ALA  71  -1.157   2.086   2.086
  511   1HB   ALA  71          3HB       ALA  71  -2.202   3.662   3.662
  512   2HB   ALA  71          2HB       ALA  71  -3.777   3.291   3.291
  513   3HB   ALA  71          1HB       ALA  71  -2.852   2.026   2.026
  514    H    VAL  72           H        VAL  72  -4.172   3.165   3.165
  515    HA   VAL  72           HA       VAL  72  -5.380   0.590   0.590
  516    HB   VAL  72           HB       VAL  72  -5.563   3.111   3.111
  517   1HG1  VAL  72          3HG1      VAL  72  -7.412   0.757   0.757
  518   2HG1  VAL  72          2HG1      VAL  72  -7.936   2.265   2.265
  519   3HG1  VAL  72          1HG1      VAL  72  -6.691   1.283   1.283
  520   1HG2  VAL  72          2HG2      VAL  72  -5.917   3.140   3.140
  521   2HG2  VAL  72          1HG2      VAL  72  -6.963   4.063   4.063
  522   3HG2  VAL  72          3HG2      VAL  72  -7.496   2.504   2.504
  523    H    ALA  73           H        ALA  73  -2.813   2.299   2.299
  524    HA   ALA  73           HA       ALA  73  -2.902   0.585   0.585
  525   1HB   ALA  73          1HB       ALA  73  -1.876   3.147   3.147
  526   2HB   ALA  73          3HB       ALA  73  -0.577   2.199   2.199
  527   3HB   ALA  73          2HB       ALA  73  -2.053   2.516   2.516
  528    H    MET  74           H        MET  74  -1.547   0.386   0.386
  529    HA   MET  74           HA       MET  74   0.933  -0.979  -0.979
  530   1HB   MET  74          2HB       MET  74  -0.525  -0.395  -0.395
  531   2HB   MET  74          1HB       MET  74   0.943  -1.372  -1.372
  532   1HG   MET  74          2HG       MET  74   0.966   1.267   1.267
  533   2HG   MET  74          1HG       MET  74   1.073   1.256   1.256
  534   1HE   MET  74          1HE       MET  74   2.507  -0.066  -0.066
  535   2HE   MET  74          3HE       MET  74   3.010   1.592   1.592
  536   3HE   MET  74          2HE       MET  74   4.209   0.304   0.304
  537    H    PHE  75           H        PHE  75  -2.159  -1.926  -1.926
  538    HA   PHE  75           HA       PHE  75  -1.462  -4.759  -4.759
  539   1HB   PHE  75          2HB       PHE  75  -3.498  -5.020  -5.020
  540   2HB   PHE  75          1HB       PHE  75  -3.093  -3.354  -3.354
  541    HD1  PHE  75           HD2      PHE  75  -4.168  -1.468  -1.468
  542    HD2  PHE  75           HD1      PHE  75  -5.369  -5.542  -5.542
  543    HE1  PHE  75           HE2      PHE  75  -6.264  -0.688  -0.688
  544    HE2  PHE  75           HE1      PHE  75  -7.469  -4.759  -4.759
  545    HZ   PHE  75           HZ       PHE  75  -7.917  -2.330  -2.330
  546    H    LEU  76           H        LEU  76  -2.974  -2.408  -2.408
  547    HA   LEU  76           HA       LEU  76  -4.304  -4.243  -4.243
  548   1HB   LEU  76          2HB       LEU  76  -3.460  -1.373  -1.373
  549   2HB   LEU  76          1HB       LEU  76  -3.870  -2.054  -2.054
  550    HG   LEU  76           HG       LEU  76  -5.640  -2.028  -2.028
  551   1HD1  LEU  76          3HD1      LEU  76  -5.203   0.015   0.015
  552   2HD1  LEU  76          2HD1      LEU  76  -6.449  -0.853  -0.853
  553   3HD1  LEU  76          1HD1      LEU  76  -6.774  -0.286  -0.286
  554   1HD2  LEU  76          1HD2      LEU  76  -5.784  -3.462  -3.462
  555   2HD2  LEU  76          3HD2      LEU  76  -6.287  -4.009  -4.009
  556   3HD2  LEU  76          2HD2      LEU  76  -7.281  -2.857  -2.857
  557    H    VAL  77           H        VAL  77  -1.048  -3.079  -3.079
  558    HA   VAL  77           HA       VAL  77  -0.122  -4.130  -4.130
  559    HB   VAL  77           HB       VAL  77   1.131  -2.646  -2.646
  560   1HG1  VAL  77          1HG1      VAL  77   2.398  -3.942  -3.942
  561   2HG1  VAL  77          3HG1      VAL  77   3.073  -2.437  -2.437
  562   3HG1  VAL  77          2HG1      VAL  77   2.990  -3.866  -3.866
  563   1HG2  VAL  77          3HG2      VAL  77  -0.425  -1.631  -1.631
  564   2HG2  VAL  77          2HG2      VAL  77   0.992  -0.756  -0.756
  565   3HG2  VAL  77          1HG2      VAL  77   1.077  -1.679  -1.679
  566    H    TYR  78           H        TYR  78   0.909  -4.498  -4.498
  567    HA   TYR  78           HA       TYR  78   2.454  -6.786  -6.786
  568   1HB   TYR  78          2HB       TYR  78   0.867  -5.411  -5.411
  569   2HB   TYR  78          1HB       TYR  78   1.118  -7.124  -7.124
  570    HD1  TYR  78           HD2      TYR  78   3.630  -7.940  -7.940
  571    HD2  TYR  78           HD1      TYR  78   2.480  -3.964  -3.964
  572    HE1  TYR  78           HE2      TYR  78   5.969  -7.458  -7.458
  573    HE2  TYR  78           HE1      TYR  78   4.813  -3.479  -3.479
  574    HH   TYR  78           HH       TYR  78   7.420  -5.418  -5.418
  575    H    CYS  79           H        CYS  79  -1.041  -6.579  -6.579
  576    HA   CYS  79           HA       CYS  79  -1.442  -9.464  -9.464
  577   1HB   CYS  79          2HB       CYS  79  -3.121  -7.066  -7.066
  578   2HB   CYS  79          1HB       CYS  79  -3.786  -8.697  -8.697
  579    HG   CYS  79           HG       CYS  79  -3.485  -7.149  -7.149
  580    H    ALA  80           H        ALA  80  -0.467  -7.416  -7.416
  581    HA   ALA  80           HA       ALA  80  -1.559  -9.159  -9.159
  582   1HB   ALA  80          1HB       ALA  80  -1.101  -6.504  -6.504
  583   2HB   ALA  80          3HB       ALA  80   0.438  -7.013  -7.013
  584   3HB   ALA  80          2HB       ALA  80  -1.065  -7.364  -7.364
  585    H    LEU  81           H        LEU  81   1.157  -9.006  -9.006
  586    HA   LEU  81           HA       LEU  81   3.051 -10.219 -10.219
  587   1HB   LEU  81          2HB       LEU  81   3.114  -9.500  -9.500
  588   2HB   LEU  81          1HB       LEU  81   4.481 -10.238 -10.238
  589    HG   LEU  81           HG       LEU  81   4.318  -8.326  -8.326
  590   1HD1  LEU  81          2HD1      LEU  81   2.351  -7.457  -7.457
  591   2HD1  LEU  81          1HD1      LEU  81   3.223  -6.266  -6.266
  592   3HD1  LEU  81          3HD1      LEU  81   2.175  -7.448  -7.448
  593   1HD2  LEU  81          1HD2      LEU  81   5.582  -8.525  -8.525
  594   2HD2  LEU  81          3HD2      LEU  81   5.993  -7.390  -7.390
  595   3HD2  LEU  81          2HD2      LEU  81   4.878  -6.909  -6.909
  596    H    GLU  82           H        GLU  82   1.261 -11.106 -11.106
  597    HA   GLU  82           HA       GLU  82   2.204 -13.829 -13.829
  598   1HB   GLU  82          2HB       GLU  82   0.048 -12.163 -12.163
  599   2HB   GLU  82          1HB       GLU  82  -0.051 -13.915 -13.915
  600   1HG   GLU  82          2HG       GLU  82   2.653 -12.997 -12.997
  601   2HG   GLU  82          1HG       GLU  82   1.509 -12.155 -12.155
  602    H    LYS  83           H        LYS  83  -0.949 -12.454 -12.454
  603    HA   LYS  83           HA       LYS  83  -1.242 -14.016 -14.016
  604   1HB   LYS  83          2HB       LYS  83  -1.189 -15.915 -15.915
  605   2HB   LYS  83          1HB       LYS  83  -2.383 -15.172 -15.172
  606   1HG   LYS  83          2HG       LYS  83  -4.124 -15.431 -15.431
  607   2HG   LYS  83          1HG       LYS  83  -2.985 -15.761 -15.761
  608   1HD   LYS  83          2HD       LYS  83  -3.249 -17.554 -17.554
  609   2HD   LYS  83          1HD       LYS  83  -4.188 -17.801 -17.801
  610   1HE   LYS  83          2HE       LYS  83  -2.322 -18.421 -18.421
  611   2HE   LYS  83          1HE       LYS  83  -1.207 -17.483 -17.483
  612   1HZ   LYS  83          2HZ       LYS  83  -1.928 -19.045 -19.045
  613   2HZ   LYS  83          1HZ       LYS  83  -2.544 -20.047 -20.047
  614   3HZ   LYS  83          3HZ       LYS  83  -0.888 -19.687 -19.687
  615    H    GLU  84           H        GLU  84  -2.721 -12.230 -12.230
  616    HA   GLU  84           HA       GLU  84  -5.387 -12.047 -12.047
  617   1HB   GLU  84          2HB       GLU  84  -3.659 -10.618 -10.618
  618   2HB   GLU  84          1HB       GLU  84  -5.184  -9.865  -9.865
  619   1HG   GLU  84          2HG       GLU  84  -4.953 -12.731 -12.731
  620   2HG   GLU  84          1HG       GLU  84  -5.366 -11.377 -11.377
  621    HA   PRO  85           HA       PRO  85  -4.179  -9.275  -9.275
  622   1HB   PRO  85          2HB       PRO  85  -6.578  -9.422  -9.422
  623   2HB   PRO  85          1HB       PRO  85  -5.321 -10.669 -10.669
  624   1HG   PRO  85          2HG       PRO  85  -7.808 -10.668 -10.668
  625   2HG   PRO  85          1HG       PRO  85  -7.033 -11.996 -11.996
  626   1HD   PRO  85          2HD       PRO  85  -6.846 -11.640 -11.640
  627   2HD   PRO  85          1HD       PRO  85  -5.624 -12.486 -12.486
  628    H    VAL  86           H        VAL  86  -5.346  -7.200  -7.200
  629    HA   VAL  86           HA       VAL  86  -6.891  -5.967  -5.967
  630    HB   VAL  86           HB       VAL  86  -4.860  -4.788  -4.788
  631   1HG1  VAL  86          1HG1      VAL  86  -6.911  -3.416  -3.416
  632   2HG1  VAL  86          3HG1      VAL  86  -5.775  -3.343  -3.343
  633   3HG1  VAL  86          2HG1      VAL  86  -5.311  -2.708  -2.708
  634   1HG2  VAL  86          2HG2      VAL  86  -4.691  -6.059  -6.059
  635   2HG2  VAL  86          1HG2      VAL  86  -3.405  -5.679  -5.679
  636   3HG2  VAL  86          3HG2      VAL  86  -3.983  -4.445  -4.445
  637    HA   PRO  87           HA       PRO  87  -9.786  -5.276  -5.276
  638   1HB   PRO  87          2HB       PRO  87 -11.854  -4.481  -4.481
  639   2HB   PRO  87          1HB       PRO  87 -11.391  -6.182  -6.182
  640   1HG   PRO  87          2HG       PRO  87 -10.979  -4.363  -4.363
  641   2HG   PRO  87          1HG       PRO  87 -11.069  -6.128  -6.128
  642   1HD   PRO  87          2HD       PRO  87  -8.737  -4.528  -4.528
  643   2HD   PRO  87          1HD       PRO  87  -8.822  -6.292  -6.292
  644    H    MET  88           H        MET  88 -11.565  -3.209  -3.209
  645    HA   MET  88           HA       MET  88  -9.839  -0.783  -0.783
  646   1HB   MET  88          2HB       MET  88 -12.144  -1.058  -1.058
  647   2HB   MET  88          1HB       MET  88 -10.804   0.080   0.080
  648   1HG   MET  88          2HG       MET  88  -9.283  -1.557  -1.557
  649   2HG   MET  88          1HG       MET  88 -10.302  -2.888  -2.888
  650   1HE   MET  88          3HE       MET  88  -9.208  -0.538  -0.538
  651   2HE   MET  88          2HE       MET  88  -8.951  -2.141  -2.141
  652   3HE   MET  88          1HE       MET  88 -10.017  -1.001  -1.001
  653    H    SER  89           H        SER  89 -12.336  -2.304  -2.304
  654    HA   SER  89           HA       SER  89 -14.014   0.147   0.147
  655   1HB   SER  89          2HB       SER  89 -14.432  -2.784  -2.784
  656   2HB   SER  89          1HB       SER  89 -15.602  -1.546  -1.546
  657    HG   SER  89           HG       SER  89 -15.693  -0.954  -0.954
  658    H    LEU  90           H        LEU  90 -13.174   1.348   1.348
  659    HA   LEU  90           HA       LEU  90 -11.774   0.556   0.556
  660   1HB   LEU  90          2HB       LEU  90 -13.293   2.838   2.838
  661   2HB   LEU  90          1HB       LEU  90 -13.462   2.674   2.674
  662    HG   LEU  90           HG       LEU  90 -10.755   2.469   2.469
  663   1HD1  LEU  90          3HD1      LEU  90 -12.236   4.982   4.982
  664   2HD1  LEU  90          2HD1      LEU  90 -10.498   4.916   4.916
  665   3HD1  LEU  90          1HD1      LEU  90 -11.623   4.593   4.593
  666   1HD2  LEU  90          1HD2      LEU  90 -11.895   2.635   2.635
  667   2HD2  LEU  90          3HD2      LEU  90 -10.338   1.995   1.995
  668   3HD2  LEU  90          2HD2      LEU  90 -10.538   3.729   3.729
  669    HA   PRO  91           HA       PRO  91 -15.177  -1.898  -1.898
  670   1HB   PRO  91          2HB       PRO  91 -13.646  -3.154  -3.154
  671   2HB   PRO  91          1HB       PRO  91 -13.725  -3.672  -3.672
  672   1HG   PRO  91          2HG       PRO  91 -11.646  -2.059  -2.059
  673   2HG   PRO  91          1HG       PRO  91 -11.463  -3.318  -3.318
  674   1HD   PRO  91          2HD       PRO  91 -11.284  -0.665  -0.665
  675   2HD   PRO  91          1HD       PRO  91 -11.849  -1.870  -1.870
  676    HA   PRO  92           HA       PRO  92 -16.211   0.797   0.797
  677   1HB   PRO  92          2HB       PRO  92 -18.275  -0.669  -0.669
  678   2HB   PRO  92          1HB       PRO  92 -18.408   0.259   0.259
  679   1HG   PRO  92          2HG       PRO  92 -17.956  -2.657  -2.657
  680   2HG   PRO  92          1HG       PRO  92 -18.964  -1.827  -1.827
  681   1HD   PRO  92          2HD       PRO  92 -16.513  -2.846  -2.846
  682   2HD   PRO  92          1HD       PRO  92 -17.198  -1.432  -1.432
  683    H    ALA  93           H        ALA  93 -14.918  -2.314  -2.314
  684    HA   ALA  93           HA       ALA  93 -14.986  -2.191  -2.191
  685   1HB   ALA  93          3HB       ALA  93 -15.126  -4.226  -4.226
  686   2HB   ALA  93          2HB       ALA  93 -13.566  -4.431  -4.431
  687   3HB   ALA  93          1HB       ALA  93 -15.057  -4.447  -4.447
  688    H    LEU  94           H        LEU  94 -13.364  -0.542  -0.542
  689    HA   LEU  94           HA       LEU  94 -10.703  -0.966  -0.966
  690   1HB   LEU  94          2HB       LEU  94 -10.499  -2.144  -2.144
  691   2HB   LEU  94          1HB       LEU  94 -11.568  -1.043  -1.043
  692    HG   LEU  94           HG       LEU  94  -9.087  -0.915  -0.915
  693   1HD1  LEU  94          3HD1      LEU  94 -11.111   0.997   0.997
  694   2HD1  LEU  94          2HD1      LEU  94  -9.702   1.801   1.801
  695   3HD1  LEU  94          1HD1      LEU  94  -9.614   1.129   1.129
  696   1HD2  LEU  94          3HD2      LEU  94  -8.970  -0.532  -0.532
  697   2HD2  LEU  94          2HD2      LEU  94  -7.638  -0.604  -0.604
  698   3HD2  LEU  94          1HD2      LEU  94  -8.400   0.938   0.938
  699    H    VAL  95           H        VAL  95 -13.174   1.183   1.183
  700    HA   VAL  95           HA       VAL  95 -11.483   3.540   3.540
  701    HB   VAL  95           HB       VAL  95 -14.427   3.585   3.585
  702   1HG1  VAL  95          3HG1      VAL  95 -12.540   5.108   5.108
  703   2HG1  VAL  95          2HG1      VAL  95 -14.292   5.248   5.248
  704   3HG1  VAL  95          1HG1      VAL  95 -13.489   5.722   5.722
  705   1HG2  VAL  95          1HG2      VAL  95 -13.137   2.065   2.065
  706   2HG2  VAL  95          3HG2      VAL  95 -14.813   2.022   2.022
  707   3HG2  VAL  95          2HG2      VAL  95 -14.294   3.253   3.253
  708    HA   PRO  96           HA       PRO  96 -11.148   4.516   4.516
  709   1HB   PRO  96          2HB       PRO  96 -10.571   7.184   7.184
  710   2HB   PRO  96          1HB       PRO  96  -9.389   5.908   5.908
  711   1HG   PRO  96          2HG       PRO  96 -11.060   7.502   7.502
  712   2HG   PRO  96          1HG       PRO  96  -9.376   6.979   6.979
  713   1HD   PRO  96          2HD       PRO  96 -11.442   5.743   5.743
  714   2HD   PRO  96          1HD       PRO  96  -9.954   4.900   4.900
  715    HA   PRO  97           HA       PRO  97 -15.057   6.214   6.214
  716   1HB   PRO  97          2HB       PRO  97 -14.542   7.454   7.454
  717   2HB   PRO  97          1HB       PRO  97 -14.614   5.689   5.689
  718   1HG   PRO  97          2HG       PRO  97 -12.244   7.482   7.482
  719   2HG   PRO  97          1HG       PRO  97 -12.485   5.869   5.869
  720   1HD   PRO  97          2HD       PRO  97 -11.043   6.341   6.341
  721   2HD   PRO  97          1HD       PRO  97 -11.880   4.809   4.809
  722    H    SER  98           H        SER  98 -14.099   7.732   7.732
  723    HA   SER  98           HA       SER  98 -14.808  10.483  10.483
  724   1HB   SER  98          2HB       SER  98 -12.291  10.141  10.141
  725   2HB   SER  98          1HB       SER  98 -12.423   9.783   9.783
  726    HG   SER  98           HG       SER  98 -11.989  11.949  11.949
  727    H    LYS  99           H        LYS  99 -14.165   8.173   8.173
  728    HA   LYS  99           HA       LYS  99 -15.783   9.741   9.741
  729   1HB   LYS  99          2HB       LYS  99 -13.586   7.971   7.971
  730   2HB   LYS  99          1HB       LYS  99 -14.915   7.113   7.113
  731   1HG   LYS  99          2HG       LYS  99 -15.300   9.406   9.406
  732   2HG   LYS  99          1HG       LYS  99 -13.620   9.705   9.705
  733   1HD   LYS  99          2HD       LYS  99 -12.829   8.194   8.194
  734   2HD   LYS  99          1HD       LYS  99 -14.092   7.024   7.024
  735   1HE   LYS  99          2HE       LYS  99 -14.598   9.518   9.518
  736   2HE   LYS  99          1HE       LYS  99 -14.228   7.932   7.932
  737   1HZ   LYS  99          3HZ       LYS  99 -16.048   7.136   7.136
  738   2HZ   LYS  99          2HZ       LYS  99 -16.562   8.754   8.754
  739   3HZ   LYS  99          1HZ       LYS  99 -16.507   7.827   7.827
  740    H    ARG 100           H        ARG 100 -16.629   7.922   7.922
  741    HA   ARG 100           HA       ARG 100 -18.091   5.731   5.731
  742   1HB   ARG 100          2HB       ARG 100 -18.484   8.223   8.223
  743   2HB   ARG 100          1HB       ARG 100 -20.051   7.598   7.598
  744   1HG   ARG 100          2HG       ARG 100 -19.363   6.742   6.742
  745   2HG   ARG 100          1HG       ARG 100 -19.595   5.457   5.457
  746   1HD   ARG 100          2HD       ARG 100 -17.462   5.303   5.303
  747   2HD   ARG 100          1HD       ARG 100 -17.221   5.223   5.223
  748    HE   ARG 100           HE       ARG 100 -15.954   7.186   7.186
  749   1HH1  ARG 100          1HH2      ARG 100 -17.723   6.842   6.842
  750   2HH1  ARG 100          2HH2      ARG 100 -17.875   8.536   8.536
  751   1HH2  ARG 100          2HH1      ARG 100 -16.583   9.518   9.518
  752   2HH2  ARG 100          1HH1      ARG 100 -17.229  10.048  10.048

  Start of MODEL    9
    1    HA   PRO   6           HA       PRO   6 -13.061  -4.628  -4.628
    2   1HB   PRO   6          2HB       PRO   6 -10.522  -3.961  -3.961
    3   2HB   PRO   6          1HB       PRO   6 -11.648  -4.831  -4.831
    4   1HG   PRO   6          2HG       PRO   6  -9.391  -5.881  -5.881
    5   2HG   PRO   6          1HG       PRO   6  -9.926  -6.351  -6.351
    6   1HD   PRO   6          2HD       PRO   6 -10.491  -7.784  -7.784
    7   2HD   PRO   6          1HD       PRO   6 -11.516  -7.788  -7.788
    8    H    TRP   7           H        TRP   7 -11.281  -2.611  -2.611
    9    HA   TRP   7           HA       TRP   7 -11.476  -1.917  -1.917
   10   1HB   TRP   7          2HB       TRP   7 -10.645  -0.470  -0.470
   11   2HB   TRP   7          1HB       TRP   7  -9.218  -1.477  -1.477
   12    HD1  TRP   7           HD1      TRP   7 -10.105  -1.031  -1.031
   13    HE1  TRP   7           HE1      TRP   7  -8.515   0.681   0.681
   14    HE3  TRP   7           HE3      TRP   7  -7.856   0.893   0.893
   15    HZ2  TRP   7           HZ2      TRP   7  -6.553   2.604   2.604
   16    HZ3  TRP   7           HZ3      TRP   7  -6.134   2.663   2.663
   17    HH2  TRP   7           HH2      TRP   7  -5.479   3.521   3.521
   18    H    ALA   8           H        ALA   8 -10.670  -2.783  -2.783
   19    HA   ALA   8           HA       ALA   8  -9.352  -5.153  -5.153
   20   1HB   ALA   8          2HB       ALA   8  -9.049  -2.524  -2.524
   21   2HB   ALA   8          1HB       ALA   8  -8.480  -4.064  -4.064
   22   3HB   ALA   8          3HB       ALA   8 -10.202  -3.815  -3.815
   23    H    VAL   9           H        VAL   9  -7.891  -2.158  -2.158
   24    HA   VAL   9           HA       VAL   9  -5.164  -3.351  -3.351
   25    HB   VAL   9           HB       VAL   9  -6.340  -0.609  -0.609
   26   1HG1  VAL   9          3HG1      VAL   9  -3.447  -1.439  -1.439
   27   2HG1  VAL   9          2HG1      VAL   9  -4.033   0.224   0.224
   28   3HG1  VAL   9          1HG1      VAL   9  -4.545  -0.870  -0.870
   29   1HG2  VAL   9          1HG2      VAL   9  -5.023  -2.074  -2.074
   30   2HG2  VAL   9          3HG2      VAL   9  -5.925  -0.559  -0.559
   31   3HG2  VAL   9          2HG2      VAL   9  -4.209  -0.546  -0.546
   32    H    LYS  10           H        LYS  10  -4.272  -4.259  -4.259
   33    HA   LYS  10           HA       LYS  10  -5.734  -4.168  -4.168
   34   1HB   LYS  10          2HB       LYS  10  -3.731  -5.772  -5.772
   35   2HB   LYS  10          1HB       LYS  10  -3.283  -5.494  -5.494
   36   1HG   LYS  10          2HG       LYS  10  -6.008  -6.041  -6.041
   37   2HG   LYS  10          1HG       LYS  10  -5.412  -7.165  -7.165
   38   1HD   LYS  10          2HD       LYS  10  -3.453  -7.362  -7.362
   39   2HD   LYS  10          1HD       LYS  10  -4.876  -7.083  -7.083
   40   1HE   LYS  10          2HE       LYS  10  -5.866  -8.918  -8.918
   41   2HE   LYS  10          1HE       LYS  10  -4.176  -9.444  -9.444
   42   1HZ   LYS  10          3HZ       LYS  10  -4.446  -9.123  -9.123
   43   2HZ   LYS  10          2HZ       LYS  10  -6.118  -9.006  -9.006
   44   3HZ   LYS  10          1HZ       LYS  10  -5.291 -10.437 -10.437
   45    HA   PRO  11           HA       PRO  11  -3.214  -1.275  -1.275
   46   1HB   PRO  11          2HB       PRO  11  -2.419  -2.598  -2.598
   47   2HB   PRO  11          1HB       PRO  11  -4.082  -2.030  -2.030
   48   1HG   PRO  11          2HG       PRO  11  -2.941  -4.761  -4.761
   49   2HG   PRO  11          1HG       PRO  11  -4.499  -4.269  -4.269
   50   1HD   PRO  11          2HD       PRO  11  -4.242  -5.241  -5.241
   51   2HD   PRO  11          1HD       PRO  11  -5.492  -4.060  -4.060
   52    H    GLU  12           H        GLU  12  -1.810  -4.496  -4.496
   53    HA   GLU  12           HA       GLU  12   0.956  -3.599  -3.599
   54   1HB   GLU  12          2HB       GLU  12   0.096  -6.158  -6.158
   55   2HB   GLU  12          1HB       GLU  12   1.440  -5.891  -5.891
   56   1HG   GLU  12          2HG       GLU  12  -0.491  -5.279  -5.279
   57   2HG   GLU  12          1HG       GLU  12  -1.472  -6.254  -6.254
   58    H    ASP  13           H        ASP  13  -1.331  -3.924  -3.924
   59    HA   ASP  13           HA       ASP  13   0.683  -3.779  -3.779
   60   1HB   ASP  13          2HB       ASP  13  -2.331  -3.775  -3.775
   61   2HB   ASP  13          1HB       ASP  13  -1.546  -3.435  -3.435
   62    H    LYS  14           H        LYS  14  -1.862  -1.713  -1.713
   63    HA   LYS  14           HA       LYS  14  -1.230   0.642   0.642
   64   1HB   LYS  14          2HB       LYS  14  -3.184  -0.177  -0.177
   65   2HB   LYS  14          1HB       LYS  14  -2.262   0.896   0.896
   66   1HG   LYS  14          2HG       LYS  14  -2.945   1.828   1.828
   67   2HG   LYS  14          1HG       LYS  14  -4.192   1.871   1.871
   68   1HD   LYS  14          2HD       LYS  14  -3.180   3.569   3.569
   69   2HD   LYS  14          1HD       LYS  14  -1.566   2.913   2.913
   70   1HE   LYS  14          2HE       LYS  14  -2.434   3.693   3.693
   71   2HE   LYS  14          1HE       LYS  14  -2.948   5.006   5.006
   72   1HZ   LYS  14          3HZ       LYS  14  -0.718   4.933   4.933
   73   2HZ   LYS  14          2HZ       LYS  14  -0.240   3.794   3.794
   74   3HZ   LYS  14          1HZ       LYS  14  -0.669   5.370   5.370
   75    H    ALA  15           H        ALA  15   0.273  -0.944  -0.944
   76    HA   ALA  15           HA       ALA  15   1.703   1.402   1.402
   77   1HB   ALA  15          1HB       ALA  15   1.640  -1.575  -1.575
   78   2HB   ALA  15          3HB       ALA  15   2.965  -0.626  -0.626
   79   3HB   ALA  15          2HB       ALA  15   1.303  -0.274  -0.274
   80    H    LYS  16           H        LYS  16   2.467  -1.459  -1.459
   81    HA   LYS  16           HA       LYS  16   5.214  -0.620  -0.620
   82   1HB   LYS  16          2HB       LYS  16   5.357  -2.675  -2.675
   83   2HB   LYS  16          1HB       LYS  16   3.874  -2.953  -2.953
   84   1HG   LYS  16          2HG       LYS  16   2.528  -2.364  -2.364
   85   2HG   LYS  16          1HG       LYS  16   3.980  -1.931  -1.931
   86   1HD   LYS  16          2HD       LYS  16   4.531  -4.502  -4.502
   87   2HD   LYS  16          1HD       LYS  16   2.818  -4.574  -4.574
   88   1HE   LYS  16          2HE       LYS  16   3.335  -4.618  -4.618
   89   2HE   LYS  16          1HE       LYS  16   4.214  -3.085  -3.085
   90   1HZ   LYS  16          1HZ       LYS  16   5.947  -4.614  -4.614
   91   2HZ   LYS  16          3HZ       LYS  16   5.216  -5.834  -5.834
   92   3HZ   LYS  16          2HZ       LYS  16   5.927  -4.498  -4.498
   93    H    TYR  17           H        TYR  17   2.090  -0.078  -0.078
   94    HA   TYR  17           HA       TYR  17   3.049   0.971   0.971
   95   1HB   TYR  17          2HB       TYR  17   0.499   1.450   1.450
   96   2HB   TYR  17          1HB       TYR  17   0.721   1.847   1.847
   97    HD1  TYR  17           HD2      TYR  17   2.593  -1.019  -1.019
   98    HD2  TYR  17           HD1      TYR  17  -1.502   0.253   0.253
   99    HE1  TYR  17           HE2      TYR  17   1.893  -3.318  -3.318
  100    HE2  TYR  17           HE1      TYR  17  -2.211  -2.040  -2.040
  101    HH   TYR  17           HH       TYR  17  -1.164  -4.442  -4.442
  102    H    ASP  18           H        ASP  18   2.271   2.296   2.296
  103    HA   ASP  18           HA       ASP  18   2.596   5.087   5.087
  104   1HB   ASP  18          2HB       ASP  18   1.271   4.158   4.158
  105   2HB   ASP  18          1HB       ASP  18   2.784   3.679   3.679
  106    H    ALA  19           H        ALA  19   4.788   2.537   2.537
  107    HA   ALA  19           HA       ALA  19   7.021   4.293   4.293
  108   1HB   ALA  19          3HB       ALA  19   6.391   1.760   1.760
  109   2HB   ALA  19          2HB       ALA  19   7.334   1.428   1.428
  110   3HB   ALA  19          1HB       ALA  19   8.071   2.288   2.288
  111    H    ILE  20           H        ILE  20   5.784   2.431   2.431
  112    HA   ILE  20           HA       ILE  20   8.010   3.003   3.003
  113    HB   ILE  20           HB       ILE  20   5.218   1.850   1.850
  114   1HG1  ILE  20          2HG1      ILE  20   7.812   0.520   0.520
  115   2HG1  ILE  20          1HG1      ILE  20   7.306   0.607   0.607
  116   1HG2  ILE  20          3HG2      ILE  20   6.971   2.806   2.806
  117   2HG2  ILE  20          2HG2      ILE  20   6.272   1.202   1.202
  118   3HG2  ILE  20          1HG2      ILE  20   5.226   2.591   2.591
  119   1HD1  ILE  20          1HD1      ILE  20   5.538  -0.460  -0.460
  120   2HD1  ILE  20          3HD1      ILE  20   6.562  -1.490  -1.490
  121   3HD1  ILE  20          2HD1      ILE  20   5.254  -0.560  -0.560
  122    H    PHE  21           H        PHE  21   4.851   4.293   4.293
  123    HA   PHE  21           HA       PHE  21   4.613   6.203   6.203
  124   1HB   PHE  21          2HB       PHE  21   2.581   5.787   5.787
  125   2HB   PHE  21          1HB       PHE  21   3.328   5.541   5.541
  126    HD1  PHE  21           HD2      PHE  21   4.132   7.547   7.547
  127    HD2  PHE  21           HD1      PHE  21   1.670   7.906   7.906
  128    HE1  PHE  21           HE2      PHE  21   3.528   9.858   9.858
  129    HE2  PHE  21           HE1      PHE  21   1.068  10.220  10.220
  130    HZ   PHE  21           HZ       PHE  21   2.001  11.195  11.195
  131    H    ASP  22           H        ASP  22   5.766   6.331   6.331
  132    HA   ASP  22           HA       ASP  22   6.618   9.127   9.127
  133   1HB   ASP  22          2HB       ASP  22   5.699   8.190   8.190
  134   2HB   ASP  22          1HB       ASP  22   6.990   6.986   6.986
  135    H    SER  23           H        SER  23   7.826   6.329   6.329
  136    HA   SER  23           HA       SER  23  10.682   6.804   6.804
  137   1HB   SER  23          2HB       SER  23   8.953   4.688   4.688
  138   2HB   SER  23          1HB       SER  23  10.506   4.829   4.829
  139    HG   SER  23           HG       SER  23  10.119   4.639   4.639
  140    H    LEU  24           H        LEU  24   8.363   7.891   7.891
  141    HA   LEU  24           HA       LEU  24  10.330   8.456   8.456
  142   1HB   LEU  24          2HB       LEU  24   7.401   9.091   9.091
  143   2HB   LEU  24          1HB       LEU  24   8.466   8.506   8.506
  144    HG   LEU  24           HG       LEU  24   7.606   6.814   6.814
  145   1HD1  LEU  24          1HD1      LEU  24   6.119   7.636   7.636
  146   2HD1  LEU  24          3HD1      LEU  24   6.373   5.890   5.890
  147   3HD1  LEU  24          2HD1      LEU  24   5.581   6.664   6.664
  148   1HD2  LEU  24          2HD2      LEU  24   8.847   6.191   6.191
  149   2HD2  LEU  24          1HD2      LEU  24   9.650   6.075   6.075
  150   3HD2  LEU  24          3HD2      LEU  24   8.328   4.978   4.978
  151    H    SER  25           H        SER  25   8.871   9.777   9.777
  152    HA   SER  25           HA       SER  25   9.146  11.964  11.964
  153   1HB   SER  25          2HB       SER  25   9.797  13.003  13.003
  154   2HB   SER  25          1HB       SER  25  10.388  13.562  13.562
  155    HG   SER  25           HG       SER  25  11.952  12.172  12.172
  156    HA   PRO  26           HA       PRO  26   4.944  12.503  12.503
  157   1HB   PRO  26          2HB       PRO  26   3.828  12.960  12.960
  158   2HB   PRO  26          1HB       PRO  26   4.144  11.329  11.329
  159   1HG   PRO  26          2HG       PRO  26   5.679  12.933  12.933
  160   2HG   PRO  26          1HG       PRO  26   5.361  11.191  11.191
  161   1HD   PRO  26          2HD       PRO  26   7.730  12.341  12.341
  162   2HD   PRO  26          1HD       PRO  26   7.148  10.774  10.774
  163    H    VAL  27           H        VAL  27   3.872  14.413  14.413
  164    HA   VAL  27           HA       VAL  27   5.108  16.900  16.900
  165    HB   VAL  27           HB       VAL  27   3.561  16.486  16.486
  166   1HG1  VAL  27          3HG1      VAL  27   3.639  18.804  18.804
  167   2HG1  VAL  27          2HG1      VAL  27   5.398  18.704  18.704
  168   3HG1  VAL  27          1HG1      VAL  27   4.605  18.636  18.636
  169   1HG2  VAL  27          2HG2      VAL  27   5.785  15.180  15.180
  170   2HG2  VAL  27          1HG2      VAL  27   5.615  16.202  16.202
  171   3HG2  VAL  27          3HG2      VAL  27   6.558  16.764  16.764
  172    H    ASN  28           H        ASN  28   3.723  17.355  17.355
  173    HA   ASN  28           HA       ASN  28   1.726  18.082  18.082
  174   1HB   ASN  28          2HB       ASN  28   1.783  19.403  19.403
  175   2HB   ASN  28          1HB       ASN  28   0.638  18.211  18.211
  176   1HD2  ASN  28          1HD2      ASN  28  -1.368  17.885  17.885
  177   2HD2  ASN  28          2HD2      ASN  28  -2.004  19.283  19.283
  178    H    GLY  29           H        GLY  29   2.257  15.203  15.203
  179   1HA   GLY  29          2HA       GLY  29   1.040  13.226  13.226
  180   2HA   GLY  29          1HA       GLY  29  -0.443  14.183  14.183
  181    H    PHE  30           H        PHE  30   1.876  14.253  14.253
  182    HA   PHE  30           HA       PHE  30   0.005  12.662  12.662
  183   1HB   PHE  30          2HB       PHE  30   0.934  15.508  15.508
  184   2HB   PHE  30          1HB       PHE  30   0.154  14.539  14.539
  185    HD1  PHE  30           HD2      PHE  30  -2.113  13.464  13.464
  186    HD2  PHE  30           HD1      PHE  30  -0.356  16.668  16.668
  187    HE1  PHE  30           HE2      PHE  30  -4.340  14.015  14.015
  188    HE2  PHE  30           HE1      PHE  30  -2.568  17.216  17.216
  189    HZ   PHE  30           HZ       PHE  30  -4.568  15.893  15.893
  190    H    LEU  31           H        LEU  31   0.985  11.729  11.729
  191    HA   LEU  31           HA       LEU  31   3.950  12.130  12.130
  192   1HB   LEU  31          2HB       LEU  31   2.282   9.600   9.600
  193   2HB   LEU  31          1HB       LEU  31   3.948   9.669   9.669
  194    HG   LEU  31           HG       LEU  31   3.208  10.606  10.606
  195   1HD1  LEU  31          3HD1      LEU  31   2.458   8.259   8.259
  196   2HD1  LEU  31          2HD1      LEU  31   4.058   7.820   7.820
  197   3HD1  LEU  31          1HD1      LEU  31   3.858   8.369   8.369
  198   1HD2  LEU  31          1HD2      LEU  31   5.654  10.182  10.182
  199   2HD2  LEU  31          3HD2      LEU  31   5.387  11.244  11.244
  200   3HD2  LEU  31          2HD2      LEU  31   5.736   9.532   9.532
  201    H    SER  32           H        SER  32   4.556  12.617  12.617
  202    HA   SER  32           HA       SER  32   2.535  12.920  12.920
  203   1HB   SER  32          2HB       SER  32   5.226  13.136  13.136
  204   2HB   SER  32          1HB       SER  32   4.067  14.426  14.426
  205    HG   SER  32           HG       SER  32   6.108  14.425  14.425
  206    H    GLY  33           H        GLY  33   2.170  11.590  11.590
  207   1HA   GLY  33          2HA       GLY  33   2.680   8.873   8.873
  208   2HA   GLY  33          1HA       GLY  33   2.488   9.778   9.778
  209    H    ASP  34           H        ASP  34   4.917  11.444  11.444
  210    HA   ASP  34           HA       ASP  34   6.880   9.894   9.894
  211   1HB   ASP  34          2HB       ASP  34   7.289  12.276  12.276
  212   2HB   ASP  34          1HB       ASP  34   8.294  11.809  11.809
  213    H    LYS  35           H        LYS  35   6.014  10.054  10.054
  214    HA   LYS  35           HA       LYS  35   8.572   8.778   8.778
  215   1HB   LYS  35          2HB       LYS  35   6.199   9.503   9.503
  216   2HB   LYS  35          1HB       LYS  35   7.900   9.424   9.424
  217   1HG   LYS  35          2HG       LYS  35   8.412  11.380  11.380
  218   2HG   LYS  35          1HG       LYS  35   6.771  11.416  11.416
  219   1HD   LYS  35          2HD       LYS  35   6.902  13.056  13.056
  220   2HD   LYS  35          1HD       LYS  35   5.923  11.702  11.702
  221   1HE   LYS  35          2HE       LYS  35   7.324  11.807  11.807
  222   2HE   LYS  35          1HE       LYS  35   8.403  10.868  10.868
  223   1HZ   LYS  35          2HZ       LYS  35   9.208  13.022  13.022
  224   2HZ   LYS  35          1HZ       LYS  35   8.315  13.823  13.823
  225   3HZ   LYS  35          3HZ       LYS  35   9.591  12.793  12.793
  226    H    VAL  36           H        VAL  36   5.090   8.239   8.239
  227    HA   VAL  36           HA       VAL  36   5.228   5.556   5.556
  228    HB   VAL  36           HB       VAL  36   3.093   7.030   7.030
  229   1HG1  VAL  36          2HG1      VAL  36   2.766   4.591   4.591
  230   2HG1  VAL  36          1HG1      VAL  36   2.902   4.632   4.632
  231   3HG1  VAL  36          3HG1      VAL  36   1.548   5.431   5.431
  232   1HG2  VAL  36          1HG2      VAL  36   3.905   6.993   6.993
  233   2HG2  VAL  36          3HG2      VAL  36   3.414   8.358   8.358
  234   3HG2  VAL  36          2HG2      VAL  36   2.206   7.217   7.217
  235    H    LYS  37           H        LYS  37   5.028   6.986   6.986
  236    HA   LYS  37           HA       LYS  37   4.439   4.772   4.772
  237   1HB   LYS  37          2HB       LYS  37   4.720   6.899   6.899
  238   2HB   LYS  37          1HB       LYS  37   6.332   7.106   7.106
  239   1HG   LYS  37          2HG       LYS  37   7.332   5.745   5.745
  240   2HG   LYS  37          1HG       LYS  37   5.889   4.753   4.753
  241   1HD   LYS  37          2HD       LYS  37   4.794   6.621   6.621
  242   2HD   LYS  37          1HD       LYS  37   6.269   7.577   7.577
  243   1HE   LYS  37          2HE       LYS  37   7.171   6.562   6.562
  244   2HE   LYS  37          1HE       LYS  37   6.904   4.964   4.964
  245   1HZ   LYS  37          3HZ       LYS  37   4.516   5.229   5.229
  246   2HZ   LYS  37          2HZ       LYS  37   4.943   6.604   6.604
  247   3HZ   LYS  37          1HZ       LYS  37   5.556   5.079   5.079
  248    HA   PRO  38           HA       PRO  38   9.095   3.497   3.497
  249   1HB   PRO  38          2HB       PRO  38  10.592   4.518   4.518
  250   2HB   PRO  38          1HB       PRO  38  10.514   5.274   5.274
  251   1HG   PRO  38          2HG       PRO  38   9.015   5.957   5.957
  252   2HG   PRO  38          1HG       PRO  38   9.795   7.036   7.036
  253   1HD   PRO  38          2HD       PRO  38   7.155   6.652   6.652
  254   2HD   PRO  38          1HD       PRO  38   8.075   6.833   6.833
  255    H    VAL  39           H        VAL  39   7.353   4.199   4.199
  256    HA   VAL  39           HA       VAL  39   8.266   1.827   1.827
  257    HB   VAL  39           HB       VAL  39   6.240   4.043   4.043
  258   1HG1  VAL  39          2HG1      VAL  39   6.219   1.413   1.413
  259   2HG1  VAL  39          1HG1      VAL  39   6.060   2.813   2.813
  260   3HG1  VAL  39          3HG1      VAL  39   4.909   2.567   2.567
  261   1HG2  VAL  39          3HG2      VAL  39   8.906   3.739   3.739
  262   2HG2  VAL  39          2HG2      VAL  39   7.789   4.966   4.966
  263   3HG2  VAL  39          1HG2      VAL  39   8.018   3.463   3.463
  264    H    LEU  40           H        LEU  40   6.015   2.459   2.459
  265    HA   LEU  40           HA       LEU  40   4.277   0.159   0.159
  266   1HB   LEU  40          2HB       LEU  40   4.162   2.416   2.416
  267   2HB   LEU  40          1HB       LEU  40   3.015   1.080   1.080
  268    HG   LEU  40           HG       LEU  40   3.503   2.934   2.934
  269   1HD1  LEU  40          2HD1      LEU  40   1.432   2.787   2.787
  270   2HD1  LEU  40          1HD1      LEU  40   0.963   3.369   3.369
  271   3HD1  LEU  40          3HD1      LEU  40   2.223   4.205   4.205
  272   1HD2  LEU  40          2HD2      LEU  40   2.244   0.313   0.313
  273   2HD2  LEU  40          1HD2      LEU  40   2.635   1.232   1.232
  274   3HD2  LEU  40          3HD2      LEU  40   1.117   1.527   1.527
  275    H    LEU  41           H        LEU  41   6.951   1.037   1.037
  276    HA   LEU  41           HA       LEU  41   6.513  -1.041  -1.041
  277   1HB   LEU  41          2HB       LEU  41   8.824   0.835   0.835
  278   2HB   LEU  41          1HB       LEU  41   8.627  -0.116  -0.116
  279    HG   LEU  41           HG       LEU  41   6.381   1.672   1.672
  280   1HD1  LEU  41          2HD1      LEU  41   9.035   2.613   2.613
  281   2HD1  LEU  41          1HD1      LEU  41   8.222   3.057   3.057
  282   3HD1  LEU  41          3HD1      LEU  41   7.562   3.579   3.579
  283   1HD2  LEU  41          1HD2      LEU  41   7.216   0.126   0.126
  284   2HD2  LEU  41          3HD2      LEU  41   5.721   1.038   1.038
  285   3HD2  LEU  41          2HD2      LEU  41   7.143   1.823   1.823
  286    H    ASN  42           H        ASN  42   8.514  -0.458  -0.458
  287    HA   ASN  42           HA       ASN  42  10.313  -2.653  -2.653
  288   1HB   ASN  42          2HB       ASN  42  10.888  -2.234  -2.234
  289   2HB   ASN  42          1HB       ASN  42  10.465  -0.672  -0.672
  290   1HD2  ASN  42          1HD2      ASN  42   8.318   0.210   0.210
  291   2HD2  ASN  42          2HD2      ASN  42   7.491  -0.304  -0.304
  292    H    SER  43           H        SER  43   6.966  -2.621  -2.621
  293    HA   SER  43           HA       SER  43   6.748  -4.987  -4.987
  294   1HB   SER  43          2HB       SER  43   4.674  -4.002  -4.002
  295   2HB   SER  43          1HB       SER  43   4.445  -4.656  -4.656
  296    HG   SER  43           HG       SER  43   5.087  -2.772  -2.772
  297    H    LYS  44           H        LYS  44   7.858  -4.631  -4.631
  298    HA   LYS  44           HA       LYS  44   8.352  -6.250  -6.250
  299   1HB   LYS  44          2HB       LYS  44   8.491  -7.599  -7.599
  300   2HB   LYS  44          1HB       LYS  44   6.944  -8.275  -8.275
  301   1HG   LYS  44          2HG       LYS  44   8.136  -8.714  -8.714
  302   2HG   LYS  44          1HG       LYS  44   9.629  -8.485  -8.485
  303   1HD   LYS  44          2HD       LYS  44   7.508 -10.347 -10.347
  304   2HD   LYS  44          1HD       LYS  44   8.628 -10.897 -10.897
  305   1HE   LYS  44          2HE       LYS  44  10.477  -9.923  -9.923
  306   2HE   LYS  44          1HE       LYS  44   9.221 -10.079 -10.079
  307   1HZ   LYS  44          2HZ       LYS  44   8.868 -12.371 -12.371
  308   2HZ   LYS  44          1HZ       LYS  44  10.103 -12.227 -12.227
  309   3HZ   LYS  44          3HZ       LYS  44  10.477 -12.137 -12.137
  310    H    LEU  45           H        LEU  45   5.508  -4.961  -4.961
  311    HA   LEU  45           HA       LEU  45   3.840  -6.811  -6.811
  312   1HB   LEU  45          2HB       LEU  45   3.387  -4.488  -4.488
  313   2HB   LEU  45          1HB       LEU  45   2.130  -4.947  -4.947
  314    HG   LEU  45           HG       LEU  45   3.401  -6.751  -6.751
  315   1HD1  LEU  45          1HD1      LEU  45   1.403  -4.872  -4.872
  316   2HD1  LEU  45          3HD1      LEU  45   0.492  -6.346  -6.346
  317   3HD1  LEU  45          2HD1      LEU  45   1.619  -6.290  -6.290
  318   1HD2  LEU  45          1HD2      LEU  45   2.094  -7.339  -7.339
  319   2HD2  LEU  45          3HD2      LEU  45   2.705  -8.470  -8.470
  320   3HD2  LEU  45          2HD2      LEU  45   1.054  -7.861  -7.861
  321    HA   PRO  46           HA       PRO  46   4.096  -4.186  -4.186
  322   1HB   PRO  46          2HB       PRO  46   1.579  -4.431  -4.431
  323   2HB   PRO  46          1HB       PRO  46   2.789  -5.727  -5.727
  324   1HG   PRO  46          2HG       PRO  46   0.446  -5.428  -5.428
  325   2HG   PRO  46          1HG       PRO  46   1.161  -6.888  -6.888
  326   1HD   PRO  46          2HD       PRO  46   1.531  -6.048  -6.048
  327   2HD   PRO  46          1HD       PRO  46   2.623  -7.137  -7.137
  328    H    VAL  47           H        VAL  47   3.247  -2.112  -2.112
  329    HA   VAL  47           HA       VAL  47   2.523  -0.213  -0.213
  330    HB   VAL  47           HB       VAL  47   2.645  -0.247  -0.247
  331   1HG1  VAL  47          3HG1      VAL  47   0.847   1.324   1.324
  332   2HG1  VAL  47          2HG1      VAL  47   1.956   2.119   2.119
  333   3HG1  VAL  47          1HG1      VAL  47   2.256   2.190   2.190
  334   1HG2  VAL  47          1HG2      VAL  47   4.333   0.666   0.666
  335   2HG2  VAL  47          3HG2      VAL  47   4.817  -0.082  -0.082
  336   3HG2  VAL  47          2HG2      VAL  47   4.385   1.628   1.628
  337    H    ASP  48           H        ASP  48   0.597  -2.509  -2.509
  338    HA   ASP  48           HA       ASP  48  -1.852  -0.965  -0.965
  339   1HB   ASP  48          2HB       ASP  48  -0.941  -3.802  -3.802
  340   2HB   ASP  48          1HB       ASP  48  -2.663  -3.499  -3.499
  341    H    ILE  49           H        ILE  49  -0.392  -3.134  -3.134
  342    HA   ILE  49           HA       ILE  49  -2.560  -3.149  -3.149
  343    HB   ILE  49           HB       ILE  49   0.412  -3.276  -3.276
  344   1HG1  ILE  49          2HG1      ILE  49   0.105  -4.783  -4.783
  345   2HG1  ILE  49          1HG1      ILE  49   0.096  -5.775  -5.775
  346   1HG2  ILE  49          2HG2      ILE  49  -1.812  -3.454  -3.454
  347   2HG2  ILE  49          1HG2      ILE  49  -1.404  -5.142  -5.142
  348   3HG2  ILE  49          3HG2      ILE  49  -0.202  -4.052  -4.052
  349   1HD1  ILE  49          1HD1      ILE  49  -2.398  -5.683  -5.683
  350   2HD1  ILE  49          3HD1      ILE  49  -2.330  -4.815  -4.815
  351   3HD1  ILE  49          2HD1      ILE  49  -1.734  -6.471  -6.471
  352    H    LEU  50           H        LEU  50   0.329  -1.184  -1.184
  353    HA   LEU  50           HA       LEU  50  -0.051   0.563   0.563
  354   1HB   LEU  50          2HB       LEU  50   1.316   1.175   1.175
  355   2HB   LEU  50          1HB       LEU  50   1.747   1.779   1.779
  356    HG   LEU  50           HG       LEU  50   2.174  -0.961  -0.961
  357   1HD1  LEU  50          1HD1      LEU  50   3.850   1.073   1.073
  358   2HD1  LEU  50          3HD1      LEU  50   4.027   0.549   0.549
  359   3HD1  LEU  50          2HD1      LEU  50   4.413  -0.560  -0.560
  360   1HD2  LEU  50          2HD2      LEU  50   1.787  -0.214  -0.214
  361   2HD2  LEU  50          1HD2      LEU  50   1.160  -1.611  -1.611
  362   3HD2  LEU  50          3HD2      LEU  50   2.868  -1.535  -1.535
  363    H    GLY  51           H        GLY  51  -1.508   0.399   0.399
  364   1HA   GLY  51          2HA       GLY  51  -2.425   3.202   3.202
  365   2HA   GLY  51          1HA       GLY  51  -2.808   2.026   2.026
  366    H    ARG  52           H        ARG  52  -3.560  -0.006  -0.006
  367    HA   ARG  52           HA       ARG  52  -6.329   0.948   0.948
  368   1HB   ARG  52          2HB       ARG  52  -5.096  -1.431  -1.431
  369   2HB   ARG  52          1HB       ARG  52  -5.680  -1.769  -1.769
  370   1HG   ARG  52          2HG       ARG  52  -7.886  -0.653  -0.653
  371   2HG   ARG  52          1HG       ARG  52  -7.256  -0.925  -0.925
  372   1HD   ARG  52          2HD       ARG  52  -6.904  -3.312  -3.312
  373   2HD   ARG  52          1HD       ARG  52  -8.603  -2.798  -2.798
  374    HE   ARG  52           HE       ARG  52  -7.331  -2.680  -2.680
  375   1HH1  ARG  52          1HH2      ARG  52  -8.054  -5.265  -5.265
  376   2HH1  ARG  52          2HH2      ARG  52  -9.264  -5.953  -5.953
  377   1HH2  ARG  52          2HH1      ARG  52  -9.383  -3.220  -3.220
  378   2HH2  ARG  52          1HH1      ARG  52 -10.017  -4.796  -4.796
  379    H    VAL  53           H        VAL  53  -3.796  -0.777  -0.777
  380    HA   VAL  53           HA       VAL  53  -4.943  -0.606  -0.606
  381    HB   VAL  53           HB       VAL  53  -2.097  -0.521  -0.521
  382   1HG1  VAL  53          1HG1      VAL  53  -3.014   0.165   0.165
  383   2HG1  VAL  53          3HG1      VAL  53  -2.169  -1.380  -1.380
  384   3HG1  VAL  53          2HG1      VAL  53  -1.355   0.035   0.035
  385   1HG2  VAL  53          1HG2      VAL  53  -3.620  -2.574  -2.574
  386   2HG2  VAL  53          3HG2      VAL  53  -2.076  -2.843  -2.843
  387   3HG2  VAL  53          2HG2      VAL  53  -3.555  -2.695  -2.695
  388    H    TRP  54           H        TRP  54  -2.980   1.763   1.763
  389    HA   TRP  54           HA       TRP  54  -2.790   3.742   3.742
  390   1HB   TRP  54          2HB       TRP  54  -1.394   3.837   3.837
  391   2HB   TRP  54          1HB       TRP  54  -2.798   3.826   3.826
  392    HD1  TRP  54           HD1      TRP  54  -4.430   6.020   6.020
  393    HE1  TRP  54           HE1      TRP  54  -3.832   8.483   8.483
  394    HE3  TRP  54           HE3      TRP  54   0.187   5.423   5.423
  395    HZ2  TRP  54           HZ2      TRP  54  -1.677   9.997   9.997
  396    HZ3  TRP  54           HZ3      TRP  54   1.491   7.393   7.393
  397    HH2  TRP  54           HH2      TRP  54   0.565   9.679   9.679
  398    H    GLU  55           H        GLU  55  -5.004   3.601   3.601
  399    HA   GLU  55           HA       GLU  55  -6.664   5.756   5.756
  400   1HB   GLU  55          2HB       GLU  55  -7.028   3.007   3.007
  401   2HB   GLU  55          1HB       GLU  55  -8.454   4.021   4.021
  402   1HG   GLU  55          2HG       GLU  55  -5.985   5.057   5.057
  403   2HG   GLU  55          1HG       GLU  55  -7.232   4.170   4.170
  404    H    LEU  56           H        LEU  56  -7.255   2.448   2.448
  405    HA   LEU  56           HA       LEU  56  -9.345   3.310   3.310
  406   1HB   LEU  56          2HB       LEU  56  -7.649   0.792   0.792
  407   2HB   LEU  56          1HB       LEU  56  -9.235   0.976   0.976
  408    HG   LEU  56           HG       LEU  56  -9.196   1.751   1.751
  409   1HD1  LEU  56          3HD1      LEU  56  -7.505  -0.208  -0.208
  410   2HD1  LEU  56          2HD1      LEU  56  -8.931  -1.193  -1.193
  411   3HD1  LEU  56          1HD1      LEU  56  -8.771  -0.354  -0.354
  412   1HD2  LEU  56          2HD2      LEU  56 -11.083   1.045   1.045
  413   2HD2  LEU  56          1HD2      LEU  56 -11.352   0.969   0.969
  414   3HD2  LEU  56          3HD2      LEU  56 -10.886  -0.484  -0.484
  415    H    SER  57           H        SER  57  -5.948   3.508   3.508
  416    HA   SER  57           HA       SER  57  -5.764   3.438   3.438
  417   1HB   SER  57          2HB       SER  57  -3.864   3.515   3.515
  418   2HB   SER  57          1HB       SER  57  -3.299   3.866   3.866
  419    HG   SER  57           HG       SER  57  -4.244   1.493   1.493
  420    H    ASP  58           H        ASP  58  -5.881   5.671   5.671
  421    HA   ASP  58           HA       ASP  58  -4.919   7.935   7.935
  422   1HB   ASP  58          2HB       ASP  58  -4.504   7.314   7.314
  423   2HB   ASP  58          1HB       ASP  58  -6.022   8.191   8.191
  424    H    ILE  59           H        ILE  59  -6.836   7.610   7.610
  425    HA   ILE  59           HA       ILE  59  -9.521   7.767   7.767
  426    HB   ILE  59           HB       ILE  59  -7.942   9.380   9.380
  427   1HG1  ILE  59          2HG1      ILE  59  -7.413   7.017   7.017
  428   2HG1  ILE  59          1HG1      ILE  59  -8.500   7.431   7.431
  429   1HG2  ILE  59          3HG2      ILE  59 -10.856   8.786   8.786
  430   2HG2  ILE  59          2HG2      ILE  59 -10.201   8.930   8.930
  431   3HG2  ILE  59          1HG2      ILE  59 -10.072  10.283  10.283
  432   1HD1  ILE  59          3HD1      ILE  59  -9.326   6.148   6.148
  433   2HD1  ILE  59          2HD1      ILE  59  -9.183   5.318   5.318
  434   3HD1  ILE  59          1HD1      ILE  59 -10.413   6.563   6.563
  435    H    ASP  60           H        ASP  60  -7.169  10.376  10.376
  436    HA   ASP  60           HA       ASP  60  -9.303  12.314  12.314
  437   1HB   ASP  60          2HB       ASP  60  -6.280  12.573  12.573
  438   2HB   ASP  60          1HB       ASP  60  -7.436  13.902  13.902
  439    H    HIS  61           H        HIS  61  -6.962  10.237  10.237
  440    HA   HIS  61           HA       HIS  61  -6.464   9.895   9.895
  441   1HB   HIS  61          2HB       HIS  61  -9.226  11.102  11.102
  442   2HB   HIS  61          1HB       HIS  61  -8.463  10.692  10.692
  443    HD1  HIS  61           HD1      HIS  61  -8.249   8.218   8.218
  444    HD2  HIS  61           HD2      HIS  61  -9.764   8.826   8.826
  445    HE1  HIS  61           HE1      HIS  61  -9.067   5.963   5.963
  446    H    ASP  62           H        ASP  62  -5.304  12.212  12.212
  447    HA   ASP  62           HA       ASP  62  -5.545  14.277  14.277
  448   1HB   ASP  62          2HB       ASP  62  -5.039  15.850  15.850
  449   2HB   ASP  62          1HB       ASP  62  -6.070  14.673  14.673
  450    H    GLY  63           H        GLY  63  -3.600  11.731  11.731
  451   1HA   GLY  63          2HA       GLY  63  -1.536  11.334  11.334
  452   2HA   GLY  63          1HA       GLY  63  -1.224  13.070  13.070
  453    H    MET  64           H        MET  64  -2.382  12.178  12.178
  454    HA   MET  64           HA       MET  64   0.353  11.589  11.589
  455   1HB   MET  64          2HB       MET  64  -1.472  13.869  13.869
  456   2HB   MET  64          1HB       MET  64  -0.818  13.201  13.201
  457   1HG   MET  64          2HG       MET  64   1.440  13.434  13.434
  458   2HG   MET  64          1HG       MET  64   0.861  13.924  13.924
  459   1HE   MET  64          2HE       MET  64   2.916  15.172  15.172
  460   2HE   MET  64          1HE       MET  64   2.694  16.878  16.878
  461   3HE   MET  64          3HE       MET  64   2.687  15.669  15.669
  462    H    LEU  65           H        LEU  65   0.307  10.573  10.573
  463    HA   LEU  65           HA       LEU  65  -2.303   9.212   9.212
  464   1HB   LEU  65          2HB       LEU  65   0.544   8.263   8.263
  465   2HB   LEU  65          1HB       LEU  65  -0.517   7.438   7.438
  466    HG   LEU  65           HG       LEU  65  -0.926   7.761   7.761
  467   1HD1  LEU  65          1HD1      LEU  65   0.484   5.868   5.868
  468   2HD1  LEU  65          3HD1      LEU  65  -1.128   5.155   5.155
  469   3HD1  LEU  65          2HD1      LEU  65  -0.406   5.536   5.536
  470   1HD2  LEU  65          2HD2      LEU  65  -2.846   7.313   7.313
  471   2HD2  LEU  65          1HD2      LEU  65  -3.128   7.851   7.851
  472   3HD2  LEU  65          3HD2      LEU  65  -2.946   6.133   6.133
  473    H    ASP  66           H        ASP  66  -2.973  10.182  10.182
  474    HA   ASP  66           HA       ASP  66  -1.107  11.331  11.331
  475   1HB   ASP  66          2HB       ASP  66  -3.221  12.322  12.322
  476   2HB   ASP  66          1HB       ASP  66  -4.057  10.778  10.778
  477    H    ARG  67           H        ARG  67  -1.269  10.579  10.579
  478    HA   ARG  67           HA       ARG  67  -0.053   8.100   8.100
  479   1HB   ARG  67          2HB       ARG  67  -1.144   8.396   8.396
  480   2HB   ARG  67          1HB       ARG  67   0.007   9.598   9.598
  481   1HG   ARG  67          2HG       ARG  67  -1.584  11.217  11.217
  482   2HG   ARG  67          1HG       ARG  67  -2.788  10.093  10.093
  483   1HD   ARG  67          2HD       ARG  67  -3.697   9.776   9.776
  484   2HD   ARG  67          1HD       ARG  67  -2.102   9.577   9.577
  485    HE   ARG  67           HE       ARG  67  -2.284  12.291  12.291
  486   1HH1  ARG  67          1HH2      ARG  67  -1.974  11.115  11.115
  487   2HH1  ARG  67          2HH2      ARG  67  -3.346  11.815  11.815
  488   1HH2  ARG  67          2HH1      ARG  67  -4.919  12.736  12.736
  489   2HH2  ARG  67          1HH1      ARG  67  -5.015  12.733  12.733
  490    H    ASP  68           H        ASP  68  -3.551   8.778   8.778
  491    HA   ASP  68           HA       ASP  68  -4.193   5.982   5.982
  492   1HB   ASP  68          2HB       ASP  68  -5.619   8.573   8.573
  493   2HB   ASP  68          1HB       ASP  68  -6.552   7.088   7.088
  494    H    GLU  69           H        GLU  69  -4.074   8.042   8.042
  495    HA   GLU  69           HA       GLU  69  -5.464   6.175   6.175
  496   1HB   GLU  69          2HB       GLU  69  -3.534   8.415   8.415
  497   2HB   GLU  69          1HB       GLU  69  -4.808   7.774   7.774
  498   1HG   GLU  69          2HG       GLU  69  -6.474   8.467   8.467
  499   2HG   GLU  69          1HG       GLU  69  -5.157   9.290   9.290
  500    H    PHE  70           H        PHE  70  -2.062   7.004   7.004
  501    HA   PHE  70           HA       PHE  70  -0.893   5.260   5.260
  502   1HB   PHE  70          2HB       PHE  70   0.251   7.101   7.101
  503   2HB   PHE  70          1HB       PHE  70   0.129   6.148   6.148
  504    HD1  PHE  70           HD2      PHE  70   1.457   4.107   4.107
  505    HD2  PHE  70           HD1      PHE  70   1.788   6.465   6.465
  506    HE1  PHE  70           HE2      PHE  70   3.534   2.896   2.896
  507    HE2  PHE  70           HE1      PHE  70   3.864   5.253   5.253
  508    HZ   PHE  70           HZ       PHE  70   4.736   3.477   3.477
  509    H    ALA  71           H        ALA  71  -2.139   4.762   4.762
  510    HA   ALA  71           HA       ALA  71  -1.002   2.196   2.196
  511   1HB   ALA  71          3HB       ALA  71  -2.509   3.948   3.948
  512   2HB   ALA  71          2HB       ALA  71  -3.809   2.891   2.891
  513   3HB   ALA  71          1HB       ALA  71  -2.506   2.240   2.240
  514    H    VAL  72           H        VAL  72  -4.105   3.066   3.066
  515    HA   VAL  72           HA       VAL  72  -5.097   0.468   0.468
  516    HB   VAL  72           HB       VAL  72  -5.365   3.077   3.077
  517   1HG1  VAL  72          2HG1      VAL  72  -6.874   0.476   0.476
  518   2HG1  VAL  72          1HG1      VAL  72  -7.702   1.991   1.991
  519   3HG1  VAL  72          3HG1      VAL  72  -6.328   1.491   1.491
  520   1HG2  VAL  72          3HG2      VAL  72  -6.929   1.881   1.881
  521   2HG2  VAL  72          2HG2      VAL  72  -5.934   3.337   3.337
  522   3HG2  VAL  72          1HG2      VAL  72  -7.427   3.316   3.316
  523    H    ALA  73           H        ALA  73  -2.587   2.303   2.303
  524    HA   ALA  73           HA       ALA  73  -2.623   0.575   0.575
  525   1HB   ALA  73          1HB       ALA  73  -1.898   3.194   3.194
  526   2HB   ALA  73          3HB       ALA  73  -0.369   2.381   2.381
  527   3HB   ALA  73          2HB       ALA  73  -1.650   2.402   2.402
  528    H    MET  74           H        MET  74  -1.226   0.343   0.343
  529    HA   MET  74           HA       MET  74   1.242  -0.944  -0.944
  530   1HB   MET  74          2HB       MET  74   0.260  -0.780  -0.780
  531   2HB   MET  74          1HB       MET  74   1.920  -0.929  -0.929
  532   1HG   MET  74          2HG       MET  74   0.161   1.483   1.483
  533   2HG   MET  74          1HG       MET  74   1.869   1.332   1.332
  534   1HE   MET  74          2HE       MET  74   3.340   0.271   0.271
  535   2HE   MET  74          1HE       MET  74   2.786  -0.099  -0.099
  536   3HE   MET  74          3HE       MET  74   3.786   1.329   1.329
  537    H    PHE  75           H        PHE  75  -1.722  -1.892  -1.892
  538    HA   PHE  75           HA       PHE  75  -0.939  -4.712  -4.712
  539   1HB   PHE  75          2HB       PHE  75  -2.888  -4.988  -4.988
  540   2HB   PHE  75          1HB       PHE  75  -2.559  -3.287  -3.287
  541    HD1  PHE  75           HD2      PHE  75  -3.835  -1.525  -1.525
  542    HD2  PHE  75           HD1      PHE  75  -4.762  -5.694  -5.694
  543    HE1  PHE  75           HE2      PHE  75  -6.032  -0.936  -0.936
  544    HE2  PHE  75           HE1      PHE  75  -6.963  -5.102  -5.102
  545    HZ   PHE  75           HZ       PHE  75  -7.600  -2.720  -2.720
  546    H    LEU  76           H        LEU  76  -2.679  -2.502  -2.502
  547    HA   LEU  76           HA       LEU  76  -3.998  -4.445  -4.445
  548   1HB   LEU  76          2HB       LEU  76  -3.343  -1.542  -1.542
  549   2HB   LEU  76          1HB       LEU  76  -3.689  -2.241  -2.241
  550    HG   LEU  76           HG       LEU  76  -5.479  -2.442  -2.442
  551   1HD1  LEU  76          1HD1      LEU  76  -5.157  -0.405  -0.405
  552   2HD1  LEU  76          3HD1      LEU  76  -6.729  -1.177  -1.177
  553   3HD1  LEU  76          2HD1      LEU  76  -6.302  -0.455  -0.455
  554   1HD2  LEU  76          3HD2      LEU  76  -5.514  -3.649  -3.649
  555   2HD2  LEU  76          2HD2      LEU  76  -5.977  -4.370  -4.370
  556   3HD2  LEU  76          1HD2      LEU  76  -7.051  -3.216  -3.216
  557    H    VAL  77           H        VAL  77  -0.782  -3.079  -3.079
  558    HA   VAL  77           HA       VAL  77   0.001  -4.166  -4.166
  559    HB   VAL  77           HB       VAL  77   1.291  -2.500  -2.500
  560   1HG1  VAL  77          1HG1      VAL  77   2.545  -4.000  -4.000
  561   2HG1  VAL  77          3HG1      VAL  77   3.114  -2.355  -2.355
  562   3HG1  VAL  77          2HG1      VAL  77   3.221  -3.563  -3.563
  563   1HG2  VAL  77          1HG2      VAL  77  -0.360  -1.786  -1.786
  564   2HG2  VAL  77          3HG2      VAL  77   0.891  -0.725  -0.725
  565   3HG2  VAL  77          2HG2      VAL  77   1.201  -1.667  -1.667
  566    H    TYR  78           H        TYR  78   0.476  -4.829  -4.829
  567    HA   TYR  78           HA       TYR  78   2.490  -6.890  -6.890
  568   1HB   TYR  78          2HB       TYR  78   1.204  -5.541  -5.541
  569   2HB   TYR  78          1HB       TYR  78   1.630  -7.229  -7.229
  570    HD1  TYR  78           HD2      TYR  78   4.016  -7.793  -7.793
  571    HD2  TYR  78           HD1      TYR  78   2.864  -4.077  -4.077
  572    HE1  TYR  78           HE2      TYR  78   6.404  -7.155  -7.155
  573    HE2  TYR  78           HE1      TYR  78   5.252  -3.438  -3.438
  574    HH   TYR  78           HH       TYR  78   7.539  -4.897  -4.897
  575    H    CYS  79           H        CYS  79  -0.996  -6.761  -6.761
  576    HA   CYS  79           HA       CYS  79  -1.285  -9.657  -9.657
  577   1HB   CYS  79          2HB       CYS  79  -3.154  -7.316  -7.316
  578   2HB   CYS  79          1HB       CYS  79  -3.737  -8.975  -8.975
  579    HG   CYS  79           HG       CYS  79  -2.012  -8.249  -8.249
  580    H    ALA  80           H        ALA  80  -0.969  -7.393  -7.393
  581    HA   ALA  80           HA       ALA  80  -2.268  -8.995  -8.995
  582   1HB   ALA  80          2HB       ALA  80  -1.640  -6.466  -6.466
  583   2HB   ALA  80          1HB       ALA  80  -0.031  -7.007  -7.007
  584   3HB   ALA  80          3HB       ALA  80  -1.405  -7.319  -7.319
  585    H    LEU  81           H        LEU  81   0.650  -9.096  -9.096
  586    HA   LEU  81           HA       LEU  81   2.145 -10.680 -10.680
  587   1HB   LEU  81          2HB       LEU  81   2.834 -10.142 -10.142
  588   2HB   LEU  81          1HB       LEU  81   3.939 -10.361 -10.361
  589    HG   LEU  81           HG       LEU  81   2.197  -7.982  -7.982
  590   1HD1  LEU  81          3HD1      LEU  81   4.841  -8.595  -8.595
  591   2HD1  LEU  81          2HD1      LEU  81   4.961  -7.599  -7.599
  592   3HD1  LEU  81          1HD1      LEU  81   4.146  -6.974  -6.974
  593   1HD2  LEU  81          2HD2      LEU  81   3.458  -8.826  -8.826
  594   2HD2  LEU  81          1HD2      LEU  81   1.826  -8.222  -8.222
  595   3HD2  LEU  81          3HD2      LEU  81   3.202  -7.120  -7.120
  596    H    GLU  82           H        GLU  82   0.711 -11.061 -11.061
  597    HA   GLU  82           HA       GLU  82   0.800 -14.039 -14.039
  598   1HB   GLU  82          2HB       GLU  82   1.001 -13.948 -13.948
  599   2HB   GLU  82          1HB       GLU  82   2.416 -13.469 -13.469
  600   1HG   GLU  82          2HG       GLU  82   2.234 -11.266 -11.266
  601   2HG   GLU  82          1HG       GLU  82   0.471 -11.315 -11.315
  602    H    LYS  83           H        LYS  83  -1.513 -12.257 -12.257
  603    HA   LYS  83           HA       LYS  83  -3.447 -13.550 -13.550
  604   1HB   LYS  83          2HB       LYS  83  -2.584 -10.982 -10.982
  605   2HB   LYS  83          1HB       LYS  83  -4.036 -10.734 -10.734
  606   1HG   LYS  83          2HG       LYS  83  -4.781 -10.755 -10.755
  607   2HG   LYS  83          1HG       LYS  83  -5.207 -12.338 -12.338
  608   1HD   LYS  83          2HD       LYS  83  -3.888 -13.381 -13.381
  609   2HD   LYS  83          1HD       LYS  83  -2.509 -12.376 -12.376
  610   1HE   LYS  83          2HE       LYS  83  -2.706 -11.250 -11.250
  611   2HE   LYS  83          1HE       LYS  83  -4.350 -10.758 -10.758
  612   1HZ   LYS  83          2HZ       LYS  83  -3.944 -13.532 -13.532
  613   2HZ   LYS  83          1HZ       LYS  83  -3.908 -12.348 -12.348
  614   3HZ   LYS  83          3HZ       LYS  83  -5.284 -12.516 -12.516
  615    H    GLU  84           H        GLU  84  -3.669 -10.997 -10.997
  616    HA   GLU  84           HA       GLU  84  -4.765 -12.710 -12.710
  617   1HB   GLU  84          2HB       GLU  84  -6.459 -11.769 -11.769
  618   2HB   GLU  84          1HB       GLU  84  -7.075 -11.258 -11.258
  619   1HG   GLU  84          2HG       GLU  84  -6.443 -13.820 -13.820
  620   2HG   GLU  84          1HG       GLU  84  -6.815 -13.992 -13.992
  621    HA   PRO  85           HA       PRO  85  -4.415  -9.037  -9.037
  622   1HB   PRO  85          2HB       PRO  85  -6.707  -8.929  -8.929
  623   2HB   PRO  85          1HB       PRO  85  -5.408 -10.101 -10.101
  624   1HG   PRO  85          2HG       PRO  85  -7.997 -10.473 -10.473
  625   2HG   PRO  85          1HG       PRO  85  -7.152 -11.565 -11.565
  626   1HD   PRO  85          2HD       PRO  85  -7.110 -11.872 -11.872
  627   2HD   PRO  85          1HD       PRO  85  -5.776 -12.387 -12.387
  628    H    VAL  86           H        VAL  86  -5.538  -6.824  -6.824
  629    HA   VAL  86           HA       VAL  86  -7.191  -6.105  -6.105
  630    HB   VAL  86           HB       VAL  86  -5.290  -4.495  -4.495
  631   1HG1  VAL  86          2HG1      VAL  86  -7.251  -3.769  -3.769
  632   2HG1  VAL  86          1HG1      VAL  86  -5.672  -2.988  -2.988
  633   3HG1  VAL  86          3HG1      VAL  86  -6.665  -2.817  -2.817
  634   1HG2  VAL  86          3HG2      VAL  86  -5.065  -5.961  -5.961
  635   2HG2  VAL  86          2HG2      VAL  86  -3.854  -5.717  -5.717
  636   3HG2  VAL  86          1HG2      VAL  86  -4.229  -4.413  -4.413
  637    HA   PRO  87           HA       PRO  87 -10.228  -5.089  -5.089
  638   1HB   PRO  87          2HB       PRO  87 -12.219  -4.434  -4.434
  639   2HB   PRO  87          1HB       PRO  87 -11.757  -6.112  -6.112
  640   1HG   PRO  87          2HG       PRO  87 -11.228  -4.471  -4.471
  641   2HG   PRO  87          1HG       PRO  87 -11.323  -6.228  -6.228
  642   1HD   PRO  87          2HD       PRO  87  -8.982  -4.646  -4.646
  643   2HD   PRO  87          1HD       PRO  87  -9.080  -6.387  -6.387
  644    H    MET  88           H        MET  88 -11.635  -3.052  -3.052
  645    HA   MET  88           HA       MET  88 -10.051  -0.654  -0.654
  646   1HB   MET  88          2HB       MET  88 -12.352  -0.642  -0.642
  647   2HB   MET  88          1HB       MET  88 -10.861   0.291   0.291
  648   1HG   MET  88          2HG       MET  88  -9.620  -1.832  -1.832
  649   2HG   MET  88          1HG       MET  88 -11.171  -2.665  -2.665
  650   1HE   MET  88          2HE       MET  88 -12.352  -3.003  -3.003
  651   2HE   MET  88          1HE       MET  88 -13.050  -1.799  -1.799
  652   3HE   MET  88          3HE       MET  88 -11.813  -2.913  -2.913
  653    H    SER  89           H        SER  89 -12.466  -2.206  -2.206
  654    HA   SER  89           HA       SER  89 -14.182   0.213   0.213
  655   1HB   SER  89          2HB       SER  89 -14.589  -2.727  -2.727
  656   2HB   SER  89          1HB       SER  89 -15.773  -1.488  -1.488
  657    HG   SER  89           HG       SER  89 -15.266  -2.650  -2.650
  658    H    LEU  90           H        LEU  90 -13.306   1.368   1.368
  659    HA   LEU  90           HA       LEU  90 -11.923   0.481   0.481
  660   1HB   LEU  90          2HB       LEU  90 -13.333   2.836   2.836
  661   2HB   LEU  90          1HB       LEU  90 -13.564   2.640   2.640
  662    HG   LEU  90           HG       LEU  90 -10.888   2.623   2.623
  663   1HD1  LEU  90          3HD1      LEU  90 -12.280   4.831   4.831
  664   2HD1  LEU  90          2HD1      LEU  90 -11.819   4.695   4.695
  665   3HD1  LEU  90          1HD1      LEU  90 -10.575   4.826   4.826
  666   1HD2  LEU  90          1HD2      LEU  90 -11.690   2.433   2.433
  667   2HD2  LEU  90          3HD2      LEU  90 -10.802   1.236   1.236
  668   3HD2  LEU  90          2HD2      LEU  90 -10.045   2.776   2.776
  669    HA   PRO  91           HA       PRO  91 -15.468  -1.787  -1.787
  670   1HB   PRO  91          2HB       PRO  91 -14.009  -3.261  -3.261
  671   2HB   PRO  91          1HB       PRO  91 -14.166  -3.689  -3.689
  672   1HG   PRO  91          2HG       PRO  91 -11.917  -2.377  -2.377
  673   2HG   PRO  91          1HG       PRO  91 -11.886  -3.536  -3.536
  674   1HD   PRO  91          2HD       PRO  91 -11.496  -0.838  -0.838
  675   2HD   PRO  91          1HD       PRO  91 -12.092  -1.911  -1.911
  676    HA   PRO  92           HA       PRO  92 -16.189   0.754   0.754
  677   1HB   PRO  92          2HB       PRO  92 -18.078  -0.765  -0.765
  678   2HB   PRO  92          1HB       PRO  92 -18.413   0.167   0.167
  679   1HG   PRO  92          2HG       PRO  92 -17.842  -2.740  -2.740
  680   2HG   PRO  92          1HG       PRO  92 -19.016  -1.929  -1.929
  681   1HD   PRO  92          2HD       PRO  92 -16.644  -2.878  -2.878
  682   2HD   PRO  92          1HD       PRO  92 -17.449  -1.459  -1.459
  683    H    ALA  93           H        ALA  93 -14.732  -2.270  -2.270
  684    HA   ALA  93           HA       ALA  93 -14.406  -2.181  -2.181
  685   1HB   ALA  93          3HB       ALA  93 -14.615  -4.202  -4.202
  686   2HB   ALA  93          2HB       ALA  93 -13.042  -4.358  -4.358
  687   3HB   ALA  93          1HB       ALA  93 -14.521  -4.430  -4.430
  688    H    LEU  94           H        LEU  94 -13.207  -0.380  -0.380
  689    HA   LEU  94           HA       LEU  94 -10.429  -0.467  -0.467
  690   1HB   LEU  94          2HB       LEU  94 -10.368  -2.096  -2.096
  691   2HB   LEU  94          1HB       LEU  94 -11.411  -1.135  -1.135
  692    HG   LEU  94           HG       LEU  94  -8.805  -1.306  -1.306
  693   1HD1  LEU  94          2HD1      LEU  94 -10.919   0.459   0.459
  694   2HD1  LEU  94          1HD1      LEU  94  -9.456   1.429   1.429
  695   3HD1  LEU  94          3HD1      LEU  94  -9.472   0.072   0.072
  696   1HD2  LEU  94          3HD2      LEU  94  -8.844   0.117   0.117
  697   2HD2  LEU  94          2HD2      LEU  94  -7.470  -0.129  -0.129
  698   3HD2  LEU  94          1HD2      LEU  94  -8.471   1.307   1.307
  699    H    VAL  95           H        VAL  95 -12.721   1.399   1.399
  700    HA   VAL  95           HA       VAL  95 -11.489   3.741   3.741
  701    HB   VAL  95           HB       VAL  95 -14.097   4.428   4.428
  702   1HG1  VAL  95          1HG1      VAL  95 -12.388   4.097   4.097
  703   2HG1  VAL  95          3HG1      VAL  95 -13.266   2.587   2.587
  704   3HG1  VAL  95          2HG1      VAL  95 -14.119   4.129   4.129
  705   1HG2  VAL  95          1HG2      VAL  95 -14.521   2.085   2.085
  706   2HG2  VAL  95          3HG2      VAL  95 -15.582   2.631   2.631
  707   3HG2  VAL  95          2HG2      VAL  95 -14.282   1.489   1.489
  708    HA   PRO  96           HA       PRO  96 -11.546   5.283   5.283
  709   1HB   PRO  96          2HB       PRO  96 -10.819   7.860   7.860
  710   2HB   PRO  96          1HB       PRO  96  -9.661   6.515   6.515
  711   1HG   PRO  96          2HG       PRO  96 -10.980   7.758   7.758
  712   2HG   PRO  96          1HG       PRO  96  -9.305   7.218   7.218
  713   1HD   PRO  96          2HD       PRO  96 -11.143   5.755   5.755
  714   2HD   PRO  96          1HD       PRO  96  -9.822   5.010   5.010
  715    HA   PRO  97           HA       PRO  97 -15.403   7.323   7.323
  716   1HB   PRO  97          2HB       PRO  97 -15.017   9.322   9.322
  717   2HB   PRO  97          1HB       PRO  97 -15.051   7.601   7.601
  718   1HG   PRO  97          2HG       PRO  97 -12.720   9.411   9.411
  719   2HG   PRO  97          1HG       PRO  97 -12.968   8.124   8.124
  720   1HD   PRO  97          2HD       PRO  97 -11.431   7.840   7.840
  721   2HD   PRO  97          1HD       PRO  97 -12.250   6.488   6.488
  722    H    SER  98           H        SER  98 -16.484   9.634   9.634
  723    HA   SER  98           HA       SER  98 -16.786  11.733  11.733
  724   1HB   SER  98          2HB       SER  98 -14.089  11.573  11.573
  725   2HB   SER  98          1HB       SER  98 -14.101  11.885  11.885
  726    HG   SER  98           HG       SER  98 -14.808  13.500  13.500
  727    H    LYS  99           H        LYS  99 -14.664   9.668   9.668
  728    HA   LYS  99           HA       LYS  99 -16.159  10.493  10.493
  729   1HB   LYS  99          2HB       LYS  99 -13.807  10.305  10.305
  730   2HB   LYS  99          1HB       LYS  99 -13.747   8.792   8.792
  731   1HG   LYS  99          2HG       LYS  99 -15.455   8.770   8.770
  732   2HG   LYS  99          1HG       LYS  99 -13.725   8.934   8.934
  733   1HD   LYS  99          2HD       LYS  99 -15.084   6.735   6.735
  734   2HD   LYS  99          1HD       LYS  99 -14.281   6.570   6.570
  735   1HE   LYS  99          2HE       LYS  99 -12.472   5.968   5.968
  736   2HE   LYS  99          1HE       LYS  99 -12.287   7.719   7.719
  737   1HZ   LYS  99          3HZ       LYS  99 -14.299   6.836   6.836
  738   2HZ   LYS  99          2HZ       LYS  99 -12.968   5.802   5.802
  739   3HZ   LYS  99          1HZ       LYS  99 -12.780   7.474   7.474
  740    H    ARG 100           H        ARG 100 -16.913   8.556   8.556
  741    HA   ARG 100           HA       ARG 100 -17.793   6.184   6.184
  742   1HB   ARG 100          2HB       ARG 100 -17.029   5.412   5.412
  743   2HB   ARG 100          1HB       ARG 100 -17.270   6.967   6.967
  744   1HG   ARG 100          2HG       ARG 100 -19.744   6.486   6.486
  745   2HG   ARG 100          1HG       ARG 100 -19.379   4.864   4.864
  746   1HD   ARG 100          2HD       ARG 100 -18.308   6.073   6.073
  747   2HD   ARG 100          1HD       ARG 100 -19.603   4.866   4.866
  748    HE   ARG 100           HE       ARG 100 -17.225   4.033   4.033
  749   1HH1  ARG 100          1HH2      ARG 100 -19.366   3.113   3.113
  750   2HH1  ARG 100          2HH2      ARG 100 -18.222   2.307   2.307
  751   1HH2  ARG 100          2HH1      ARG 100 -15.453   3.487   3.487
  752   2HH2  ARG 100          1HH1      ARG 100 -16.008   2.518   2.518

  Start of MODEL   10
    1    HA   PRO   6           HA       PRO   6 -14.714  -2.155  -2.155
    2   1HB   PRO   6          2HB       PRO   6 -12.367  -3.297  -3.297
    3   2HB   PRO   6          1HB       PRO   6 -13.867  -3.421  -3.421
    4   1HG   PRO   6          2HG       PRO   6 -12.543  -5.433  -5.433
    5   2HG   PRO   6          1HG       PRO   6 -13.524  -5.655  -5.655
    6   1HD   PRO   6          2HD       PRO   6 -14.383  -6.044  -6.044
    7   2HD   PRO   6          1HD       PRO   6 -15.432  -5.856  -5.856
    8    H    TRP   7           H        TRP   7 -12.023  -1.624  -1.624
    9    HA   TRP   7           HA       TRP   7 -11.738  -1.100  -1.100
   10   1HB   TRP   7          2HB       TRP   7 -11.042   0.435   0.435
   11   2HB   TRP   7          1HB       TRP   7  -9.808  -0.733  -0.733
   12    HD1  TRP   7           HD1      TRP   7 -10.393  -0.508  -0.508
   13    HE1  TRP   7           HE1      TRP   7  -8.438   0.729   0.729
   14    HE3  TRP   7           HE3      TRP   7  -7.992   1.327   1.327
   15    HZ2  TRP   7           HZ2      TRP   7  -6.161   2.290   2.290
   16    HZ3  TRP   7           HZ3      TRP   7  -5.933   2.687   2.687
   17    HH2  TRP   7           HH2      TRP   7  -5.016   3.169   3.169
   18    H    ALA   8           H        ALA   8 -10.826  -2.490  -2.490
   19    HA   ALA   8           HA       ALA   8  -9.893  -5.054  -5.054
   20   1HB   ALA   8          3HB       ALA   8  -9.114  -2.949  -2.949
   21   2HB   ALA   8          2HB       ALA   8  -8.622  -4.636  -4.636
   22   3HB   ALA   8          1HB       ALA   8 -10.333  -4.212  -4.212
   23    H    VAL   9           H        VAL   9  -8.195  -2.056  -2.056
   24    HA   VAL   9           HA       VAL   9  -5.635  -3.529  -3.529
   25    HB   VAL   9           HB       VAL   9  -6.375  -0.604  -0.604
   26   1HG1  VAL   9          2HG1      VAL   9  -4.277  -1.492  -1.492
   27   2HG1  VAL   9          1HG1      VAL   9  -3.535  -1.428  -1.428
   28   3HG1  VAL   9          3HG1      VAL   9  -4.264   0.021   0.021
   29   1HG2  VAL   9          2HG2      VAL   9  -5.005  -2.670  -2.670
   30   2HG2  VAL   9          1HG2      VAL   9  -6.422  -1.692  -1.692
   31   3HG2  VAL   9          3HG2      VAL   9  -4.830  -0.940  -0.940
   32    H    LYS  10           H        LYS  10  -4.922  -3.871  -3.871
   33    HA   LYS  10           HA       LYS  10  -6.489  -2.782  -2.782
   34   1HB   LYS  10          2HB       LYS  10  -4.164  -4.733  -4.733
   35   2HB   LYS  10          1HB       LYS  10  -5.453  -4.601  -4.601
   36   1HG   LYS  10          2HG       LYS  10  -6.777  -5.017  -5.017
   37   2HG   LYS  10          1HG       LYS  10  -5.404  -6.125  -6.125
   38   1HD   LYS  10          2HD       LYS  10  -6.230  -7.398  -7.398
   39   2HD   LYS  10          1HD       LYS  10  -6.832  -5.995  -5.995
   40   1HE   LYS  10          2HE       LYS  10  -8.416  -6.118  -6.118
   41   2HE   LYS  10          1HE       LYS  10  -8.295  -7.791  -7.791
   42   1HZ   LYS  10          2HZ       LYS  10  -8.799  -5.517  -5.517
   43   2HZ   LYS  10          1HZ       LYS  10 -10.068  -6.357  -6.357
   44   3HZ   LYS  10          3HZ       LYS  10  -9.019  -7.174  -7.174
   45    HA   PRO  11           HA       PRO  11  -3.406   0.083   0.083
   46   1HB   PRO  11          2HB       PRO  11  -2.777  -0.594  -0.594
   47   2HB   PRO  11          1HB       PRO  11  -4.293   0.210   0.210
   48   1HG   PRO  11          2HG       PRO  11  -3.768  -2.681  -2.681
   49   2HG   PRO  11          1HG       PRO  11  -5.136  -1.674  -1.674
   50   1HD   PRO  11          2HD       PRO  11  -5.318  -3.365  -3.365
   51   2HD   PRO  11          1HD       PRO  11  -6.175  -1.811  -1.811
   52    H    GLU  12           H        GLU  12  -2.581  -3.282  -3.282
   53    HA   GLU  12           HA       GLU  12   0.266  -2.915  -2.915
   54   1HB   GLU  12          2HB       GLU  12   0.246  -5.392  -5.392
   55   2HB   GLU  12          1HB       GLU  12  -0.943  -4.887  -4.887
   56   1HG   GLU  12          2HG       GLU  12  -2.749  -5.172  -5.172
   57   2HG   GLU  12          1HG       GLU  12  -1.706  -5.125  -5.125
   58    H    ASP  13           H        ASP  13  -1.973  -3.195  -3.195
   59    HA   ASP  13           HA       ASP  13   0.117  -3.702  -3.702
   60   1HB   ASP  13          2HB       ASP  13  -2.788  -3.691  -3.691
   61   2HB   ASP  13          1HB       ASP  13  -2.270  -2.857  -2.857
   62    H    LYS  14           H        LYS  14  -1.885  -1.028  -1.028
   63    HA   LYS  14           HA       LYS  14  -0.935   0.908   0.908
   64   1HB   LYS  14          2HB       LYS  14  -3.075   1.144   1.144
   65   2HB   LYS  14          1HB       LYS  14  -2.300   1.084   1.084
   66   1HG   LYS  14          2HG       LYS  14  -2.367   3.353   3.353
   67   2HG   LYS  14          1HG       LYS  14  -0.947   3.151   3.151
   68   1HD   LYS  14          2HD       LYS  14  -2.250   3.264   3.264
   69   2HD   LYS  14          1HD       LYS  14  -3.761   3.110   3.110
   70   1HE   LYS  14          2HE       LYS  14  -1.890   5.421   5.421
   71   2HE   LYS  14          1HE       LYS  14  -3.087   5.496   5.496
   72   1HZ   LYS  14          3HZ       LYS  14  -4.709   4.629   4.629
   73   2HZ   LYS  14          2HZ       LYS  14  -3.549   5.106   5.106
   74   3HZ   LYS  14          1HZ       LYS  14  -4.246   6.257   6.257
   75    H    ALA  15           H        ALA  15   0.337  -0.469  -0.469
   76    HA   ALA  15           HA       ALA  15   2.043   1.752   1.752
   77   1HB   ALA  15          3HB       ALA  15   1.553  -1.098  -1.098
   78   2HB   ALA  15          2HB       ALA  15   3.186  -0.521  -0.521
   79   3HB   ALA  15          1HB       ALA  15   1.799   0.278   0.278
   80    H    LYS  16           H        LYS  16   2.344  -1.122  -1.122
   81    HA   LYS  16           HA       LYS  16   5.172  -0.650  -0.650
   82   1HB   LYS  16          2HB       LYS  16   3.257  -2.406  -2.406
   83   2HB   LYS  16          1HB       LYS  16   4.951  -2.709  -2.709
   84   1HG   LYS  16          2HG       LYS  16   3.775  -2.465  -2.465
   85   2HG   LYS  16          1HG       LYS  16   2.530  -3.293  -3.293
   86   1HD   LYS  16          2HD       LYS  16   5.215  -4.354  -4.354
   87   2HD   LYS  16          1HD       LYS  16   4.729  -4.510  -4.510
   88   1HE   LYS  16          2HE       LYS  16   2.693  -5.688  -5.688
   89   2HE   LYS  16          1HE       LYS  16   3.033  -5.416  -5.416
   90   1HZ   LYS  16          3HZ       LYS  16   5.189  -6.572  -6.572
   91   2HZ   LYS  16          2HZ       LYS  16   3.850  -7.584  -7.584
   92   3HZ   LYS  16          1HZ       LYS  16   4.693  -6.925  -6.925
   93    H    TYR  17           H        TYR  17   1.975  -0.235  -0.235
   94    HA   TYR  17           HA       TYR  17   2.830   0.809   0.809
   95   1HB   TYR  17          2HB       TYR  17   0.332   1.324   1.324
   96   2HB   TYR  17          1HB       TYR  17   0.499   1.612   1.612
   97    HD1  TYR  17           HD1      TYR  17   2.390  -1.252  -1.252
   98    HD2  TYR  17           HD2      TYR  17  -1.699   0.056   0.056
   99    HE1  TYR  17           HE1      TYR  17   1.662  -3.573  -3.573
  100    HE2  TYR  17           HE2      TYR  17  -2.429  -2.265  -2.265
  101    HH   TYR  17           HH       TYR  17  -0.206  -4.751  -4.751
  102    H    ASP  18           H        ASP  18   2.592   2.006   2.006
  103    HA   ASP  18           HA       ASP  18   2.678   4.858   4.858
  104   1HB   ASP  18          2HB       ASP  18   1.441   4.313   4.313
  105   2HB   ASP  18          1HB       ASP  18   2.727   3.270   3.270
  106    H    ALA  19           H        ALA  19   4.910   2.290   2.290
  107    HA   ALA  19           HA       ALA  19   7.161   4.116   4.116
  108   1HB   ALA  19          3HB       ALA  19   6.720   1.142   1.142
  109   2HB   ALA  19          2HB       ALA  19   8.356   1.797   1.797
  110   3HB   ALA  19          1HB       ALA  19   7.266   2.029   2.029
  111    H    ILE  20           H        ILE  20   5.676   2.375   2.375
  112    HA   ILE  20           HA       ILE  20   7.842   2.786   2.786
  113    HB   ILE  20           HB       ILE  20   5.020   1.697   1.697
  114   1HG1  ILE  20          2HG1      ILE  20   7.461   0.259   0.259
  115   2HG1  ILE  20          1HG1      ILE  20   7.244   0.479   0.479
  116   1HG2  ILE  20          2HG2      ILE  20   5.491   2.949   2.949
  117   2HG2  ILE  20          1HG2      ILE  20   6.764   1.770   1.770
  118   3HG2  ILE  20          3HG2      ILE  20   5.087   1.245   1.245
  119   1HD1  ILE  20          1HD1      ILE  20   5.081  -0.656  -0.656
  120   2HD1  ILE  20          3HD1      ILE  20   6.264  -1.670  -1.670
  121   3HD1  ILE  20          2HD1      ILE  20   5.143  -0.676  -0.676
  122    H    PHE  21           H        PHE  21   4.798   4.227   4.227
  123    HA   PHE  21           HA       PHE  21   4.563   6.100   6.100
  124   1HB   PHE  21          2HB       PHE  21   2.526   5.721   5.721
  125   2HB   PHE  21          1HB       PHE  21   3.263   5.445   5.445
  126    HD1  PHE  21           HD2      PHE  21   4.190   7.480   7.480
  127    HD2  PHE  21           HD1      PHE  21   1.537   7.801   7.801
  128    HE1  PHE  21           HE2      PHE  21   3.598   9.786   9.786
  129    HE2  PHE  21           HE1      PHE  21   0.943  10.107  10.107
  130    HZ   PHE  21           HZ       PHE  21   1.979  11.100  11.100
  131    H    ASP  22           H        ASP  22   5.808   6.190   6.190
  132    HA   ASP  22           HA       ASP  22   6.640   9.000   9.000
  133   1HB   ASP  22          2HB       ASP  22   5.868   8.282   8.282
  134   2HB   ASP  22          1HB       ASP  22   6.794   6.780   6.780
  135    H    SER  23           H        SER  23   7.847   6.151   6.151
  136    HA   SER  23           HA       SER  23  10.710   6.689   6.689
  137   1HB   SER  23          2HB       SER  23  10.524   4.421   4.421
  138   2HB   SER  23          1HB       SER  23   8.978   4.527   4.527
  139    HG   SER  23           HG       SER  23  11.518   4.257   4.257
  140    H    LEU  24           H        LEU  24   8.325   7.729   7.729
  141    HA   LEU  24           HA       LEU  24  10.223   8.277   8.277
  142   1HB   LEU  24          2HB       LEU  24   7.281   8.829   8.829
  143   2HB   LEU  24          1HB       LEU  24   8.337   8.217   8.217
  144    HG   LEU  24           HG       LEU  24   7.513   6.620   6.620
  145   1HD1  LEU  24          1HD1      LEU  24   5.575   7.184   7.184
  146   2HD1  LEU  24          3HD1      LEU  24   6.434   6.496   6.496
  147   3HD1  LEU  24          2HD1      LEU  24   5.951   5.462   5.462
  148   1HD2  LEU  24          1HD2      LEU  24   9.189   6.149   6.149
  149   2HD2  LEU  24          3HD2      LEU  24   9.402   5.541   5.541
  150   3HD2  LEU  24          2HD2      LEU  24   8.200   4.809   4.809
  151    H    SER  25           H        SER  25   8.758   9.642   9.642
  152    HA   SER  25           HA       SER  25   8.965  11.862  11.862
  153   1HB   SER  25          2HB       SER  25  10.453  13.202  13.202
  154   2HB   SER  25          1HB       SER  25  10.685  11.830  11.830
  155    HG   SER  25           HG       SER  25  10.068  13.990  13.990
  156    HA   PRO  26           HA       PRO  26   4.768  12.312  12.312
  157   1HB   PRO  26          2HB       PRO  26   3.645  12.888  12.888
  158   2HB   PRO  26          1HB       PRO  26   3.971  11.230  11.230
  159   1HG   PRO  26          2HG       PRO  26   5.501  12.940  12.940
  160   2HG   PRO  26          1HG       PRO  26   5.184  11.200  11.200
  161   1HD   PRO  26          2HD       PRO  26   7.554  12.299  12.299
  162   2HD   PRO  26          1HD       PRO  26   6.962  10.705  10.705
  163    H    VAL  27           H        VAL  27   3.568  14.205  14.205
  164    HA   VAL  27           HA       VAL  27   4.801  16.753  16.753
  165    HB   VAL  27           HB       VAL  27   3.366  16.182  16.182
  166   1HG1  VAL  27          3HG1      VAL  27   4.973  18.575  18.575
  167   2HG1  VAL  27          2HG1      VAL  27   4.275  18.388  18.388
  168   3HG1  VAL  27          1HG1      VAL  27   3.221  18.529  18.529
  169   1HG2  VAL  27          3HG2      VAL  27   6.031  15.564  15.564
  170   2HG2  VAL  27          2HG2      VAL  27   5.327  15.366  15.366
  171   3HG2  VAL  27          1HG2      VAL  27   6.123  16.878  16.878
  172    H    ASN  28           H        ASN  28   3.377  17.212  17.212
  173    HA   ASN  28           HA       ASN  28   1.357  17.962  17.962
  174   1HB   ASN  28          2HB       ASN  28   1.365  19.156  19.156
  175   2HB   ASN  28          1HB       ASN  28   0.238  17.904  17.904
  176   1HD2  ASN  28          1HD2      ASN  28  -1.543  17.560  17.560
  177   2HD2  ASN  28          2HD2      ASN  28  -2.277  19.012  19.012
  178    H    GLY  29           H        GLY  29   2.016  15.078  15.078
  179   1HA   GLY  29          2HA       GLY  29   0.887  13.084  13.084
  180   2HA   GLY  29          1HA       GLY  29  -0.636  13.976  13.976
  181    H    PHE  30           H        PHE  30   1.687  13.945  13.945
  182    HA   PHE  30           HA       PHE  30  -0.038  12.156  12.156
  183   1HB   PHE  30          2HB       PHE  30   0.572  15.064  15.064
  184   2HB   PHE  30          1HB       PHE  30  -0.141  13.952  13.952
  185    HD1  PHE  30           HD2      PHE  30  -2.316  12.827  12.827
  186    HD2  PHE  30           HD1      PHE  30  -0.737  16.049  16.049
  187    HE1  PHE  30           HE2      PHE  30  -4.564  13.204  13.204
  188    HE2  PHE  30           HE1      PHE  30  -2.968  16.423  16.423
  189    HZ   PHE  30           HZ       PHE  30  -4.888  15.003  15.003
  190    H    LEU  31           H        LEU  31   1.009  11.520  11.520
  191    HA   LEU  31           HA       LEU  31   3.929  12.154  12.154
  192   1HB   LEU  31          2HB       LEU  31   2.552   9.460   9.460
  193   2HB   LEU  31          1HB       LEU  31   4.208   9.688   9.688
  194    HG   LEU  31           HG       LEU  31   3.472  10.820  10.820
  195   1HD1  LEU  31          3HD1      LEU  31   4.043   7.890   7.890
  196   2HD1  LEU  31          2HD1      LEU  31   4.025   8.639   8.639
  197   3HD1  LEU  31          1HD1      LEU  31   2.544   8.558   8.558
  198   1HD2  LEU  31          1HD2      LEU  31   5.862  10.029  10.029
  199   2HD2  LEU  31          3HD2      LEU  31   5.679  11.276  11.276
  200   3HD2  LEU  31          2HD2      LEU  31   5.919   9.590   9.590
  201    H    SER  32           H        SER  32   4.455  12.722  12.722
  202    HA   SER  32           HA       SER  32   2.459  12.754  12.754
  203   1HB   SER  32          2HB       SER  32   4.792  13.354  13.354
  204   2HB   SER  32          1HB       SER  32   3.918  14.505  14.505
  205    HG   SER  32           HG       SER  32   5.430  14.356  14.356
  206    H    GLY  33           H        GLY  33   2.230  11.360  11.360
  207   1HA   GLY  33          2HA       GLY  33   2.954   8.691   8.691
  208   2HA   GLY  33          1HA       GLY  33   2.717   9.554   9.554
  209    H    ASP  34           H        ASP  34   4.930  11.416  11.416
  210    HA   ASP  34           HA       ASP  34   7.065  10.041  10.041
  211   1HB   ASP  34          2HB       ASP  34   6.600  12.529  12.529
  212   2HB   ASP  34          1HB       ASP  34   7.248  12.451  12.451
  213    H    LYS  35           H        LYS  35   6.052   9.994   9.994
  214    HA   LYS  35           HA       LYS  35   8.680   8.853   8.853
  215   1HB   LYS  35          2HB       LYS  35   6.488   9.709   9.709
  216   2HB   LYS  35          1HB       LYS  35   8.237   9.774   9.774
  217   1HG   LYS  35          2HG       LYS  35   8.413  11.613  11.613
  218   2HG   LYS  35          1HG       LYS  35   6.683  11.513  11.513
  219   1HD   LYS  35          2HD       LYS  35   7.300  13.339  13.339
  220   2HD   LYS  35          1HD       LYS  35   6.147  12.171  12.171
  221   1HE   LYS  35          2HE       LYS  35   7.879  12.599  12.599
  222   2HE   LYS  35          1HE       LYS  35   8.081  10.948  10.948
  223   1HZ   LYS  35          2HZ       LYS  35   9.409  13.225  13.225
  224   2HZ   LYS  35          1HZ       LYS  35  10.124  12.490  12.490
  225   3HZ   LYS  35          3HZ       LYS  35   9.824  11.579  11.579
  226    H    VAL  36           H        VAL  36   5.194   8.412   8.412
  227    HA   VAL  36           HA       VAL  36   5.367   5.746   5.746
  228    HB   VAL  36           HB       VAL  36   3.091   7.379   7.379
  229   1HG1  VAL  36          1HG1      VAL  36   3.265   4.689   4.689
  230   2HG1  VAL  36          3HG1      VAL  36   1.942   5.717   5.717
  231   3HG1  VAL  36          2HG1      VAL  36   2.100   5.319   5.319
  232   1HG2  VAL  36          1HG2      VAL  36   4.098   6.996   6.996
  233   2HG2  VAL  36          3HG2      VAL  36   4.147   8.490   8.490
  234   3HG2  VAL  36          2HG2      VAL  36   2.598   7.821   7.821
  235    H    LYS  37           H        LYS  37   4.359   7.171   7.171
  236    HA   LYS  37           HA       LYS  37   3.552   4.909   4.909
  237   1HB   LYS  37          2HB       LYS  37   3.770   7.365   7.365
  238   2HB   LYS  37          1HB       LYS  37   5.432   6.975   6.975
  239   1HG   LYS  37          2HG       LYS  37   4.248   4.941   4.941
  240   2HG   LYS  37          1HG       LYS  37   2.879   6.052   6.052
  241   1HD   LYS  37          2HD       LYS  37   3.793   7.087   7.087
  242   2HD   LYS  37          1HD       LYS  37   5.117   7.603   7.603
  243   1HE   LYS  37          2HE       LYS  37   6.349   5.527   5.527
  244   2HE   LYS  37          1HE       LYS  37   5.014   4.976   4.976
  245   1HZ   LYS  37          3HZ       LYS  37   6.064   7.668   7.668
  246   2HZ   LYS  37          2HZ       LYS  37   7.013   6.363   6.363
  247   3HZ   LYS  37          1HZ       LYS  37   5.429   6.558   6.558
  248    HA   PRO  38           HA       PRO  38   8.121   3.773   3.773
  249   1HB   PRO  38          2HB       PRO  38  10.023   4.784   4.784
  250   2HB   PRO  38          1HB       PRO  38   9.563   5.579   5.579
  251   1HG   PRO  38          2HG       PRO  38   8.714   6.185   6.185
  252   2HG   PRO  38          1HG       PRO  38   9.118   7.294   7.294
  253   1HD   PRO  38          2HD       PRO  38   6.578   6.744   6.744
  254   2HD   PRO  38          1HD       PRO  38   7.038   7.129   7.129
  255    H    VAL  39           H        VAL  39   7.144   4.409   4.409
  256    HA   VAL  39           HA       VAL  39   8.469   2.218   2.218
  257    HB   VAL  39           HB       VAL  39   6.280   4.175   4.175
  258   1HG1  VAL  39          3HG1      VAL  39   6.455   1.501   1.501
  259   2HG1  VAL  39          2HG1      VAL  39   6.026   2.911   2.911
  260   3HG1  VAL  39          1HG1      VAL  39   5.031   2.455   2.455
  261   1HG2  VAL  39          3HG2      VAL  39   8.963   3.887   3.887
  262   2HG2  VAL  39          2HG2      VAL  39   7.835   5.038   5.038
  263   3HG2  VAL  39          1HG2      VAL  39   8.112   3.479   3.479
  264    H    LEU  40           H        LEU  40   5.433   2.500   2.500
  265    HA   LEU  40           HA       LEU  40   4.498  -0.166  -0.166
  266   1HB   LEU  40          2HB       LEU  40   3.597   1.628   1.628
  267   2HB   LEU  40          1HB       LEU  40   2.662   0.359   0.359
  268    HG   LEU  40           HG       LEU  40   3.584   2.971   2.971
  269   1HD1  LEU  40          1HD1      LEU  40   0.948   1.755   1.755
  270   2HD1  LEU  40          3HD1      LEU  40   1.018   2.952   2.952
  271   3HD1  LEU  40          2HD1      LEU  40   1.562   3.376   3.376
  272   1HD2  LEU  40          3HD2      LEU  40   2.349   0.539   0.539
  273   2HD2  LEU  40          2HD2      LEU  40   3.936   1.230   1.230
  274   3HD2  LEU  40          1HD2      LEU  40   2.473   2.121   2.121
  275    H    LEU  41           H        LEU  41   6.695   1.132   1.132
  276    HA   LEU  41           HA       LEU  41   6.437  -0.937  -0.937
  277   1HB   LEU  41          2HB       LEU  41   8.395   1.241   1.241
  278   2HB   LEU  41          1HB       LEU  41   8.762   0.092   0.092
  279    HG   LEU  41           HG       LEU  41   6.204   1.704   1.704
  280   1HD1  LEU  41          3HD1      LEU  41   8.702   2.789   2.789
  281   2HD1  LEU  41          2HD1      LEU  41   8.266   2.383   2.383
  282   3HD1  LEU  41          1HD1      LEU  41   7.227   3.446   3.446
  283   1HD2  LEU  41          3HD2      LEU  41   6.647  -0.544  -0.544
  284   2HD2  LEU  41          2HD2      LEU  41   5.760   0.798   0.798
  285   3HD2  LEU  41          1HD2      LEU  41   7.468   0.564   0.564
  286    H    ASN  42           H        ASN  42   8.139  -0.476  -0.476
  287    HA   ASN  42           HA       ASN  42  10.202  -2.430  -2.430
  288   1HB   ASN  42          2HB       ASN  42   8.662  -1.422  -1.422
  289   2HB   ASN  42          1HB       ASN  42  10.163  -2.346  -2.346
  290   1HD2  ASN  42          1HD2      ASN  42   8.776   0.762   0.762
  291   2HD2  ASN  42          2HD2      ASN  42  10.255   1.586   1.586
  292    H    SER  43           H        SER  43   6.787  -2.762  -2.762
  293    HA   SER  43           HA       SER  43   6.786  -5.391  -5.391
  294   1HB   SER  43          2HB       SER  43   4.451  -4.685  -4.685
  295   2HB   SER  43          1HB       SER  43   4.584  -4.901  -4.901
  296    HG   SER  43           HG       SER  43   4.353  -2.646  -2.646
  297    H    LYS  44           H        LYS  44   7.846  -4.459  -4.459
  298    HA   LYS  44           HA       LYS  44   8.318  -5.693  -5.693
  299   1HB   LYS  44          2HB       LYS  44   8.766  -7.389  -7.389
  300   2HB   LYS  44          1HB       LYS  44   7.173  -8.049  -8.049
  301   1HG   LYS  44          2HG       LYS  44   7.831  -8.526  -8.526
  302   2HG   LYS  44          1HG       LYS  44   9.373  -7.699  -7.699
  303   1HD   LYS  44          2HD       LYS  44   9.394  -9.518  -9.518
  304   2HD   LYS  44          1HD       LYS  44   8.570 -10.419 -10.419
  305   1HE   LYS  44          2HE       LYS  44  10.851  -8.972  -8.972
  306   2HE   LYS  44          1HE       LYS  44  11.343 -10.058 -10.058
  307   1HZ   LYS  44          2HZ       LYS  44   9.330 -11.092 -11.092
  308   2HZ   LYS  44          1HZ       LYS  44  10.884 -10.906 -10.906
  309   3HZ   LYS  44          3HZ       LYS  44  10.657 -11.880 -11.880
  310    H    LEU  45           H        LEU  45   5.403  -4.822  -4.822
  311    HA   LEU  45           HA       LEU  45   3.707  -6.500  -6.500
  312   1HB   LEU  45          2HB       LEU  45   3.385  -4.235  -4.235
  313   2HB   LEU  45          1HB       LEU  45   2.066  -4.606  -4.606
  314    HG   LEU  45           HG       LEU  45   3.378  -6.563  -6.563
  315   1HD1  LEU  45          3HD1      LEU  45   1.338  -4.630  -4.630
  316   2HD1  LEU  45          2HD1      LEU  45   0.543  -6.203  -6.203
  317   3HD1  LEU  45          1HD1      LEU  45   1.833  -5.912  -5.912
  318   1HD2  LEU  45          1HD2      LEU  45   1.980  -7.011  -7.011
  319   2HD2  LEU  45          3HD2      LEU  45   2.421  -8.208  -8.208
  320   3HD2  LEU  45          2HD2      LEU  45   0.856  -7.400  -7.400
  321    HA   PRO  46           HA       PRO  46   3.945  -3.894  -3.894
  322   1HB   PRO  46          2HB       PRO  46   1.432  -4.202  -4.202
  323   2HB   PRO  46          1HB       PRO  46   2.681  -5.459  -5.459
  324   1HG   PRO  46          2HG       PRO  46   0.335  -5.233  -5.233
  325   2HG   PRO  46          1HG       PRO  46   1.096  -6.669  -6.669
  326   1HD   PRO  46          2HD       PRO  46   1.442  -5.820  -5.820
  327   2HD   PRO  46          1HD       PRO  46   2.572  -6.869  -6.869
  328    H    VAL  47           H        VAL  47   3.125  -1.874  -1.874
  329    HA   VAL  47           HA       VAL  47   2.434   0.115   0.115
  330    HB   VAL  47           HB       VAL  47   2.276  -0.092  -0.092
  331   1HG1  VAL  47          1HG1      VAL  47   1.703   2.261   2.261
  332   2HG1  VAL  47          3HG1      VAL  47   2.178   2.461   2.461
  333   3HG1  VAL  47          2HG1      VAL  47   0.685   1.613   1.613
  334   1HG2  VAL  47          3HG2      VAL  47   4.349   0.379   0.379
  335   2HG2  VAL  47          2HG2      VAL  47   4.488   0.296   0.296
  336   3HG2  VAL  47          1HG2      VAL  47   4.135   1.836   1.836
  337    H    ASP  48           H        ASP  48   0.397  -2.247  -2.247
  338    HA   ASP  48           HA       ASP  48  -2.052  -0.688  -0.688
  339   1HB   ASP  48          2HB       ASP  48  -1.097  -3.255  -3.255
  340   2HB   ASP  48          1HB       ASP  48  -2.427  -3.502  -3.502
  341    H    ILE  49           H        ILE  49  -0.495  -2.924  -2.924
  342    HA   ILE  49           HA       ILE  49  -2.516  -2.924  -2.924
  343    HB   ILE  49           HB       ILE  49   0.494  -3.105  -3.105
  344   1HG1  ILE  49          2HG1      ILE  49  -0.071  -4.614  -4.614
  345   2HG1  ILE  49          1HG1      ILE  49   0.060  -5.593  -5.593
  346   1HG2  ILE  49          3HG2      ILE  49  -1.864  -3.740  -3.740
  347   2HG2  ILE  49          2HG2      ILE  49  -0.570  -4.939  -4.939
  348   3HG2  ILE  49          1HG2      ILE  49  -0.233  -3.274  -3.274
  349   1HD1  ILE  49          1HD1      ILE  49  -2.547  -4.498  -4.498
  350   2HD1  ILE  49          3HD1      ILE  49  -1.966  -6.144  -6.144
  351   3HD1  ILE  49          2HD1      ILE  49  -2.360  -5.590  -5.590
  352    H    LEU  50           H        LEU  50   0.326  -0.918  -0.918
  353    HA   LEU  50           HA       LEU  50   0.061   0.790   0.790
  354   1HB   LEU  50          2HB       LEU  50   1.274   1.375   1.375
  355   2HB   LEU  50          1HB       LEU  50   1.724   2.114   2.114
  356    HG   LEU  50           HG       LEU  50   2.192  -0.726  -0.726
  357   1HD1  LEU  50          2HD1      LEU  50   3.835   1.158   1.158
  358   2HD1  LEU  50          1HD1      LEU  50   4.072   1.281   1.281
  359   3HD1  LEU  50          3HD1      LEU  50   4.496  -0.208  -0.208
  360   1HD2  LEU  50          3HD2      LEU  50   1.744   0.315   0.315
  361   2HD2  LEU  50          2HD2      LEU  50   1.703  -1.346  -1.346
  362   3HD2  LEU  50          1HD2      LEU  50   3.245  -0.591  -0.591
  363    H    GLY  51           H        GLY  51  -1.539   0.647   0.647
  364   1HA   GLY  51          2HA       GLY  51  -2.531   3.412   3.412
  365   2HA   GLY  51          1HA       GLY  51  -2.991   2.213   2.213
  366    H    ARG  52           H        ARG  52  -3.452   0.229   0.229
  367    HA   ARG  52           HA       ARG  52  -6.223   1.087   1.087
  368   1HB   ARG  52          2HB       ARG  52  -4.876  -1.300  -1.300
  369   2HB   ARG  52          1HB       ARG  52  -5.592  -1.589  -1.589
  370   1HG   ARG  52          2HG       ARG  52  -7.713  -0.470  -0.470
  371   2HG   ARG  52          1HG       ARG  52  -6.957  -0.799  -0.799
  372   1HD   ARG  52          2HD       ARG  52  -6.884  -3.084  -3.084
  373   2HD   ARG  52          1HD       ARG  52  -8.516  -2.608  -2.608
  374    HE   ARG  52           HE       ARG  52  -7.945  -3.508  -3.508
  375   1HH1  ARG  52          1HH2      ARG  52  -5.445  -4.803  -4.803
  376   2HH1  ARG  52          2HH2      ARG  52  -4.246  -4.002  -4.002
  377   1HH2  ARG  52          2HH1      ARG  52  -6.299  -1.320  -1.320
  378   2HH2  ARG  52          1HH1      ARG  52  -4.731  -2.025  -2.025
  379    H    VAL  53           H        VAL  53  -3.586  -0.712  -0.712
  380    HA   VAL  53           HA       VAL  53  -4.500  -0.568  -0.568
  381    HB   VAL  53           HB       VAL  53  -1.727  -0.330  -0.330
  382   1HG1  VAL  53          3HG1      VAL  53  -2.272   0.466   0.466
  383   2HG1  VAL  53          2HG1      VAL  53  -2.008  -1.259  -1.259
  384   3HG1  VAL  53          1HG1      VAL  53  -0.748  -0.272  -0.272
  385   1HG2  VAL  53          2HG2      VAL  53  -3.464  -2.428  -2.428
  386   2HG2  VAL  53          1HG2      VAL  53  -1.712  -2.614  -2.614
  387   3HG2  VAL  53          3HG2      VAL  53  -2.615  -2.704  -2.704
  388    H    TRP  54           H        TRP  54  -2.918   1.977   1.977
  389    HA   TRP  54           HA       TRP  54  -2.711   3.868   3.868
  390   1HB   TRP  54          2HB       TRP  54  -1.278   4.086   4.086
  391   2HB   TRP  54          1HB       TRP  54  -2.666   4.113   4.113
  392    HD1  TRP  54           HD1      TRP  54  -4.383   6.255   6.255
  393    HE1  TRP  54           HE1      TRP  54  -3.847   8.700   8.700
  394    HE3  TRP  54           HE3      TRP  54   0.270   5.635   5.635
  395    HZ2  TRP  54           HZ2      TRP  54  -1.707  10.193  10.193
  396    HZ3  TRP  54           HZ3      TRP  54   1.537   7.583   7.583
  397    HH2  TRP  54           HH2      TRP  54   0.554   9.858   9.858
  398    H    GLU  55           H        GLU  55  -4.816   3.854   3.854
  399    HA   GLU  55           HA       GLU  55  -6.524   5.938   5.938
  400   1HB   GLU  55          2HB       GLU  55  -7.049   3.204   3.204
  401   2HB   GLU  55          1HB       GLU  55  -8.253   4.492   4.492
  402   1HG   GLU  55          2HG       GLU  55  -5.451   4.771   4.771
  403   2HG   GLU  55          1HG       GLU  55  -6.867   4.380   4.380
  404    H    LEU  56           H        LEU  56  -6.829   2.606   2.606
  405    HA   LEU  56           HA       LEU  56  -9.103   3.346   3.346
  406   1HB   LEU  56          2HB       LEU  56  -7.369   0.859   0.859
  407   2HB   LEU  56          1HB       LEU  56  -9.002   0.993   0.993
  408    HG   LEU  56           HG       LEU  56  -8.729   1.831   1.831
  409   1HD1  LEU  56          2HD1      LEU  56  -7.153  -0.150  -0.150
  410   2HD1  LEU  56          1HD1      LEU  56  -8.565  -1.111  -1.111
  411   3HD1  LEU  56          3HD1      LEU  56  -8.466  -0.366  -0.366
  412   1HD2  LEU  56          1HD2      LEU  56 -10.778   1.120   1.120
  413   2HD2  LEU  56          3HD2      LEU  56 -10.941   1.265   1.265
  414   3HD2  LEU  56          2HD2      LEU  56 -10.622  -0.309  -0.309
  415    H    SER  57           H        SER  57  -5.679   3.431   3.431
  416    HA   SER  57           HA       SER  57  -5.600   3.332   3.332
  417   1HB   SER  57          2HB       SER  57  -3.716   2.378   2.378
  418   2HB   SER  57          1HB       SER  57  -3.663   3.615   3.615
  419    HG   SER  57           HG       SER  57  -3.202   4.100   4.100
  420    H    ASP  58           H        ASP  58  -5.711   5.673   5.673
  421    HA   ASP  58           HA       ASP  58  -4.913   7.927   7.927
  422   1HB   ASP  58          2HB       ASP  58  -4.602   7.466   7.466
  423   2HB   ASP  58          1HB       ASP  58  -6.216   8.171   8.171
  424    H    ILE  59           H        ILE  59  -6.620   7.583   7.583
  425    HA   ILE  59           HA       ILE  59  -9.367   7.521   7.521
  426    HB   ILE  59           HB       ILE  59  -7.687   9.079   9.079
  427   1HG1  ILE  59          2HG1      ILE  59  -7.270   6.605   6.605
  428   2HG1  ILE  59          1HG1      ILE  59  -7.901   7.100   7.100
  429   1HG2  ILE  59          2HG2      ILE  59 -10.124   9.749   9.749
  430   2HG2  ILE  59          1HG2      ILE  59 -10.529   8.096   8.096
  431   3HG2  ILE  59          3HG2      ILE  59  -9.611   9.120   9.120
  432   1HD1  ILE  59          1HD1      ILE  59  -9.644   6.077   6.077
  433   2HD1  ILE  59          3HD1      ILE  59  -9.019   5.054   5.054
  434   3HD1  ILE  59          2HD1      ILE  59 -10.127   6.374   6.374
  435    H    ASP  60           H        ASP  60  -7.194  10.286  10.286
  436    HA   ASP  60           HA       ASP  60  -9.579  12.014  12.014
  437   1HB   ASP  60          2HB       ASP  60  -8.185  13.820  13.820
  438   2HB   ASP  60          1HB       ASP  60  -7.633  12.531  12.531
  439    H    HIS  61           H        HIS  61  -7.044  10.354  10.354
  440    HA   HIS  61           HA       HIS  61  -6.446  10.351  10.351
  441   1HB   HIS  61          2HB       HIS  61  -9.152  11.699  11.699
  442   2HB   HIS  61          1HB       HIS  61  -8.339  10.710  10.710
  443    HD1  HIS  61           HD1      HIS  61  -8.625   8.193   8.193
  444    HD2  HIS  61           HD2      HIS  61 -10.099  10.169  10.169
  445    HE1  HIS  61           HE1      HIS  61  -9.854   6.454   6.454
  446    H    ASP  62           H        ASP  62  -5.501  12.573  12.573
  447    HA   ASP  62           HA       ASP  62  -5.874  14.930  14.930
  448   1HB   ASP  62          2HB       ASP  62  -5.234  16.178  16.178
  449   2HB   ASP  62          1HB       ASP  62  -6.074  14.806  14.806
  450    H    GLY  63           H        GLY  63  -3.721  12.351  12.351
  451   1HA   GLY  63          2HA       GLY  63  -1.899  12.164  12.164
  452   2HA   GLY  63          1HA       GLY  63  -1.532  13.855  13.855
  453    H    MET  64           H        MET  64  -2.431  12.244  12.244
  454    HA   MET  64           HA       MET  64   0.339  11.372  11.372
  455   1HB   MET  64          2HB       MET  64  -1.055  13.101  13.101
  456   2HB   MET  64          1HB       MET  64   0.670  12.934  12.934
  457   1HG   MET  64          2HG       MET  64   0.162  14.089  14.089
  458   2HG   MET  64          1HG       MET  64  -1.374  14.542  14.542
  459   1HE   MET  64          1HE       MET  64   2.156  13.946  13.946
  460   2HE   MET  64          3HE       MET  64   2.557  15.321  15.321
  461   3HE   MET  64          2HE       MET  64   2.769  15.440  15.440
  462    H    LEU  65           H        LEU  65   0.404  10.105  10.105
  463    HA   LEU  65           HA       LEU  65  -2.266   8.871   8.871
  464   1HB   LEU  65          2HB       LEU  65   0.559   7.835   7.835
  465   2HB   LEU  65          1HB       LEU  65  -0.599   6.940   6.940
  466    HG   LEU  65           HG       LEU  65  -0.912   7.687   7.687
  467   1HD1  LEU  65          1HD1      LEU  65   0.170   5.389   5.389
  468   2HD1  LEU  65          3HD1      LEU  65  -1.206   4.926   4.926
  469   3HD1  LEU  65          2HD1      LEU  65   0.182   5.735   5.735
  470   1HD2  LEU  65          2HD2      LEU  65  -2.783   6.427   6.427
  471   2HD2  LEU  65          1HD2      LEU  65  -3.085   7.803   7.803
  472   3HD2  LEU  65          3HD2      LEU  65  -2.979   6.178   6.178
  473    H    ASP  66           H        ASP  66  -2.809   9.908   9.908
  474    HA   ASP  66           HA       ASP  66  -0.833  10.778  10.778
  475   1HB   ASP  66          2HB       ASP  66  -2.814  11.939  11.939
  476   2HB   ASP  66          1HB       ASP  66  -3.799  10.531  10.531
  477    H    ARG  67           H        ARG  67  -1.003   9.955   9.955
  478    HA   ARG  67           HA       ARG  67   0.074   7.407   7.407
  479   1HB   ARG  67          2HB       ARG  67  -0.463   7.688   7.688
  480   2HB   ARG  67          1HB       ARG  67  -0.123   9.284   9.284
  481   1HG   ARG  67          2HG       ARG  67  -2.639   9.491   9.491
  482   2HG   ARG  67          1HG       ARG  67  -2.820   8.066   8.066
  483   1HD   ARG  67          2HD       ARG  67  -1.584  10.726  10.726
  484   2HD   ARG  67          1HD       ARG  67  -3.077  10.005  10.005
  485    HE   ARG  67           HE       ARG  67  -0.354   8.820   8.820
  486   1HH1  ARG  67          1HH2      ARG  67  -3.026  10.148  10.148
  487   2HH1  ARG  67          2HH2      ARG  67  -3.215   8.887   8.887
  488   1HH2  ARG  67          2HH1      ARG  67  -0.861   6.805   6.805
  489   2HH2  ARG  67          1HH1      ARG  67  -1.993   6.998   6.998
  490    H    ASP  68           H        ASP  68  -3.376   8.272   8.272
  491    HA   ASP  68           HA       ASP  68  -4.193   5.495   5.495
  492   1HB   ASP  68          2HB       ASP  68  -5.478   8.180   8.180
  493   2HB   ASP  68          1HB       ASP  68  -6.476   6.730   6.730
  494    H    GLU  69           H        GLU  69  -3.962   7.693   7.693
  495    HA   GLU  69           HA       GLU  69  -5.435   5.967   5.967
  496   1HB   GLU  69          2HB       GLU  69  -3.450   8.174   8.174
  497   2HB   GLU  69          1HB       GLU  69  -4.819   7.661   7.661
  498   1HG   GLU  69          2HG       GLU  69  -6.324   8.339   8.339
  499   2HG   GLU  69          1HG       GLU  69  -4.912   9.073   9.073
  500    H    PHE  70           H        PHE  70  -2.020   6.728   6.728
  501    HA   PHE  70           HA       PHE  70  -0.894   5.009   5.009
  502   1HB   PHE  70          2HB       PHE  70   0.236   6.873   6.873
  503   2HB   PHE  70          1HB       PHE  70   0.174   5.903   5.903
  504    HD1  PHE  70           HD2      PHE  70   1.565   3.920   3.920
  505    HD2  PHE  70           HD1      PHE  70   1.727   6.273   6.273
  506    HE1  PHE  70           HE2      PHE  70   3.659   2.770   2.770
  507    HE2  PHE  70           HE1      PHE  70   3.822   5.123   5.123
  508    HZ   PHE  70           HZ       PHE  70   4.784   3.373   3.373
  509    H    ALA  71           H        ALA  71  -2.115   4.474   4.474
  510    HA   ALA  71           HA       ALA  71  -0.916   1.938   1.938
  511   1HB   ALA  71          3HB       ALA  71  -2.341   3.638   3.638
  512   2HB   ALA  71          2HB       ALA  71  -3.697   2.659   2.659
  513   3HB   ALA  71          1HB       ALA  71  -2.404   1.917   1.917
  514    H    VAL  72           H        VAL  72  -4.098   2.728   2.728
  515    HA   VAL  72           HA       VAL  72  -4.999   0.096   0.096
  516    HB   VAL  72           HB       VAL  72  -5.410   2.617   2.617
  517   1HG1  VAL  72          1HG1      VAL  72  -6.265   0.127   0.127
  518   2HG1  VAL  72          3HG1      VAL  72  -7.571   0.629   0.629
  519   3HG1  VAL  72          2HG1      VAL  72  -7.201   1.577   1.577
  520   1HG2  VAL  72          3HG2      VAL  72  -5.847   2.365   2.365
  521   2HG2  VAL  72          2HG2      VAL  72  -6.778   3.431   3.431
  522   3HG2  VAL  72          1HG2      VAL  72  -7.396   1.830   1.830
  523    H    ALA  73           H        ALA  73  -2.581   2.015   2.015
  524    HA   ALA  73           HA       ALA  73  -2.565   0.335   0.335
  525   1HB   ALA  73          3HB       ALA  73  -1.546   2.878   2.878
  526   2HB   ALA  73          2HB       ALA  73  -0.283   1.966   1.966
  527   3HB   ALA  73          1HB       ALA  73  -1.799   2.332   2.332
  528    H    MET  74           H        MET  74  -1.136   0.089   0.089
  529    HA   MET  74           HA       MET  74   1.307  -1.244  -1.244
  530   1HB   MET  74          2HB       MET  74   0.312  -1.109  -1.109
  531   2HB   MET  74          1HB       MET  74   1.976  -1.211  -1.211
  532   1HG   MET  74          2HG       MET  74   0.135   1.157   1.157
  533   2HG   MET  74          1HG       MET  74   1.819   1.048   1.048
  534   1HE   MET  74          1HE       MET  74   3.078  -0.428  -0.428
  535   2HE   MET  74          3HE       MET  74   2.929  -0.207  -0.207
  536   3HE   MET  74          2HE       MET  74   3.939   0.883   0.883
  537    H    PHE  75           H        PHE  75  -1.732  -2.174  -2.174
  538    HA   PHE  75           HA       PHE  75  -0.936  -4.993  -4.993
  539   1HB   PHE  75          2HB       PHE  75  -2.943  -5.269  -5.269
  540   2HB   PHE  75          1HB       PHE  75  -2.597  -3.573  -3.573
  541    HD1  PHE  75           HD1      PHE  75  -4.629  -5.910  -5.910
  542    HD2  PHE  75           HD2      PHE  75  -3.938  -1.809  -1.809
  543    HE1  PHE  75           HE1      PHE  75  -6.775  -5.277  -5.277
  544    HE2  PHE  75           HE2      PHE  75  -6.081  -1.172  -1.172
  545    HZ   PHE  75           HZ       PHE  75  -7.501  -2.910  -2.910
  546    H    LEU  76           H        LEU  76  -2.367  -2.804  -2.804
  547    HA   LEU  76           HA       LEU  76  -3.669  -4.809  -4.809
  548   1HB   LEU  76          2HB       LEU  76  -3.132  -1.876  -1.876
  549   2HB   LEU  76          1HB       LEU  76  -3.476  -2.606  -2.606
  550    HG   LEU  76           HG       LEU  76  -5.224  -3.058  -3.058
  551   1HD1  LEU  76          1HD1      LEU  76  -4.877  -0.611  -0.611
  552   2HD1  LEU  76          3HD1      LEU  76  -6.233  -1.293  -1.293
  553   3HD1  LEU  76          2HD1      LEU  76  -6.337  -1.116  -1.116
  554   1HD2  LEU  76          3HD2      LEU  76  -5.172  -4.565  -4.565
  555   2HD2  LEU  76          2HD2      LEU  76  -6.728  -4.039  -4.039
  556   3HD2  LEU  76          1HD2      LEU  76  -6.024  -3.214  -3.214
  557    H    VAL  77           H        VAL  77  -0.523  -3.337  -3.337
  558    HA   VAL  77           HA       VAL  77   0.403  -4.325  -4.325
  559    HB   VAL  77           HB       VAL  77   1.650  -2.761  -2.761
  560   1HG1  VAL  77          1HG1      VAL  77   2.839  -3.985  -3.985
  561   2HG1  VAL  77          3HG1      VAL  77   3.313  -2.321  -2.321
  562   3HG1  VAL  77          2HG1      VAL  77   3.595  -3.590  -3.590
  563   1HG2  VAL  77          1HG2      VAL  77  -0.156  -1.885  -1.885
  564   2HG2  VAL  77          3HG2      VAL  77   1.163  -0.864  -0.864
  565   3HG2  VAL  77          2HG2      VAL  77   1.295  -1.690  -1.690
  566    H    TYR  78           H        TYR  78   0.585  -5.169  -5.169
  567    HA   TYR  78           HA       TYR  78   2.746  -7.122  -7.122
  568   1HB   TYR  78          2HB       TYR  78   1.328  -5.845  -5.845
  569   2HB   TYR  78          1HB       TYR  78   1.735  -7.541  -7.541
  570    HD1  TYR  78           HD2      TYR  78   4.183  -8.081  -8.081
  571    HD2  TYR  78           HD1      TYR  78   2.929  -4.405  -4.405
  572    HE1  TYR  78           HE2      TYR  78   6.558  -7.445  -7.445
  573    HE2  TYR  78           HE1      TYR  78   5.297  -3.766  -3.766
  574    HH   TYR  78           HH       TYR  78   7.644  -5.443  -5.443
  575    H    CYS  79           H        CYS  79  -0.757  -7.062  -7.062
  576    HA   CYS  79           HA       CYS  79  -0.978  -9.984  -9.984
  577   1HB   CYS  79          2HB       CYS  79  -2.534  -7.998  -7.998
  578   2HB   CYS  79          1HB       CYS  79  -3.206  -8.128  -8.128
  579    HG   CYS  79           HG       CYS  79  -4.509 -10.037 -10.037
  580    H    ALA  80           H        ALA  80  -0.537  -7.659  -7.659
  581    HA   ALA  80           HA       ALA  80  -1.816  -9.255  -9.255
  582   1HB   ALA  80          2HB       ALA  80  -1.656  -6.710  -6.710
  583   2HB   ALA  80          1HB       ALA  80   0.063  -6.885  -6.885
  584   3HB   ALA  80          3HB       ALA  80  -1.136  -7.399  -7.399
  585    H    LEU  81           H        LEU  81   1.072  -9.323  -9.323
  586    HA   LEU  81           HA       LEU  81   2.780 -10.273 -10.273
  587   1HB   LEU  81          2HB       LEU  81   3.376 -10.278 -10.278
  588   2HB   LEU  81          1HB       LEU  81   4.502 -10.059 -10.059
  589    HG   LEU  81           HG       LEU  81   2.550  -8.105  -8.105
  590   1HD1  LEU  81          2HD1      LEU  81   5.275  -8.472  -8.472
  591   2HD1  LEU  81          1HD1      LEU  81   5.152  -7.222  -7.222
  592   3HD1  LEU  81          3HD1      LEU  81   4.426  -6.966  -6.966
  593   1HD2  LEU  81          1HD2      LEU  81   3.445  -8.323  -8.323
  594   2HD2  LEU  81          3HD2      LEU  81   1.908  -7.748  -7.748
  595   3HD2  LEU  81          2HD2      LEU  81   3.335  -6.716  -6.716
  596    H    GLU  82           H        GLU  82   1.538 -11.513 -11.513
  597    HA   GLU  82           HA       GLU  82   2.478 -14.190 -14.190
  598   1HB   GLU  82          2HB       GLU  82   0.921 -14.686 -14.686
  599   2HB   GLU  82          1HB       GLU  82   2.182 -13.495 -13.495
  600   1HG   GLU  82          2HG       GLU  82   0.568 -12.079 -12.079
  601   2HG   GLU  82          1HG       GLU  82   0.011 -12.016 -12.016
  602    H    LYS  83           H        LYS  83  -0.811 -12.767 -12.767
  603    HA   LYS  83           HA       LYS  83  -1.571 -14.187 -14.187
  604   1HB   LYS  83          2HB       LYS  83  -1.193 -15.885 -15.885
  605   2HB   LYS  83          1HB       LYS  83  -2.919 -15.561 -15.561
  606   1HG   LYS  83          2HG       LYS  83  -3.142 -17.177 -17.177
  607   2HG   LYS  83          1HG       LYS  83  -2.611 -15.932 -15.932
  608   1HD   LYS  83          2HD       LYS  83  -0.348 -16.680 -16.680
  609   2HD   LYS  83          1HD       LYS  83  -0.659 -17.697 -17.697
  610   1HE   LYS  83          2HE       LYS  83  -1.658 -19.367 -19.367
  611   2HE   LYS  83          1HE       LYS  83  -2.260 -18.227 -18.227
  612   1HZ   LYS  83          3HZ       LYS  83   0.627 -18.354 -18.354
  613   2HZ   LYS  83          2HZ       LYS  83  -0.095 -19.727 -19.727
  614   3HZ   LYS  83          1HZ       LYS  83  -0.299 -18.199 -18.199
  615    H    GLU  84           H        GLU  84  -2.505 -11.887 -11.887
  616    HA   GLU  84           HA       GLU  84  -5.333 -11.992 -11.992
  617   1HB   GLU  84          2HB       GLU  84  -3.722 -11.350 -11.350
  618   2HB   GLU  84          1HB       GLU  84  -3.870  -9.748  -9.748
  619   1HG   GLU  84          2HG       GLU  84  -5.676  -9.837  -9.837
  620   2HG   GLU  84          1HG       GLU  84  -6.416 -10.228 -10.228
  621    HA   PRO  85           HA       PRO  85  -4.906  -9.207  -9.207
  622   1HB   PRO  85          2HB       PRO  85  -7.545  -9.313  -9.313
  623   2HB   PRO  85          1HB       PRO  85  -6.383 -10.588 -10.588
  624   1HG   PRO  85          2HG       PRO  85  -8.432 -10.527 -10.527
  625   2HG   PRO  85          1HG       PRO  85  -7.894 -11.876 -11.876
  626   1HD   PRO  85          2HD       PRO  85  -7.097 -11.489 -11.489
  627   2HD   PRO  85          1HD       PRO  85  -6.157 -12.389 -12.389
  628    H    VAL  86           H        VAL  86  -5.851  -7.011  -7.011
  629    HA   VAL  86           HA       VAL  86  -7.108  -5.863  -5.863
  630    HB   VAL  86           HB       VAL  86  -5.257  -4.595  -4.595
  631   1HG1  VAL  86          1HG1      VAL  86  -6.930  -3.145  -3.145
  632   2HG1  VAL  86          3HG1      VAL  86  -5.959  -3.562  -3.562
  633   3HG1  VAL  86          2HG1      VAL  86  -5.227  -2.688  -2.688
  634   1HG2  VAL  86          2HG2      VAL  86  -4.813  -5.974  -5.974
  635   2HG2  VAL  86          1HG2      VAL  86  -3.861  -6.072  -6.072
  636   3HG2  VAL  86          3HG2      VAL  86  -3.760  -4.637  -4.637
  637    HA   PRO  87           HA       PRO  87 -10.257  -4.679  -4.679
  638   1HB   PRO  87          2HB       PRO  87 -12.135  -4.053  -4.053
  639   2HB   PRO  87          1HB       PRO  87 -11.742  -5.724  -5.724
  640   1HG   PRO  87          2HG       PRO  87 -11.114  -4.247  -4.247
  641   2HG   PRO  87          1HG       PRO  87 -11.147  -5.990  -5.990
  642   1HD   PRO  87          2HD       PRO  87  -8.864  -4.251  -4.251
  643   2HD   PRO  87          1HD       PRO  87  -8.899  -6.009  -6.009
  644    H    MET  88           H        MET  88 -11.004  -2.592  -2.592
  645    HA   MET  88           HA       MET  88  -9.597  -0.271  -0.271
  646   1HB   MET  88          2HB       MET  88 -11.785  -0.051  -0.051
  647   2HB   MET  88          1HB       MET  88 -10.234   0.778   0.778
  648   1HG   MET  88          2HG       MET  88  -9.204  -1.561  -1.561
  649   2HG   MET  88          1HG       MET  88 -10.830  -2.029  -2.029
  650   1HE   MET  88          2HE       MET  88 -12.270  -0.577  -0.577
  651   2HE   MET  88          1HE       MET  88 -11.729   1.013   1.013
  652   3HE   MET  88          3HE       MET  88 -11.671   0.582   0.582
  653    H    SER  89           H        SER  89 -12.171  -1.810  -1.810
  654    HA   SER  89           HA       SER  89 -13.801   0.655   0.655
  655   1HB   SER  89          2HB       SER  89 -14.340  -2.291  -2.291
  656   2HB   SER  89          1HB       SER  89 -15.499  -1.033  -1.033
  657    HG   SER  89           HG       SER  89 -15.090  -2.120  -2.120
  658    H    LEU  90           H        LEU  90 -13.054   1.716   1.716
  659    HA   LEU  90           HA       LEU  90 -11.768   0.670   0.670
  660   1HB   LEU  90          2HB       LEU  90 -13.035   3.120   3.120
  661   2HB   LEU  90          1HB       LEU  90 -13.349   2.852   2.852
  662    HG   LEU  90           HG       LEU  90 -10.624   2.736   2.736
  663   1HD1  LEU  90          1HD1      LEU  90 -11.583   5.029   5.029
  664   2HD1  LEU  90          3HD1      LEU  90 -11.834   4.844   4.844
  665   3HD1  LEU  90          2HD1      LEU  90 -10.198   4.858   4.858
  666   1HD2  LEU  90          1HD2      LEU  90 -11.445   1.498   1.498
  667   2HD2  LEU  90          3HD2      LEU  90  -9.794   2.046   2.046
  668   3HD2  LEU  90          2HD2      LEU  90 -10.911   3.059   3.059
  669    HA   PRO  91           HA       PRO  91 -15.385  -1.590  -1.590
  670   1HB   PRO  91          2HB       PRO  91 -13.997  -2.987  -2.987
  671   2HB   PRO  91          1HB       PRO  91 -14.042  -3.459  -3.459
  672   1HG   PRO  91          2HG       PRO  91 -11.932  -1.975  -1.975
  673   2HG   PRO  91          1HG       PRO  91 -11.765  -3.247  -3.247
  674   1HD   PRO  91          2HD       PRO  91 -11.407  -0.625  -0.625
  675   2HD   PRO  91          1HD       PRO  91 -12.050  -1.784  -1.784
  676    HA   PRO  92           HA       PRO  92 -16.321   0.881   0.881
  677   1HB   PRO  92          2HB       PRO  92 -18.072  -0.725  -0.725
  678   2HB   PRO  92          1HB       PRO  92 -18.483   0.085   0.085
  679   1HG   PRO  92          2HG       PRO  92 -17.744  -2.745  -2.745
  680   2HG   PRO  92          1HG       PRO  92 -18.882  -2.062  -2.062
  681   1HD   PRO  92          2HD       PRO  92 -16.337  -2.932  -2.932
  682   2HD   PRO  92          1HD       PRO  92 -17.269  -1.769  -1.769
  683    H    ALA  93           H        ALA  93 -14.951  -2.279  -2.279
  684    HA   ALA  93           HA       ALA  93 -14.516  -1.829  -1.829
  685   1HB   ALA  93          1HB       ALA  93 -14.065  -3.996  -3.996
  686   2HB   ALA  93          3HB       ALA  93 -13.177  -4.060  -4.060
  687   3HB   ALA  93          2HB       ALA  93 -14.941  -4.072  -4.072
  688    H    LEU  94           H        LEU  94 -13.211  -0.307  -0.307
  689    HA   LEU  94           HA       LEU  94 -10.382  -0.649  -0.649
  690   1HB   LEU  94          2HB       LEU  94 -11.731  -0.286  -0.286
  691   2HB   LEU  94          1HB       LEU  94 -10.189   0.548   0.548
  692    HG   LEU  94           HG       LEU  94  -9.929  -1.760  -1.760
  693   1HD1  LEU  94          1HD1      LEU  94  -8.723  -0.769  -0.769
  694   2HD1  LEU  94          3HD1      LEU  94  -8.445  -2.471  -2.471
  695   3HD1  LEU  94          2HD1      LEU  94  -7.945  -1.225  -1.225
  696   1HD2  LEU  94          2HD2      LEU  94 -11.917  -2.600  -2.600
  697   2HD2  LEU  94          1HD2      LEU  94 -10.518  -3.668  -3.668
  698   3HD2  LEU  94          3HD2      LEU  94 -10.767  -2.698  -2.698
  699    H    VAL  95           H        VAL  95 -13.018   1.574   1.574
  700    HA   VAL  95           HA       VAL  95 -11.439   4.014   4.014
  701    HB   VAL  95           HB       VAL  95 -14.383   3.469   3.469
  702   1HG1  VAL  95          1HG1      VAL  95 -12.755   5.959   5.959
  703   2HG1  VAL  95          3HG1      VAL  95 -14.447   5.897   5.897
  704   3HG1  VAL  95          2HG1      VAL  95 -14.016   5.668   5.668
  705   1HG2  VAL  95          2HG2      VAL  95 -13.110   2.798   2.798
  706   2HG2  VAL  95          1HG2      VAL  95 -14.711   3.535   3.535
  707   3HG2  VAL  95          3HG2      VAL  95 -13.279   4.522   4.522
  708    HA   PRO  96           HA       PRO  96 -10.964   4.063   4.063
  709   1HB   PRO  96          2HB       PRO  96 -10.051   6.644   6.644
  710   2HB   PRO  96          1HB       PRO  96  -9.028   5.291   5.291
  711   1HG   PRO  96          2HG       PRO  96 -10.438   7.344   7.344
  712   2HG   PRO  96          1HG       PRO  96  -8.816   6.661   6.661
  713   1HD   PRO  96          2HD       PRO  96 -10.926   5.865   5.865
  714   2HD   PRO  96          1HD       PRO  96  -9.593   4.768   4.768
  715    HA   PRO  97           HA       PRO  97 -14.537   6.136   6.136
  716   1HB   PRO  97          2HB       PRO  97 -13.741   7.278   7.278
  717   2HB   PRO  97          1HB       PRO  97 -13.960   5.528   5.528
  718   1HG   PRO  97          2HG       PRO  97 -11.455   7.135   7.135
  719   2HG   PRO  97          1HG       PRO  97 -11.766   5.527   5.527
  720   1HD   PRO  97          2HD       PRO  97 -10.474   5.952   5.952
  721   2HD   PRO  97          1HD       PRO  97 -11.392   4.476   4.476
  722    H    SER  98           H        SER  98 -15.500   8.284   8.284
  723    HA   SER  98           HA       SER  98 -15.687  10.622  10.622
  724   1HB   SER  98          2HB       SER  98 -13.217  10.288  10.288
  725   2HB   SER  98          1HB       SER  98 -12.783  10.828  10.828
  726    HG   SER  98           HG       SER  98 -13.174  12.443  12.443
  727    H    LYS  99           H        LYS  99 -13.309   9.333   9.333
  728    HA   LYS  99           HA       LYS  99 -14.484  10.994  10.994
  729   1HB   LYS  99          2HB       LYS  99 -12.154  10.853  10.853
  730   2HB   LYS  99          1HB       LYS  99 -12.129   9.189   9.189
  731   1HG   LYS  99          2HG       LYS  99 -11.550   9.364   9.364
  732   2HG   LYS  99          1HG       LYS  99 -12.998   8.401   8.401
  733   1HD   LYS  99          2HD       LYS  99 -13.860   9.759   9.759
  734   2HD   LYS  99          1HD       LYS  99 -14.097  10.870  10.870
  735   1HE   LYS  99          2HE       LYS  99 -11.385  10.982  10.982
  736   2HE   LYS  99          1HE       LYS  99 -12.671  11.495  11.495
  737   1HZ   LYS  99          2HZ       LYS  99 -12.658  12.375  12.375
  738   2HZ   LYS  99          1HZ       LYS  99 -11.759  13.216  13.216
  739   3HZ   LYS  99          3HZ       LYS  99 -13.443  13.081  13.081
  740    H    ARG 100           H        ARG 100 -15.562   8.353   8.353
  741    HA   ARG 100           HA       ARG 100 -15.985   6.509   6.509
  742   1HB   ARG 100          2HB       ARG 100 -17.293   5.298   5.298
  743   2HB   ARG 100          1HB       ARG 100 -15.838   5.919   5.919
  744   1HG   ARG 100          2HG       ARG 100 -17.202   7.918   7.918
  745   2HG   ARG 100          1HG       ARG 100 -18.634   7.068   7.068
  746   1HD   ARG 100          2HD       ARG 100 -16.782   6.271   6.271
  747   2HD   ARG 100          1HD       ARG 100 -18.546   6.462   6.462
  748    HE   ARG 100           HE       ARG 100 -17.082   4.184   4.184
  749   1HH1  ARG 100          1HH2      ARG 100 -19.494   4.462   4.462
  750   2HH1  ARG 100          2HH2      ARG 100 -20.742   3.735   3.735
  751   1HH2  ARG 100          2HH1      ARG 100 -18.917   3.846   3.846
  752   2HH2  ARG 100          1HH1      ARG 100 -20.415   3.385   3.385

  Start of MODEL   11
    1    HA   PRO   6           HA       PRO   6 -14.303  -2.782  -2.782
    2   1HB   PRO   6          2HB       PRO   6 -12.160  -4.478  -4.478
    3   2HB   PRO   6          1HB       PRO   6 -13.510  -4.534  -4.534
    4   1HG   PRO   6          2HG       PRO   6 -12.951  -6.271  -6.271
    5   2HG   PRO   6          1HG       PRO   6 -13.627  -6.692  -6.692
    6   1HD   PRO   6          2HD       PRO   6 -15.126  -6.385  -6.385
    7   2HD   PRO   6          1HD       PRO   6 -15.755  -6.145  -6.145
    8    H    TRP   7           H        TRP   7 -11.842  -2.237  -2.237
    9    HA   TRP   7           HA       TRP   7 -11.782  -1.618  -1.618
   10   1HB   TRP   7          2HB       TRP   7 -11.142  -0.038  -0.038
   11   2HB   TRP   7          1HB       TRP   7  -9.823  -1.115  -1.115
   12    HD1  TRP   7           HD1      TRP   7 -10.540  -0.801  -0.801
   13    HE1  TRP   7           HE1      TRP   7  -8.660   0.545   0.545
   14    HE3  TRP   7           HE3      TRP   7  -8.058   0.901   0.901
   15    HZ2  TRP   7           HZ2      TRP   7  -6.402   2.139   2.139
   16    HZ3  TRP   7           HZ3      TRP   7  -6.049   2.330   2.330
   17    HH2  TRP   7           HH2      TRP   7  -5.219   2.952   2.952
   18    H    ALA   8           H        ALA   8 -10.864  -3.015  -3.015
   19    HA   ALA   8           HA       ALA   8  -9.714  -5.474  -5.474
   20   1HB   ALA   8          3HB       ALA   8  -9.158  -3.328  -3.328
   21   2HB   ALA   8          2HB       ALA   8  -8.426  -4.926  -4.926
   22   3HB   ALA   8          1HB       ALA   8 -10.183  -4.753  -4.753
   23    H    VAL   9           H        VAL   9  -8.176  -2.348  -2.348
   24    HA   VAL   9           HA       VAL   9  -5.555  -3.660  -3.660
   25    HB   VAL   9           HB       VAL   9  -6.510  -0.826  -0.826
   26   1HG1  VAL   9          2HG1      VAL   9  -3.813  -1.820  -1.820
   27   2HG1  VAL   9          1HG1      VAL   9  -4.038  -0.245  -0.245
   28   3HG1  VAL   9          3HG1      VAL   9  -4.847  -0.612  -0.612
   29   1HG2  VAL   9          2HG2      VAL   9  -4.797  -2.828  -2.828
   30   2HG2  VAL   9          1HG2      VAL   9  -6.183  -1.916  -1.916
   31   3HG2  VAL   9          3HG2      VAL   9  -4.642  -1.103  -1.103
   32    H    LYS  10           H        LYS  10  -4.597  -3.495  -3.495
   33    HA   LYS  10           HA       LYS  10  -6.384  -2.455  -2.455
   34   1HB   LYS  10          2HB       LYS  10  -4.971  -4.982  -4.982
   35   2HB   LYS  10          1HB       LYS  10  -4.674  -4.339  -4.339
   36   1HG   LYS  10          2HG       LYS  10  -7.375  -3.931  -3.931
   37   2HG   LYS  10          1HG       LYS  10  -7.156  -5.432  -5.432
   38   1HD   LYS  10          2HD       LYS  10  -6.221  -4.919  -4.919
   39   2HD   LYS  10          1HD       LYS  10  -7.605  -5.907  -5.907
   40   1HE   LYS  10          2HE       LYS  10  -6.263  -7.610  -7.610
   41   2HE   LYS  10          1HE       LYS  10  -4.888  -6.520  -6.520
   42   1HZ   LYS  10          1HZ       LYS  10  -5.786  -6.633  -6.633
   43   2HZ   LYS  10          3HZ       LYS  10  -5.185  -8.112  -8.112
   44   3HZ   LYS  10          2HZ       LYS  10  -4.210  -6.722  -6.722
   45    HA   PRO  11           HA       PRO  11  -3.122   0.007   0.007
   46   1HB   PRO  11          2HB       PRO  11  -2.684  -0.853  -0.853
   47   2HB   PRO  11          1HB       PRO  11  -4.100   0.104   0.104
   48   1HG   PRO  11          2HG       PRO  11  -3.858  -2.850  -2.850
   49   2HG   PRO  11          1HG       PRO  11  -5.150  -1.752  -1.752
   50   1HD   PRO  11          2HD       PRO  11  -5.409  -3.290  -3.290
   51   2HD   PRO  11          1HD       PRO  11  -6.095  -1.653  -1.653
   52    H    GLU  12           H        GLU  12  -2.629  -3.458  -3.458
   53    HA   GLU  12           HA       GLU  12   0.222  -3.337  -3.337
   54   1HB   GLU  12          2HB       GLU  12   0.071  -5.731  -5.731
   55   2HB   GLU  12          1HB       GLU  12  -1.411  -5.215  -5.215
   56   1HG   GLU  12          2HG       GLU  12  -2.623  -5.262  -5.262
   57   2HG   GLU  12          1HG       GLU  12  -1.142  -5.668  -5.668
   58    H    ASP  13           H        ASP  13  -1.876  -3.620  -3.620
   59    HA   ASP  13           HA       ASP  13   0.378  -3.945  -3.945
   60   1HB   ASP  13          2HB       ASP  13  -2.620  -3.539  -3.539
   61   2HB   ASP  13          1HB       ASP  13  -1.589  -3.587  -3.587
   62    H    LYS  14           H        LYS  14  -1.761  -1.404  -1.404
   63    HA   LYS  14           HA       LYS  14  -0.880   0.641   0.641
   64   1HB   LYS  14          2HB       LYS  14  -2.962   0.987   0.987
   65   2HB   LYS  14          1HB       LYS  14  -2.335   0.515   0.515
   66   1HG   LYS  14          2HG       LYS  14  -2.677   2.968   2.968
   67   2HG   LYS  14          1HG       LYS  14  -0.981   2.559   2.559
   68   1HD   LYS  14          2HD       LYS  14  -0.841   4.117   4.117
   69   2HD   LYS  14          1HD       LYS  14  -0.859   2.588   2.588
   70   1HE   LYS  14          2HE       LYS  14  -2.468   4.026   4.026
   71   2HE   LYS  14          1HE       LYS  14  -3.408   2.858   2.858
   72   1HZ   LYS  14          1HZ       LYS  14  -2.835   4.778   4.778
   73   2HZ   LYS  14          3HZ       LYS  14  -3.071   5.695   5.695
   74   3HZ   LYS  14          2HZ       LYS  14  -4.299   4.661   4.661
   75    H    ALA  15           H        ALA  15   0.392  -0.799  -0.799
   76    HA   ALA  15           HA       ALA  15   2.099   1.373   1.373
   77   1HB   ALA  15          3HB       ALA  15   1.300  -1.067  -1.067
   78   2HB   ALA  15          2HB       ALA  15   2.942  -1.439  -1.439
   79   3HB   ALA  15          1HB       ALA  15   2.664  -0.162  -0.162
   80    H    LYS  16           H        LYS  16   2.499  -1.410  -1.410
   81    HA   LYS  16           HA       LYS  16   5.280  -0.728  -0.728
   82   1HB   LYS  16          2HB       LYS  16   5.237  -2.774  -2.774
   83   2HB   LYS  16          1HB       LYS  16   3.882  -3.006  -3.006
   84   1HG   LYS  16          2HG       LYS  16   2.453  -1.979  -1.979
   85   2HG   LYS  16          1HG       LYS  16   3.823  -2.334  -2.334
   86   1HD   LYS  16          2HD       LYS  16   2.163  -4.285  -4.285
   87   2HD   LYS  16          1HD       LYS  16   2.385  -4.246  -4.246
   88   1HE   LYS  16          2HE       LYS  16   4.742  -4.651  -4.651
   89   2HE   LYS  16          1HE       LYS  16   3.754  -6.012  -6.012
   90   1HZ   LYS  16          1HZ       LYS  16   4.392  -4.147  -4.147
   91   2HZ   LYS  16          3HZ       LYS  16   5.774  -4.858  -4.858
   92   3HZ   LYS  16          2HZ       LYS  16   4.548  -5.839  -5.839
   93    H    TYR  17           H        TYR  17   2.087   0.011   0.011
   94    HA   TYR  17           HA       TYR  17   2.828   0.994   0.994
   95   1HB   TYR  17          2HB       TYR  17   0.489   1.549   1.549
   96   2HB   TYR  17          1HB       TYR  17   0.546   2.036   2.036
   97    HD1  TYR  17           HD2      TYR  17   2.309  -0.933  -0.933
   98    HD2  TYR  17           HD1      TYR  17  -1.712   0.519   0.519
   99    HE1  TYR  17           HE2      TYR  17   1.437  -3.154  -3.154
  100    HE2  TYR  17           HE1      TYR  17  -2.586  -1.703  -1.703
  101    HH   TYR  17           HH       TYR  17  -1.987  -3.914  -3.914
  102    H    ASP  18           H        ASP  18   2.485   2.332   2.332
  103    HA   ASP  18           HA       ASP  18   2.858   5.116   5.116
  104   1HB   ASP  18          2HB       ASP  18   1.662   4.405   4.405
  105   2HB   ASP  18          1HB       ASP  18   3.092   3.553   3.553
  106    H    ALA  19           H        ALA  19   4.997   2.481   2.481
  107    HA   ALA  19           HA       ALA  19   7.343   4.160   4.160
  108   1HB   ALA  19          2HB       ALA  19   6.607   1.293   1.293
  109   2HB   ALA  19          1HB       ALA  19   8.260   1.652   1.652
  110   3HB   ALA  19          3HB       ALA  19   7.708   2.109   2.109
  111    H    ILE  20           H        ILE  20   5.976   2.245   2.245
  112    HA   ILE  20           HA       ILE  20   8.036   2.844   2.844
  113    HB   ILE  20           HB       ILE  20   5.177   1.822   1.822
  114   1HG1  ILE  20          2HG1      ILE  20   7.550   0.207   0.207
  115   2HG1  ILE  20          1HG1      ILE  20   7.357   0.547   0.547
  116   1HG2  ILE  20          2HG2      ILE  20   6.279   3.026   3.026
  117   2HG2  ILE  20          1HG2      ILE  20   6.926   1.400   1.400
  118   3HG2  ILE  20          3HG2      ILE  20   5.185   1.654   1.654
  119   1HD1  ILE  20          2HD1      ILE  20   4.801  -0.159  -0.159
  120   2HD1  ILE  20          1HD1      ILE  20   5.752  -1.192  -1.192
  121   3HD1  ILE  20          3HD1      ILE  20   5.990  -1.273  -1.273
  122    H    PHE  21           H        PHE  21   5.047   4.231   4.231
  123    HA   PHE  21           HA       PHE  21   4.637   6.141   6.141
  124   1HB   PHE  21          2HB       PHE  21   2.726   5.752   5.752
  125   2HB   PHE  21          1HB       PHE  21   3.637   5.523   5.523
  126    HD1  PHE  21           HD2      PHE  21   4.690   7.581   7.581
  127    HD2  PHE  21           HD1      PHE  21   1.693   7.822   7.822
  128    HE1  PHE  21           HE2      PHE  21   4.180   9.910   9.910
  129    HE2  PHE  21           HE1      PHE  21   1.181  10.150  10.150
  130    HZ   PHE  21           HZ       PHE  21   2.429  11.191  11.191
  131    H    ASP  22           H        ASP  22   6.255   6.179   6.179
  132    HA   ASP  22           HA       ASP  22   7.103   8.985   8.985
  133   1HB   ASP  22          2HB       ASP  22   6.416   8.247   8.247
  134   2HB   ASP  22          1HB       ASP  22   7.482   6.841   6.841
  135    H    SER  23           H        SER  23   8.124   6.144   6.144
  136    HA   SER  23           HA       SER  23  11.039   6.589   6.589
  137   1HB   SER  23          2HB       SER  23   9.220   4.511   4.511
  138   2HB   SER  23          1HB       SER  23  10.909   4.555   4.555
  139    HG   SER  23           HG       SER  23  10.809   3.246   3.246
  140    H    LEU  24           H        LEU  24   8.543   7.757   7.757
  141    HA   LEU  24           HA       LEU  24  10.264   8.266   8.266
  142   1HB   LEU  24          2HB       LEU  24   7.340   8.857   8.857
  143   2HB   LEU  24          1HB       LEU  24   8.310   8.142   8.142
  144    HG   LEU  24           HG       LEU  24   7.572   6.685   6.685
  145   1HD1  LEU  24          2HD1      LEU  24   5.886   7.386   7.386
  146   2HD1  LEU  24          1HD1      LEU  24   6.257   5.671   5.671
  147   3HD1  LEU  24          3HD1      LEU  24   5.530   6.272   6.272
  148   1HD2  LEU  24          3HD2      LEU  24   8.839   5.930   5.930
  149   2HD2  LEU  24          2HD2      LEU  24   9.476   5.679   5.679
  150   3HD2  LEU  24          1HD2      LEU  24   8.111   4.720   4.720
  151    H    SER  25           H        SER  25   9.089   9.625   9.625
  152    HA   SER  25           HA       SER  25   9.361  11.845  11.845
  153   1HB   SER  25          2HB       SER  25  10.942  11.862  11.862
  154   2HB   SER  25          1HB       SER  25   9.672  12.923  12.923
  155    HG   SER  25           HG       SER  25  11.640  13.498  13.498
  156    HA   PRO  26           HA       PRO  26   5.010  12.262  12.262
  157   1HB   PRO  26          2HB       PRO  26   4.212  12.942  12.942
  158   2HB   PRO  26          1HB       PRO  26   4.468  11.260  11.260
  159   1HG   PRO  26          2HG       PRO  26   6.246  13.051  13.051
  160   2HG   PRO  26          1HG       PRO  26   5.920  11.323  11.323
  161   1HD   PRO  26          2HD       PRO  26   8.174  12.300  12.300
  162   2HD   PRO  26          1HD       PRO  26   7.469  10.716  10.716
  163    H    VAL  27           H        VAL  27   3.825  14.134  14.134
  164    HA   VAL  27           HA       VAL  27   5.143  16.722  16.722
  165    HB   VAL  27           HB       VAL  27   3.427  16.040  16.040
  166   1HG1  VAL  27          1HG1      VAL  27   3.572  18.458  18.458
  167   2HG1  VAL  27          3HG1      VAL  27   5.265  18.406  18.406
  168   3HG1  VAL  27          2HG1      VAL  27   3.992  18.194  18.194
  169   1HG2  VAL  27          2HG2      VAL  27   6.312  15.733  15.733
  170   2HG2  VAL  27          1HG2      VAL  27   5.319  14.947  14.947
  171   3HG2  VAL  27          3HG2      VAL  27   5.947  16.570  16.570
  172    H    ASN  28           H        ASN  28   3.903  17.339  17.339
  173    HA   ASN  28           HA       ASN  28   1.996  18.126  18.126
  174   1HB   ASN  28          2HB       ASN  28   1.807  19.276  19.276
  175   2HB   ASN  28          1HB       ASN  28   0.678  17.998  17.998
  176   1HD2  ASN  28          1HD2      ASN  28  -1.258  17.739  17.739
  177   2HD2  ASN  28          2HD2      ASN  28  -1.886  19.148  19.148
  178    H    GLY  29           H        GLY  29   2.501  15.181  15.181
  179   1HA   GLY  29          2HA       GLY  29   1.392  13.258  13.258
  180   2HA   GLY  29          1HA       GLY  29  -0.109  14.184  14.184
  181    H    PHE  30           H        PHE  30   1.994  13.991  13.991
  182    HA   PHE  30           HA       PHE  30   0.116  12.129  12.129
  183   1HB   PHE  30          2HB       PHE  30   0.674  15.000  15.000
  184   2HB   PHE  30          1HB       PHE  30  -0.150  13.840  13.840
  185    HD1  PHE  30           HD2      PHE  30  -2.287  12.800  12.800
  186    HD2  PHE  30           HD1      PHE  30  -0.443  16.017  16.017
  187    HE1  PHE  30           HE2      PHE  30  -4.432  13.239  13.239
  188    HE2  PHE  30           HE1      PHE  30  -2.574  16.453  16.453
  189    HZ   PHE  30           HZ       PHE  30  -4.573  15.065  15.065
  190    H    LEU  31           H        LEU  31   0.950  11.417  11.417
  191    HA   LEU  31           HA       LEU  31   3.898  11.891  11.891
  192   1HB   LEU  31          2HB       LEU  31   2.260   9.349   9.349
  193   2HB   LEU  31          1HB       LEU  31   3.865   9.454   9.454
  194    HG   LEU  31           HG       LEU  31   3.378  10.279  10.279
  195   1HD1  LEU  31          2HD1      LEU  31   3.955   7.535   7.535
  196   2HD1  LEU  31          1HD1      LEU  31   4.338   7.964   7.964
  197   3HD1  LEU  31          3HD1      LEU  31   2.665   7.996   7.996
  198   1HD2  LEU  31          3HD2      LEU  31   5.698   9.814   9.814
  199   2HD2  LEU  31          2HD2      LEU  31   5.489  11.028  11.028
  200   3HD2  LEU  31          1HD2      LEU  31   5.901   9.364   9.364
  201    H    SER  32           H        SER  32   4.449  12.475  12.475
  202    HA   SER  32           HA       SER  32   2.341  12.829  12.829
  203   1HB   SER  32          2HB       SER  32   5.129  13.195  13.195
  204   2HB   SER  32          1HB       SER  32   3.805  14.352  14.352
  205    HG   SER  32           HG       SER  32   5.149  15.079  15.079
  206    H    GLY  33           H        GLY  33   2.000  11.617  11.617
  207   1HA   GLY  33          2HA       GLY  33   2.595   8.934   8.934
  208   2HA   GLY  33          1HA       GLY  33   2.396   9.953   9.953
  209    H    ASP  34           H        ASP  34   4.796  11.596  11.596
  210    HA   ASP  34           HA       ASP  34   6.797  10.250  10.250
  211   1HB   ASP  34          2HB       ASP  34   6.789  12.542  12.542
  212   2HB   ASP  34          1HB       ASP  34   8.233  12.078  12.078
  213    H    LYS  35           H        LYS  35   5.895   9.914   9.914
  214    HA   LYS  35           HA       LYS  35   8.480   8.509   8.509
  215   1HB   LYS  35          2HB       LYS  35   7.091   8.834   8.834
  216   2HB   LYS  35          1HB       LYS  35   8.445   9.813   9.813
  217   1HG   LYS  35          2HG       LYS  35   6.686  11.217  11.217
  218   2HG   LYS  35          1HG       LYS  35   5.493  10.379  10.379
  219   1HD   LYS  35          2HD       LYS  35   5.908  11.862  11.862
  220   2HD   LYS  35          1HD       LYS  35   7.537  11.192  11.192
  221   1HE   LYS  35          2HE       LYS  35   8.472  12.976  12.976
  222   2HE   LYS  35          1HE       LYS  35   7.161  13.051  13.051
  223   1HZ   LYS  35          1HZ       LYS  35   6.637  13.732  13.732
  224   2HZ   LYS  35          3HZ       LYS  35   7.318  14.894  14.894
  225   3HZ   LYS  35          2HZ       LYS  35   5.800  14.226  14.226
  226    H    VAL  36           H        VAL  36   4.970   8.262   8.262
  227    HA   VAL  36           HA       VAL  36   5.028   5.575   5.575
  228    HB   VAL  36           HB       VAL  36   2.862   7.189   7.189
  229   1HG1  VAL  36          2HG1      VAL  36   2.906   4.478   4.478
  230   2HG1  VAL  36          1HG1      VAL  36   2.019   5.258   5.258
  231   3HG1  VAL  36          3HG1      VAL  36   1.479   5.445   5.445
  232   1HG2  VAL  36          1HG2      VAL  36   3.985   7.099   7.099
  233   2HG2  VAL  36          3HG2      VAL  36   3.321   8.464   8.464
  234   3HG2  VAL  36          2HG2      VAL  36   2.238   7.282   7.282
  235    H    LYS  37           H        LYS  37   4.048   6.898   6.898
  236    HA   LYS  37           HA       LYS  37   3.472   4.636   4.636
  237   1HB   LYS  37          2HB       LYS  37   3.697   7.130   7.130
  238   2HB   LYS  37          1HB       LYS  37   5.363   6.727   6.727
  239   1HG   LYS  37          2HG       LYS  37   3.886   4.672   4.672
  240   2HG   LYS  37          1HG       LYS  37   2.918   6.117   6.117
  241   1HD   LYS  37          2HD       LYS  37   5.614   6.855   6.855
  242   2HD   LYS  37          1HD       LYS  37   5.372   5.312   5.312
  243   1HE   LYS  37          2HE       LYS  37   4.041   6.258   6.258
  244   2HE   LYS  37          1HE       LYS  37   3.124   7.174   7.174
  245   1HZ   LYS  37          3HZ       LYS  37   5.923   7.875   7.875
  246   2HZ   LYS  37          2HZ       LYS  37   4.660   8.469   8.469
  247   3HZ   LYS  37          1HZ       LYS  37   4.711   8.842   8.842
  248    HA   PRO  38           HA       PRO  38   8.130   3.664   3.664
  249   1HB   PRO  38          2HB       PRO  38   9.907   4.789   4.789
  250   2HB   PRO  38          1HB       PRO  38   9.481   5.538   5.538
  251   1HG   PRO  38          2HG       PRO  38   8.461   6.146   6.146
  252   2HG   PRO  38          1HG       PRO  38   8.904   7.254   7.254
  253   1HD   PRO  38          2HD       PRO  38   6.348   6.642   6.642
  254   2HD   PRO  38          1HD       PRO  38   6.907   6.978   6.978
  255    H    VAL  39           H        VAL  39   6.980   4.333   4.333
  256    HA   VAL  39           HA       VAL  39   8.333   2.199   2.199
  257    HB   VAL  39           HB       VAL  39   6.072   4.097   4.097
  258   1HG1  VAL  39          1HG1      VAL  39   6.240   1.437   1.437
  259   2HG1  VAL  39          3HG1      VAL  39   6.108   2.773   2.773
  260   3HG1  VAL  39          2HG1      VAL  39   4.876   2.552   2.552
  261   1HG2  VAL  39          2HG2      VAL  39   8.721   4.131   4.131
  262   2HG2  VAL  39          1HG2      VAL  39   7.516   5.042   5.042
  263   3HG2  VAL  39          3HG2      VAL  39   8.077   3.480   3.480
  264    H    LEU  40           H        LEU  40   5.318   2.400   2.400
  265    HA   LEU  40           HA       LEU  40   4.405  -0.262  -0.262
  266   1HB   LEU  40          2HB       LEU  40   3.551   1.354   1.354
  267   2HB   LEU  40          1HB       LEU  40   2.598   0.184   0.184
  268    HG   LEU  40           HG       LEU  40   3.487   2.927   2.927
  269   1HD1  LEU  40          3HD1      LEU  40   1.073   1.782   1.782
  270   2HD1  LEU  40          2HD1      LEU  40   0.771   2.398   2.398
  271   3HD1  LEU  40          1HD1      LEU  40   1.422   3.468   3.468
  272   1HD2  LEU  40          1HD2      LEU  40   2.319   0.642   0.642
  273   2HD2  LEU  40          3HD2      LEU  40   3.864   1.450   1.450
  274   3HD2  LEU  40          2HD2      LEU  40   2.351   2.313   2.313
  275    H    LEU  41           H        LEU  41   6.656   1.032   1.032
  276    HA   LEU  41           HA       LEU  41   6.528  -1.090  -1.090
  277   1HB   LEU  41          2HB       LEU  41   8.324   1.203   1.203
  278   2HB   LEU  41          1HB       LEU  41   8.909  -0.015  -0.015
  279    HG   LEU  41           HG       LEU  41   6.222   1.311   1.311
  280   1HD1  LEU  41          3HD1      LEU  41   8.667   2.665   2.665
  281   2HD1  LEU  41          2HD1      LEU  41   8.349   2.278   2.278
  282   3HD1  LEU  41          1HD1      LEU  41   7.166   3.197   3.197
  283   1HD2  LEU  41          2HD2      LEU  41   7.812  -0.695  -0.695
  284   2HD2  LEU  41          1HD2      LEU  41   6.145  -0.203  -0.203
  285   3HD2  LEU  41          3HD2      LEU  41   7.476   0.668   0.668
  286    H    ASN  42           H        ASN  42   8.053  -0.580  -0.580
  287    HA   ASN  42           HA       ASN  42  10.173  -2.511  -2.511
  288   1HB   ASN  42          2HB       ASN  42   8.594  -1.447  -1.447
  289   2HB   ASN  42          1HB       ASN  42  10.103  -2.352  -2.352
  290   1HD2  ASN  42          1HD2      ASN  42   8.698   0.715   0.715
  291   2HD2  ASN  42          2HD2      ASN  42  10.175   1.546   1.546
  292    H    SER  43           H        SER  43   6.748  -2.818  -2.818
  293    HA   SER  43           HA       SER  43   6.732  -5.413  -5.413
  294   1HB   SER  43          2HB       SER  43   4.676  -4.498  -4.498
  295   2HB   SER  43          1HB       SER  43   4.883  -3.446  -3.446
  296    HG   SER  43           HG       SER  43   4.204  -5.062  -5.062
  297    H    LYS  44           H        LYS  44   7.811  -4.541  -4.541
  298    HA   LYS  44           HA       LYS  44   8.396  -5.881  -5.881
  299   1HB   LYS  44          2HB       LYS  44   8.095  -7.582  -7.582
  300   2HB   LYS  44          1HB       LYS  44   7.175  -8.352  -8.352
  301   1HG   LYS  44          2HG       LYS  44   9.797  -7.273  -7.273
  302   2HG   LYS  44          1HG       LYS  44   9.878  -8.611  -8.611
  303   1HD   LYS  44          2HD       LYS  44   8.445  -9.973  -9.973
  304   2HD   LYS  44          1HD       LYS  44   8.304  -8.631  -8.631
  305   1HE   LYS  44          2HE       LYS  44  10.864 -10.098 -10.098
  306   2HE   LYS  44          1HE       LYS  44  10.030 -10.141 -10.141
  307   1HZ   LYS  44          1HZ       LYS  44  10.209  -7.639  -7.639
  308   2HZ   LYS  44          3HZ       LYS  44  11.318  -7.821  -7.821
  309   3HZ   LYS  44          2HZ       LYS  44  11.663  -8.480  -8.480
  310    H    LEU  45           H        LEU  45   5.349  -5.076  -5.076
  311    HA   LEU  45           HA       LEU  45   3.767  -6.707  -6.707
  312   1HB   LEU  45          2HB       LEU  45   3.362  -4.359  -4.359
  313   2HB   LEU  45          1HB       LEU  45   2.117  -4.745  -4.745
  314    HG   LEU  45           HG       LEU  45   3.239  -6.674  -6.674
  315   1HD1  LEU  45          1HD1      LEU  45   1.429  -4.627  -4.627
  316   2HD1  LEU  45          3HD1      LEU  45   0.380  -6.000  -6.000
  317   3HD1  LEU  45          2HD1      LEU  45   1.535  -6.090  -6.090
  318   1HD2  LEU  45          3HD2      LEU  45   2.021  -7.202  -7.202
  319   2HD2  LEU  45          2HD2      LEU  45   2.188  -8.332  -8.332
  320   3HD2  LEU  45          1HD2      LEU  45   0.720  -7.368  -7.368
  321    HA   PRO  46           HA       PRO  46   4.231  -4.235  -4.235
  322   1HB   PRO  46          2HB       PRO  46   1.750  -4.483  -4.483
  323   2HB   PRO  46          1HB       PRO  46   2.951  -5.788  -5.788
  324   1HG   PRO  46          2HG       PRO  46   0.542  -5.416  -5.416
  325   2HG   PRO  46          1HG       PRO  46   1.276  -6.902  -6.902
  326   1HD   PRO  46          2HD       PRO  46   1.548  -5.977  -5.977
  327   2HD   PRO  46          1HD       PRO  46   2.670  -7.099  -7.099
  328    H    VAL  47           H        VAL  47   3.450  -2.214  -2.214
  329    HA   VAL  47           HA       VAL  47   2.794  -0.165  -0.165
  330    HB   VAL  47           HB       VAL  47   2.826  -0.423  -0.423
  331   1HG1  VAL  47          1HG1      VAL  47   2.172   2.013   2.013
  332   2HG1  VAL  47          3HG1      VAL  47   2.666   2.103   2.103
  333   3HG1  VAL  47          2HG1      VAL  47   1.169   1.278   1.278
  334   1HG2  VAL  47          1HG2      VAL  47   4.784  -0.051  -0.051
  335   2HG2  VAL  47          3HG2      VAL  47   4.999   0.133   0.133
  336   3HG2  VAL  47          2HG2      VAL  47   4.580   1.532   1.532
  337    H    ASP  48           H        ASP  48   0.770  -2.458  -2.458
  338    HA   ASP  48           HA       ASP  48  -1.619  -0.832  -0.832
  339   1HB   ASP  48          2HB       ASP  48  -0.840  -3.715  -3.715
  340   2HB   ASP  48          1HB       ASP  48  -2.546  -3.314  -3.314
  341    H    ILE  49           H        ILE  49  -0.221  -3.001  -3.001
  342    HA   ILE  49           HA       ILE  49  -2.380  -2.885  -2.885
  343    HB   ILE  49           HB       ILE  49   0.593  -3.147  -3.147
  344   1HG1  ILE  49          2HG1      ILE  49   0.059  -4.706  -4.706
  345   2HG1  ILE  49          1HG1      ILE  49   0.155  -5.616  -5.616
  346   1HG2  ILE  49          1HG2      ILE  49  -1.780  -3.324  -3.324
  347   2HG2  ILE  49          3HG2      ILE  49  -0.990  -4.900  -4.900
  348   3HG2  ILE  49          2HG2      ILE  49  -0.094  -3.483  -3.483
  349   1HD1  ILE  49          2HD1      ILE  49  -2.413  -4.596  -4.596
  350   2HD1  ILE  49          1HD1      ILE  49  -1.830  -6.257  -6.257
  351   3HD1  ILE  49          3HD1      ILE  49  -2.281  -5.572  -5.572
  352    H    LEU  50           H        LEU  50   0.595  -1.031  -1.031
  353    HA   LEU  50           HA       LEU  50   0.288   0.786   0.786
  354   1HB   LEU  50          2HB       LEU  50   1.550   1.238   1.238
  355   2HB   LEU  50          1HB       LEU  50   1.977   2.056   2.056
  356    HG   LEU  50           HG       LEU  50   2.445  -0.833  -0.833
  357   1HD1  LEU  50          3HD1      LEU  50   4.210   1.421   1.421
  358   2HD1  LEU  50          2HD1      LEU  50   4.761  -0.232  -0.232
  359   3HD1  LEU  50          1HD1      LEU  50   4.195   0.742   0.742
  360   1HD2  LEU  50          2HD2      LEU  50   1.965   0.366   0.366
  361   2HD2  LEU  50          1HD2      LEU  50   1.901  -1.325  -1.325
  362   3HD2  LEU  50          3HD2      LEU  50   3.451  -0.576  -0.576
  363    H    GLY  51           H        GLY  51  -1.383   0.474   0.474
  364   1HA   GLY  51          2HA       GLY  51  -2.313   3.281   3.281
  365   2HA   GLY  51          1HA       GLY  51  -2.748   2.051   2.051
  366    H    ARG  52           H        ARG  52  -3.338   0.099   0.099
  367    HA   ARG  52           HA       ARG  52  -6.103   1.027   1.027
  368   1HB   ARG  52          2HB       ARG  52  -5.027  -1.298  -1.298
  369   2HB   ARG  52          1HB       ARG  52  -5.171  -1.673  -1.673
  370   1HG   ARG  52          2HG       ARG  52  -7.493  -1.427  -1.427
  371   2HG   ARG  52          1HG       ARG  52  -7.483  -0.406  -0.406
  372   1HD   ARG  52          2HD       ARG  52  -6.389  -3.125  -3.125
  373   2HD   ARG  52          1HD       ARG  52  -8.124  -3.060  -3.060
  374    HE   ARG  52           HE       ARG  52  -7.683  -0.998  -0.998
  375   1HH1  ARG  52          1HH2      ARG  52  -6.072  -3.906  -3.906
  376   2HH1  ARG  52          2HH2      ARG  52  -6.795  -4.380  -4.380
  377   1HH2  ARG  52          2HH1      ARG  52  -9.135  -1.821  -1.821
  378   2HH2  ARG  52          1HH1      ARG  52  -8.530  -3.200  -3.200
  379    H    VAL  53           H        VAL  53  -3.421  -0.630  -0.630
  380    HA   VAL  53           HA       VAL  53  -4.373  -0.497  -0.497
  381    HB   VAL  53           HB       VAL  53  -1.608  -0.160  -0.160
  382   1HG1  VAL  53          2HG1      VAL  53  -2.071   0.753   0.753
  383   2HG1  VAL  53          1HG1      VAL  53  -2.006  -0.964  -0.964
  384   3HG1  VAL  53          3HG1      VAL  53  -0.621  -0.179  -0.179
  385   1HG2  VAL  53          3HG2      VAL  53  -3.091  -2.321  -2.321
  386   2HG2  VAL  53          2HG2      VAL  53  -1.392  -2.466  -2.466
  387   3HG2  VAL  53          1HG2      VAL  53  -2.641  -2.504  -2.504
  388    H    TRP  54           H        TRP  54  -2.985   2.077   2.077
  389    HA   TRP  54           HA       TRP  54  -2.845   4.013   4.013
  390   1HB   TRP  54          2HB       TRP  54  -1.371   4.226   4.226
  391   2HB   TRP  54          1HB       TRP  54  -2.734   4.206   4.206
  392    HD1  TRP  54           HD1      TRP  54  -4.498   6.304   6.304
  393    HE1  TRP  54           HE1      TRP  54  -4.046   8.765   8.765
  394    HE3  TRP  54           HE3      TRP  54   0.102   5.838   5.838
  395    HZ2  TRP  54           HZ2      TRP  54  -1.996  10.333  10.333
  396    HZ3  TRP  54           HZ3      TRP  54   1.283   7.831   7.831
  397    HH2  TRP  54           HH2      TRP  54   0.240  10.076  10.076
  398    H    GLU  55           H        GLU  55  -4.896   3.882   3.882
  399    HA   GLU  55           HA       GLU  55  -6.695   5.916   5.916
  400   1HB   GLU  55          2HB       GLU  55  -7.209   3.156   3.156
  401   2HB   GLU  55          1HB       GLU  55  -8.323   4.515   4.515
  402   1HG   GLU  55          2HG       GLU  55  -5.445   4.669   4.669
  403   2HG   GLU  55          1HG       GLU  55  -6.752   4.152   4.152
  404    H    LEU  56           H        LEU  56  -6.749   2.597   2.597
  405    HA   LEU  56           HA       LEU  56  -9.142   3.092   3.092
  406   1HB   LEU  56          2HB       LEU  56  -7.161   0.791   0.791
  407   2HB   LEU  56          1HB       LEU  56  -8.758   0.739   0.739
  408    HG   LEU  56           HG       LEU  56  -8.410   1.523   1.523
  409   1HD1  LEU  56          2HD1      LEU  56  -8.765  -1.266  -1.266
  410   2HD1  LEU  56          1HD1      LEU  56  -8.931  -0.845  -0.845
  411   3HD1  LEU  56          3HD1      LEU  56  -7.370  -0.676  -0.676
  412   1HD2  LEU  56          1HD2      LEU  56 -10.638   0.837   0.837
  413   2HD2  LEU  56          3HD2      LEU  56 -10.610   1.973   1.973
  414   3HD2  LEU  56          2HD2      LEU  56 -10.791   0.245   0.245
  415    H    SER  57           H        SER  57  -5.725   3.467   3.467
  416    HA   SER  57           HA       SER  57  -5.754   3.435   3.435
  417   1HB   SER  57          2HB       SER  57  -3.826   2.467   2.467
  418   2HB   SER  57          1HB       SER  57  -3.693   3.755   3.755
  419    HG   SER  57           HG       SER  57  -3.539   4.312   4.312
  420    H    ASP  58           H        ASP  58  -5.883   5.650   5.650
  421    HA   ASP  58           HA       ASP  58  -5.144   8.002   8.002
  422   1HB   ASP  58          2HB       ASP  58  -4.792   7.461   7.461
  423   2HB   ASP  58          1HB       ASP  58  -6.457   8.018   8.018
  424    H    ILE  59           H        ILE  59  -7.013   7.216   7.216
  425    HA   ILE  59           HA       ILE  59  -9.719   7.328   7.328
  426    HB   ILE  59           HB       ILE  59  -8.049   8.726   8.726
  427   1HG1  ILE  59          2HG1      ILE  59  -7.613   6.293   6.293
  428   2HG1  ILE  59          1HG1      ILE  59  -8.417   6.650   6.650
  429   1HG2  ILE  59          2HG2      ILE  59 -10.465   9.454   9.454
  430   2HG2  ILE  59          1HG2      ILE  59 -10.919   7.779   7.779
  431   3HG2  ILE  59          3HG2      ILE  59 -10.011   8.697   8.697
  432   1HD1  ILE  59          1HD1      ILE  59 -10.591   6.050   6.050
  433   2HD1  ILE  59          3HD1      ILE  59  -9.748   5.641   5.641
  434   3HD1  ILE  59          2HD1      ILE  59  -9.451   4.700   4.700
  435    H    ASP  60           H        ASP  60  -7.473  10.037  10.037
  436    HA   ASP  60           HA       ASP  60  -9.704  11.972  11.972
  437   1HB   ASP  60          2HB       ASP  60  -6.703  12.397  12.397
  438   2HB   ASP  60          1HB       ASP  60  -7.947  13.621  13.621
  439    H    HIS  61           H        HIS  61  -7.261  10.262  10.262
  440    HA   HIS  61           HA       HIS  61  -6.886  10.176  10.176
  441   1HB   HIS  61          2HB       HIS  61  -9.611  11.521  11.521
  442   2HB   HIS  61          1HB       HIS  61  -8.874  10.695  10.695
  443    HD1  HIS  61           HD1      HIS  61  -8.920   8.132   8.132
  444    HD2  HIS  61           HD2      HIS  61 -10.462   9.761   9.761
  445    HE1  HIS  61           HE1      HIS  61 -10.029   6.227   6.227
  446    H    ASP  62           H        ASP  62  -5.612  12.274  12.274
  447    HA   ASP  62           HA       ASP  62  -6.030  14.595  14.595
  448   1HB   ASP  62          2HB       ASP  62  -5.453  15.995  15.995
  449   2HB   ASP  62          1HB       ASP  62  -6.450  14.735  14.735
  450    H    GLY  63           H        GLY  63  -3.887  12.082  12.082
  451   1HA   GLY  63          2HA       GLY  63  -1.943  11.761  11.761
  452   2HA   GLY  63          1HA       GLY  63  -1.647  13.496  13.496
  453    H    MET  64           H        MET  64  -2.642  12.239  12.239
  454    HA   MET  64           HA       MET  64   0.124  11.612  11.612
  455   1HB   MET  64          2HB       MET  64  -1.528  13.986  13.986
  456   2HB   MET  64          1HB       MET  64  -0.884  13.245  13.245
  457   1HG   MET  64          2HG       MET  64   1.361  13.309  13.309
  458   2HG   MET  64          1HG       MET  64   0.745  13.951  13.951
  459   1HE   MET  64          1HE       MET  64   3.006  15.236  15.236
  460   2HE   MET  64          3HE       MET  64   2.853  16.579  16.579
  461   3HE   MET  64          2HE       MET  64   2.753  14.912  14.912
  462    H    LEU  65           H        LEU  65   0.095  10.557  10.557
  463    HA   LEU  65           HA       LEU  65  -2.566   9.296   9.296
  464   1HB   LEU  65          2HB       LEU  65   0.265   8.224   8.224
  465   2HB   LEU  65          1HB       LEU  65  -1.038   7.355   7.355
  466    HG   LEU  65           HG       LEU  65  -1.174   8.257   8.257
  467   1HD1  LEU  65          1HD1      LEU  65   0.513   6.307   6.307
  468   2HD1  LEU  65          3HD1      LEU  65  -0.921   5.383   5.383
  469   3HD1  LEU  65          2HD1      LEU  65  -0.091   6.373   6.373
  470   1HD2  LEU  65          3HD2      LEU  65  -2.883   6.595   6.595
  471   2HD2  LEU  65          2HD2      LEU  65  -3.371   7.882   7.882
  472   3HD2  LEU  65          1HD2      LEU  65  -2.919   6.303   6.303
  473    H    ASP  66           H        ASP  66  -3.229  10.042  10.042
  474    HA   ASP  66           HA       ASP  66  -1.380  11.173  11.173
  475   1HB   ASP  66          2HB       ASP  66  -3.334  11.778  11.778
  476   2HB   ASP  66          1HB       ASP  66  -4.003  11.441  11.441
  477    H    ARG  67           H        ARG  67  -1.042  10.258  10.258
  478    HA   ARG  67           HA       ARG  67   0.107   7.771   7.771
  479   1HB   ARG  67          2HB       ARG  67  -0.643   7.924   7.924
  480   2HB   ARG  67          1HB       ARG  67   0.288   9.272   9.272
  481   1HG   ARG  67          2HG       ARG  67  -1.670  10.612  10.612
  482   2HG   ARG  67          1HG       ARG  67  -2.734   9.234   9.234
  483   1HD   ARG  67          2HD       ARG  67  -0.879  10.474  10.474
  484   2HD   ARG  67          1HD       ARG  67  -2.648  10.614  10.614
  485    HE   ARG  67           HE       ARG  67  -2.297   7.902   7.902
  486   1HH1  ARG  67          1HH2      ARG  67  -1.910  10.411  10.411
  487   2HH1  ARG  67          2HH2      ARG  67  -1.296   9.403   9.403
  488   1HH2  ARG  67          2HH1      ARG  67  -1.080   6.575   6.575
  489   2HH2  ARG  67          1HH1      ARG  67  -0.826   7.231   7.231
  490    H    ASP  68           H        ASP  68  -3.383   8.412   8.412
  491    HA   ASP  68           HA       ASP  68  -3.980   5.603   5.603
  492   1HB   ASP  68          2HB       ASP  68  -5.602   8.085   8.085
  493   2HB   ASP  68          1HB       ASP  68  -6.352   6.524   6.524
  494    H    GLU  69           H        GLU  69  -3.899   7.695   7.695
  495    HA   GLU  69           HA       GLU  69  -5.304   5.910   5.910
  496   1HB   GLU  69          2HB       GLU  69  -3.779   8.444   8.444
  497   2HB   GLU  69          1HB       GLU  69  -3.777   7.568   7.568
  498   1HG   GLU  69          2HG       GLU  69  -6.223   7.445   7.445
  499   2HG   GLU  69          1HG       GLU  69  -6.232   8.328   8.328
  500    H    PHE  70           H        PHE  70  -1.891   6.726   6.726
  501    HA   PHE  70           HA       PHE  70  -0.729   4.955   4.955
  502   1HB   PHE  70          2HB       PHE  70   0.302   6.838   6.838
  503   2HB   PHE  70          1HB       PHE  70   0.363   5.682   5.682
  504    HD1  PHE  70           HD1      PHE  70   1.487   6.274   6.274
  505    HD2  PHE  70           HD2      PHE  70   2.037   4.011   4.011
  506    HE1  PHE  70           HE1      PHE  70   3.565   5.296   5.296
  507    HE2  PHE  70           HE2      PHE  70   4.109   3.036   3.036
  508    HZ   PHE  70           HZ       PHE  70   4.871   3.682   3.682
  509    H    ALA  71           H        ALA  71  -2.377   4.394   4.394
  510    HA   ALA  71           HA       ALA  71  -1.156   1.847   1.847
  511   1HB   ALA  71          1HB       ALA  71  -3.143   3.682   3.682
  512   2HB   ALA  71          3HB       ALA  71  -3.861   2.071   2.071
  513   3HB   ALA  71          2HB       ALA  71  -2.388   2.352   2.352
  514    H    VAL  72           H        VAL  72  -4.214   2.753   2.753
  515    HA   VAL  72           HA       VAL  72  -5.117   0.114   0.114
  516    HB   VAL  72           HB       VAL  72  -5.538   2.718   2.718
  517   1HG1  VAL  72          2HG1      VAL  72  -6.389   0.128   0.128
  518   2HG1  VAL  72          1HG1      VAL  72  -7.777   0.861   0.861
  519   3HG1  VAL  72          3HG1      VAL  72  -7.081   1.625   1.625
  520   1HG2  VAL  72          3HG2      VAL  72  -5.989   2.692   2.692
  521   2HG2  VAL  72          2HG2      VAL  72  -7.331   3.187   3.187
  522   3HG2  VAL  72          1HG2      VAL  72  -7.290   1.557   1.557
  523    H    ALA  73           H        ALA  73  -2.649   2.100   2.100
  524    HA   ALA  73           HA       ALA  73  -2.593   0.521   0.521
  525   1HB   ALA  73          2HB       ALA  73  -1.685   3.075   3.075
  526   2HB   ALA  73          1HB       ALA  73  -0.355   2.226   2.226
  527   3HB   ALA  73          3HB       ALA  73  -1.852   2.547   2.547
  528    H    MET  74           H        MET  74  -1.347   0.132   0.132
  529    HA   MET  74           HA       MET  74   1.233  -1.043  -1.043
  530   1HB   MET  74          2HB       MET  74  -0.210  -0.824  -0.824
  531   2HB   MET  74          1HB       MET  74   1.448  -1.396  -1.396
  532   1HG   MET  74          2HG       MET  74   0.902   1.170   1.170
  533   2HG   MET  74          1HG       MET  74   0.746   1.230   1.230
  534   1HE   MET  74          2HE       MET  74   2.450   0.371   0.371
  535   2HE   MET  74          1HE       MET  74   4.130   0.856   0.856
  536   3HE   MET  74          3HE       MET  74   3.636  -0.801  -0.801
  537    H    PHE  75           H        PHE  75  -1.823  -2.182  -2.182
  538    HA   PHE  75           HA       PHE  75  -0.987  -4.971  -4.971
  539   1HB   PHE  75          2HB       PHE  75  -3.050  -5.375  -5.375
  540   2HB   PHE  75          1HB       PHE  75  -2.726  -3.717  -3.717
  541    HD1  PHE  75           HD1      PHE  75  -4.516  -5.775  -5.775
  542    HD2  PHE  75           HD2      PHE  75  -4.169  -1.949  -1.949
  543    HE1  PHE  75           HE1      PHE  75  -6.613  -5.037  -5.037
  544    HE2  PHE  75           HE2      PHE  75  -6.265  -1.212  -1.212
  545    HZ   PHE  75           HZ       PHE  75  -7.488  -2.759  -2.759
  546    H    LEU  76           H        LEU  76  -2.809  -2.682  -2.682
  547    HA   LEU  76           HA       LEU  76  -3.897  -4.467  -4.467
  548   1HB   LEU  76          2HB       LEU  76  -2.944  -1.602  -1.602
  549   2HB   LEU  76          1HB       LEU  76  -3.596  -2.329  -2.329
  550    HG   LEU  76           HG       LEU  76  -5.038  -2.196  -2.196
  551   1HD1  LEU  76          2HD1      LEU  76  -4.629  -0.054  -0.054
  552   2HD1  LEU  76          1HD1      LEU  76  -5.886  -0.767  -0.767
  553   3HD1  LEU  76          3HD1      LEU  76  -6.229  -0.368  -0.368
  554   1HD2  LEU  76          2HD2      LEU  76  -5.384  -3.925  -3.925
  555   2HD2  LEU  76          1HD2      LEU  76  -6.543  -3.627  -3.627
  556   3HD2  LEU  76          3HD2      LEU  76  -6.628  -2.692  -2.692
  557    H    VAL  77           H        VAL  77  -0.700  -3.158  -3.158
  558    HA   VAL  77           HA       VAL  77   0.349  -4.242  -4.242
  559    HB   VAL  77           HB       VAL  77   1.545  -2.695  -2.695
  560   1HG1  VAL  77          3HG1      VAL  77   2.723  -3.806  -3.806
  561   2HG1  VAL  77          2HG1      VAL  77   3.291  -2.239  -2.239
  562   3HG1  VAL  77          1HG1      VAL  77   3.447  -3.667  -3.667
  563   1HG2  VAL  77          2HG2      VAL  77  -0.232  -1.717  -1.717
  564   2HG2  VAL  77          1HG2      VAL  77   1.183  -0.769  -0.769
  565   3HG2  VAL  77          3HG2      VAL  77   1.161  -1.635  -1.635
  566    H    TYR  78           H        TYR  78   0.800  -4.694  -4.694
  567    HA   TYR  78           HA       TYR  78   2.677  -6.870  -6.870
  568   1HB   TYR  78          2HB       TYR  78   1.278  -5.392  -5.392
  569   2HB   TYR  78          1HB       TYR  78   1.614  -7.077  -7.077
  570    HD1  TYR  78           HD2      TYR  78   4.066  -7.765  -7.765
  571    HD2  TYR  78           HD1      TYR  78   2.915  -3.988  -3.988
  572    HE1  TYR  78           HE2      TYR  78   6.459  -7.193  -7.193
  573    HE2  TYR  78           HE1      TYR  78   5.298  -3.417  -3.417
  574    HH   TYR  78           HH       TYR  78   7.828  -5.084  -5.084
  575    H    CYS  79           H        CYS  79  -0.826  -6.677  -6.677
  576    HA   CYS  79           HA       CYS  79  -1.141  -9.559  -9.559
  577   1HB   CYS  79          2HB       CYS  79  -3.076  -7.352  -7.352
  578   2HB   CYS  79          1HB       CYS  79  -3.546  -8.974  -8.974
  579    HG   CYS  79           HG       CYS  79  -3.554  -7.329  -7.329
  580    H    ALA  80           H        ALA  80  -0.714  -7.462  -7.462
  581    HA   ALA  80           HA       ALA  80  -2.023  -9.203  -9.203
  582   1HB   ALA  80          3HB       ALA  80  -0.618  -6.627  -6.627
  583   2HB   ALA  80          2HB       ALA  80  -0.287  -7.513  -7.513
  584   3HB   ALA  80          1HB       ALA  80  -1.948  -7.114  -7.114
  585    H    LEU  81           H        LEU  81   0.960  -9.215  -9.215
  586    HA   LEU  81           HA       LEU  81   2.460 -10.607 -10.607
  587   1HB   LEU  81          2HB       LEU  81   3.017  -9.799  -9.799
  588   2HB   LEU  81          1HB       LEU  81   4.197 -10.625 -10.625
  589    HG   LEU  81           HG       LEU  81   3.028  -8.387  -8.387
  590   1HD1  LEU  81          2HD1      LEU  81   2.853  -7.759  -7.759
  591   2HD1  LEU  81          1HD1      LEU  81   4.611  -7.613  -7.613
  592   3HD1  LEU  81          3HD1      LEU  81   3.598  -6.599  -6.599
  593   1HD2  LEU  81          2HD2      LEU  81   5.584  -9.682  -9.682
  594   2HD2  LEU  81          1HD2      LEU  81   5.073  -8.766  -8.766
  595   3HD2  LEU  81          3HD2      LEU  81   5.733  -7.923  -7.923
  596    H    GLU  82           H        GLU  82   1.271 -11.252 -11.252
  597    HA   GLU  82           HA       GLU  82   2.075 -14.005 -14.005
  598   1HB   GLU  82          2HB       GLU  82   0.680 -14.060 -14.060
  599   2HB   GLU  82          1HB       GLU  82   1.584 -12.547 -12.547
  600   1HG   GLU  82          2HG       GLU  82  -0.420 -11.455 -11.455
  601   2HG   GLU  82          1HG       GLU  82  -1.312 -12.956 -12.956
  602    H    LYS  83           H        LYS  83  -1.020 -12.396 -12.396
  603    HA   LYS  83           HA       LYS  83  -1.768 -14.355 -14.355
  604   1HB   LYS  83          2HB       LYS  83  -1.830 -15.956 -15.956
  605   2HB   LYS  83          1HB       LYS  83  -2.640 -14.838 -14.838
  606   1HG   LYS  83          2HG       LYS  83  -4.670 -14.922 -14.922
  607   2HG   LYS  83          1HG       LYS  83  -3.868 -15.905 -15.905
  608   1HD   LYS  83          2HD       LYS  83  -3.619 -17.061 -17.061
  609   2HD   LYS  83          1HD       LYS  83  -5.303 -16.871 -16.871
  610   1HE   LYS  83          2HE       LYS  83  -5.076 -18.733 -18.733
  611   2HE   LYS  83          1HE       LYS  83  -3.914 -17.845 -17.845
  612   1HZ   LYS  83          2HZ       LYS  83  -2.181 -18.375 -18.375
  613   2HZ   LYS  83          1HZ       LYS  83  -3.292 -19.283 -19.283
  614   3HZ   LYS  83          3HZ       LYS  83  -2.862 -19.789 -19.789
  615    H    GLU  84           H        GLU  84  -3.026 -12.115 -12.115
  616    HA   GLU  84           HA       GLU  84  -5.560 -11.767 -11.767
  617   1HB   GLU  84          2HB       GLU  84  -4.250 -10.811 -10.811
  618   2HB   GLU  84          1HB       GLU  84  -5.587  -9.852  -9.852
  619   1HG   GLU  84          2HG       GLU  84  -6.869 -12.072 -12.072
  620   2HG   GLU  84          1HG       GLU  84  -5.610 -12.753 -12.753
  621    HA   PRO  85           HA       PRO  85  -3.584  -8.653  -8.653
  622   1HB   PRO  85          2HB       PRO  85  -5.650  -8.518  -8.518
  623   2HB   PRO  85          1HB       PRO  85  -4.415  -9.791  -9.791
  624   1HG   PRO  85          2HG       PRO  85  -7.184  -9.882  -9.882
  625   2HG   PRO  85          1HG       PRO  85  -6.287 -11.109 -11.109
  626   1HD   PRO  85          2HD       PRO  85  -6.618 -11.203 -11.203
  627   2HD   PRO  85          1HD       PRO  85  -5.212 -11.891 -11.891
  628    H    VAL  86           H        VAL  86  -5.193  -6.774  -6.774
  629    HA   VAL  86           HA       VAL  86  -6.359  -5.299  -5.299
  630    HB   VAL  86           HB       VAL  86  -5.370  -4.356  -4.356
  631   1HG1  VAL  86          2HG1      VAL  86  -6.122  -2.916  -2.916
  632   2HG1  VAL  86          1HG1      VAL  86  -5.230  -2.153  -2.153
  633   3HG1  VAL  86          3HG1      VAL  86  -6.870  -2.740  -2.740
  634   1HG2  VAL  86          3HG2      VAL  86  -3.794  -5.472  -5.472
  635   2HG2  VAL  86          2HG2      VAL  86  -3.256  -4.145  -4.145
  636   3HG2  VAL  86          1HG2      VAL  86  -3.851  -3.818  -3.818
  637    HA   PRO  87           HA       PRO  87 -10.176  -5.644  -5.644
  638   1HB   PRO  87          2HB       PRO  87 -11.618  -3.750  -3.750
  639   2HB   PRO  87          1HB       PRO  87 -11.172  -5.315  -5.315
  640   1HG   PRO  87          2HG       PRO  87 -10.129  -2.646  -2.646
  641   2HG   PRO  87          1HG       PRO  87 -10.063  -4.123  -4.123
  642   1HD   PRO  87          2HD       PRO  87  -7.999  -2.973  -2.973
  643   2HD   PRO  87          1HD       PRO  87  -7.929  -4.461  -4.461
  644    H    MET  88           H        MET  88 -11.991  -3.681  -3.681
  645    HA   MET  88           HA       MET  88 -10.377  -1.806  -1.806
  646   1HB   MET  88          2HB       MET  88 -12.949  -3.307  -3.307
  647   2HB   MET  88          1HB       MET  88 -12.202  -2.163  -2.163
  648   1HG   MET  88          2HG       MET  88 -10.161  -3.555  -3.555
  649   2HG   MET  88          1HG       MET  88 -10.919  -4.708  -4.708
  650   1HE   MET  88          3HE       MET  88 -11.376  -2.617  -2.617
  651   2HE   MET  88          2HE       MET  88 -12.231  -3.579  -3.579
  652   3HE   MET  88          1HE       MET  88 -13.122  -2.865  -2.865
  653    H    SER  89           H        SER  89 -12.212  -1.701  -1.701
  654    HA   SER  89           HA       SER  89 -13.072   1.029   1.029
  655   1HB   SER  89          2HB       SER  89 -14.664  -0.888  -0.888
  656   2HB   SER  89          1HB       SER  89 -15.345  -0.752  -0.752
  657    HG   SER  89           HG       SER  89 -15.640   1.457   1.457
  658    H    LEU  90           H        LEU  90 -11.730  -0.764  -0.764
  659    HA   LEU  90           HA       LEU  90 -11.498  -0.844  -0.844
  660   1HB   LEU  90          2HB       LEU  90 -12.218   1.728   1.728
  661   2HB   LEU  90          1HB       LEU  90 -13.120   1.469   1.469
  662    HG   LEU  90           HG       LEU  90 -10.142   1.030   1.030
  663   1HD1  LEU  90          3HD1      LEU  90 -11.704   3.298   3.298
  664   2HD1  LEU  90          2HD1      LEU  90  -9.955   3.091   3.091
  665   3HD1  LEU  90          1HD1      LEU  90 -10.711   3.409   3.409
  666   1HD2  LEU  90          1HD2      LEU  90 -12.137   0.464   0.464
  667   2HD2  LEU  90          3HD2      LEU  90 -10.526  -0.216  -0.216
  668   3HD2  LEU  90          2HD2      LEU  90 -10.720   1.339   1.339
  669    HA   PRO  91           HA       PRO  91 -15.411  -2.748  -2.748
  670   1HB   PRO  91          2HB       PRO  91 -14.409  -4.142  -4.142
  671   2HB   PRO  91          1HB       PRO  91 -14.227  -4.683  -4.683
  672   1HG   PRO  91          2HG       PRO  91 -12.269  -3.330  -3.330
  673   2HG   PRO  91          1HG       PRO  91 -12.010  -4.590  -4.590
  674   1HD   PRO  91          2HD       PRO  91 -11.453  -1.934  -1.934
  675   2HD   PRO  91          1HD       PRO  91 -11.814  -3.082  -3.082
  676    HA   PRO  92           HA       PRO  92 -16.742  -0.194  -0.194
  677   1HB   PRO  92          2HB       PRO  92 -18.376  -1.829  -1.829
  678   2HB   PRO  92          1HB       PRO  92 -18.810  -1.203  -1.203
  679   1HG   PRO  92          2HG       PRO  92 -17.767  -3.883  -3.883
  680   2HG   PRO  92          1HG       PRO  92 -18.996  -3.450  -3.450
  681   1HD   PRO  92          2HD       PRO  92 -16.424  -4.088  -4.088
  682   2HD   PRO  92          1HD       PRO  92 -17.445  -3.013  -3.013
  683    H    ALA  93           H        ALA  93 -14.991  -3.082  -3.082
  684    HA   ALA  93           HA       ALA  93 -14.811  -2.345  -2.345
  685   1HB   ALA  93          3HB       ALA  93 -14.756  -4.691  -4.691
  686   2HB   ALA  93          2HB       ALA  93 -13.072  -4.468  -4.468
  687   3HB   ALA  93          1HB       ALA  93 -14.338  -4.553  -4.553
  688    H    LEU  94           H        LEU  94 -13.423  -0.987  -0.987
  689    HA   LEU  94           HA       LEU  94 -10.659  -0.986  -0.986
  690   1HB   LEU  94          2HB       LEU  94 -11.869  -0.783  -0.783
  691   2HB   LEU  94          1HB       LEU  94 -10.309  -0.009  -0.009
  692    HG   LEU  94           HG       LEU  94 -10.240  -2.444  -2.444
  693   1HD1  LEU  94          2HD1      LEU  94  -8.917  -1.505  -1.505
  694   2HD1  LEU  94          1HD1      LEU  94  -8.455  -2.997  -2.997
  695   3HD1  LEU  94          3HD1      LEU  94  -8.263  -1.444  -1.444
  696   1HD2  LEU  94          3HD2      LEU  94 -12.129  -3.073  -3.073
  697   2HD2  LEU  94          2HD2      LEU  94 -10.746  -4.166  -4.166
  698   3HD2  LEU  94          1HD2      LEU  94 -10.907  -3.003  -3.003
  699    H    VAL  95           H        VAL  95 -13.429   1.010   1.010
  700    HA   VAL  95           HA       VAL  95 -11.968   3.537   3.537
  701    HB   VAL  95           HB       VAL  95 -14.903   3.118   3.118
  702   1HG1  VAL  95          1HG1      VAL  95 -13.949   5.423   5.423
  703   2HG1  VAL  95          3HG1      VAL  95 -13.397   5.204   5.204
  704   3HG1  VAL  95          2HG1      VAL  95 -15.124   5.211   5.211
  705   1HG2  VAL  95          1HG2      VAL  95 -13.327   2.379   2.379
  706   2HG2  VAL  95          3HG2      VAL  95 -14.933   1.843   1.843
  707   3HG2  VAL  95          2HG2      VAL  95 -14.736   3.385   3.385
  708    HA   PRO  96           HA       PRO  96 -11.627   3.827   3.827
  709   1HB   PRO  96          2HB       PRO  96 -10.551   6.354   6.354
  710   2HB   PRO  96          1HB       PRO  96  -9.606   4.903   4.903
  711   1HG   PRO  96          2HG       PRO  96 -10.803   6.931   6.931
  712   2HG   PRO  96          1HG       PRO  96  -9.244   6.098   6.098
  713   1HD   PRO  96          2HD       PRO  96 -11.411   5.397   5.397
  714   2HD   PRO  96          1HD       PRO  96 -10.145   4.247   4.247
  715    HA   PRO  97           HA       PRO  97 -15.077   6.240   6.240
  716   1HB   PRO  97          2HB       PRO  97 -14.179   7.833   7.833
  717   2HB   PRO  97          1HB       PRO  97 -14.438   6.084   6.084
  718   1HG   PRO  97          2HG       PRO  97 -11.902   7.580   7.580
  719   2HG   PRO  97          1HG       PRO  97 -12.211   6.216   6.216
  720   1HD   PRO  97          2HD       PRO  97 -11.017   5.886   5.886
  721   2HD   PRO  97          1HD       PRO  97 -12.101   4.657   4.657
  722    H    SER  98           H        SER  98 -15.952   8.535   8.535
  723    HA   SER  98           HA       SER  98 -16.098  10.768  10.768
  724   1HB   SER  98          2HB       SER  98 -14.145  11.882  11.882
  725   2HB   SER  98          1HB       SER  98 -13.400  10.313  10.313
  726    HG   SER  98           HG       SER  98 -12.372  11.488  11.488
  727    H    LYS  99           H        LYS  99 -13.866   8.939   8.939
  728    HA   LYS  99           HA       LYS  99 -15.222  10.005  10.005
  729   1HB   LYS  99          2HB       LYS  99 -12.797   8.333   8.333
  730   2HB   LYS  99          1HB       LYS  99 -13.412   8.388   8.388
  731   1HG   LYS  99          2HG       LYS  99 -13.065  10.985  10.985
  732   2HG   LYS  99          1HG       LYS  99 -11.610  10.156  10.156
  733   1HD   LYS  99          2HD       LYS  99 -13.110   9.904   9.904
  734   2HD   LYS  99          1HD       LYS  99 -13.800  11.398  11.398
  735   1HE   LYS  99          2HE       LYS  99 -10.813  11.160  11.160
  736   2HE   LYS  99          1HE       LYS  99 -11.647  11.466  11.466
  737   1HZ   LYS  99          2HZ       LYS  99 -12.963  13.185  13.185
  738   2HZ   LYS  99          1HZ       LYS  99 -11.760  13.055  13.055
  739   3HZ   LYS  99          3HZ       LYS  99 -11.352  13.578  13.578
  740    H    ARG 100           H        ARG 100 -16.241   7.925   7.925
  741    HA   ARG 100           HA       ARG 100 -16.551   5.357   5.357
  742   1HB   ARG 100          2HB       ARG 100 -18.392   7.190   7.190
  743   2HB   ARG 100          1HB       ARG 100 -18.801   5.503   5.503
  744   1HG   ARG 100          2HG       ARG 100 -16.080   5.682   5.682
  745   2HG   ARG 100          1HG       ARG 100 -17.154   6.511   6.511
  746   1HD   ARG 100          2HD       ARG 100 -17.044   4.165   4.165
  747   2HD   ARG 100          1HD       ARG 100 -18.645   4.451   4.451
  748    HE   ARG 100           HE       ARG 100 -16.687   3.702   3.702
  749   1HH1  ARG 100          1HH2      ARG 100 -19.565   2.885   2.885
  750   2HH1  ARG 100          2HH2      ARG 100 -19.441   1.181   1.181
  751   1HH2  ARG 100          2HH1      ARG 100 -16.184   1.346   1.346
  752   2HH2  ARG 100          1HH1      ARG 100 -17.527   0.311   0.311

  Start of MODEL   12
    1    HA   PRO   6           HA       PRO   6 -14.592  -1.439  -1.439
    2   1HB   PRO   6          2HB       PRO   6 -12.573  -3.234  -3.234
    3   2HB   PRO   6          1HB       PRO   6 -14.055  -3.199  -3.199
    4   1HG   PRO   6          2HG       PRO   6 -13.316  -5.004  -5.004
    5   2HG   PRO   6          1HG       PRO   6 -14.161  -5.374  -5.374
    6   1HD   PRO   6          2HD       PRO   6 -15.434  -5.063  -5.063
    7   2HD   PRO   6          1HD       PRO   6 -16.195  -4.707  -4.707
    8    H    TRP   7           H        TRP   7 -11.871  -1.409  -1.409
    9    HA   TRP   7           HA       TRP   7 -11.561  -0.655  -0.655
   10   1HB   TRP   7          2HB       TRP   7 -10.787   0.713   0.713
   11   2HB   TRP   7          1HB       TRP   7  -9.599  -0.546  -0.546
   12    HD1  TRP   7           HD1      TRP   7 -10.177  -0.175  -0.175
   13    HE1  TRP   7           HE1      TRP   7  -8.242   1.116   1.116
   14    HE3  TRP   7           HE3      TRP   7  -7.834   1.598   1.598
   15    HZ2  TRP   7           HZ2      TRP   7  -5.986   2.704   2.704
   16    HZ3  TRP   7           HZ3      TRP   7  -5.795   2.998   2.998
   17    HH2  TRP   7           HH2      TRP   7  -4.870   3.551   3.551
   18    H    ALA   8           H        ALA   8 -10.830  -2.120  -2.120
   19    HA   ALA   8           HA       ALA   8 -10.038  -4.742  -4.742
   20   1HB   ALA   8          1HB       ALA   8 -10.188  -2.880  -2.880
   21   2HB   ALA   8          3HB       ALA   8  -8.510  -3.419  -3.419
   22   3HB   ALA   8          2HB       ALA   8  -9.819  -4.594  -4.594
   23    H    VAL   9           H        VAL   9  -8.145  -1.825  -1.825
   24    HA   VAL   9           HA       VAL   9  -5.624  -3.353  -3.353
   25    HB   VAL   9           HB       VAL   9  -6.423  -0.435  -0.435
   26   1HG1  VAL   9          2HG1      VAL   9  -3.678  -1.609  -1.609
   27   2HG1  VAL   9          1HG1      VAL   9  -4.019   0.098   0.098
   28   3HG1  VAL   9          3HG1      VAL   9  -4.659  -0.706  -0.706
   29   1HG2  VAL   9          2HG2      VAL   9  -6.131  -1.878  -1.878
   30   2HG2  VAL   9          1HG2      VAL   9  -5.199  -0.382  -0.382
   31   3HG2  VAL   9          3HG2      VAL   9  -4.416  -1.925  -1.925
   32    H    LYS  10           H        LYS  10  -4.892  -3.959  -3.959
   33    HA   LYS  10           HA       LYS  10  -6.411  -3.114  -3.114
   34   1HB   LYS  10          2HB       LYS  10  -4.840  -5.387  -5.387
   35   2HB   LYS  10          1HB       LYS  10  -4.393  -4.926  -4.926
   36   1HG   LYS  10          2HG       LYS  10  -7.163  -4.772  -4.772
   37   2HG   LYS  10          1HG       LYS  10  -6.852  -6.183  -6.183
   38   1HD   LYS  10          2HD       LYS  10  -5.060  -6.240  -6.240
   39   2HD   LYS  10          1HD       LYS  10  -6.710  -6.019  -6.019
   40   1HE   LYS  10          2HE       LYS  10  -7.464  -8.029  -8.029
   41   2HE   LYS  10          1HE       LYS  10  -6.065  -8.112  -8.112
   42   1HZ   LYS  10          1HZ       LYS  10  -4.658  -8.219  -8.219
   43   2HZ   LYS  10          3HZ       LYS  10  -6.078  -8.444  -8.444
   44   3HZ   LYS  10          2HZ       LYS  10  -5.622  -9.592  -9.592
   45    HA   PRO  11           HA       PRO  11  -3.249  -0.583  -0.583
   46   1HB   PRO  11          2HB       PRO  11  -2.601  -1.714  -1.714
   47   2HB   PRO  11          1HB       PRO  11  -4.119  -0.836  -0.836
   48   1HG   PRO  11          2HG       PRO  11  -3.605  -3.775  -3.775
   49   2HG   PRO  11          1HG       PRO  11  -4.969  -2.865  -2.865
   50   1HD   PRO  11          2HD       PRO  11  -5.142  -4.188  -4.188
   51   2HD   PRO  11          1HD       PRO  11  -6.026  -2.676  -2.676
   52    H    GLU  12           H        GLU  12  -2.470  -4.044  -4.044
   53    HA   GLU  12           HA       GLU  12   0.409  -3.655  -3.655
   54   1HB   GLU  12          2HB       GLU  12   0.391  -6.108  -6.108
   55   2HB   GLU  12          1HB       GLU  12  -0.762  -5.660  -5.660
   56   1HG   GLU  12          2HG       GLU  12  -2.331  -6.731  -6.731
   57   2HG   GLU  12          1HG       GLU  12  -2.213  -5.397  -5.397
   58    H    ASP  13           H        ASP  13  -1.934  -3.866  -3.866
   59    HA   ASP  13           HA       ASP  13   0.116  -4.270  -4.270
   60   1HB   ASP  13          2HB       ASP  13  -2.860  -4.070  -4.070
   61   2HB   ASP  13          1HB       ASP  13  -2.146  -3.710  -3.710
   62    H    LYS  14           H        LYS  14  -1.940  -1.705  -1.705
   63    HA   LYS  14           HA       LYS  14  -1.075   0.303   0.303
   64   1HB   LYS  14          2HB       LYS  14  -3.178  -0.007  -0.007
   65   2HB   LYS  14          1HB       LYS  14  -2.163   1.043   1.043
   66   1HG   LYS  14          2HG       LYS  14  -2.645   1.701   1.701
   67   2HG   LYS  14          1HG       LYS  14  -3.841   2.140   2.140
   68   1HD   LYS  14          2HD       LYS  14  -1.356   2.894   2.894
   69   2HD   LYS  14          1HD       LYS  14  -1.309   3.409   3.409
   70   1HE   LYS  14          2HE       LYS  14  -2.773   5.091   5.091
   71   2HE   LYS  14          1HE       LYS  14  -3.900   3.984   3.984
   72   1HZ   LYS  14          3HZ       LYS  14  -2.278   3.990   3.990
   73   2HZ   LYS  14          2HZ       LYS  14  -1.505   5.303   5.303
   74   3HZ   LYS  14          1HZ       LYS  14  -3.119   5.445   5.445
   75    H    ALA  15           H        ALA  15   0.268  -1.128  -1.128
   76    HA   ALA  15           HA       ALA  15   1.814   1.145   1.145
   77   1HB   ALA  15          1HB       ALA  15   1.372  -1.688  -1.688
   78   2HB   ALA  15          3HB       ALA  15   3.071  -1.245  -1.245
   79   3HB   ALA  15          2HB       ALA  15   1.836  -0.392  -0.392
   80    H    LYS  16           H        LYS  16   2.411  -1.620  -1.620
   81    HA   LYS  16           HA       LYS  16   5.170  -0.821  -0.821
   82   1HB   LYS  16          2HB       LYS  16   5.202  -2.963  -2.963
   83   2HB   LYS  16          1HB       LYS  16   3.523  -3.092  -3.092
   84   1HG   LYS  16          2HG       LYS  16   2.703  -2.628  -2.628
   85   2HG   LYS  16          1HG       LYS  16   4.231  -1.936  -1.936
   86   1HD   LYS  16          2HD       LYS  16   3.854  -4.210  -4.210
   87   2HD   LYS  16          1HD       LYS  16   5.292  -4.138  -4.138
   88   1HE   LYS  16          2HE       LYS  16   4.354  -5.981  -5.981
   89   2HE   LYS  16          1HE       LYS  16   3.363  -4.778  -4.778
   90   1HZ   LYS  16          2HZ       LYS  16   2.575  -5.593  -5.593
   91   2HZ   LYS  16          1HZ       LYS  16   2.241  -6.654  -6.654
   92   3HZ   LYS  16          3HZ       LYS  16   1.606  -5.081  -5.081
   93    H    TYR  17           H        TYR  17   1.975  -0.199  -0.199
   94    HA   TYR  17           HA       TYR  17   2.761   0.864   0.864
   95   1HB   TYR  17          2HB       TYR  17   0.333   1.267   1.267
   96   2HB   TYR  17          1HB       TYR  17   0.423   1.779   1.779
   97    HD1  TYR  17           HD1      TYR  17   2.342  -1.127  -1.127
   98    HD2  TYR  17           HD2      TYR  17  -1.750   0.166   0.166
   99    HE1  TYR  17           HE1      TYR  17   1.627  -3.382  -3.382
  100    HE2  TYR  17           HE2      TYR  17  -2.472  -2.090  -2.090
  101    HH   TYR  17           HH       TYR  17  -0.109  -4.576  -4.576
  102    H    ASP  18           H        ASP  18   2.521   2.085   2.085
  103    HA   ASP  18           HA       ASP  18   2.671   4.922   4.922
  104   1HB   ASP  18          2HB       ASP  18   2.087   3.267   3.267
  105   2HB   ASP  18          1HB       ASP  18   3.404   4.344   4.344
  106    H    ALA  19           H        ALA  19   4.896   2.359   2.359
  107    HA   ALA  19           HA       ALA  19   7.189   4.134   4.134
  108   1HB   ALA  19          3HB       ALA  19   6.964   1.862   1.862
  109   2HB   ALA  19          2HB       ALA  19   6.979   1.162   1.162
  110   3HB   ALA  19          1HB       ALA  19   8.413   1.980   1.980
  111    H    ILE  20           H        ILE  20   5.765   2.221   2.221
  112    HA   ILE  20           HA       ILE  20   7.826   2.751   2.751
  113    HB   ILE  20           HB       ILE  20   4.943   1.799   1.799
  114   1HG1  ILE  20          2HG1      ILE  20   7.546   0.273   0.273
  115   2HG1  ILE  20          1HG1      ILE  20   6.607   0.334   0.334
  116   1HG2  ILE  20          1HG2      ILE  20   7.037   1.843   1.843
  117   2HG2  ILE  20          3HG2      ILE  20   5.487   1.016   1.016
  118   3HG2  ILE  20          2HG2      ILE  20   5.542   2.771   2.771
  119   1HD1  ILE  20          1HD1      ILE  20   5.533  -0.642  -0.642
  120   2HD1  ILE  20          3HD1      ILE  20   6.109  -1.697  -1.697
  121   3HD1  ILE  20          2HD1      ILE  20   4.690  -0.680  -0.680
  122    H    PHE  21           H        PHE  21   4.763   4.124   4.124
  123    HA   PHE  21           HA       PHE  21   4.381   6.014   6.014
  124   1HB   PHE  21          2HB       PHE  21   2.485   5.701   5.701
  125   2HB   PHE  21          1HB       PHE  21   3.415   5.490   5.490
  126    HD1  PHE  21           HD2      PHE  21   4.477   7.535   7.535
  127    HD2  PHE  21           HD1      PHE  21   1.543   7.811   7.811
  128    HE1  PHE  21           HE2      PHE  21   4.034   9.892   9.892
  129    HE2  PHE  21           HE1      PHE  21   1.098  10.170  10.170
  130    HZ   PHE  21           HZ       PHE  21   2.350  11.209  11.209
  131    H    ASP  22           H        ASP  22   6.073   6.107   6.107
  132    HA   ASP  22           HA       ASP  22   6.965   8.889   8.889
  133   1HB   ASP  22          2HB       ASP  22   6.357   8.321   8.321
  134   2HB   ASP  22          1HB       ASP  22   7.220   6.781   6.781
  135    H    SER  23           H        SER  23   7.893   5.983   5.983
  136    HA   SER  23           HA       SER  23  10.826   6.399   6.399
  137   1HB   SER  23          2HB       SER  23   8.933   4.242   4.242
  138   2HB   SER  23          1HB       SER  23  10.357   4.262   4.262
  139    HG   SER  23           HG       SER  23  11.645   4.102   4.102
  140    H    LEU  24           H        LEU  24   8.373   7.610   7.610
  141    HA   LEU  24           HA       LEU  24  10.028   7.857   7.857
  142   1HB   LEU  24          2HB       LEU  24   7.152   8.536   8.536
  143   2HB   LEU  24          1HB       LEU  24   8.087   7.554   7.554
  144    HG   LEU  24           HG       LEU  24   7.179   6.610   6.610
  145   1HD1  LEU  24          3HD1      LEU  24   5.446   7.149   7.149
  146   2HD1  LEU  24          2HD1      LEU  24   5.985   5.563   5.563
  147   3HD1  LEU  24          1HD1      LEU  24   5.258   5.741   5.741
  148   1HD2  LEU  24          1HD2      LEU  24   9.074   5.620   5.620
  149   2HD2  LEU  24          3HD2      LEU  24   8.447   4.794   4.794
  150   3HD2  LEU  24          2HD2      LEU  24   7.658   4.578   4.578
  151    H    SER  25           H        SER  25   9.033   9.432   9.432
  152    HA   SER  25           HA       SER  25   9.362  11.698  11.698
  153   1HB   SER  25          2HB       SER  25  10.647  11.487  11.487
  154   2HB   SER  25          1HB       SER  25   9.488  12.782  12.782
  155    HG   SER  25           HG       SER  25  11.779  12.949  12.949
  156    HA   PRO  26           HA       PRO  26   4.947  12.125  12.125
  157   1HB   PRO  26          2HB       PRO  26   4.206  12.633  12.633
  158   2HB   PRO  26          1HB       PRO  26   4.432  10.987  10.987
  159   1HG   PRO  26          2HG       PRO  26   6.235  12.633  12.633
  160   2HG   PRO  26          1HG       PRO  26   5.927  10.891  10.891
  161   1HD   PRO  26          2HD       PRO  26   8.149  12.045  12.045
  162   2HD   PRO  26          1HD       PRO  26   7.504  10.454  10.454
  163    H    VAL  27           H        VAL  27   3.767  14.046  14.046
  164    HA   VAL  27           HA       VAL  27   5.174  16.544  16.544
  165    HB   VAL  27           HB       VAL  27   3.369  16.043  16.043
  166   1HG1  VAL  27          2HG1      VAL  27   3.618  18.410  18.410
  167   2HG1  VAL  27          1HG1      VAL  27   5.236  18.374  18.374
  168   3HG1  VAL  27          3HG1      VAL  27   3.818  18.249  18.249
  169   1HG2  VAL  27          1HG2      VAL  27   6.320  15.861  15.861
  170   2HG2  VAL  27          3HG2      VAL  27   5.283  14.922  14.922
  171   3HG2  VAL  27          2HG2      VAL  27   5.759  16.562  16.562
  172    H    ASN  28           H        ASN  28   4.020  17.222  17.222
  173    HA   ASN  28           HA       ASN  28   2.162  17.898  17.898
  174   1HB   ASN  28          2HB       ASN  28   1.896  19.404  19.404
  175   2HB   ASN  28          1HB       ASN  28   1.102  18.137  18.137
  176   1HD2  ASN  28          1HD2      ASN  28  -1.151  17.900  17.900
  177   2HD2  ASN  28          2HD2      ASN  28  -2.067  18.748  18.748
  178    H    GLY  29           H        GLY  29   2.484  14.994  14.994
  179   1HA   GLY  29          2HA       GLY  29   1.241  13.101  13.101
  180   2HA   GLY  29          1HA       GLY  29  -0.213  14.101  14.101
  181    H    PHE  30           H        PHE  30   2.011  13.928  13.928
  182    HA   PHE  30           HA       PHE  30   0.133  12.209  12.209
  183   1HB   PHE  30          2HB       PHE  30   0.794  15.104  15.104
  184   2HB   PHE  30          1HB       PHE  30   0.190  14.058  14.058
  185    HD1  PHE  30           HD2      PHE  30  -2.034  13.063  13.063
  186    HD2  PHE  30           HD1      PHE  30  -0.603  15.729  15.729
  187    HE1  PHE  30           HE2      PHE  30  -4.352  13.331  13.331
  188    HE2  PHE  30           HE1      PHE  30  -2.899  15.993  15.993
  189    HZ   PHE  30           HZ       PHE  30  -4.788  14.800  14.800
  190    H    LEU  31           H        LEU  31   1.087  11.270  11.270
  191    HA   LEU  31           HA       LEU  31   4.031  11.765  11.765
  192   1HB   LEU  31          2HB       LEU  31   2.348   9.264   9.264
  193   2HB   LEU  31          1HB       LEU  31   3.917   9.326   9.326
  194    HG   LEU  31           HG       LEU  31   3.524  10.077  10.077
  195   1HD1  LEU  31          2HD1      LEU  31   3.587   7.465   7.465
  196   2HD1  LEU  31          1HD1      LEU  31   4.984   7.682   7.682
  197   3HD1  LEU  31          3HD1      LEU  31   3.356   7.875   7.875
  198   1HD2  LEU  31          3HD2      LEU  31   5.831   9.812   9.812
  199   2HD2  LEU  31          2HD2      LEU  31   5.542  11.024  11.024
  200   3HD2  LEU  31          1HD2      LEU  31   6.088   9.405   9.405
  201    H    SER  32           H        SER  32   4.613  12.432  12.432
  202    HA   SER  32           HA       SER  32   2.611  12.848  12.848
  203   1HB   SER  32          2HB       SER  32   5.197  13.326  13.326
  204   2HB   SER  32          1HB       SER  32   4.086  14.517  14.517
  205    HG   SER  32           HG       SER  32   5.429  14.680  14.680
  206    H    GLY  33           H        GLY  33   2.323  11.680  11.680
  207   1HA   GLY  33          2HA       GLY  33   2.988   8.996   8.996
  208   2HA   GLY  33          1HA       GLY  33   2.737  10.037  10.037
  209    H    ASP  34           H        ASP  34   5.046  11.770  11.770
  210    HA   ASP  34           HA       ASP  34   7.117  10.590  10.590
  211   1HB   ASP  34          2HB       ASP  34   6.969  12.964  12.964
  212   2HB   ASP  34          1HB       ASP  34   7.014  12.767  12.767
  213    H    LYS  35           H        LYS  35   6.171  10.058  10.058
  214    HA   LYS  35           HA       LYS  35   8.757   8.647   8.647
  215   1HB   LYS  35          2HB       LYS  35   7.379   8.923   8.923
  216   2HB   LYS  35          1HB       LYS  35   8.721   9.925   9.925
  217   1HG   LYS  35          2HG       LYS  35   6.882  11.305  11.305
  218   2HG   LYS  35          1HG       LYS  35   5.768  10.494  10.494
  219   1HD   LYS  35          2HD       LYS  35   6.313  12.327  12.327
  220   2HD   LYS  35          1HD       LYS  35   7.605  11.238  11.238
  221   1HE   LYS  35          2HE       LYS  35   8.606  12.413  12.413
  222   2HE   LYS  35          1HE       LYS  35   7.788  13.748  13.748
  223   1HZ   LYS  35          2HZ       LYS  35   9.304  11.917  11.917
  224   2HZ   LYS  35          1HZ       LYS  35  10.226  12.918  12.918
  225   3HZ   LYS  35          3HZ       LYS  35   9.151  13.605  13.605
  226    H    VAL  36           H        VAL  36   5.242   8.436   8.436
  227    HA   VAL  36           HA       VAL  36   5.226   5.724   5.724
  228    HB   VAL  36           HB       VAL  36   3.145   7.427   7.427
  229   1HG1  VAL  36          3HG1      VAL  36   3.133   4.644   4.644
  230   2HG1  VAL  36          2HG1      VAL  36   1.879   5.591   5.591
  231   3HG1  VAL  36          1HG1      VAL  36   1.941   5.522   5.522
  232   1HG2  VAL  36          1HG2      VAL  36   3.931   6.977   6.977
  233   2HG2  VAL  36          3HG2      VAL  36   3.726   8.507   8.507
  234   3HG2  VAL  36          2HG2      VAL  36   2.315   7.537   7.537
  235    H    LYS  37           H        LYS  37   4.476   7.141   7.141
  236    HA   LYS  37           HA       LYS  37   3.935   4.890   4.890
  237   1HB   LYS  37          2HB       LYS  37   4.089   7.308   7.308
  238   2HB   LYS  37          1HB       LYS  37   5.834   7.098   7.098
  239   1HG   LYS  37          2HG       LYS  37   5.145   4.986   4.986
  240   2HG   LYS  37          1HG       LYS  37   3.669   5.920   5.920
  241   1HD   LYS  37          2HD       LYS  37   4.987   7.831   7.831
  242   2HD   LYS  37          1HD       LYS  37   6.479   6.928   6.928
  243   1HE   LYS  37          2HE       LYS  37   5.582   5.158   5.158
  244   2HE   LYS  37          1HE       LYS  37   4.286   6.300   6.300
  245   1HZ   LYS  37          2HZ       LYS  37   6.874   7.534   7.534
  246   2HZ   LYS  37          1HZ       LYS  37   6.790   6.289   6.289
  247   3HZ   LYS  37          3HZ       LYS  37   5.689   7.577   7.577
  248    HA   PRO  38           HA       PRO  38   8.635   3.919   3.919
  249   1HB   PRO  38          2HB       PRO  38  10.300   4.987   4.987
  250   2HB   PRO  38          1HB       PRO  38   9.982   5.780   5.780
  251   1HG   PRO  38          2HG       PRO  38   8.786   6.320   6.320
  252   2HG   PRO  38          1HG       PRO  38   9.322   7.462   7.462
  253   1HD   PRO  38          2HD       PRO  38   6.730   6.861   6.861
  254   2HD   PRO  38          1HD       PRO  38   7.403   7.224   7.224
  255    H    VAL  39           H        VAL  39   7.256   4.528   4.528
  256    HA   VAL  39           HA       VAL  39   8.453   2.258   2.258
  257    HB   VAL  39           HB       VAL  39   6.329   4.340   4.340
  258   1HG1  VAL  39          1HG1      VAL  39   6.513   1.736   1.736
  259   2HG1  VAL  39          3HG1      VAL  39   6.296   3.164   3.164
  260   3HG1  VAL  39          2HG1      VAL  39   5.122   2.793   2.793
  261   1HG2  VAL  39          3HG2      VAL  39   8.970   4.369   4.369
  262   2HG2  VAL  39          2HG2      VAL  39   7.822   5.258   5.258
  263   3HG2  VAL  39          1HG2      VAL  39   8.430   3.688   3.688
  264    H    LEU  40           H        LEU  40   5.959   2.613   2.613
  265    HA   LEU  40           HA       LEU  40   4.517   0.179   0.179
  266   1HB   LEU  40          2HB       LEU  40   4.001   2.266   2.266
  267   2HB   LEU  40          1HB       LEU  40   2.948   0.882   0.882
  268    HG   LEU  40           HG       LEU  40   3.672   2.943   2.943
  269   1HD1  LEU  40          2HD1      LEU  40   1.151   2.627   2.627
  270   2HD1  LEU  40          1HD1      LEU  40   1.354   3.755   3.755
  271   3HD1  LEU  40          3HD1      LEU  40   2.312   3.948   3.948
  272   1HD2  LEU  40          2HD2      LEU  40   2.676   0.350   0.350
  273   2HD2  LEU  40          1HD2      LEU  40   2.557   1.627   1.627
  274   3HD2  LEU  40          3HD2      LEU  40   1.233   1.362   1.362
  275    H    LEU  41           H        LEU  41   6.949   1.251   1.251
  276    HA   LEU  41           HA       LEU  41   6.603  -0.889  -0.889
  277   1HB   LEU  41          2HB       LEU  41   8.730   1.202   1.202
  278   2HB   LEU  41          1HB       LEU  41   8.764   0.116   0.116
  279    HG   LEU  41           HG       LEU  41   6.245   1.631   1.631
  280   1HD1  LEU  41          1HD1      LEU  41   8.841   2.898   2.898
  281   2HD1  LEU  41          3HD1      LEU  41   7.856   3.287   3.287
  282   3HD1  LEU  41          2HD1      LEU  41   7.257   3.643   3.643
  283   1HD2  LEU  41          1HD2      LEU  41   7.456   0.061   0.061
  284   2HD2  LEU  41          3HD2      LEU  41   5.917   0.920   0.920
  285   3HD2  LEU  41          2HD2      LEU  41   7.403   1.710   1.710
  286    H    ASN  42           H        ASN  42   8.597  -0.177  -0.177
  287    HA   ASN  42           HA       ASN  42  10.429  -2.376  -2.376
  288   1HB   ASN  42          2HB       ASN  42  11.214  -1.763  -1.763
  289   2HB   ASN  42          1HB       ASN  42  10.701  -0.263  -0.263
  290   1HD2  ASN  42          1HD2      ASN  42   8.683   0.697   0.697
  291   2HD2  ASN  42          2HD2      ASN  42   7.971   0.275   0.275
  292    H    SER  43           H        SER  43   7.162  -2.381  -2.381
  293    HA   SER  43           HA       SER  43   7.053  -4.575  -4.575
  294   1HB   SER  43          2HB       SER  43   4.920  -3.488  -3.488
  295   2HB   SER  43          1HB       SER  43   4.680  -4.312  -4.312
  296    HG   SER  43           HG       SER  43   5.198  -1.700  -1.700
  297    H    LYS  44           H        LYS  44   8.076  -4.546  -4.546
  298    HA   LYS  44           HA       LYS  44   8.350  -6.266  -6.266
  299   1HB   LYS  44          2HB       LYS  44   8.334  -7.450  -7.450
  300   2HB   LYS  44          1HB       LYS  44   6.911  -8.215  -8.215
  301   1HG   LYS  44          2HG       LYS  44   8.365  -8.699  -8.699
  302   2HG   LYS  44          1HG       LYS  44   9.746  -8.239  -8.239
  303   1HD   LYS  44          2HD       LYS  44   9.258  -9.990  -9.990
  304   2HD   LYS  44          1HD       LYS  44   7.742 -10.373 -10.373
  305   1HE   LYS  44          2HE       LYS  44   8.935 -11.143 -11.143
  306   2HE   LYS  44          1HE       LYS  44  10.484 -10.624 -10.624
  307   1HZ   LYS  44          3HZ       LYS  44   9.945 -12.073 -12.073
  308   2HZ   LYS  44          2HZ       LYS  44   8.646 -12.705 -12.705
  309   3HZ   LYS  44          1HZ       LYS  44  10.242 -12.918 -12.918
  310    H    LEU  45           H        LEU  45   5.601  -4.798  -4.798
  311    HA   LEU  45           HA       LEU  45   3.768  -6.614  -6.614
  312   1HB   LEU  45          2HB       LEU  45   3.545  -4.251  -4.251
  313   2HB   LEU  45          1HB       LEU  45   2.213  -4.591  -4.591
  314    HG   LEU  45           HG       LEU  45   3.408  -6.603  -6.603
  315   1HD1  LEU  45          2HD1      LEU  45   1.878  -4.463  -4.463
  316   2HD1  LEU  45          1HD1      LEU  45   0.625  -5.635  -5.635
  317   3HD1  LEU  45          3HD1      LEU  45   1.823  -6.009  -6.009
  318   1HD2  LEU  45          3HD2      LEU  45   2.057  -7.103  -7.103
  319   2HD2  LEU  45          2HD2      LEU  45   1.974  -8.147  -8.147
  320   3HD2  LEU  45          1HD2      LEU  45   0.714  -6.950  -6.950
  321    HA   PRO  46           HA       PRO  46   4.117  -4.187  -4.187
  322   1HB   PRO  46          2HB       PRO  46   1.614  -4.518  -4.518
  323   2HB   PRO  46          1HB       PRO  46   2.856  -5.785  -5.785
  324   1HG   PRO  46          2HG       PRO  46   0.486  -5.479  -5.479
  325   2HG   PRO  46          1HG       PRO  46   1.248  -6.945  -6.945
  326   1HD   PRO  46          2HD       PRO  46   1.565  -6.010  -6.010
  327   2HD   PRO  46          1HD       PRO  46   2.707  -7.088  -7.088
  328    H    VAL  47           H        VAL  47   3.218  -2.209  -2.209
  329    HA   VAL  47           HA       VAL  47   2.528  -0.182  -0.182
  330    HB   VAL  47           HB       VAL  47   2.557  -0.446  -0.446
  331   1HG1  VAL  47          3HG1      VAL  47   1.525   1.820   1.820
  332   2HG1  VAL  47          2HG1      VAL  47   2.363   2.172   2.172
  333   3HG1  VAL  47          1HG1      VAL  47   0.897   1.189   1.189
  334   1HG2  VAL  47          1HG2      VAL  47   4.220   0.965   0.965
  335   2HG2  VAL  47          3HG2      VAL  47   4.729  -0.310  -0.310
  336   3HG2  VAL  47          2HG2      VAL  47   4.384   1.305   1.305
  337    H    ASP  48           H        ASP  48   0.552  -2.584  -2.584
  338    HA   ASP  48           HA       ASP  48  -1.902  -1.033  -1.033
  339   1HB   ASP  48          2HB       ASP  48  -0.964  -3.832  -3.832
  340   2HB   ASP  48          1HB       ASP  48  -2.654  -3.619  -3.619
  341    H    ILE  49           H        ILE  49  -0.377  -3.163  -3.163
  342    HA   ILE  49           HA       ILE  49  -2.500  -3.091  -3.091
  343    HB   ILE  49           HB       ILE  49   0.479  -3.309  -3.309
  344   1HG1  ILE  49          2HG1      ILE  49   0.118  -4.818  -4.818
  345   2HG1  ILE  49          1HG1      ILE  49   0.048  -5.810  -5.810
  346   1HG2  ILE  49          3HG2      ILE  49  -1.955  -3.763  -3.763
  347   2HG2  ILE  49          2HG2      ILE  49  -0.916  -5.189  -5.189
  348   3HG2  ILE  49          1HG2      ILE  49  -0.285  -3.647  -3.647
  349   1HD1  ILE  49          2HD1      ILE  49  -2.394  -4.647  -4.647
  350   2HD1  ILE  49          1HD1      ILE  49  -1.795  -6.283  -6.283
  351   3HD1  ILE  49          3HD1      ILE  49  -2.370  -5.814  -5.814
  352    H    LEU  50           H        LEU  50   0.433  -1.226  -1.226
  353    HA   LEU  50           HA       LEU  50   0.167   0.575   0.575
  354   1HB   LEU  50          2HB       LEU  50   1.470   1.140   1.140
  355   2HB   LEU  50          1HB       LEU  50   1.984   1.698   1.698
  356    HG   LEU  50           HG       LEU  50   2.279  -1.026  -1.026
  357   1HD1  LEU  50          1HD1      LEU  50   4.078   0.819   0.819
  358   2HD1  LEU  50          3HD1      LEU  50   4.550  -0.780  -0.780
  359   3HD1  LEU  50          2HD1      LEU  50   4.164   0.494   0.494
  360   1HD2  LEU  50          1HD2      LEU  50   1.724  -0.402  -0.402
  361   2HD2  LEU  50          3HD2      LEU  50   1.442  -1.891  -1.891
  362   3HD2  LEU  50          2HD2      LEU  50   3.057  -1.511  -1.511
  363    H    GLY  51           H        GLY  51  -1.373   0.366   0.366
  364   1HA   GLY  51          2HA       GLY  51  -2.283   3.180   3.180
  365   2HA   GLY  51          1HA       GLY  51  -2.657   2.010   2.010
  366    H    ARG  52           H        ARG  52  -3.396  -0.041  -0.041
  367    HA   ARG  52           HA       ARG  52  -6.175   0.896   0.896
  368   1HB   ARG  52          2HB       ARG  52  -4.932  -1.460  -1.460
  369   2HB   ARG  52          1HB       ARG  52  -5.508  -1.835  -1.835
  370   1HG   ARG  52          2HG       ARG  52  -7.721  -0.694  -0.694
  371   2HG   ARG  52          1HG       ARG  52  -7.092  -0.989  -0.989
  372   1HD   ARG  52          2HD       ARG  52  -7.134  -3.219  -3.219
  373   2HD   ARG  52          1HD       ARG  52  -8.581  -2.838  -2.838
  374    HE   ARG  52           HE       ARG  52  -6.605  -2.887  -2.887
  375   1HH1  ARG  52          1HH2      ARG  52  -8.742  -5.080  -5.080
  376   2HH1  ARG  52          2HH2      ARG  52  -7.728  -6.484  -6.484
  377   1HH2  ARG  52          2HH1      ARG  52  -4.771  -4.677  -4.677
  378   2HH2  ARG  52          1HH1      ARG  52  -5.480  -6.257  -6.257
  379    H    VAL  53           H        VAL  53  -3.492  -0.652  -0.652
  380    HA   VAL  53           HA       VAL  53  -4.702  -0.654  -0.654
  381    HB   VAL  53           HB       VAL  53  -1.840  -0.392  -0.392
  382   1HG1  VAL  53          2HG1      VAL  53  -2.833   0.163   0.163
  383   2HG1  VAL  53          1HG1      VAL  53  -2.050  -1.415  -1.415
  384   3HG1  VAL  53          3HG1      VAL  53  -1.150  -0.011  -0.011
  385   1HG2  VAL  53          3HG2      VAL  53  -3.178  -2.504  -2.504
  386   2HG2  VAL  53          2HG2      VAL  53  -1.717  -2.746  -2.746
  387   3HG2  VAL  53          1HG2      VAL  53  -3.292  -2.714  -2.714
  388    H    TRP  54           H        TRP  54  -2.887   1.878   1.878
  389    HA   TRP  54           HA       TRP  54  -2.835   3.778   3.778
  390   1HB   TRP  54          2HB       TRP  54  -1.292   4.032   4.032
  391   2HB   TRP  54          1HB       TRP  54  -2.580   3.932   3.932
  392    HD1  TRP  54           HD1      TRP  54  -4.360   6.017   6.017
  393    HE1  TRP  54           HE1      TRP  54  -3.976   8.516   8.516
  394    HE3  TRP  54           HE3      TRP  54   0.050   5.726   5.726
  395    HZ2  TRP  54           HZ2      TRP  54  -2.043  10.173  10.173
  396    HZ3  TRP  54           HZ3      TRP  54   1.141   7.776   7.776
  397    HH2  TRP  54           HH2      TRP  54   0.103   9.996   9.996
  398    H    GLU  55           H        GLU  55  -4.885   3.595   3.595
  399    HA   GLU  55           HA       GLU  55  -6.593   5.746   5.746
  400   1HB   GLU  55          2HB       GLU  55  -6.917   3.003   3.003
  401   2HB   GLU  55          1HB       GLU  55  -8.315   4.074   4.074
  402   1HG   GLU  55          2HG       GLU  55  -5.842   5.312   5.312
  403   2HG   GLU  55          1HG       GLU  55  -6.582   4.087   4.087
  404    H    LEU  56           H        LEU  56  -7.026   2.428   2.428
  405    HA   LEU  56           HA       LEU  56  -9.298   3.190   3.190
  406   1HB   LEU  56          2HB       LEU  56  -7.503   0.739   0.739
  407   2HB   LEU  56          1HB       LEU  56  -9.112   0.858   0.858
  408    HG   LEU  56           HG       LEU  56  -8.927   1.578   1.578
  409   1HD1  LEU  56          1HD1      LEU  56  -7.626  -0.754  -0.754
  410   2HD1  LEU  56          3HD1      LEU  56  -9.188  -1.301  -1.301
  411   3HD1  LEU  56          2HD1      LEU  56  -8.110  -0.378  -0.378
  412   1HD2  LEU  56          2HD2      LEU  56 -11.022   1.405   1.405
  413   2HD2  LEU  56          1HD2      LEU  56 -11.096   0.541   0.541
  414   3HD2  LEU  56          3HD2      LEU  56 -10.788  -0.342  -0.342
  415    H    SER  57           H        SER  57  -5.959   3.611   3.611
  416    HA   SER  57           HA       SER  57  -5.917   3.531   3.531
  417   1HB   SER  57          2HB       SER  57  -4.005   2.521   2.521
  418   2HB   SER  57          1HB       SER  57  -3.982   3.507   3.507
  419    HG   SER  57           HG       SER  57  -2.792   4.911   4.911
  420    H    ASP  58           H        ASP  58  -5.827   5.749   5.749
  421    HA   ASP  58           HA       ASP  58  -5.015   8.055   8.055
  422   1HB   ASP  58          2HB       ASP  58  -4.677   7.430   7.430
  423   2HB   ASP  58          1HB       ASP  58  -6.234   8.246   8.246
  424    H    ILE  59           H        ILE  59  -6.711   8.125   8.125
  425    HA   ILE  59           HA       ILE  59  -9.467   7.990   7.990
  426    HB   ILE  59           HB       ILE  59  -7.846   9.719   9.719
  427   1HG1  ILE  59          2HG1      ILE  59  -7.348   7.291   7.291
  428   2HG1  ILE  59          1HG1      ILE  59  -8.166   7.841   7.841
  429   1HG2  ILE  59          1HG2      ILE  59 -10.522   9.951   9.951
  430   2HG2  ILE  59          3HG2      ILE  59 -10.507   8.714   8.714
  431   3HG2  ILE  59          2HG2      ILE  59  -9.758  10.283  10.283
  432   1HD1  ILE  59          3HD1      ILE  59 -10.341   7.085   7.085
  433   2HD1  ILE  59          2HD1      ILE  59  -9.407   6.372   6.372
  434   3HD1  ILE  59          1HD1      ILE  59  -9.207   5.773   5.773
  435    H    ASP  60           H        ASP  60  -7.256  10.694  10.694
  436    HA   ASP  60           HA       ASP  60  -9.580  12.368  12.368
  437   1HB   ASP  60          2HB       ASP  60  -8.137  14.232  14.232
  438   2HB   ASP  60          1HB       ASP  60  -7.904  13.117  13.117
  439    H    HIS  61           H        HIS  61  -6.949  10.525  10.525
  440    HA   HIS  61           HA       HIS  61  -6.124  10.266  10.266
  441   1HB   HIS  61          2HB       HIS  61  -8.852  11.511  11.511
  442   2HB   HIS  61          1HB       HIS  61  -7.867  11.053  11.053
  443    HD1  HIS  61           HD1      HIS  61  -7.390   8.511   8.511
  444    HD2  HIS  61           HD2      HIS  61  -9.932   9.329   9.329
  445    HE1  HIS  61           HE1      HIS  61  -8.441   6.304   6.304
  446    H    ASP  62           H        ASP  62  -5.128  12.536  12.536
  447    HA   ASP  62           HA       ASP  62  -5.135  14.713  14.713
  448   1HB   ASP  62          2HB       ASP  62  -4.643  16.141  16.141
  449   2HB   ASP  62          1HB       ASP  62  -5.671  14.921  14.921
  450    H    GLY  63           H        GLY  63  -3.527  12.024  12.024
  451   1HA   GLY  63          2HA       GLY  63  -1.425  11.483  11.483
  452   2HA   GLY  63          1HA       GLY  63  -1.004  13.200  13.200
  453    H    MET  64           H        MET  64  -2.286  12.200  12.200
  454    HA   MET  64           HA       MET  64   0.394  11.583  11.583
  455   1HB   MET  64          2HB       MET  64  -1.335  13.933  13.933
  456   2HB   MET  64          1HB       MET  64  -0.791  13.245  13.245
  457   1HG   MET  64          2HG       MET  64   1.528  13.329  13.329
  458   2HG   MET  64          1HG       MET  64   0.994  13.984  13.984
  459   1HE   MET  64          3HE       MET  64   3.100  15.536  15.536
  460   2HE   MET  64          2HE       MET  64   2.875  16.697  16.697
  461   3HE   MET  64          1HE       MET  64   2.930  14.974  14.974
  462    H    LEU  65           H        LEU  65   0.227  10.644  10.644
  463    HA   LEU  65           HA       LEU  65  -2.453   9.403   9.403
  464   1HB   LEU  65          2HB       LEU  65   0.343   8.235   8.235
  465   2HB   LEU  65          1HB       LEU  65  -0.984   7.408   7.408
  466    HG   LEU  65           HG       LEU  65  -1.056   8.289   8.289
  467   1HD1  LEU  65          3HD1      LEU  65   0.112   5.938   5.938
  468   2HD1  LEU  65          2HD1      LEU  65  -1.053   5.521   5.521
  469   3HD1  LEU  65          1HD1      LEU  65   0.344   6.526   6.526
  470   1HD2  LEU  65          3HD2      LEU  65  -2.826   6.453   6.453
  471   2HD2  LEU  65          2HD2      LEU  65  -3.256   8.073   8.073
  472   3HD2  LEU  65          1HD2      LEU  65  -3.019   6.780   6.780
  473    H    ASP  66           H        ASP  66  -3.066  10.101  10.101
  474    HA   ASP  66           HA       ASP  66  -1.082  11.136  11.136
  475   1HB   ASP  66          2HB       ASP  66  -2.959  12.300  12.300
  476   2HB   ASP  66          1HB       ASP  66  -3.955  11.167  11.167
  477    H    ARG  67           H        ARG  67  -1.070  10.261  10.261
  478    HA   ARG  67           HA       ARG  67  -0.086   7.695   7.695
  479   1HB   ARG  67          2HB       ARG  67  -1.056   7.889   7.889
  480   2HB   ARG  67          1HB       ARG  67   0.041   9.156   9.156
  481   1HG   ARG  67          2HG       ARG  67  -1.615  10.732  10.732
  482   2HG   ARG  67          1HG       ARG  67  -2.835   9.562   9.562
  483   1HD   ARG  67          2HD       ARG  67  -3.570   9.926   9.926
  484   2HD   ARG  67          1HD       ARG  67  -2.379   8.655   8.655
  485    HE   ARG  67           HE       ARG  67  -0.972  11.113  11.113
  486   1HH1  ARG  67          1HH2      ARG  67  -3.501  12.003  12.003
  487   2HH1  ARG  67          2HH2      ARG  67  -3.089  11.728  11.728
  488   1HH2  ARG  67          2HH1      ARG  67  -0.395   9.673   9.673
  489   2HH2  ARG  67          1HH1      ARG  67  -1.327  10.410  10.410
  490    H    ASP  68           H        ASP  68  -3.497   8.580   8.580
  491    HA   ASP  68           HA       ASP  68  -4.364   5.830   5.830
  492   1HB   ASP  68          2HB       ASP  68  -5.898   8.309   8.309
  493   2HB   ASP  68          1HB       ASP  68  -6.595   6.845   6.845
  494    H    GLU  69           H        GLU  69  -3.989   7.968   7.968
  495    HA   GLU  69           HA       GLU  69  -5.423   6.239   6.239
  496   1HB   GLU  69          2HB       GLU  69  -3.330   8.331   8.331
  497   2HB   GLU  69          1HB       GLU  69  -4.712   7.868   7.868
  498   1HG   GLU  69          2HG       GLU  69  -6.156   8.653   8.653
  499   2HG   GLU  69          1HG       GLU  69  -4.694   9.468   9.468
  500    H    PHE  70           H        PHE  70  -2.044   6.810   6.810
  501    HA   PHE  70           HA       PHE  70  -0.900   5.063   5.063
  502   1HB   PHE  70          2HB       PHE  70   0.213   6.944   6.944
  503   2HB   PHE  70          1HB       PHE  70   0.196   5.902   5.902
  504    HD1  PHE  70           HD1      PHE  70   1.474   6.232   6.232
  505    HD2  PHE  70           HD2      PHE  70   1.738   4.092   4.092
  506    HE1  PHE  70           HE1      PHE  70   3.525   5.093   5.093
  507    HE2  PHE  70           HE2      PHE  70   3.786   2.950   2.950
  508    HZ   PHE  70           HZ       PHE  70   4.676   3.454   3.454
  509    H    ALA  71           H        ALA  71  -2.332   4.593   4.593
  510    HA   ALA  71           HA       ALA  71  -1.163   2.016   2.016
  511   1HB   ALA  71          1HB       ALA  71  -2.450   3.753   3.753
  512   2HB   ALA  71          3HB       ALA  71  -3.900   2.956   2.956
  513   3HB   ALA  71          2HB       ALA  71  -2.715   2.039   2.039
  514    H    VAL  72           H        VAL  72  -4.147   3.057   3.057
  515    HA   VAL  72           HA       VAL  72  -5.302   0.477   0.477
  516    HB   VAL  72           HB       VAL  72  -5.462   3.037   3.037
  517   1HG1  VAL  72          1HG1      VAL  72  -7.321   0.649   0.649
  518   2HG1  VAL  72          3HG1      VAL  72  -7.720   2.161   2.161
  519   3HG1  VAL  72          2HG1      VAL  72  -6.407   1.153   1.153
  520   1HG2  VAL  72          3HG2      VAL  72  -5.992   2.997   2.997
  521   2HG2  VAL  72          2HG2      VAL  72  -7.123   3.786   3.786
  522   3HG2  VAL  72          1HG2      VAL  72  -7.462   2.161   2.161
  523    H    ALA  73           H        ALA  73  -2.805   2.260   2.260
  524    HA   ALA  73           HA       ALA  73  -2.823   0.346   0.346
  525   1HB   ALA  73          1HB       ALA  73  -1.855   3.020   3.020
  526   2HB   ALA  73          3HB       ALA  73  -0.613   2.059   2.059
  527   3HB   ALA  73          2HB       ALA  73  -2.184   2.297   2.297
  528    H    MET  74           H        MET  74  -1.472   0.395   0.395
  529    HA   MET  74           HA       MET  74   1.131  -0.779  -0.779
  530   1HB   MET  74          2HB       MET  74  -0.418  -0.184  -0.184
  531   2HB   MET  74          1HB       MET  74   1.093  -1.094  -1.094
  532   1HG   MET  74          2HG       MET  74   1.021   1.476   1.476
  533   2HG   MET  74          1HG       MET  74   1.115   1.543   1.543
  534   1HE   MET  74          3HE       MET  74   2.426   1.021   1.021
  535   2HE   MET  74          2HE       MET  74   4.162   0.748   0.748
  536   3HE   MET  74          1HE       MET  74   3.057  -0.624  -0.624
  537    H    PHE  75           H        PHE  75  -1.901  -1.906  -1.906
  538    HA   PHE  75           HA       PHE  75  -0.996  -4.683  -4.683
  539   1HB   PHE  75          2HB       PHE  75  -3.019  -5.038  -5.038
  540   2HB   PHE  75          1HB       PHE  75  -2.730  -3.337  -3.337
  541    HD1  PHE  75           HD1      PHE  75  -4.700  -5.724  -5.724
  542    HD2  PHE  75           HD2      PHE  75  -4.061  -1.590  -1.590
  543    HE1  PHE  75           HE1      PHE  75  -6.847  -5.137  -5.137
  544    HE2  PHE  75           HE2      PHE  75  -6.205  -1.003  -1.003
  545    HZ   PHE  75           HZ       PHE  75  -7.600  -2.776  -2.776
  546    H    LEU  76           H        LEU  76  -2.613  -2.520  -2.520
  547    HA   LEU  76           HA       LEU  76  -3.793  -4.523  -4.523
  548   1HB   LEU  76          2HB       LEU  76  -3.167  -1.581  -1.581
  549   2HB   LEU  76          1HB       LEU  76  -3.686  -2.388  -2.388
  550    HG   LEU  76           HG       LEU  76  -5.183  -2.365  -2.365
  551   1HD1  LEU  76          2HD1      LEU  76  -5.128  -0.538  -0.538
  552   2HD1  LEU  76          1HD1      LEU  76  -6.692  -1.353  -1.353
  553   3HD1  LEU  76          3HD1      LEU  76  -6.141  -0.485  -0.485
  554   1HD2  LEU  76          2HD2      LEU  76  -5.315  -4.094  -4.094
  555   2HD2  LEU  76          1HD2      LEU  76  -6.124  -4.265  -4.265
  556   3HD2  LEU  76          3HD2      LEU  76  -6.850  -3.275  -3.275
  557    H    VAL  77           H        VAL  77  -0.667  -3.040  -3.040
  558    HA   VAL  77           HA       VAL  77   0.358  -4.057  -4.057
  559    HB   VAL  77           HB       VAL  77   1.456  -2.414  -2.414
  560   1HG1  VAL  77          3HG1      VAL  77   2.869  -3.434  -3.434
  561   2HG1  VAL  77          2HG1      VAL  77   3.491  -2.133  -2.133
  562   3HG1  VAL  77          1HG1      VAL  77   3.310  -3.756  -3.756
  563   1HG2  VAL  77          1HG2      VAL  77  -0.104  -1.345  -1.345
  564   2HG2  VAL  77          3HG2      VAL  77   1.510  -0.634  -0.634
  565   3HG2  VAL  77          2HG2      VAL  77   1.025  -1.760  -1.760
  566    H    TYR  78           H        TYR  78   0.588  -4.707  -4.707
  567    HA   TYR  78           HA       TYR  78   2.652  -6.758  -6.758
  568   1HB   TYR  78          2HB       TYR  78   1.113  -5.414  -5.414
  569   2HB   TYR  78          1HB       TYR  78   1.516  -7.095  -7.095
  570    HD1  TYR  78           HD2      TYR  78   4.051  -7.646  -7.646
  571    HD2  TYR  78           HD1      TYR  78   2.648  -3.926  -3.926
  572    HE1  TYR  78           HE2      TYR  78   6.390  -6.979  -6.979
  573    HE2  TYR  78           HE1      TYR  78   4.981  -3.262  -3.262
  574    HH   TYR  78           HH       TYR  78   7.114  -4.066  -4.066
  575    H    CYS  79           H        CYS  79  -0.856  -6.628  -6.628
  576    HA   CYS  79           HA       CYS  79  -1.182  -9.527  -9.527
  577   1HB   CYS  79          2HB       CYS  79  -2.986  -7.191  -7.191
  578   2HB   CYS  79          1HB       CYS  79  -3.585  -8.847  -8.847
  579    HG   CYS  79           HG       CYS  79  -2.134  -7.618  -7.618
  580    H    ALA  80           H        ALA  80  -0.413  -7.410  -7.410
  581    HA   ALA  80           HA       ALA  80  -1.592  -9.078  -9.078
  582   1HB   ALA  80          2HB       ALA  80   0.117  -6.597  -6.597
  583   2HB   ALA  80          1HB       ALA  80  -0.183  -7.370  -7.370
  584   3HB   ALA  80          3HB       ALA  80  -1.531  -6.739  -6.739
  585    H    LEU  81           H        LEU  81   1.226  -8.985  -8.985
  586    HA   LEU  81           HA       LEU  81   2.982 -10.315 -10.315
  587   1HB   LEU  81          2HB       LEU  81   3.478  -9.921  -9.921
  588   2HB   LEU  81          1HB       LEU  81   4.654  -9.920  -9.920
  589    HG   LEU  81           HG       LEU  81   2.709  -7.770  -7.770
  590   1HD1  LEU  81          2HD1      LEU  81   4.999  -7.749  -7.749
  591   2HD1  LEU  81          1HD1      LEU  81   5.653  -7.779  -7.779
  592   3HD1  LEU  81          3HD1      LEU  81   4.735  -6.380  -6.380
  593   1HD2  LEU  81          1HD2      LEU  81   3.859  -8.339  -8.339
  594   2HD2  LEU  81          3HD2      LEU  81   2.244  -7.775  -7.775
  595   3HD2  LEU  81          2HD2      LEU  81   3.615  -6.669  -6.669
  596    H    GLU  82           H        GLU  82   1.331 -11.000 -11.000
  597    HA   GLU  82           HA       GLU  82   2.196 -13.737 -13.737
  598   1HB   GLU  82          2HB       GLU  82   1.373 -12.374 -12.374
  599   2HB   GLU  82          1HB       GLU  82  -0.199 -12.217 -12.217
  600   1HG   GLU  82          2HG       GLU  82  -0.844 -14.109 -14.109
  601   2HG   GLU  82          1HG       GLU  82   0.363 -14.983 -14.983
  602    H    LYS  83           H        LYS  83  -0.932 -12.309 -12.309
  603    HA   LYS  83           HA       LYS  83  -1.328 -14.024 -14.024
  604   1HB   LYS  83          2HB       LYS  83  -1.350 -15.474 -15.474
  605   2HB   LYS  83          1HB       LYS  83  -3.049 -15.012 -15.012
  606   1HG   LYS  83          2HG       LYS  83  -3.299 -15.940 -15.940
  607   2HG   LYS  83          1HG       LYS  83  -1.566 -16.253 -16.253
  608   1HD   LYS  83          2HD       LYS  83  -1.653 -18.000 -18.000
  609   2HD   LYS  83          1HD       LYS  83  -3.193 -17.452 -17.452
  610   1HE   LYS  83          2HE       LYS  83  -4.397 -18.201 -18.201
  611   2HE   LYS  83          1HE       LYS  83  -2.889 -18.498 -18.498
  612   1HZ   LYS  83          2HZ       LYS  83  -2.251 -20.091 -20.091
  613   2HZ   LYS  83          1HZ       LYS  83  -3.745 -19.857 -19.857
  614   3HZ   LYS  83          3HZ       LYS  83  -3.692 -20.555 -20.555
  615    H    GLU  84           H        GLU  84  -2.726 -12.032 -12.032
  616    HA   GLU  84           HA       GLU  84  -5.379 -11.834 -11.834
  617   1HB   GLU  84          2HB       GLU  84  -3.795 -10.796 -10.796
  618   2HB   GLU  84          1HB       GLU  84  -4.841  -9.551  -9.551
  619   1HG   GLU  84          2HG       GLU  84  -6.438 -10.478 -10.478
  620   2HG   GLU  84          1HG       GLU  84  -6.541 -11.693 -11.693
  621    HA   PRO  85           HA       PRO  85  -4.017  -9.029  -9.029
  622   1HB   PRO  85          2HB       PRO  85  -6.346  -9.175  -9.175
  623   2HB   PRO  85          1HB       PRO  85  -5.086 -10.423 -10.423
  624   1HG   PRO  85          2HG       PRO  85  -7.662 -10.432 -10.432
  625   2HG   PRO  85          1HG       PRO  85  -6.820 -11.759 -11.759
  626   1HD   PRO  85          2HD       PRO  85  -6.819 -11.343 -11.343
  627   2HD   PRO  85          1HD       PRO  85  -5.569 -12.250 -12.250
  628    H    VAL  86           H        VAL  86  -5.544  -7.106  -7.106
  629    HA   VAL  86           HA       VAL  86  -7.062  -5.852  -5.852
  630    HB   VAL  86           HB       VAL  86  -5.060  -4.533  -4.533
  631   1HG1  VAL  86          3HG1      VAL  86  -6.998  -3.566  -3.566
  632   2HG1  VAL  86          2HG1      VAL  86  -5.386  -2.855  -2.855
  633   3HG1  VAL  86          1HG1      VAL  86  -6.333  -2.735  -2.735
  634   1HG2  VAL  86          2HG2      VAL  86  -4.750  -6.030  -6.030
  635   2HG2  VAL  86          1HG2      VAL  86  -3.507  -5.360  -5.360
  636   3HG2  VAL  86          3HG2      VAL  86  -4.225  -4.359  -4.359
  637    HA   PRO  87           HA       PRO  87  -9.876  -5.241  -5.241
  638   1HB   PRO  87          2HB       PRO  87 -11.973  -4.384  -4.384
  639   2HB   PRO  87          1HB       PRO  87 -11.503  -6.090  -6.090
  640   1HG   PRO  87          2HG       PRO  87 -11.121  -4.174  -4.174
  641   2HG   PRO  87          1HG       PRO  87 -11.237  -5.937  -5.937
  642   1HD   PRO  87          2HD       PRO  87  -8.884  -4.376  -4.376
  643   2HD   PRO  87          1HD       PRO  87  -8.990  -6.142  -6.142
  644    H    MET  88           H        MET  88 -11.639  -3.190  -3.190
  645    HA   MET  88           HA       MET  88  -9.944  -0.732  -0.732
  646   1HB   MET  88          2HB       MET  88 -11.686  -1.848  -1.848
  647   2HB   MET  88          1HB       MET  88 -11.738  -0.099  -0.099
  648   1HG   MET  88          2HG       MET  88  -9.160  -0.221  -0.221
  649   2HG   MET  88          1HG       MET  88  -9.375  -1.821  -1.821
  650   1HE   MET  88          3HE       MET  88  -7.714  -0.209  -0.209
  651   2HE   MET  88          2HE       MET  88  -8.285   0.723   0.723
  652   3HE   MET  88          1HE       MET  88  -8.297   1.446   1.446
  653    H    SER  89           H        SER  89 -12.335  -2.111  -2.111
  654    HA   SER  89           HA       SER  89 -14.035   0.347   0.347
  655   1HB   SER  89          2HB       SER  89 -14.693  -2.410  -2.410
  656   2HB   SER  89          1HB       SER  89 -15.811  -1.098  -1.098
  657    HG   SER  89           HG       SER  89 -15.296  -2.948  -2.948
  658    H    LEU  90           H        LEU  90 -13.147   1.574   1.574
  659    HA   LEU  90           HA       LEU  90 -11.898   0.709   0.709
  660   1HB   LEU  90          2HB       LEU  90 -12.724   3.108   3.108
  661   2HB   LEU  90          1HB       LEU  90 -13.411   3.142   3.142
  662    HG   LEU  90           HG       LEU  90 -10.545   2.359   2.359
  663   1HD1  LEU  90          1HD1      LEU  90 -11.044   4.638   4.638
  664   2HD1  LEU  90          3HD1      LEU  90 -11.520   5.159   5.159
  665   3HD1  LEU  90          2HD1      LEU  90  -9.861   4.649   4.649
  666   1HD2  LEU  90          2HD2      LEU  90 -11.762   1.927   1.927
  667   2HD2  LEU  90          1HD2      LEU  90 -10.304   2.910   2.910
  668   3HD2  LEU  90          3HD2      LEU  90 -11.891   3.676   3.676
  669    HA   PRO  91           HA       PRO  91 -15.732  -0.816  -0.816
  670   1HB   PRO  91          2HB       PRO  91 -14.529  -2.489  -2.489
  671   2HB   PRO  91          1HB       PRO  91 -14.774  -2.916  -2.916
  672   1HG   PRO  91          2HG       PRO  91 -12.312  -2.085  -2.085
  673   2HG   PRO  91          1HG       PRO  91 -12.515  -3.144  -3.144
  674   1HD   PRO  91          2HD       PRO  91 -11.689  -0.473  -0.473
  675   2HD   PRO  91          1HD       PRO  91 -12.236  -1.431  -1.431
  676    HA   PRO  92           HA       PRO  92 -15.828   1.777   1.777
  677   1HB   PRO  92          2HB       PRO  92 -17.803   0.572   0.572
  678   2HB   PRO  92          1HB       PRO  92 -18.122   1.510   1.510
  679   1HG   PRO  92          2HG       PRO  92 -18.002  -1.434  -1.434
  680   2HG   PRO  92          1HG       PRO  92 -19.064  -0.470  -0.470
  681   1HD   PRO  92          2HD       PRO  92 -16.873  -1.847  -1.847
  682   2HD   PRO  92          1HD       PRO  92 -17.556  -0.417  -0.417
  683    H    ALA  93           H        ALA  93 -14.935  -1.514  -1.514
  684    HA   ALA  93           HA       ALA  93 -14.456  -1.524  -1.524
  685   1HB   ALA  93          1HB       ALA  93 -14.376  -3.362  -3.362
  686   2HB   ALA  93          3HB       ALA  93 -13.103  -3.657  -3.657
  687   3HB   ALA  93          2HB       ALA  93 -14.797  -3.693  -3.693
  688    H    LEU  94           H        LEU  94 -12.947  -0.064  -0.064
  689    HA   LEU  94           HA       LEU  94 -10.238  -0.364  -0.364
  690   1HB   LEU  94          2HB       LEU  94 -11.286  -0.071  -0.071
  691   2HB   LEU  94          1HB       LEU  94  -9.669   0.522   0.522
  692    HG   LEU  94           HG       LEU  94  -9.497  -1.752  -1.752
  693   1HD1  LEU  94          1HD1      LEU  94  -9.100  -1.619  -1.619
  694   2HD1  LEU  94          3HD1      LEU  94  -8.422  -2.852  -2.852
  695   3HD1  LEU  94          2HD1      LEU  94  -7.930  -1.168  -1.168
  696   1HD2  LEU  94          1HD2      LEU  94 -11.122  -3.248  -3.248
  697   2HD2  LEU  94          3HD2      LEU  94 -10.740  -3.248  -3.248
  698   3HD2  LEU  94          2HD2      LEU  94 -11.925  -2.113  -2.113
  699    H    VAL  95           H        VAL  95 -12.824   1.784   1.784
  700    HA   VAL  95           HA       VAL  95 -11.059   4.189   4.189
  701    HB   VAL  95           HB       VAL  95 -12.947   3.808   3.808
  702   1HG1  VAL  95          3HG1      VAL  95 -14.426   3.003   3.003
  703   2HG1  VAL  95          2HG1      VAL  95 -14.814   4.721   4.721
  704   3HG1  VAL  95          1HG1      VAL  95 -15.160   3.817   3.817
  705   1HG2  VAL  95          3HG2      VAL  95 -11.914   6.070   6.070
  706   2HG2  VAL  95          2HG2      VAL  95 -13.380   6.100   6.100
  707   3HG2  VAL  95          1HG2      VAL  95 -13.486   6.271   6.271
  708    HA   PRO  96           HA       PRO  96 -12.061   4.407   4.407
  709   1HB   PRO  96          2HB       PRO  96 -10.697   6.731   6.731
  710   2HB   PRO  96          1HB       PRO  96  -9.895   5.153   5.153
  711   1HG   PRO  96          2HG       PRO  96 -10.143   7.341   7.341
  712   2HG   PRO  96          1HG       PRO  96  -8.769   6.281   6.281
  713   1HD   PRO  96          2HD       PRO  96 -10.433   5.924   5.924
  714   2HD   PRO  96          1HD       PRO  96  -9.566   4.590   4.590
  715    HA   PRO  97           HA       PRO  97 -15.474   7.171   7.171
  716   1HB   PRO  97          2HB       PRO  97 -15.907   7.574   7.574
  717   2HB   PRO  97          1HB       PRO  97 -16.316   6.058   6.058
  718   1HG   PRO  97          2HG       PRO  97 -13.965   6.708   6.708
  719   2HG   PRO  97          1HG       PRO  97 -14.907   5.213   5.213
  720   1HD   PRO  97          2HD       PRO  97 -12.474   5.546   5.546
  721   2HD   PRO  97          1HD       PRO  97 -13.721   4.433   4.433
  722    H    SER  98           H        SER  98 -12.519   8.096   8.096
  723    HA   SER  98           HA       SER  98 -13.313  10.828  10.828
  724   1HB   SER  98          2HB       SER  98 -11.163   9.073   9.073
  725   2HB   SER  98          1HB       SER  98 -10.469  10.417  10.417
  726    HG   SER  98           HG       SER  98 -11.815  11.724  11.724
  727    H    LYS  99           H        LYS  99 -12.544   9.184   9.184
  728    HA   LYS  99           HA       LYS  99 -11.646  11.686  11.686
  729   1HB   LYS  99          2HB       LYS  99 -11.645   8.737   8.737
  730   2HB   LYS  99          1HB       LYS  99 -11.163   9.996   9.996
  731   1HG   LYS  99          2HG       LYS  99  -9.598  10.794  10.794
  732   2HG   LYS  99          1HG       LYS  99  -9.832   9.164   9.164
  733   1HD   LYS  99          2HD       LYS  99  -8.556   8.224   8.224
  734   2HD   LYS  99          1HD       LYS  99  -9.212   9.280   9.280
  735   1HE   LYS  99          2HE       LYS  99  -7.332  10.381  10.381
  736   2HE   LYS  99          1HE       LYS  99  -6.710   9.596   9.596
  737   1HZ   LYS  99          1HZ       LYS  99  -8.902  11.491  11.491
  738   2HZ   LYS  99          3HZ       LYS  99  -7.386  12.150  12.150
  739   3HZ   LYS  99          2HZ       LYS  99  -7.568  11.187  11.187
  740    H    ARG 100           H        ARG 100 -14.511  10.398  10.398
  741    HA   ARG 100           HA       ARG 100 -15.896  10.256  10.256
  742   1HB   ARG 100          2HB       ARG 100 -16.727  10.531  10.531
  743   2HB   ARG 100          1HB       ARG 100 -17.899  10.385  10.385
  744   1HG   ARG 100          2HG       ARG 100 -15.772   8.386   8.386
  745   2HG   ARG 100          1HG       ARG 100 -16.685   8.268   8.268
  746   1HD   ARG 100          2HD       ARG 100 -18.438   7.349   7.349
  747   2HD   ARG 100          1HD       ARG 100 -18.494   8.722   8.722
  748    HE   ARG 100           HE       ARG 100 -16.331   6.754   6.754
  749   1HH1  ARG 100          1HH2      ARG 100 -19.245   5.755   5.755
  750   2HH1  ARG 100          2HH2      ARG 100 -19.390   6.008   6.008
  751   1HH2  ARG 100          2HH1      ARG 100 -16.594   8.050   8.050
  752   2HH2  ARG 100          1HH1      ARG 100 -17.888   7.306   7.306

  Start of MODEL   13
    1    HA   PRO   6           HA       PRO   6 -13.620  -1.969  -1.969
    2   1HB   PRO   6          2HB       PRO   6 -11.363  -3.500  -3.500
    3   2HB   PRO   6          1HB       PRO   6 -12.542  -3.654  -3.654
    4   1HG   PRO   6          2HG       PRO   6 -12.146  -5.365  -5.365
    5   2HG   PRO   6          1HG       PRO   6 -12.608  -5.815  -5.815
    6   1HD   PRO   6          2HD       PRO   6 -14.364  -5.615  -5.615
    7   2HD   PRO   6          1HD       PRO   6 -14.824  -5.471  -5.471
    8    H    TRP   7           H        TRP   7 -11.075  -1.659  -1.659
    9    HA   TRP   7           HA       TRP   7 -11.495  -0.706  -0.706
   10   1HB   TRP   7          2HB       TRP   7 -10.336   0.603   0.603
   11   2HB   TRP   7          1HB       TRP   7  -9.124  -0.667  -0.667
   12    HD1  TRP   7           HD1      TRP   7 -10.270  -0.051  -0.051
   13    HE1  TRP   7           HE1      TRP   7  -8.440   1.202   1.202
   14    HE3  TRP   7           HE3      TRP   7  -7.151   1.240   1.240
   15    HZ2  TRP   7           HZ2      TRP   7  -5.980   2.574   2.574
   16    HZ3  TRP   7           HZ3      TRP   7  -5.075   2.518   2.518
   17    HH2  TRP   7           HH2      TRP   7  -4.485   3.186   3.186
   18    H    ALA   8           H        ALA   8 -10.856  -1.848  -1.848
   19    HA   ALA   8           HA       ALA   8 -10.096  -4.489  -4.489
   20   1HB   ALA   8          1HB       ALA   8  -9.631  -2.046  -2.046
   21   2HB   ALA   8          3HB       ALA   8  -8.712  -3.485  -3.485
   22   3HB   ALA   8          2HB       ALA   8 -10.475  -3.536  -3.536
   23    H    VAL   9           H        VAL   9  -8.010  -1.746  -1.746
   24    HA   VAL   9           HA       VAL   9  -5.582  -3.436  -3.436
   25    HB   VAL   9           HB       VAL   9  -6.180  -0.516  -0.516
   26   1HG1  VAL   9          3HG1      VAL   9  -3.827  -2.147  -2.147
   27   2HG1  VAL   9          2HG1      VAL   9  -3.445  -0.782  -0.782
   28   3HG1  VAL   9          1HG1      VAL   9  -4.217  -0.504  -0.504
   29   1HG2  VAL   9          3HG2      VAL   9  -6.302  -1.433  -1.433
   30   2HG2  VAL   9          2HG2      VAL   9  -5.149  -0.121  -0.121
   31   3HG2  VAL   9          1HG2      VAL   9  -4.579  -1.788  -1.788
   32    H    LYS  10           H        LYS  10  -4.347  -3.778  -3.778
   33    HA   LYS  10           HA       LYS  10  -6.032  -3.827  -3.827
   34   1HB   LYS  10          2HB       LYS  10  -3.313  -5.065  -5.065
   35   2HB   LYS  10          1HB       LYS  10  -4.506  -5.556  -5.556
   36   1HG   LYS  10          2HG       LYS  10  -5.698  -5.586  -5.586
   37   2HG   LYS  10          1HG       LYS  10  -4.223  -6.551  -6.551
   38   1HD   LYS  10          2HD       LYS  10  -5.021  -7.809  -7.809
   39   2HD   LYS  10          1HD       LYS  10  -6.476  -6.812  -6.812
   40   1HE   LYS  10          2HE       LYS  10  -6.987  -7.577  -7.577
   41   2HE   LYS  10          1HE       LYS  10  -5.678  -8.761  -8.761
   42   1HZ   LYS  10          3HZ       LYS  10  -7.767  -8.466  -8.466
   43   2HZ   LYS  10          2HZ       LYS  10  -8.032  -9.451  -9.451
   44   3HZ   LYS  10          1HZ       LYS  10  -6.748  -9.789  -9.789
   45    HA   PRO  11           HA       PRO  11  -3.734  -0.704  -0.704
   46   1HB   PRO  11          2HB       PRO  11  -3.193  -1.822  -1.822
   47   2HB   PRO  11          1HB       PRO  11  -4.804  -1.234  -1.234
   48   1HG   PRO  11          2HG       PRO  11  -3.729  -4.018  -4.018
   49   2HG   PRO  11          1HG       PRO  11  -5.315  -3.427  -3.427
   50   1HD   PRO  11          2HD       PRO  11  -4.962  -4.611  -4.611
   51   2HD   PRO  11          1HD       PRO  11  -6.130  -3.292  -3.292
   52    H    GLU  12           H        GLU  12  -2.351  -3.951  -3.951
   53    HA   GLU  12           HA       GLU  12   0.374  -3.065  -3.065
   54   1HB   GLU  12          2HB       GLU  12   0.867  -5.437  -5.437
   55   2HB   GLU  12          1HB       GLU  12  -0.566  -5.304  -5.304
   56   1HG   GLU  12          2HG       GLU  12  -1.713  -5.207  -5.207
   57   2HG   GLU  12          1HG       GLU  12  -0.321  -6.235  -6.235
   58    H    ASP  13           H        ASP  13  -1.632  -3.458  -3.458
   59    HA   ASP  13           HA       ASP  13   0.600  -3.464  -3.464
   60   1HB   ASP  13          2HB       ASP  13  -2.392  -3.550  -3.550
   61   2HB   ASP  13          1HB       ASP  13  -1.589  -3.004  -3.004
   62    H    LYS  14           H        LYS  14  -1.819  -1.219  -1.219
   63    HA   LYS  14           HA       LYS  14  -1.168   1.027   1.027
   64   1HB   LYS  14          2HB       LYS  14  -3.229   0.972   0.972
   65   2HB   LYS  14          1HB       LYS  14  -2.403   0.638   0.638
   66   1HG   LYS  14          2HG       LYS  14  -2.948   2.936   2.936
   67   2HG   LYS  14          1HG       LYS  14  -1.249   2.924   2.924
   68   1HD   LYS  14          2HD       LYS  14  -2.353   2.873   2.873
   69   2HD   LYS  14          1HD       LYS  14  -3.651   3.695   3.695
   70   1HE   LYS  14          2HE       LYS  14  -0.744   4.564   4.564
   71   2HE   LYS  14          1HE       LYS  14  -1.939   5.282   5.282
   72   1HZ   LYS  14          3HZ       LYS  14  -2.639   4.953   4.953
   73   2HZ   LYS  14          2HZ       LYS  14  -1.611   6.236   6.236
   74   3HZ   LYS  14          1HZ       LYS  14  -3.165   6.124   6.124
   75    H    ALA  15           H        ALA  15   0.379  -0.470  -0.470
   76    HA   ALA  15           HA       ALA  15   1.936   1.844   1.844
   77   1HB   ALA  15          3HB       ALA  15   1.303  -0.747  -0.747
   78   2HB   ALA  15          2HB       ALA  15   3.039  -0.792  -0.792
   79   3HB   ALA  15          1HB       ALA  15   2.372   0.400   0.400
   80    H    LYS  16           H        LYS  16   2.510  -1.039  -1.039
   81    HA   LYS  16           HA       LYS  16   5.222  -0.171  -0.171
   82   1HB   LYS  16          2HB       LYS  16   5.370  -2.311  -2.311
   83   2HB   LYS  16          1HB       LYS  16   3.874  -2.551  -2.551
   84   1HG   LYS  16          2HG       LYS  16   2.546  -2.182  -2.182
   85   2HG   LYS  16          1HG       LYS  16   3.960  -1.660  -1.660
   86   1HD   LYS  16          2HD       LYS  16   3.843  -3.861  -3.861
   87   2HD   LYS  16          1HD       LYS  16   4.871  -4.056  -4.056
   88   1HE   LYS  16          2HE       LYS  16   3.062  -4.841  -4.841
   89   2HE   LYS  16          1HE       LYS  16   1.853  -4.275  -4.275
   90   1HZ   LYS  16          1HZ       LYS  16   2.824  -5.794  -5.794
   91   2HZ   LYS  16          3HZ       LYS  16   3.894  -6.385  -6.385
   92   3HZ   LYS  16          2HZ       LYS  16   2.222  -6.633  -6.633
   93    H    TYR  17           H        TYR  17   1.974   0.258   0.258
   94    HA   TYR  17           HA       TYR  17   2.654   1.151   1.151
   95   1HB   TYR  17          2HB       TYR  17   0.236   1.474   1.474
   96   2HB   TYR  17          1HB       TYR  17   0.263   2.002   2.002
   97    HD1  TYR  17           HD1      TYR  17   2.301  -0.885  -0.885
   98    HD2  TYR  17           HD2      TYR  17  -1.785   0.365   0.365
   99    HE1  TYR  17           HE1      TYR  17   1.676  -3.172  -3.172
  100    HE2  TYR  17           HE2      TYR  17  -2.414  -1.925  -1.925
  101    HH   TYR  17           HH       TYR  17  -0.241  -4.198  -4.198
  102    H    ASP  18           H        ASP  18   2.166   2.576   2.576
  103    HA   ASP  18           HA       ASP  18   2.336   5.355   5.355
  104   1HB   ASP  18          2HB       ASP  18   1.079   4.422   4.422
  105   2HB   ASP  18          1HB       ASP  18   2.645   4.166   4.166
  106    H    ALA  19           H        ALA  19   4.587   2.875   2.875
  107    HA   ALA  19           HA       ALA  19   6.786   4.718   4.718
  108   1HB   ALA  19          2HB       ALA  19   6.183   2.196   2.196
  109   2HB   ALA  19          1HB       ALA  19   7.180   1.830   1.830
  110   3HB   ALA  19          3HB       ALA  19   7.849   2.770   2.770
  111    H    ILE  20           H        ILE  20   5.612   2.662   2.662
  112    HA   ILE  20           HA       ILE  20   7.811   3.186   3.186
  113    HB   ILE  20           HB       ILE  20   5.008   2.037   2.037
  114   1HG1  ILE  20          2HG1      ILE  20   7.562   0.582   0.582
  115   2HG1  ILE  20          1HG1      ILE  20   7.113   0.858   0.858
  116   1HG2  ILE  20          1HG2      ILE  20   5.731   3.191   3.191
  117   2HG2  ILE  20          3HG2      ILE  20   7.034   2.010   2.010
  118   3HG2  ILE  20          2HG2      ILE  20   5.353   1.477   1.477
  119   1HD1  ILE  20          3HD1      ILE  20   4.882  -0.172  -0.172
  120   2HD1  ILE  20          2HD1      ILE  20   5.433  -0.540  -0.540
  121   3HD1  ILE  20          1HD1      ILE  20   6.218  -1.296  -1.296
  122    H    PHE  21           H        PHE  21   4.766   4.597   4.597
  123    HA   PHE  21           HA       PHE  21   4.458   6.349   6.349
  124   1HB   PHE  21          2HB       PHE  21   2.435   6.005   6.005
  125   2HB   PHE  21          1HB       PHE  21   3.191   5.778   5.778
  126    HD1  PHE  21           HD2      PHE  21   4.125   7.854   7.854
  127    HD2  PHE  21           HD1      PHE  21   1.418   8.069   8.069
  128    HE1  PHE  21           HE2      PHE  21   3.537  10.179  10.179
  129    HE2  PHE  21           HE1      PHE  21   0.830  10.396  10.396
  130    HZ   PHE  21           HZ       PHE  21   1.890  11.450  11.450
  131    H    ASP  22           H        ASP  22   5.844   6.554   6.554
  132    HA   ASP  22           HA       ASP  22   6.606   9.389   9.389
  133   1HB   ASP  22          2HB       ASP  22   5.827   8.795   8.795
  134   2HB   ASP  22          1HB       ASP  22   6.772   7.305   7.305
  135    H    SER  23           H        SER  23   7.821   6.518   6.518
  136    HA   SER  23           HA       SER  23  10.684   7.128   7.128
  137   1HB   SER  23          2HB       SER  23   9.023   4.850   4.850
  138   2HB   SER  23          1HB       SER  23  10.689   4.938   4.938
  139    HG   SER  23           HG       SER  23  11.033   5.366   5.366
  140    H    LEU  24           H        LEU  24   8.318   8.075   8.075
  141    HA   LEU  24           HA       LEU  24  10.181   8.400   8.400
  142   1HB   LEU  24          2HB       LEU  24   7.288   8.899   8.899
  143   2HB   LEU  24          1HB       LEU  24   8.375   7.953   7.953
  144    HG   LEU  24           HG       LEU  24   7.245   7.030   7.030
  145   1HD1  LEU  24          2HD1      LEU  24   5.911   7.280   7.280
  146   2HD1  LEU  24          1HD1      LEU  24   6.418   5.591   5.591
  147   3HD1  LEU  24          3HD1      LEU  24   5.429   6.242   6.242
  148   1HD2  LEU  24          1HD2      LEU  24   9.289   6.023   6.023
  149   2HD2  LEU  24          3HD2      LEU  24   8.951   5.545   5.545
  150   3HD2  LEU  24          2HD2      LEU  24   8.028   4.838   4.838
  151    H    SER  25           H        SER  25   8.884   9.981   9.981
  152    HA   SER  25           HA       SER  25   9.050  12.288  12.288
  153   1HB   SER  25          2HB       SER  25   9.338  12.986  12.986
  154   2HB   SER  25          1HB       SER  25  10.056  13.768  13.768
  155    HG   SER  25           HG       SER  25  11.082  11.509  11.509
  156    HA   PRO  26           HA       PRO  26   4.675  12.384  12.384
  157   1HB   PRO  26          2HB       PRO  26   3.741  12.948  12.948
  158   2HB   PRO  26          1HB       PRO  26   4.110  11.299  11.299
  159   1HG   PRO  26          2HG       PRO  26   5.689  13.120  13.120
  160   2HG   PRO  26          1HG       PRO  26   5.495  11.363  11.363
  161   1HD   PRO  26          2HD       PRO  26   7.703  12.629  12.629
  162   2HD   PRO  26          1HD       PRO  26   7.201  10.979  10.979
  163    H    VAL  27           H        VAL  27   3.381  14.201  14.201
  164    HA   VAL  27           HA       VAL  27   4.523  16.835  16.835
  165    HB   VAL  27           HB       VAL  27   3.086  15.996  15.996
  166   1HG1  VAL  27          3HG1      VAL  27   2.540  18.316  18.316
  167   2HG1  VAL  27          2HG1      VAL  27   4.265  18.685  18.685
  168   3HG1  VAL  27          1HG1      VAL  27   3.487  18.286  18.286
  169   1HG2  VAL  27          2HG2      VAL  27   5.623  15.440  15.440
  170   2HG2  VAL  27          1HG2      VAL  27   5.159  16.045  16.045
  171   3HG2  VAL  27          3HG2      VAL  27   5.857  17.141  17.141
  172    H    ASN  28           H        ASN  28   3.150  17.529  17.529
  173    HA   ASN  28           HA       ASN  28   1.129  18.118  18.118
  174   1HB   ASN  28          2HB       ASN  28   0.920  19.483  19.483
  175   2HB   ASN  28          1HB       ASN  28   0.301  18.101  18.101
  176   1HD2  ASN  28          1HD2      ASN  28  -1.925  17.493  17.493
  177   2HD2  ASN  28          2HD2      ASN  28  -2.996  18.414  18.414
  178    H    GLY  29           H        GLY  29   1.791  15.211  15.211
  179   1HA   GLY  29          2HA       GLY  29   0.653  13.247  13.247
  180   2HA   GLY  29          1HA       GLY  29  -0.877  14.122  14.122
  181    H    PHE  30           H        PHE  30   1.552  13.987  13.987
  182    HA   PHE  30           HA       PHE  30  -0.090  12.075  12.075
  183   1HB   PHE  30          2HB       PHE  30   0.395  14.979  14.979
  184   2HB   PHE  30          1HB       PHE  30  -0.196  13.786  13.786
  185    HD1  PHE  30           HD2      PHE  30  -2.337  12.608  12.608
  186    HD2  PHE  30           HD1      PHE  30  -1.025  15.860  15.860
  187    HE1  PHE  30           HE2      PHE  30  -4.642  12.859  12.859
  188    HE2  PHE  30           HE1      PHE  30  -3.315  16.113  16.113
  189    HZ   PHE  30           HZ       PHE  30  -5.133  14.614  14.614
  190    H    LEU  31           H        LEU  31   1.032  11.206  11.206
  191    HA   LEU  31           HA       LEU  31   3.944  11.939  11.939
  192   1HB   LEU  31          2HB       LEU  31   2.510   9.284   9.284
  193   2HB   LEU  31          1HB       LEU  31   4.107   9.460   9.460
  194    HG   LEU  31           HG       LEU  31   3.507  10.343  10.343
  195   1HD1  LEU  31          2HD1      LEU  31   3.587   7.688   7.688
  196   2HD1  LEU  31          1HD1      LEU  31   5.136   7.969   7.969
  197   3HD1  LEU  31          3HD1      LEU  31   3.631   8.211   8.211
  198   1HD2  LEU  31          1HD2      LEU  31   5.907  10.126  10.126
  199   2HD2  LEU  31          3HD2      LEU  31   5.496  11.369  11.369
  200   3HD2  LEU  31          2HD2      LEU  31   6.123   9.808   9.808
  201    H    SER  32           H        SER  32   4.498  12.603  12.603
  202    HA   SER  32           HA       SER  32   2.506  12.591  12.591
  203   1HB   SER  32          2HB       SER  32   5.208  13.319  13.319
  204   2HB   SER  32          1HB       SER  32   3.767  14.328  14.328
  205    HG   SER  32           HG       SER  32   5.659  14.740  14.740
  206    H    GLY  33           H        GLY  33   2.439  11.269  11.269
  207   1HA   GLY  33          2HA       GLY  33   3.372   8.692   8.692
  208   2HA   GLY  33          1HA       GLY  33   3.177   9.641   9.641
  209    H    ASP  34           H        ASP  34   5.245  11.584  11.584
  210    HA   ASP  34           HA       ASP  34   7.524  10.521  10.521
  211   1HB   ASP  34          2HB       ASP  34   7.064  12.909  12.909
  212   2HB   ASP  34          1HB       ASP  34   7.328  12.607  12.607
  213    H    LYS  35           H        LYS  35   6.381  10.022  10.022
  214    HA   LYS  35           HA       LYS  35   8.952   8.681   8.681
  215   1HB   LYS  35          2HB       LYS  35   6.711   9.568   9.568
  216   2HB   LYS  35          1HB       LYS  35   8.402   9.273   9.273
  217   1HG   LYS  35          2HG       LYS  35   9.097  11.189  11.189
  218   2HG   LYS  35          1HG       LYS  35   7.428  11.464  11.464
  219   1HD   LYS  35          2HD       LYS  35   7.094  11.466  11.466
  220   2HD   LYS  35          1HD       LYS  35   8.753  12.061  12.061
  221   1HE   LYS  35          2HE       LYS  35   6.760  13.271  13.271
  222   2HE   LYS  35          1HE       LYS  35   6.699  13.755  13.755
  223   1HZ   LYS  35          1HZ       LYS  35   9.222  13.943  13.943
  224   2HZ   LYS  35          3HZ       LYS  35   8.965  13.951  13.951
  225   3HZ   LYS  35          2HZ       LYS  35   8.286  15.171  15.171
  226    H    VAL  36           H        VAL  36   5.428   8.419   8.419
  227    HA   VAL  36           HA       VAL  36   5.417   5.677   5.677
  228    HB   VAL  36           HB       VAL  36   3.342   7.435   7.435
  229   1HG1  VAL  36          3HG1      VAL  36   3.040   4.842   4.842
  230   2HG1  VAL  36          2HG1      VAL  36   2.754   5.064   5.064
  231   3HG1  VAL  36          1HG1      VAL  36   1.707   5.859   5.859
  232   1HG2  VAL  36          1HG2      VAL  36   3.938   6.820   6.820
  233   2HG2  VAL  36          3HG2      VAL  36   4.190   8.365   8.365
  234   3HG2  VAL  36          2HG2      VAL  36   2.553   7.754   7.754
  235    H    LYS  37           H        LYS  37   5.117   7.276   7.276
  236    HA   LYS  37           HA       LYS  37   4.261   5.165   5.165
  237   1HB   LYS  37          2HB       LYS  37   4.655   7.470   7.470
  238   2HB   LYS  37          1HB       LYS  37   6.391   7.256   7.256
  239   1HG   LYS  37          2HG       LYS  37   6.455   5.557   5.557
  240   2HG   LYS  37          1HG       LYS  37   4.695   5.571   5.571
  241   1HD   LYS  37          2HD       LYS  37   4.867   7.190   7.190
  242   2HD   LYS  37          1HD       LYS  37   5.530   8.254   8.254
  243   1HE   LYS  37          2HE       LYS  37   7.739   6.770   6.770
  244   2HE   LYS  37          1HE       LYS  37   6.934   6.791   6.791
  245   1HZ   LYS  37          1HZ       LYS  37   6.638   9.194   9.194
  246   2HZ   LYS  37          3HZ       LYS  37   7.487   9.158   9.158
  247   3HZ   LYS  37          2HZ       LYS  37   8.283   8.770   8.770
  248    HA   PRO  38           HA       PRO  38   8.792   3.592   3.592
  249   1HB   PRO  38          2HB       PRO  38  10.497   4.345   4.345
  250   2HB   PRO  38          1HB       PRO  38  10.364   5.233   5.233
  251   1HG   PRO  38          2HG       PRO  38   9.117   5.823   5.823
  252   2HG   PRO  38          1HG       PRO  38   9.873   6.932   6.932
  253   1HD   PRO  38          2HD       PRO  38   7.212   6.697   6.697
  254   2HD   PRO  38          1HD       PRO  38   8.014   6.999   6.999
  255    H    VAL  39           H        VAL  39   7.319   4.241   4.241
  256    HA   VAL  39           HA       VAL  39   8.191   1.833   1.833
  257    HB   VAL  39           HB       VAL  39   6.195   4.052   4.052
  258   1HG1  VAL  39          2HG1      VAL  39   6.102   1.380   1.380
  259   2HG1  VAL  39          1HG1      VAL  39   5.956   2.764   2.764
  260   3HG1  VAL  39          3HG1      VAL  39   4.815   2.562   2.562
  261   1HG2  VAL  39          1HG2      VAL  39   8.627   4.284   4.284
  262   2HG2  VAL  39          3HG2      VAL  39   7.538   4.544   4.544
  263   3HG2  VAL  39          2HG2      VAL  39   8.406   3.015   3.015
  264    H    LEU  40           H        LEU  40   5.831   2.455   2.455
  265    HA   LEU  40           HA       LEU  40   4.223   0.067   0.067
  266   1HB   LEU  40          2HB       LEU  40   3.915   2.221   2.221
  267   2HB   LEU  40          1HB       LEU  40   2.759   0.920   0.920
  268    HG   LEU  40           HG       LEU  40   3.562   3.004   3.004
  269   1HD1  LEU  40          3HD1      LEU  40   1.387   2.749   2.749
  270   2HD1  LEU  40          2HD1      LEU  40   0.863   3.193   3.193
  271   3HD1  LEU  40          1HD1      LEU  40   2.040   4.195   4.195
  272   1HD2  LEU  40          3HD2      LEU  40   2.150   0.418   0.418
  273   2HD2  LEU  40          2HD2      LEU  40   2.938   1.365   1.365
  274   3HD2  LEU  40          1HD2      LEU  40   1.300   1.772   1.772
  275    H    LEU  41           H        LEU  41   6.810   1.048   1.048
  276    HA   LEU  41           HA       LEU  41   6.409  -0.999  -0.999
  277   1HB   LEU  41          2HB       LEU  41   8.675   0.912   0.912
  278   2HB   LEU  41          1HB       LEU  41   8.494   0.002   0.002
  279    HG   LEU  41           HG       LEU  41   6.297   1.807   1.807
  280   1HD1  LEU  41          1HD1      LEU  41   8.863   2.708   2.708
  281   2HD1  LEU  41          3HD1      LEU  41   8.020   2.924   2.924
  282   3HD1  LEU  41          2HD1      LEU  41   7.393   3.681   3.681
  283   1HD2  LEU  41          2HD2      LEU  41   6.403  -0.015  -0.015
  284   2HD2  LEU  41          1HD2      LEU  41   5.394   1.430   1.430
  285   3HD2  LEU  41          3HD2      LEU  41   6.969   1.420   1.420
  286    H    ASN  42           H        ASN  42   8.612  -0.347  -0.347
  287    HA   ASN  42           HA       ASN  42  10.385  -2.502  -2.502
  288   1HB   ASN  42          2HB       ASN  42  10.888  -2.135  -2.135
  289   2HB   ASN  42          1HB       ASN  42  10.295  -0.579  -0.579
  290   1HD2  ASN  42          1HD2      ASN  42   7.543  -0.865  -0.865
  291   2HD2  ASN  42          2HD2      ASN  42   6.997  -1.225  -1.225
  292    H    SER  43           H        SER  43   7.019  -2.522  -2.522
  293    HA   SER  43           HA       SER  43   6.799  -5.021  -5.021
  294   1HB   SER  43          2HB       SER  43   4.697  -4.072  -4.072
  295   2HB   SER  43          1HB       SER  43   4.539  -4.589  -4.589
  296    HG   SER  43           HG       SER  43   4.342  -2.250  -2.250
  297    H    LYS  44           H        LYS  44   7.724  -4.374  -4.374
  298    HA   LYS  44           HA       LYS  44   8.223  -5.862  -5.862
  299   1HB   LYS  44          2HB       LYS  44   8.914  -7.841  -7.841
  300   2HB   LYS  44          1HB       LYS  44   8.211  -7.357  -7.357
  301   1HG   LYS  44          2HG       LYS  44   6.051  -8.369  -8.369
  302   2HG   LYS  44          1HG       LYS  44   6.781  -8.881  -8.881
  303   1HD   LYS  44          2HD       LYS  44   6.801 -10.729 -10.729
  304   2HD   LYS  44          1HD       LYS  44   8.448 -10.214 -10.214
  305   1HE   LYS  44          2HE       LYS  44   8.824  -9.548  -9.548
  306   2HE   LYS  44          1HE       LYS  44   7.249  -8.738  -8.738
  307   1HZ   LYS  44          3HZ       LYS  44   6.188 -10.900 -10.900
  308   2HZ   LYS  44          2HZ       LYS  44   7.698 -11.673 -11.673
  309   3HZ   LYS  44          1HZ       LYS  44   7.316 -10.678 -10.678
  310    H    LEU  45           H        LEU  45   5.306  -4.960  -4.960
  311    HA   LEU  45           HA       LEU  45   3.603  -6.775  -6.775
  312   1HB   LEU  45          2HB       LEU  45   3.296  -4.459  -4.459
  313   2HB   LEU  45          1HB       LEU  45   1.953  -4.863  -4.863
  314    HG   LEU  45           HG       LEU  45   3.339  -6.909  -6.909
  315   1HD1  LEU  45          1HD1      LEU  45   2.183  -4.970  -4.970
  316   2HD1  LEU  45          3HD1      LEU  45   0.677  -5.608  -5.608
  317   3HD1  LEU  45          2HD1      LEU  45   1.663  -6.604  -6.604
  318   1HD2  LEU  45          3HD2      LEU  45   1.865  -7.406  -7.406
  319   2HD2  LEU  45          2HD2      LEU  45   1.656  -8.369  -8.369
  320   3HD2  LEU  45          1HD2      LEU  45   0.529  -7.063  -7.063
  321    HA   PRO  46           HA       PRO  46   3.634  -4.287  -4.287
  322   1HB   PRO  46          2HB       PRO  46   1.067  -4.627  -4.627
  323   2HB   PRO  46          1HB       PRO  46   2.313  -5.885  -5.885
  324   1HG   PRO  46          2HG       PRO  46   0.074  -5.606  -5.606
  325   2HG   PRO  46          1HG       PRO  46   0.783  -7.061  -7.061
  326   1HD   PRO  46          2HD       PRO  46   1.302  -6.185  -6.185
  327   2HD   PRO  46          1HD       PRO  46   2.390  -7.221  -7.221
  328    H    VAL  47           H        VAL  47   2.963  -2.200  -2.200
  329    HA   VAL  47           HA       VAL  47   2.279  -0.243  -0.243
  330    HB   VAL  47           HB       VAL  47   2.209  -0.473  -0.473
  331   1HG1  VAL  47          1HG1      VAL  47   1.380   1.953   1.953
  332   2HG1  VAL  47          3HG1      VAL  47   1.723   1.972   1.972
  333   3HG1  VAL  47          2HG1      VAL  47   0.357   1.042   1.042
  334   1HG2  VAL  47          1HG2      VAL  47   3.974   0.575   0.575
  335   2HG2  VAL  47          3HG2      VAL  47   4.383  -0.031  -0.031
  336   3HG2  VAL  47          2HG2      VAL  47   3.819   1.629   1.629
  337    H    ASP  48           H        ASP  48   0.167  -2.528  -2.528
  338    HA   ASP  48           HA       ASP  48  -2.257  -0.965  -0.965
  339   1HB   ASP  48          2HB       ASP  48  -1.329  -3.677  -3.677
  340   2HB   ASP  48          1HB       ASP  48  -2.880  -3.649  -3.649
  341    H    ILE  49           H        ILE  49  -0.639  -3.141  -3.141
  342    HA   ILE  49           HA       ILE  49  -2.672  -3.081  -3.081
  343    HB   ILE  49           HB       ILE  49   0.304  -3.356  -3.356
  344   1HG1  ILE  49          2HG1      ILE  49   0.007  -4.771  -4.771
  345   2HG1  ILE  49          1HG1      ILE  49  -0.167  -5.850  -5.850
  346   1HG2  ILE  49          2HG2      ILE  49  -2.055  -3.772  -3.772
  347   2HG2  ILE  49          1HG2      ILE  49  -1.256  -5.327  -5.327
  348   3HG2  ILE  49          3HG2      ILE  49  -0.371  -3.978  -3.978
  349   1HD1  ILE  49          2HD1      ILE  49  -2.504  -4.539  -4.539
  350   2HD1  ILE  49          1HD1      ILE  49  -1.928  -6.168  -6.168
  351   3HD1  ILE  49          3HD1      ILE  49  -2.577  -5.785  -5.785
  352    H    LEU  50           H        LEU  50   0.331  -1.326  -1.326
  353    HA   LEU  50           HA       LEU  50   0.175   0.430   0.430
  354   1HB   LEU  50          2HB       LEU  50   1.406   1.094   1.094
  355   2HB   LEU  50          1HB       LEU  50   1.988   1.535   1.535
  356    HG   LEU  50           HG       LEU  50   2.142  -1.129  -1.129
  357   1HD1  LEU  50          2HD1      LEU  50   4.027   0.833   0.833
  358   2HD1  LEU  50          1HD1      LEU  50   4.499  -0.858  -0.858
  359   3HD1  LEU  50          3HD1      LEU  50   4.104   0.086   0.086
  360   1HD2  LEU  50          1HD2      LEU  50   1.158  -1.366  -1.366
  361   2HD2  LEU  50          3HD2      LEU  50   2.634  -2.266  -2.266
  362   3HD2  LEU  50          2HD2      LEU  50   2.703  -0.762  -0.762
  363    H    GLY  51           H        GLY  51  -1.474   0.355   0.355
  364   1HA   GLY  51          2HA       GLY  51  -2.281   3.193   3.193
  365   2HA   GLY  51          1HA       GLY  51  -2.768   2.050   2.050
  366    H    ARG  52           H        ARG  52  -3.477   0.011   0.011
  367    HA   ARG  52           HA       ARG  52  -6.193   1.029   1.029
  368   1HB   ARG  52          2HB       ARG  52  -5.021  -1.383  -1.383
  369   2HB   ARG  52          1HB       ARG  52  -5.611  -1.713  -1.713
  370   1HG   ARG  52          2HG       ARG  52  -7.818  -0.720  -0.720
  371   2HG   ARG  52          1HG       ARG  52  -7.212  -0.594  -0.594
  372   1HD   ARG  52          2HD       ARG  52  -6.736  -3.257  -3.257
  373   2HD   ARG  52          1HD       ARG  52  -8.461  -2.840  -2.840
  374    HE   ARG  52           HE       ARG  52  -7.817  -1.948  -1.948
  375   1HH1  ARG  52          1HH2      ARG  52  -9.044  -4.736  -4.736
  376   2HH1  ARG  52          2HH2      ARG  52  -8.107  -5.760  -5.760
  377   1HH2  ARG  52          2HH1      ARG  52  -5.748  -3.325  -3.325
  378   2HH2  ARG  52          1HH1      ARG  52  -6.242  -4.963  -4.963
  379    H    VAL  53           H        VAL  53  -3.617  -0.832  -0.832
  380    HA   VAL  53           HA       VAL  53  -4.570  -0.753  -0.753
  381    HB   VAL  53           HB       VAL  53  -1.779  -0.458  -0.458
  382   1HG1  VAL  53          3HG1      VAL  53  -2.601  -0.011  -0.011
  383   2HG1  VAL  53          2HG1      VAL  53  -1.854  -1.609  -1.609
  384   3HG1  VAL  53          1HG1      VAL  53  -0.953  -0.205  -0.205
  385   1HG2  VAL  53          1HG2      VAL  53  -3.219  -2.542  -2.542
  386   2HG2  VAL  53          3HG2      VAL  53  -1.633  -2.821  -2.821
  387   3HG2  VAL  53          2HG2      VAL  53  -3.080  -2.860  -2.860
  388    H    TRP  54           H        TRP  54  -2.713   1.764   1.764
  389    HA   TRP  54           HA       TRP  54  -2.579   3.639   3.639
  390   1HB   TRP  54          2HB       TRP  54  -1.128   3.895   3.895
  391   2HB   TRP  54          1HB       TRP  54  -2.478   3.841   3.841
  392    HD1  TRP  54           HD1      TRP  54  -4.259   5.951   5.951
  393    HE1  TRP  54           HE1      TRP  54  -3.767   8.439   8.439
  394    HE3  TRP  54           HE3      TRP  54   0.350   5.522   5.522
  395    HZ2  TRP  54           HZ2      TRP  54  -1.692  10.028  10.028
  396    HZ3  TRP  54           HZ3      TRP  54   1.563   7.534   7.534
  397    HH2  TRP  54           HH2      TRP  54   0.546   9.784   9.784
  398    H    GLU  55           H        GLU  55  -4.721   3.642   3.642
  399    HA   GLU  55           HA       GLU  55  -6.388   5.761   5.761
  400   1HB   GLU  55          2HB       GLU  55  -7.584   5.002   5.002
  401   2HB   GLU  55          1HB       GLU  55  -6.262   3.853   3.853
  402   1HG   GLU  55          2HG       GLU  55  -7.480   2.155   2.155
  403   2HG   GLU  55          1HG       GLU  55  -8.715   3.301   3.301
  404    H    LEU  56           H        LEU  56  -6.857   2.351   2.351
  405    HA   LEU  56           HA       LEU  56  -9.099   2.906   2.906
  406   1HB   LEU  56          2HB       LEU  56  -7.130   0.594   0.594
  407   2HB   LEU  56          1HB       LEU  56  -8.686   0.561   0.561
  408    HG   LEU  56           HG       LEU  56  -8.831   1.448   1.448
  409   1HD1  LEU  56          1HD1      LEU  56  -7.014  -0.439  -0.439
  410   2HD1  LEU  56          3HD1      LEU  56  -8.406  -1.493  -1.493
  411   3HD1  LEU  56          2HD1      LEU  56  -8.263  -0.568  -0.568
  412   1HD2  LEU  56          1HD2      LEU  56 -10.427   0.117   0.117
  413   2HD2  LEU  56          3HD2      LEU  56 -10.963   0.894   0.894
  414   3HD2  LEU  56          2HD2      LEU  56 -10.465  -0.797  -0.797
  415    H    SER  57           H        SER  57  -5.770   3.491   3.491
  416    HA   SER  57           HA       SER  57  -5.682   3.336   3.336
  417   1HB   SER  57          2HB       SER  57  -3.732   2.421   2.421
  418   2HB   SER  57          1HB       SER  57  -3.796   3.362   3.362
  419    HG   SER  57           HG       SER  57  -2.434   4.634   4.634
  420    H    ASP  58           H        ASP  58  -5.413   5.624   5.624
  421    HA   ASP  58           HA       ASP  58  -4.827   7.924   7.924
  422   1HB   ASP  58          2HB       ASP  58  -4.302   7.370   7.370
  423   2HB   ASP  58          1HB       ASP  58  -5.905   8.058   8.058
  424    H    ILE  59           H        ILE  59  -6.636   7.761   7.761
  425    HA   ILE  59           HA       ILE  59  -9.348   7.623   7.623
  426    HB   ILE  59           HB       ILE  59  -7.896   9.254   9.254
  427   1HG1  ILE  59          2HG1      ILE  59  -7.412   6.775   6.775
  428   2HG1  ILE  59          1HG1      ILE  59  -8.158   7.302   7.302
  429   1HG2  ILE  59          2HG2      ILE  59 -10.350   9.809   9.809
  430   2HG2  ILE  59          1HG2      ILE  59 -10.718   8.177   8.177
  431   3HG2  ILE  59          3HG2      ILE  59  -9.945   9.330   9.330
  432   1HD1  ILE  59          1HD1      ILE  59  -9.713   6.176   6.176
  433   2HD1  ILE  59          3HD1      ILE  59  -9.173   5.211   5.211
  434   3HD1  ILE  59          2HD1      ILE  59 -10.329   6.524   6.524
  435    H    ASP  60           H        ASP  60  -7.157  10.388  10.388
  436    HA   ASP  60           HA       ASP  60  -9.464  12.146  12.146
  437   1HB   ASP  60          2HB       ASP  60  -6.528  12.820  12.820
  438   2HB   ASP  60          1HB       ASP  60  -7.886  13.944  13.944
  439    H    HIS  61           H        HIS  61  -6.888  10.360  10.360
  440    HA   HIS  61           HA       HIS  61  -6.235  10.224  10.224
  441   1HB   HIS  61          2HB       HIS  61  -9.052  11.224  11.224
  442   2HB   HIS  61          1HB       HIS  61  -8.199  11.265  11.265
  443    HD1  HIS  61           HD1      HIS  61  -7.862   9.070   9.070
  444    HD2  HIS  61           HD2      HIS  61  -9.273   8.536   8.536
  445    HE1  HIS  61           HE1      HIS  61  -8.447   6.616   6.616
  446    H    ASP  62           H        ASP  62  -5.557  12.580  12.580
  447    HA   ASP  62           HA       ASP  62  -5.664  14.889  14.889
  448   1HB   ASP  62          2HB       ASP  62  -4.873  16.072  16.072
  449   2HB   ASP  62          1HB       ASP  62  -6.029  14.877  14.877
  450    H    GLY  63           H        GLY  63  -3.595  12.239  12.239
  451   1HA   GLY  63          2HA       GLY  63  -1.689  12.007  12.007
  452   2HA   GLY  63          1HA       GLY  63  -1.341  13.713  13.713
  453    H    MET  64           H        MET  64  -2.322  12.177  12.177
  454    HA   MET  64           HA       MET  64   0.405  11.320  11.320
  455   1HB   MET  64          2HB       MET  64  -0.978  13.256  13.256
  456   2HB   MET  64          1HB       MET  64   0.746  12.953  12.953
  457   1HG   MET  64          2HG       MET  64   0.559  14.002  14.002
  458   2HG   MET  64          1HG       MET  64  -1.079  14.485  14.485
  459   1HE   MET  64          3HE       MET  64   2.371  14.154  14.154
  460   2HE   MET  64          2HE       MET  64   2.866  15.815  15.815
  461   3HE   MET  64          1HE       MET  64   2.682  15.256  15.256
  462    H    LEU  65           H        LEU  65   0.442  10.138  10.138
  463    HA   LEU  65           HA       LEU  65  -2.250   9.034   9.034
  464   1HB   LEU  65          2HB       LEU  65   0.554   7.892   7.892
  465   2HB   LEU  65          1HB       LEU  65  -0.724   7.058   7.058
  466    HG   LEU  65           HG       LEU  65  -0.832   7.862   7.862
  467   1HD1  LEU  65          2HD1      LEU  65   0.690   5.902   5.902
  468   2HD1  LEU  65          1HD1      LEU  65  -0.831   5.058   5.058
  469   3HD1  LEU  65          3HD1      LEU  65  -0.415   5.606   5.606
  470   1HD2  LEU  65          1HD2      LEU  65  -2.765   6.423   6.423
  471   2HD2  LEU  65          3HD2      LEU  65  -3.039   7.923   7.923
  472   3HD2  LEU  65          2HD2      LEU  65  -2.905   6.400   6.400
  473    H    ASP  66           H        ASP  66  -2.801   9.796   9.796
  474    HA   ASP  66           HA       ASP  66  -0.821  10.856  10.856
  475   1HB   ASP  66          2HB       ASP  66  -2.947  11.894  11.894
  476   2HB   ASP  66          1HB       ASP  66  -3.792  10.352  10.352
  477    H    ARG  67           H        ARG  67  -0.946  10.024  10.024
  478    HA   ARG  67           HA       ARG  67   0.161   7.487   7.487
  479   1HB   ARG  67          2HB       ARG  67  -0.507   7.742   7.742
  480   2HB   ARG  67          1HB       ARG  67   0.087   9.262   9.262
  481   1HG   ARG  67          2HG       ARG  67  -2.444   9.656   9.656
  482   2HG   ARG  67          1HG       ARG  67  -2.722   8.466   8.466
  483   1HD   ARG  67          2HD       ARG  67  -0.872  10.800  10.800
  484   2HD   ARG  67          1HD       ARG  67  -2.627  10.975  10.975
  485    HE   ARG  67           HE       ARG  67  -0.927   9.020   9.020
  486   1HH1  ARG  67          1HH2      ARG  67  -4.104   9.850   9.850
  487   2HH1  ARG  67          2HH2      ARG  67  -4.710   9.785   9.785
  488   1HH2  ARG  67          2HH1      ARG  67  -1.589   9.316   9.316
  489   2HH2  ARG  67          1HH1      ARG  67  -3.288   9.479   9.479
  490    H    ASP  68           H        ASP  68  -3.310   8.302   8.302
  491    HA   ASP  68           HA       ASP  68  -4.078   5.527   5.527
  492   1HB   ASP  68          2HB       ASP  68  -5.247   8.206   8.206
  493   2HB   ASP  68          1HB       ASP  68  -6.324   6.999   6.999
  494    H    GLU  69           H        GLU  69  -3.961   7.672   7.672
  495    HA   GLU  69           HA       GLU  69  -5.422   5.877   5.877
  496   1HB   GLU  69          2HB       GLU  69  -3.412   8.055   8.055
  497   2HB   GLU  69          1HB       GLU  69  -4.696   7.457   7.457
  498   1HG   GLU  69          2HG       GLU  69  -6.397   8.395   8.395
  499   2HG   GLU  69          1HG       GLU  69  -5.255   8.712   8.712
  500    H    PHE  70           H        PHE  70  -1.986   6.728   6.728
  501    HA   PHE  70           HA       PHE  70  -0.836   4.950   4.950
  502   1HB   PHE  70          2HB       PHE  70   0.250   6.732   6.732
  503   2HB   PHE  70          1HB       PHE  70   0.172   5.588   5.588
  504    HD1  PHE  70           HD1      PHE  70   1.568   6.152   6.152
  505    HD2  PHE  70           HD2      PHE  70   1.704   3.758   3.758
  506    HE1  PHE  70           HE1      PHE  70   3.637   5.060   5.060
  507    HE2  PHE  70           HE2      PHE  70   3.775   2.669   2.669
  508    HZ   PHE  70           HZ       PHE  70   4.743   3.323   3.323
  509    H    ALA  71           H        ALA  71  -2.162   4.392   4.392
  510    HA   ALA  71           HA       ALA  71  -1.203   1.776   1.776
  511   1HB   ALA  71          1HB       ALA  71  -2.827   3.591   3.591
  512   2HB   ALA  71          3HB       ALA  71  -4.029   2.426   2.426
  513   3HB   ALA  71          2HB       ALA  71  -2.726   1.908   1.908
  514    H    VAL  72           H        VAL  72  -4.269   2.726   2.726
  515    HA   VAL  72           HA       VAL  72  -5.199   0.152   0.152
  516    HB   VAL  72           HB       VAL  72  -5.440   2.855   2.855
  517   1HG1  VAL  72          1HG1      VAL  72  -6.917   0.259   0.259
  518   2HG1  VAL  72          3HG1      VAL  72  -7.582   1.828   1.828
  519   3HG1  VAL  72          2HG1      VAL  72  -6.077   1.261   1.261
  520   1HG2  VAL  72          3HG2      VAL  72  -6.252   2.355   2.355
  521   2HG2  VAL  72          2HG2      VAL  72  -7.354   3.170   3.170
  522   3HG2  VAL  72          1HG2      VAL  72  -7.534   1.443   1.443
  523    H    ALA  73           H        ALA  73  -2.658   2.080   2.080
  524    HA   ALA  73           HA       ALA  73  -2.566   0.429   0.429
  525   1HB   ALA  73          1HB       ALA  73  -1.727   3.010   3.010
  526   2HB   ALA  73          3HB       ALA  73  -0.311   2.145   2.145
  527   3HB   ALA  73          2HB       ALA  73  -1.723   2.380   2.380
  528    H    MET  74           H        MET  74  -1.345   0.076   0.076
  529    HA   MET  74           HA       MET  74   1.191  -1.181  -1.181
  530   1HB   MET  74          2HB       MET  74  -0.002  -1.020  -1.020
  531   2HB   MET  74          1HB       MET  74   1.683  -1.301  -1.301
  532   1HG   MET  74          2HG       MET  74   0.150   1.243   1.243
  533   2HG   MET  74          1HG       MET  74   1.843   0.940   0.940
  534   1HE   MET  74          3HE       MET  74   2.986  -0.433  -0.433
  535   2HE   MET  74          2HE       MET  74   2.849  -0.164  -0.164
  536   3HE   MET  74          1HE       MET  74   3.841   0.917   0.917
  537    H    PHE  75           H        PHE  75  -1.960  -2.130  -2.130
  538    HA   PHE  75           HA       PHE  75  -1.170  -4.960  -4.960
  539   1HB   PHE  75          2HB       PHE  75  -3.239  -5.231  -5.231
  540   2HB   PHE  75          1HB       PHE  75  -2.881  -3.547  -3.547
  541    HD1  PHE  75           HD1      PHE  75  -4.736  -5.762  -5.762
  542    HD2  PHE  75           HD2      PHE  75  -4.265  -1.793  -1.793
  543    HE1  PHE  75           HE1      PHE  75  -6.815  -5.060  -5.060
  544    HE2  PHE  75           HE2      PHE  75  -6.337  -1.093  -1.093
  545    HZ   PHE  75           HZ       PHE  75  -7.617  -2.723  -2.723
  546    H    LEU  76           H        LEU  76  -2.626  -2.735  -2.735
  547    HA   LEU  76           HA       LEU  76  -3.810  -4.738  -4.738
  548   1HB   LEU  76          2HB       LEU  76  -3.488  -1.822  -1.822
  549   2HB   LEU  76          1HB       LEU  76  -3.466  -2.405  -2.405
  550    HG   LEU  76           HG       LEU  76  -5.571  -3.263  -3.263
  551   1HD1  LEU  76          1HD1      LEU  76  -5.232  -0.707  -0.707
  552   2HD1  LEU  76          3HD1      LEU  76  -6.716  -1.507  -1.507
  553   3HD1  LEU  76          2HD1      LEU  76  -6.440  -1.186  -1.186
  554   1HD2  LEU  76          3HD2      LEU  76  -4.914  -4.412  -4.412
  555   2HD2  LEU  76          2HD2      LEU  76  -6.597  -4.271  -4.271
  556   3HD2  LEU  76          1HD2      LEU  76  -5.921  -3.118  -3.118
  557    H    VAL  77           H        VAL  77  -0.689  -3.260  -3.260
  558    HA   VAL  77           HA       VAL  77   0.312  -4.131  -4.131
  559    HB   VAL  77           HB       VAL  77   1.451  -2.668  -2.668
  560   1HG1  VAL  77          2HG1      VAL  77   2.825  -3.911  -3.911
  561   2HG1  VAL  77          1HG1      VAL  77   3.298  -2.254  -2.254
  562   3HG1  VAL  77          3HG1      VAL  77   3.454  -3.524  -3.524
  563   1HG2  VAL  77          2HG2      VAL  77   0.799  -1.864  -1.864
  564   2HG2  VAL  77          1HG2      VAL  77  -0.062  -1.370  -1.370
  565   3HG2  VAL  77          3HG2      VAL  77   1.586  -0.813  -0.813
  566    H    TYR  78           H        TYR  78   0.466  -5.032  -5.032
  567    HA   TYR  78           HA       TYR  78   2.495  -7.109  -7.109
  568   1HB   TYR  78          2HB       TYR  78   1.039  -5.811  -5.811
  569   2HB   TYR  78          1HB       TYR  78   1.338  -7.530  -7.530
  570    HD1  TYR  78           HD2      TYR  78   3.813  -8.224  -8.224
  571    HD2  TYR  78           HD1      TYR  78   2.680  -4.430  -4.430
  572    HE1  TYR  78           HE2      TYR  78   6.193  -7.736  -7.736
  573    HE2  TYR  78           HE1      TYR  78   5.055  -3.941  -3.941
  574    HH   TYR  78           HH       TYR  78   7.159  -4.633  -4.633
  575    H    CYS  79           H        CYS  79  -0.991  -6.840  -6.840
  576    HA   CYS  79           HA       CYS  79  -1.412  -9.753  -9.753
  577   1HB   CYS  79          2HB       CYS  79  -3.156  -7.305  -7.305
  578   2HB   CYS  79          1HB       CYS  79  -3.817  -8.939  -8.939
  579    HG   CYS  79           HG       CYS  79  -3.959  -8.475  -8.475
  580    H    ALA  80           H        ALA  80  -0.680  -7.473  -7.473
  581    HA   ALA  80           HA       ALA  80  -2.108  -8.866  -8.866
  582   1HB   ALA  80          2HB       ALA  80  -0.389  -6.493  -6.493
  583   2HB   ALA  80          1HB       ALA  80  -0.178  -7.268  -7.268
  584   3HB   ALA  80          3HB       ALA  80  -1.771  -6.691  -6.691
  585    H    LEU  81           H        LEU  81   0.853  -9.117  -9.117
  586    HA   LEU  81           HA       LEU  81   2.251 -10.648 -10.648
  587   1HB   LEU  81          2HB       LEU  81   3.063 -10.139 -10.139
  588   2HB   LEU  81          1HB       LEU  81   4.113 -10.417 -10.417
  589    HG   LEU  81           HG       LEU  81   2.265  -8.053  -8.053
  590   1HD1  LEU  81          3HD1      LEU  81   3.485  -8.193  -8.193
  591   2HD1  LEU  81          2HD1      LEU  81   4.972  -7.960  -7.960
  592   3HD1  LEU  81          1HD1      LEU  81   3.719  -6.718  -6.718
  593   1HD2  LEU  81          1HD2      LEU  81   5.009  -8.740  -8.740
  594   2HD2  LEU  81          3HD2      LEU  81   3.530  -8.460  -8.460
  595   3HD2  LEU  81          2HD2      LEU  81   4.322  -7.118  -7.118
  596    H    GLU  82           H        GLU  82   0.846 -11.160 -11.160
  597    HA   GLU  82           HA       GLU  82   1.115 -14.108 -14.108
  598   1HB   GLU  82          2HB       GLU  82   2.610 -13.558 -13.558
  599   2HB   GLU  82          1HB       GLU  82   1.525 -12.347 -12.347
  600   1HG   GLU  82          2HG       GLU  82   0.234 -13.919 -13.919
  601   2HG   GLU  82          1HG       GLU  82   0.609 -15.197 -15.197
  602    H    LYS  83           H        LYS  83  -1.196 -11.598 -11.598
  603    HA   LYS  83           HA       LYS  83  -3.094 -13.529 -13.529
  604   1HB   LYS  83          2HB       LYS  83  -2.643 -11.075 -11.075
  605   2HB   LYS  83          1HB       LYS  83  -3.671 -10.658 -10.658
  606   1HG   LYS  83          2HG       LYS  83  -5.516 -11.157 -11.157
  607   2HG   LYS  83          1HG       LYS  83  -4.901 -12.778 -12.778
  608   1HD   LYS  83          2HD       LYS  83  -3.397 -10.994 -10.994
  609   2HD   LYS  83          1HD       LYS  83  -5.090 -10.530 -10.530
  610   1HE   LYS  83          2HE       LYS  83  -5.647 -12.488 -12.488
  611   2HE   LYS  83          1HE       LYS  83  -4.534 -13.454 -13.454
  612   1HZ   LYS  83          1HZ       LYS  83  -3.348 -11.440 -11.440
  613   2HZ   LYS  83          3HZ       LYS  83  -3.990 -12.811 -12.811
  614   3HZ   LYS  83          2HZ       LYS  83  -2.778 -12.985 -12.985
  615    H    GLU  84           H        GLU  84  -3.684 -11.024 -11.024
  616    HA   GLU  84           HA       GLU  84  -4.512 -12.937 -12.937
  617   1HB   GLU  84          2HB       GLU  84  -6.286 -12.187 -12.187
  618   2HB   GLU  84          1HB       GLU  84  -6.959 -11.654 -11.654
  619   1HG   GLU  84          2HG       GLU  84  -6.934 -13.866 -13.866
  620   2HG   GLU  84          1HG       GLU  84  -5.864 -14.446 -14.446
  621    HA   PRO  85           HA       PRO  85  -4.572  -9.374  -9.374
  622   1HB   PRO  85          2HB       PRO  85  -7.009  -9.297  -9.297
  623   2HB   PRO  85          1HB       PRO  85  -5.735 -10.462 -10.462
  624   1HG   PRO  85          2HG       PRO  85  -8.155 -10.827 -10.827
  625   2HG   PRO  85          1HG       PRO  85  -7.432 -11.927 -11.927
  626   1HD   PRO  85          2HD       PRO  85  -7.088 -12.228 -12.228
  627   2HD   PRO  85          1HD       PRO  85  -5.846 -12.698 -12.698
  628    H    VAL  86           H        VAL  86  -5.508  -7.154  -7.154
  629    HA   VAL  86           HA       VAL  86  -7.049  -6.322  -6.322
  630    HB   VAL  86           HB       VAL  86  -4.941  -5.026  -5.026
  631   1HG1  VAL  86          1HG1      VAL  86  -6.841  -3.801  -3.801
  632   2HG1  VAL  86          3HG1      VAL  86  -5.242  -3.109  -3.109
  633   3HG1  VAL  86          2HG1      VAL  86  -6.391  -3.212  -3.212
  634   1HG2  VAL  86          1HG2      VAL  86  -5.149  -6.005  -6.005
  635   2HG2  VAL  86          3HG2      VAL  86  -3.887  -6.322  -6.322
  636   3HG2  VAL  86          2HG2      VAL  86  -3.989  -4.742  -4.742
  637    HA   PRO  87           HA       PRO  87 -10.055  -5.100  -5.100
  638   1HB   PRO  87          2HB       PRO  87 -12.070  -4.600  -4.600
  639   2HB   PRO  87          1HB       PRO  87 -11.630  -6.241  -6.241
  640   1HG   PRO  87          2HG       PRO  87 -11.068  -4.837  -4.837
  641   2HG   PRO  87          1HG       PRO  87 -11.289  -6.563  -6.563
  642   1HD   PRO  87          2HD       PRO  87  -8.847  -5.250  -5.250
  643   2HD   PRO  87          1HD       PRO  87  -9.070  -6.887  -6.887
  644    H    MET  88           H        MET  88 -11.115  -2.996  -2.996
  645    HA   MET  88           HA       MET  88  -9.635  -0.712  -0.712
  646   1HB   MET  88          2HB       MET  88 -11.907  -0.743  -0.743
  647   2HB   MET  88          1HB       MET  88 -10.680   0.502   0.502
  648   1HG   MET  88          2HG       MET  88  -9.022  -0.764  -0.764
  649   2HG   MET  88          1HG       MET  88  -9.804  -2.294  -2.294
  650   1HE   MET  88          2HE       MET  88  -8.535  -1.026  -1.026
  651   2HE   MET  88          1HE       MET  88  -9.725  -0.355  -0.355
  652   3HE   MET  88          3HE       MET  88  -9.280   0.531   0.531
  653    H    SER  89           H        SER  89 -11.987  -2.358  -2.358
  654    HA   SER  89           HA       SER  89 -13.743  -0.012  -0.012
  655   1HB   SER  89          2HB       SER  89 -14.044  -2.997  -2.997
  656   2HB   SER  89          1HB       SER  89 -15.239  -1.829  -1.829
  657    HG   SER  89           HG       SER  89 -14.953  -1.076  -1.076
  658    H    LEU  90           H        LEU  90 -13.026   1.097   1.097
  659    HA   LEU  90           HA       LEU  90 -11.708  -0.309  -0.309
  660   1HB   LEU  90          2HB       LEU  90 -10.538   1.625   1.625
  661   2HB   LEU  90          1HB       LEU  90 -11.855   2.374   2.374
  662    HG   LEU  90           HG       LEU  90 -12.951   3.028   3.028
  663   1HD1  LEU  90          2HD1      LEU  90 -11.767   0.820   0.820
  664   2HD1  LEU  90          1HD1      LEU  90 -10.797   2.124   2.124
  665   3HD1  LEU  90          3HD1      LEU  90 -12.542   2.108   2.108
  666   1HD2  LEU  90          3HD2      LEU  90 -10.645   4.109   4.109
  667   2HD2  LEU  90          2HD2      LEU  90 -11.527   4.755   4.755
  668   3HD2  LEU  90          1HD2      LEU  90 -10.150   3.682   3.682
  669    HA   PRO  91           HA       PRO  91 -15.981  -0.514  -0.514
  670   1HB   PRO  91          2HB       PRO  91 -15.389  -2.345  -2.345
  671   2HB   PRO  91          1HB       PRO  91 -15.727  -2.788  -2.788
  672   1HG   PRO  91          2HG       PRO  91 -13.095  -2.430  -2.430
  673   2HG   PRO  91          1HG       PRO  91 -13.622  -3.715  -3.715
  674   1HD   PRO  91          2HD       PRO  91 -12.081  -1.706  -1.706
  675   2HD   PRO  91          1HD       PRO  91 -13.375  -2.386  -2.386
  676    HA   PRO  92           HA       PRO  92 -15.738   2.138   2.138
  677   1HB   PRO  92          2HB       PRO  92 -17.761   1.227   1.227
  678   2HB   PRO  92          1HB       PRO  92 -18.044   2.106   2.106
  679   1HG   PRO  92          2HG       PRO  92 -18.178  -0.814  -0.814
  680   2HG   PRO  92          1HG       PRO  92 -19.211   0.189   0.189
  681   1HD   PRO  92          2HD       PRO  92 -17.234  -1.421  -1.421
  682   2HD   PRO  92          1HD       PRO  92 -17.780   0.059   0.059
  683    H    ALA  93           H        ALA  93 -15.113  -1.180  -1.180
  684    HA   ALA  93           HA       ALA  93 -14.646  -1.194  -1.194
  685   1HB   ALA  93          1HB       ALA  93 -14.731  -3.005  -3.005
  686   2HB   ALA  93          3HB       ALA  93 -13.184  -3.218  -3.218
  687   3HB   ALA  93          2HB       ALA  93 -14.692  -3.398  -3.398
  688    H    LEU  94           H        LEU  94 -13.040   0.168   0.168
  689    HA   LEU  94           HA       LEU  94 -10.396   0.028   0.028
  690   1HB   LEU  94          2HB       LEU  94 -11.241   0.557   0.557
  691   2HB   LEU  94          1HB       LEU  94  -9.574   0.699   0.699
  692    HG   LEU  94           HG       LEU  94 -10.859  -1.824  -1.824
  693   1HD1  LEU  94          2HD1      LEU  94 -11.732  -1.106  -1.106
  694   2HD1  LEU  94          1HD1      LEU  94 -10.126  -1.645  -1.645
  695   3HD1  LEU  94          3HD1      LEU  94 -11.222  -2.765  -2.765
  696   1HD2  LEU  94          3HD2      LEU  94  -8.419  -1.245  -1.245
  697   2HD2  LEU  94          2HD2      LEU  94  -8.719  -2.720  -2.720
  698   3HD2  LEU  94          1HD2      LEU  94  -8.338  -1.220  -1.220
  699    H    VAL  95           H        VAL  95 -13.015   2.021   2.021
  700    HA   VAL  95           HA       VAL  95 -11.579   4.562   4.562
  701    HB   VAL  95           HB       VAL  95 -14.420   3.723   3.723
  702   1HG1  VAL  95          2HG1      VAL  95 -13.851   5.882   5.882
  703   2HG1  VAL  95          1HG1      VAL  95 -13.424   6.561   6.561
  704   3HG1  VAL  95          3HG1      VAL  95 -15.084   6.056   6.056
  705   1HG2  VAL  95          2HG2      VAL  95 -12.948   4.929   4.929
  706   2HG2  VAL  95          1HG2      VAL  95 -13.830   3.404   3.404
  707   3HG2  VAL  95          3HG2      VAL  95 -14.709   4.932   4.932
  708    HA   PRO  96           HA       PRO  96 -10.719   4.574   4.574
  709   1HB   PRO  96          2HB       PRO  96  -8.972   6.683   6.683
  710   2HB   PRO  96          1HB       PRO  96  -8.503   5.018   5.018
  711   1HG   PRO  96          2HG       PRO  96  -9.186   7.279   7.279
  712   2HG   PRO  96          1HG       PRO  96  -7.947   6.027   6.027
  713   1HD   PRO  96          2HD       PRO  96 -10.330   5.979   5.979
  714   2HD   PRO  96          1HD       PRO  96  -9.414   4.516   4.516
  715    HA   PRO  97           HA       PRO  97 -13.244   7.937   7.937
  716   1HB   PRO  97          2HB       PRO  97 -11.897   9.066   9.066
  717   2HB   PRO  97          1HB       PRO  97 -12.699   7.485   7.485
  718   1HG   PRO  97          2HG       PRO  97  -9.816   8.124   8.124
  719   2HG   PRO  97          1HG       PRO  97 -10.566   6.847   6.847
  720   1HD   PRO  97          2HD       PRO  97  -9.456   6.405   6.405
  721   2HD   PRO  97          1HD       PRO  97 -10.797   5.436   5.436
  722    H    SER  98           H        SER  98 -12.026   8.735   8.735
  723    HA   SER  98           HA       SER  98 -11.288  11.566  11.566
  724   1HB   SER  98          2HB       SER  98 -10.023   9.788   9.788
  725   2HB   SER  98          1HB       SER  98  -9.511  11.410  11.410
  726    HG   SER  98           HG       SER  98  -8.888  10.625  10.625
  727    H    LYS  99           H        LYS  99 -12.453   9.177   9.177
  728    HA   LYS  99           HA       LYS  99 -13.631  11.274  11.274
  729   1HB   LYS  99          2HB       LYS  99 -12.502   8.884   8.884
  730   2HB   LYS  99          1HB       LYS  99 -14.171   8.350   8.350
  731   1HG   LYS  99          2HG       LYS  99 -14.582  10.507  10.507
  732   2HG   LYS  99          1HG       LYS  99 -12.966  10.054  10.054
  733   1HD   LYS  99          2HD       LYS  99 -15.406   8.253   8.253
  734   2HD   LYS  99          1HD       LYS  99 -14.622   8.894   8.894
  735   1HE   LYS  99          2HE       LYS  99 -12.846   7.409   7.409
  736   2HE   LYS  99          1HE       LYS  99 -14.043   6.439   6.439
  737   1HZ   LYS  99          1HZ       LYS  99 -12.752   8.508   8.508
  738   2HZ   LYS  99          3HZ       LYS  99 -11.714   7.265   7.265
  739   3HZ   LYS  99          2HZ       LYS  99 -13.098   6.896   6.896
  740    H    ARG 100           H        ARG 100 -14.418  10.028  10.028
  741    HA   ARG 100           HA       ARG 100 -17.003   8.967   8.967
  742   1HB   ARG 100          2HB       ARG 100 -15.634  10.951  10.951
  743   2HB   ARG 100          1HB       ARG 100 -17.228  10.292  10.292
  744   1HG   ARG 100          2HG       ARG 100 -14.665   8.726   8.726
  745   2HG   ARG 100          1HG       ARG 100 -15.565   8.909   8.909
  746   1HD   ARG 100          2HD       ARG 100 -16.544   6.929   6.929
  747   2HD   ARG 100          1HD       ARG 100 -17.508   7.945   7.945
  748    HE   ARG 100           HE       ARG 100 -15.494   7.588   7.588
  749   1HH1  ARG 100          1HH2      ARG 100 -14.542   5.582   5.582
  750   2HH1  ARG 100          2HH2      ARG 100 -14.894   4.086   4.086
  751   1HH2  ARG 100          2HH1      ARG 100 -16.849   5.552   5.552
  752   2HH2  ARG 100          1HH1      ARG 100 -16.198   4.069   4.069

  Start of MODEL   14
    1    HA   PRO   6           HA       PRO   6 -14.211  -2.648  -2.648
    2   1HB   PRO   6          2HB       PRO   6 -11.608  -3.417  -3.417
    3   2HB   PRO   6          1HB       PRO   6 -12.881  -3.836  -3.836
    4   1HG   PRO   6          2HG       PRO   6 -11.613  -5.503  -5.503
    5   2HG   PRO   6          1HG       PRO   6 -12.203  -5.959  -5.959
    6   1HD   PRO   6          2HD       PRO   6 -13.546  -6.432  -6.432
    7   2HD   PRO   6          1HD       PRO   6 -14.306  -6.368  -6.368
    8    H    TRP   7           H        TRP   7 -11.748  -1.644  -1.644
    9    HA   TRP   7           HA       TRP   7 -12.027  -0.824  -0.824
   10   1HB   TRP   7          2HB       TRP   7 -11.002   0.561   0.561
   11   2HB   TRP   7          1HB       TRP   7  -9.754  -0.656  -0.656
   12    HD1  TRP   7           HD1      TRP   7 -10.935   0.270   0.270
   13    HE1  TRP   7           HE1      TRP   7  -8.981   1.362   1.362
   14    HE3  TRP   7           HE3      TRP   7  -7.533   0.677   0.677
   15    HZ2  TRP   7           HZ2      TRP   7  -6.324   2.290   2.290
   16    HZ3  TRP   7           HZ3      TRP   7  -5.301   1.668   1.668
   17    HH2  TRP   7           HH2      TRP   7  -4.691   2.473   2.473
   18    H    ALA   8           H        ALA   8 -10.984  -1.585  -1.585
   19    HA   ALA   8           HA       ALA   8 -10.175  -4.228  -4.228
   20   1HB   ALA   8          3HB       ALA   8  -9.251  -1.697  -1.697
   21   2HB   ALA   8          2HB       ALA   8  -8.981  -3.320  -3.320
   22   3HB   ALA   8          1HB       ALA   8 -10.625  -2.709  -2.709
   23    H    VAL   9           H        VAL   9  -8.296  -1.537  -1.537
   24    HA   VAL   9           HA       VAL   9  -5.901  -3.332  -3.332
   25    HB   VAL   9           HB       VAL   9  -6.202  -0.312  -0.312
   26   1HG1  VAL   9          1HG1      VAL   9  -4.262  -1.449  -1.449
   27   2HG1  VAL   9          3HG1      VAL   9  -3.609  -1.820  -1.820
   28   3HG1  VAL   9          2HG1      VAL   9  -3.870  -0.142  -0.142
   29   1HG2  VAL   9          2HG2      VAL   9  -5.592  -2.380  -2.380
   30   2HG2  VAL   9          1HG2      VAL   9  -6.465  -0.855  -0.855
   31   3HG2  VAL   9          3HG2      VAL   9  -4.703  -0.859  -0.859
   32    H    LYS  10           H        LYS  10  -4.721  -3.338  -3.338
   33    HA   LYS  10           HA       LYS  10  -6.380  -2.555  -2.555
   34   1HB   LYS  10          2HB       LYS  10  -5.070  -4.956  -4.956
   35   2HB   LYS  10          1HB       LYS  10  -4.354  -4.454  -4.454
   36   1HG   LYS  10          2HG       LYS  10  -6.175  -5.158  -5.158
   37   2HG   LYS  10          1HG       LYS  10  -7.208  -4.118  -4.118
   38   1HD   LYS  10          2HD       LYS  10  -7.736  -5.802  -5.802
   39   2HD   LYS  10          1HD       LYS  10  -6.201  -6.637  -6.637
   40   1HE   LYS  10          2HE       LYS  10  -7.795  -6.548  -6.548
   41   2HE   LYS  10          1HE       LYS  10  -8.619  -7.400  -7.400
   42   1HZ   LYS  10          3HZ       LYS  10  -5.781  -7.837  -7.837
   43   2HZ   LYS  10          2HZ       LYS  10  -7.063  -8.834  -8.834
   44   3HZ   LYS  10          1HZ       LYS  10  -6.672  -8.712  -8.712
   45    HA   PRO  11           HA       PRO  11  -3.083  -0.178  -0.178
   46   1HB   PRO  11          2HB       PRO  11  -2.426  -1.307  -1.307
   47   2HB   PRO  11          1HB       PRO  11  -3.926  -0.395  -0.395
   48   1HG   PRO  11          2HG       PRO  11  -3.485  -3.341  -3.341
   49   2HG   PRO  11          1HG       PRO  11  -4.827  -2.388  -2.388
   50   1HD   PRO  11          2HD       PRO  11  -4.998  -3.760  -3.760
   51   2HD   PRO  11          1HD       PRO  11  -5.903  -2.264  -2.264
   52    H    GLU  12           H        GLU  12  -2.353  -3.662  -3.662
   53    HA   GLU  12           HA       GLU  12   0.503  -3.374  -3.374
   54   1HB   GLU  12          2HB       GLU  12   0.472  -5.762  -5.762
   55   2HB   GLU  12          1HB       GLU  12  -0.956  -5.371  -5.371
   56   1HG   GLU  12          2HG       GLU  12  -2.224  -5.223  -5.223
   57   2HG   GLU  12          1HG       GLU  12  -0.812  -5.983  -5.983
   58    H    ASP  13           H        ASP  13  -1.813  -3.422  -3.422
   59    HA   ASP  13           HA       ASP  13   0.267  -3.708  -3.708
   60   1HB   ASP  13          2HB       ASP  13  -2.663  -2.931  -2.931
   61   2HB   ASP  13          1HB       ASP  13  -1.649  -3.561  -3.561
   62    H    LYS  14           H        LYS  14  -1.832  -1.197  -1.197
   63    HA   LYS  14           HA       LYS  14  -0.921   0.930   0.930
   64   1HB   LYS  14          2HB       LYS  14  -3.050   0.897   0.897
   65   2HB   LYS  14          1HB       LYS  14  -2.121   0.975   0.975
   66   1HG   LYS  14          2HG       LYS  14  -2.592   3.227   3.227
   67   2HG   LYS  14          1HG       LYS  14  -1.038   3.094   3.094
   68   1HD   LYS  14          2HD       LYS  14  -2.015   3.805   3.805
   69   2HD   LYS  14          1HD       LYS  14  -3.019   2.355   2.355
   70   1HE   LYS  14          2HE       LYS  14  -4.528   4.242   4.242
   71   2HE   LYS  14          1HE       LYS  14  -4.566   3.603   3.603
   72   1HZ   LYS  14          1HZ       LYS  14  -2.800   5.796   5.796
   73   2HZ   LYS  14          3HZ       LYS  14  -4.199   6.010   6.010
   74   3HZ   LYS  14          2HZ       LYS  14  -2.863   5.186   5.186
   75    H    ALA  15           H        ALA  15   0.478  -0.747  -0.747
   76    HA   ALA  15           HA       ALA  15   2.157   1.436   1.436
   77   1HB   ALA  15          3HB       ALA  15   1.429  -0.529  -0.529
   78   2HB   ALA  15          2HB       ALA  15   2.337  -1.588  -1.588
   79   3HB   ALA  15          1HB       ALA  15   3.188  -0.416  -0.416
   80    H    LYS  16           H        LYS  16   2.473  -1.307  -1.307
   81    HA   LYS  16           HA       LYS  16   5.278  -0.708  -0.708
   82   1HB   LYS  16          2HB       LYS  16   3.416  -2.450  -2.450
   83   2HB   LYS  16          1HB       LYS  16   5.121  -2.708  -2.708
   84   1HG   LYS  16          2HG       LYS  16   3.926  -2.646  -2.646
   85   2HG   LYS  16          1HG       LYS  16   2.745  -3.500  -3.500
   86   1HD   LYS  16          2HD       LYS  16   5.680  -4.215  -4.215
   87   2HD   LYS  16          1HD       LYS  16   4.589  -4.928  -4.928
   88   1HE   LYS  16          2HE       LYS  16   3.113  -5.706  -5.706
   89   2HE   LYS  16          1HE       LYS  16   4.309  -5.086  -5.086
   90   1HZ   LYS  16          2HZ       LYS  16   5.347  -6.714  -6.714
   91   2HZ   LYS  16          1HZ       LYS  16   4.423  -7.542  -7.542
   92   3HZ   LYS  16          3HZ       LYS  16   5.800  -6.675  -6.675
   93    H    TYR  17           H        TYR  17   2.050  -0.350  -0.350
   94    HA   TYR  17           HA       TYR  17   2.839   0.835   0.835
   95   1HB   TYR  17          2HB       TYR  17   0.355   1.229   1.229
   96   2HB   TYR  17          1HB       TYR  17   0.485   1.607   1.607
   97    HD1  TYR  17           HD1      TYR  17   2.434  -1.263  -1.263
   98    HD2  TYR  17           HD2      TYR  17  -1.670   0.003   0.003
   99    HE1  TYR  17           HE1      TYR  17   1.735  -3.571  -3.571
  100    HE2  TYR  17           HE2      TYR  17  -2.371  -2.305  -2.305
  101    HH   TYR  17           HH       TYR  17  -0.707  -4.476  -4.476
  102    H    ASP  18           H        ASP  18   2.674   1.901   1.901
  103    HA   ASP  18           HA       ASP  18   2.750   4.783   4.783
  104   1HB   ASP  18          2HB       ASP  18   1.460   4.229   4.229
  105   2HB   ASP  18          1HB       ASP  18   2.700   3.137   3.137
  106    H    ALA  19           H        ALA  19   4.947   2.192   2.192
  107    HA   ALA  19           HA       ALA  19   7.200   3.985   3.985
  108   1HB   ALA  19          3HB       ALA  19   6.479   1.224   1.224
  109   2HB   ALA  19          2HB       ALA  19   7.959   1.297   1.297
  110   3HB   ALA  19          1HB       ALA  19   7.906   2.036   2.036
  111    H    ILE  20           H        ILE  20   5.780   2.226   2.226
  112    HA   ILE  20           HA       ILE  20   7.984   2.615   2.615
  113    HB   ILE  20           HB       ILE  20   5.144   1.582   1.582
  114   1HG1  ILE  20          2HG1      ILE  20   7.686   0.249   0.249
  115   2HG1  ILE  20          1HG1      ILE  20   7.166   0.202   0.202
  116   1HG2  ILE  20          2HG2      ILE  20   6.874   2.118   2.118
  117   2HG2  ILE  20          1HG2      ILE  20   5.484   1.033   1.033
  118   3HG2  ILE  20          3HG2      ILE  20   5.262   2.744   2.744
  119   1HD1  ILE  20          2HD1      ILE  20   5.532  -0.753  -0.753
  120   2HD1  ILE  20          1HD1      ILE  20   6.371  -1.794  -1.794
  121   3HD1  ILE  20          3HD1      ILE  20   5.015  -0.799  -0.799
  122    H    PHE  21           H        PHE  21   4.902   4.083   4.083
  123    HA   PHE  21           HA       PHE  21   4.751   5.975   5.975
  124   1HB   PHE  21          2HB       PHE  21   2.714   5.665   5.665
  125   2HB   PHE  21          1HB       PHE  21   3.457   5.393   5.393
  126    HD1  PHE  21           HD2      PHE  21   4.472   7.426   7.426
  127    HD2  PHE  21           HD1      PHE  21   1.767   7.759   7.759
  128    HE1  PHE  21           HE2      PHE  21   3.957   9.760   9.760
  129    HE2  PHE  21           HE1      PHE  21   1.245  10.094  10.094
  130    HZ   PHE  21           HZ       PHE  21   2.348  11.092  11.092
  131    H    ASP  22           H        ASP  22   6.087   6.026   6.026
  132    HA   ASP  22           HA       ASP  22   6.953   8.830   8.830
  133   1HB   ASP  22          2HB       ASP  22   6.139   8.137   8.137
  134   2HB   ASP  22          1HB       ASP  22   7.080   6.643   6.643
  135    H    SER  23           H        SER  23   8.120   5.939   5.939
  136    HA   SER  23           HA       SER  23  10.989   6.467   6.467
  137   1HB   SER  23          2HB       SER  23  10.292   4.178   4.178
  138   2HB   SER  23          1HB       SER  23   9.368   4.332   4.332
  139    HG   SER  23           HG       SER  23  11.124   3.898   3.898
  140    H    LEU  24           H        LEU  24   8.651   7.538   7.538
  141    HA   LEU  24           HA       LEU  24  10.533   7.912   7.912
  142   1HB   LEU  24          2HB       LEU  24   7.612   8.568   8.568
  143   2HB   LEU  24          1HB       LEU  24   8.625   7.875   7.875
  144    HG   LEU  24           HG       LEU  24   7.855   6.369   6.369
  145   1HD1  LEU  24          3HD1      LEU  24   5.928   7.192   7.192
  146   2HD1  LEU  24          2HD1      LEU  24   6.540   5.958   5.958
  147   3HD1  LEU  24          1HD1      LEU  24   5.961   5.502   5.502
  148   1HD2  LEU  24          1HD2      LEU  24   9.234   5.775   5.775
  149   2HD2  LEU  24          3HD2      LEU  24   9.607   5.193   5.193
  150   3HD2  LEU  24          2HD2      LEU  24   8.253   4.504   4.504
  151    H    SER  25           H        SER  25   9.172   9.456   9.456
  152    HA   SER  25           HA       SER  25   9.519  11.720  11.720
  153   1HB   SER  25          2HB       SER  25   9.919  12.553  12.553
  154   2HB   SER  25          1HB       SER  25  10.632  13.229  13.229
  155    HG   SER  25           HG       SER  25  12.074  11.630  11.630
  156    HA   PRO  26           HA       PRO  26   5.201  11.998  11.998
  157   1HB   PRO  26          2HB       PRO  26   4.213  12.463  12.463
  158   2HB   PRO  26          1HB       PRO  26   4.555  10.832  10.832
  159   1HG   PRO  26          2HG       PRO  26   6.151  12.538  12.538
  160   2HG   PRO  26          1HG       PRO  26   5.886  10.788  10.788
  161   1HD   PRO  26          2HD       PRO  26   8.168  11.969  11.969
  162   2HD   PRO  26          1HD       PRO  26   7.583  10.379  10.379
  163    H    VAL  27           H        VAL  27   4.045  13.858  13.858
  164    HA   VAL  27           HA       VAL  27   5.275  16.420  16.420
  165    HB   VAL  27           HB       VAL  27   3.667  15.587  15.587
  166   1HG1  VAL  27          1HG1      VAL  27   4.446  18.310  18.310
  167   2HG1  VAL  27          3HG1      VAL  27   4.257  18.018  18.018
  168   3HG1  VAL  27          2HG1      VAL  27   2.891  17.774  17.774
  169   1HG2  VAL  27          2HG2      VAL  27   6.294  15.251  15.251
  170   2HG2  VAL  27          1HG2      VAL  27   5.660  15.688  15.688
  171   3HG2  VAL  27          3HG2      VAL  27   6.330  16.933  16.933
  172    H    ASN  28           H        ASN  28   4.084  17.129  17.129
  173    HA   ASN  28           HA       ASN  28   2.185  17.671  17.671
  174   1HB   ASN  28          2HB       ASN  28   1.078  17.858  17.858
  175   2HB   ASN  28          1HB       ASN  28   0.303  18.545  18.545
  176   1HD2  ASN  28          1HD2      ASN  28   2.757  19.040  19.040
  177   2HD2  ASN  28          2HD2      ASN  28   3.374  20.495  20.495
  178    H    GLY  29           H        GLY  29   2.725  14.840  14.840
  179   1HA   GLY  29          2HA       GLY  29   1.639  12.817  12.817
  180   2HA   GLY  29          1HA       GLY  29   0.118  13.708  13.708
  181    H    PHE  30           H        PHE  30   2.272  13.874  13.874
  182    HA   PHE  30           HA       PHE  30   0.367  12.209  12.209
  183   1HB   PHE  30          2HB       PHE  30   1.219  15.063  15.063
  184   2HB   PHE  30          1HB       PHE  30   0.274  14.068  14.068
  185    HD1  PHE  30           HD2      PHE  30  -1.789  12.844  12.844
  186    HD2  PHE  30           HD1      PHE  30   0.049  16.470  16.470
  187    HE1  PHE  30           HE2      PHE  30  -3.872  13.440  13.440
  188    HE2  PHE  30           HE1      PHE  30  -2.016  17.067  17.067
  189    HZ   PHE  30           HZ       PHE  30  -3.985  15.553  15.553
  190    H    LEU  31           H        LEU  31   1.257  11.301  11.301
  191    HA   LEU  31           HA       LEU  31   4.180  11.805  11.805
  192   1HB   LEU  31          2HB       LEU  31   2.573   9.226   9.226
  193   2HB   LEU  31          1HB       LEU  31   4.211   9.359   9.359
  194    HG   LEU  31           HG       LEU  31   3.603  10.251  10.251
  195   1HD1  LEU  31          1HD1      LEU  31   4.108   7.448   7.448
  196   2HD1  LEU  31          3HD1      LEU  31   4.461   7.922   7.922
  197   3HD1  LEU  31          2HD1      LEU  31   2.808   8.004   8.004
  198   1HD2  LEU  31          3HD2      LEU  31   6.023   9.420   9.420
  199   2HD2  LEU  31          2HD2      LEU  31   5.759  10.916  10.916
  200   3HD2  LEU  31          1HD2      LEU  31   6.057   9.405   9.405
  201    H    SER  32           H        SER  32   4.621  12.310  12.310
  202    HA   SER  32           HA       SER  32   2.383  12.742  12.742
  203   1HB   SER  32          2HB       SER  32   5.048  12.921  12.921
  204   2HB   SER  32          1HB       SER  32   3.852  14.187  14.187
  205    HG   SER  32           HG       SER  32   6.007  14.105  14.105
  206    H    GLY  33           H        GLY  33   1.863  11.593  11.593
  207   1HA   GLY  33          2HA       GLY  33   2.344   8.834   8.834
  208   2HA   GLY  33          1HA       GLY  33   1.917   9.817   9.817
  209    H    ASP  34           H        ASP  34   4.352  11.522  11.522
  210    HA   ASP  34           HA       ASP  34   6.201   9.931   9.931
  211   1HB   ASP  34          2HB       ASP  34   6.368  12.664  12.664
  212   2HB   ASP  34          1HB       ASP  34   7.531  12.049  12.049
  213    H    LYS  35           H        LYS  35   5.602  10.259  10.259
  214    HA   LYS  35           HA       LYS  35   8.390   9.640   9.640
  215   1HB   LYS  35          2HB       LYS  35   7.528  11.343  11.343
  216   2HB   LYS  35          1HB       LYS  35   5.873  10.796  10.796
  217   1HG   LYS  35          2HG       LYS  35   6.035  10.030  10.030
  218   2HG   LYS  35          1HG       LYS  35   7.040   8.739   8.739
  219   1HD   LYS  35          2HD       LYS  35   8.128   9.954   9.954
  220   2HD   LYS  35          1HD       LYS  35   9.043  10.043  10.043
  221   1HE   LYS  35          2HE       LYS  35   7.233  12.236  12.236
  222   2HE   LYS  35          1HE       LYS  35   8.008  12.217  12.217
  223   1HZ   LYS  35          3HZ       LYS  35   9.675  11.637  11.637
  224   2HZ   LYS  35          2HZ       LYS  35   9.207  13.254  13.254
  225   3HZ   LYS  35          1HZ       LYS  35  10.075  12.432  12.432
  226    H    VAL  36           H        VAL  36   5.058   8.518   8.518
  227    HA   VAL  36           HA       VAL  36   5.735   5.964   5.964
  228    HB   VAL  36           HB       VAL  36   3.240   7.046   7.046
  229   1HG1  VAL  36          3HG1      VAL  36   3.675   4.688   4.688
  230   2HG1  VAL  36          2HG1      VAL  36   2.090   5.338   5.338
  231   3HG1  VAL  36          1HG1      VAL  36   3.116   4.631   4.631
  232   1HG2  VAL  36          1HG2      VAL  36   4.384   7.234   7.234
  233   2HG2  VAL  36          3HG2      VAL  36   3.683   8.507   8.507
  234   3HG2  VAL  36          2HG2      VAL  36   2.639   7.300   7.300
  235    H    LYS  37           H        LYS  37   4.877   7.059   7.059
  236    HA   LYS  37           HA       LYS  37   4.325   4.789   4.789
  237   1HB   LYS  37          2HB       LYS  37   4.518   6.867   6.867
  238   2HB   LYS  37          1HB       LYS  37   6.190   7.088   7.088
  239   1HG   LYS  37          2HG       LYS  37   6.021   4.612   4.612
  240   2HG   LYS  37          1HG       LYS  37   5.227   5.854   5.854
  241   1HD   LYS  37          2HD       LYS  37   7.972   6.189   6.189
  242   2HD   LYS  37          1HD       LYS  37   7.701   5.664   5.664
  243   1HE   LYS  37          2HE       LYS  37   6.933   7.750   7.750
  244   2HE   LYS  37          1HE       LYS  37   6.343   8.171   8.171
  245   1HZ   LYS  37          2HZ       LYS  37   8.717   8.106   8.106
  246   2HZ   LYS  37          1HZ       LYS  37   9.164   8.006   8.006
  247   3HZ   LYS  37          3HZ       LYS  37   8.345   9.377   9.377
  248    HA   PRO  38           HA       PRO  38   8.942   3.440   3.440
  249   1HB   PRO  38          2HB       PRO  38  10.618   4.488   4.488
  250   2HB   PRO  38          1HB       PRO  38  10.423   5.195   5.195
  251   1HG   PRO  38          2HG       PRO  38   9.180   6.006   6.006
  252   2HG   PRO  38          1HG       PRO  38   9.849   7.015   7.015
  253   1HD   PRO  38          2HD       PRO  38   7.202   6.646   6.646
  254   2HD   PRO  38          1HD       PRO  38   7.952   6.835   6.835
  255    H    VAL  39           H        VAL  39   7.502   4.286   4.286
  256    HA   VAL  39           HA       VAL  39   8.513   1.980   1.980
  257    HB   VAL  39           HB       VAL  39   6.496   4.193   4.193
  258   1HG1  VAL  39          1HG1      VAL  39   6.788   1.677   1.677
  259   2HG1  VAL  39          3HG1      VAL  39   6.337   3.186   3.186
  260   3HG1  VAL  39          2HG1      VAL  39   5.320   2.524   2.524
  261   1HG2  VAL  39          1HG2      VAL  39   9.141   4.178   4.178
  262   2HG2  VAL  39          3HG2      VAL  39   8.056   5.080   5.080
  263   3HG2  VAL  39          2HG2      VAL  39   8.658   3.497   3.497
  264    H    LEU  40           H        LEU  40   6.095   2.442   2.442
  265    HA   LEU  40           HA       LEU  40   4.456   0.152   0.152
  266   1HB   LEU  40          2HB       LEU  40   4.153   2.292   2.292
  267   2HB   LEU  40          1HB       LEU  40   3.029   0.940   0.940
  268    HG   LEU  40           HG       LEU  40   3.674   2.898   2.898
  269   1HD1  LEU  40          2HD1      LEU  40   2.343   3.822   3.822
  270   2HD1  LEU  40          1HD1      LEU  40   1.130   2.582   2.582
  271   3HD1  LEU  40          3HD1      LEU  40   1.467   3.815   3.815
  272   1HD2  LEU  40          2HD2      LEU  40   2.060   0.391   0.391
  273   2HD2  LEU  40          1HD2      LEU  40   3.011   1.012   1.012
  274   3HD2  LEU  40          3HD2      LEU  40   1.427   1.705   1.705
  275    H    LEU  41           H        LEU  41   6.988   0.974   0.974
  276    HA   LEU  41           HA       LEU  41   6.490  -1.187  -1.187
  277   1HB   LEU  41          2HB       LEU  41   8.801   0.725   0.725
  278   2HB   LEU  41          1HB       LEU  41   8.596  -0.299  -0.299
  279    HG   LEU  41           HG       LEU  41   6.356   1.516   1.516
  280   1HD1  LEU  41          3HD1      LEU  41   9.009   2.417   2.417
  281   2HD1  LEU  41          2HD1      LEU  41   8.030   2.814   2.814
  282   3HD1  LEU  41          1HD1      LEU  41   7.548   3.387   3.387
  283   1HD2  LEU  41          3HD2      LEU  41   6.426  -0.260  -0.260
  284   2HD2  LEU  41          2HD2      LEU  41   5.791   1.341   1.341
  285   3HD2  LEU  41          1HD2      LEU  41   7.437   0.912   0.912
  286    H    ASN  42           H        ASN  42   8.793  -0.406  -0.406
  287    HA   ASN  42           HA       ASN  42  10.500  -2.621  -2.621
  288   1HB   ASN  42          2HB       ASN  42  11.008  -2.177  -2.177
  289   2HB   ASN  42          1HB       ASN  42  10.468  -0.628  -0.628
  290   1HD2  ASN  42          1HD2      ASN  42   7.730  -0.779  -0.779
  291   2HD2  ASN  42          2HD2      ASN  42   7.154  -1.082  -1.082
  292    H    SER  43           H        SER  43   7.145  -2.480  -2.480
  293    HA   SER  43           HA       SER  43   6.793  -4.917  -4.917
  294   1HB   SER  43          2HB       SER  43   4.737  -4.059  -4.059
  295   2HB   SER  43          1HB       SER  43   4.588  -4.333  -4.333
  296    HG   SER  43           HG       SER  43   4.954  -2.291  -2.291
  297    H    LYS  44           H        LYS  44   7.775  -4.393  -4.393
  298    HA   LYS  44           HA       LYS  44   8.315  -5.965  -5.965
  299   1HB   LYS  44          2HB       LYS  44   8.074  -7.432  -7.432
  300   2HB   LYS  44          1HB       LYS  44   7.109  -8.311  -8.311
  301   1HG   LYS  44          2HG       LYS  44   9.141  -7.988  -7.988
  302   2HG   LYS  44          1HG       LYS  44  10.040  -7.617  -7.617
  303   1HD   LYS  44          2HD       LYS  44   9.889  -9.771  -9.771
  304   2HD   LYS  44          1HD       LYS  44   8.336 -10.066 -10.066
  305   1HE   LYS  44          2HE       LYS  44   9.724  -9.886  -9.886
  306   2HE   LYS  44          1HE       LYS  44  11.103 -10.250 -10.250
  307   1HZ   LYS  44          1HZ       LYS  44   9.235 -11.956 -11.956
  308   2HZ   LYS  44          3HZ       LYS  44   8.870 -11.932 -11.932
  309   3HZ   LYS  44          2HZ       LYS  44  10.428 -12.366 -12.366
  310    H    LEU  45           H        LEU  45   5.556  -4.678  -4.678
  311    HA   LEU  45           HA       LEU  45   3.764  -6.502  -6.502
  312   1HB   LEU  45          2HB       LEU  45   3.513  -4.131  -4.131
  313   2HB   LEU  45          1HB       LEU  45   2.211  -4.448  -4.448
  314    HG   LEU  45           HG       LEU  45   3.312  -6.507  -6.507
  315   1HD1  LEU  45          3HD1      LEU  45   1.882  -4.315  -4.315
  316   2HD1  LEU  45          2HD1      LEU  45   0.571  -5.416  -5.416
  317   3HD1  LEU  45          1HD1      LEU  45   1.746  -5.875  -5.875
  318   1HD2  LEU  45          1HD2      LEU  45   2.022  -6.979  -6.979
  319   2HD2  LEU  45          3HD2      LEU  45   1.749  -7.962  -7.962
  320   3HD2  LEU  45          2HD2      LEU  45   0.626  -6.668  -6.668
  321    HA   PRO  46           HA       PRO  46   4.209  -4.064  -4.064
  322   1HB   PRO  46          2HB       PRO  46   1.766  -4.473  -4.473
  323   2HB   PRO  46          1HB       PRO  46   3.040  -5.706  -5.706
  324   1HG   PRO  46          2HG       PRO  46   0.586  -5.461  -5.461
  325   2HG   PRO  46          1HG       PRO  46   1.428  -6.906  -6.906
  326   1HD   PRO  46          2HD       PRO  46   1.583  -5.898  -5.898
  327   2HD   PRO  46          1HD       PRO  46   2.772  -6.989  -6.989
  328    H    VAL  47           H        VAL  47   3.472  -2.054  -2.054
  329    HA   VAL  47           HA       VAL  47   2.578  -0.060  -0.060
  330    HB   VAL  47           HB       VAL  47   2.763  -0.328  -0.328
  331   1HG1  VAL  47          2HG1      VAL  47   0.925   1.262   1.262
  332   2HG1  VAL  47          1HG1      VAL  47   2.036   2.178   2.178
  333   3HG1  VAL  47          3HG1      VAL  47   2.314   2.076   2.076
  334   1HG2  VAL  47          1HG2      VAL  47   4.295   1.265   1.265
  335   2HG2  VAL  47          3HG2      VAL  47   4.860  -0.197  -0.197
  336   3HG2  VAL  47          2HG2      VAL  47   4.622   1.286   1.286
  337    H    ASP  48           H        ASP  48   0.735  -2.455  -2.455
  338    HA   ASP  48           HA       ASP  48  -1.730  -0.979  -0.979
  339   1HB   ASP  48          2HB       ASP  48  -0.730  -3.769  -3.769
  340   2HB   ASP  48          1HB       ASP  48  -2.456  -3.560  -3.560
  341    H    ILE  49           H        ILE  49  -0.267  -2.968  -2.968
  342    HA   ILE  49           HA       ILE  49  -2.535  -2.962  -2.962
  343    HB   ILE  49           HB       ILE  49   0.410  -3.134  -3.134
  344   1HG1  ILE  49          2HG1      ILE  49   0.039  -4.668  -4.668
  345   2HG1  ILE  49          1HG1      ILE  49   0.099  -5.606  -5.606
  346   1HG2  ILE  49          2HG2      ILE  49  -1.843  -3.195  -3.195
  347   2HG2  ILE  49          1HG2      ILE  49  -1.517  -4.907  -4.907
  348   3HG2  ILE  49          3HG2      ILE  49  -0.274  -3.873  -3.873
  349   1HD1  ILE  49          3HD1      ILE  49  -2.501  -5.242  -5.242
  350   2HD1  ILE  49          2HD1      ILE  49  -2.272  -4.941  -4.941
  351   3HD1  ILE  49          1HD1      ILE  49  -1.797  -6.490  -6.490
  352    H    LEU  50           H        LEU  50   0.414  -1.035  -1.035
  353    HA   LEU  50           HA       LEU  50  -0.070   0.755   0.755
  354   1HB   LEU  50          2HB       LEU  50   1.343   1.304   1.304
  355   2HB   LEU  50          1HB       LEU  50   1.679   2.055   2.055
  356    HG   LEU  50           HG       LEU  50   2.243  -0.773  -0.773
  357   1HD1  LEU  50          2HD1      LEU  50   3.760   1.623   1.623
  358   2HD1  LEU  50          1HD1      LEU  50   4.280   0.424   0.424
  359   3HD1  LEU  50          3HD1      LEU  50   4.333   0.044   0.044
  360   1HD2  LEU  50          3HD2      LEU  50   1.562   0.226   0.226
  361   2HD2  LEU  50          2HD2      LEU  50   1.510  -1.418  -1.418
  362   3HD2  LEU  50          1HD2      LEU  50   3.039  -0.731  -0.731
  363    H    GLY  51           H        GLY  51  -1.484   0.469   0.469
  364   1HA   GLY  51          2HA       GLY  51  -2.497   3.239   3.239
  365   2HA   GLY  51          1HA       GLY  51  -2.863   1.994   1.994
  366    H    ARG  52           H        ARG  52  -3.515   0.013   0.013
  367    HA   ARG  52           HA       ARG  52  -6.289   0.901   0.901
  368   1HB   ARG  52          2HB       ARG  52  -4.942  -1.493  -1.493
  369   2HB   ARG  52          1HB       ARG  52  -5.697  -1.776  -1.776
  370   1HG   ARG  52          2HG       ARG  52  -7.790  -0.662  -0.662
  371   2HG   ARG  52          1HG       ARG  52  -6.999  -0.962  -0.962
  372   1HD   ARG  52          2HD       ARG  52  -6.891  -3.328  -3.328
  373   2HD   ARG  52          1HD       ARG  52  -8.562  -2.795  -2.795
  374    HE   ARG  52           HE       ARG  52  -7.698  -2.584  -2.584
  375   1HH1  ARG  52          1HH2      ARG  52  -8.462  -5.262  -5.262
  376   2HH1  ARG  52          2HH2      ARG  52  -7.429  -6.362  -6.362
  377   1HH2  ARG  52          2HH1      ARG  52  -5.662  -3.861  -3.861
  378   2HH2  ARG  52          1HH1      ARG  52  -5.844  -5.569  -5.569
  379    H    VAL  53           H        VAL  53  -3.740  -0.844  -0.844
  380    HA   VAL  53           HA       VAL  53  -4.810  -0.677  -0.677
  381    HB   VAL  53           HB       VAL  53  -2.025  -0.530  -0.530
  382   1HG1  VAL  53          3HG1      VAL  53  -2.117   0.784   0.784
  383   2HG1  VAL  53          2HG1      VAL  53  -2.633  -0.703  -0.703
  384   3HG1  VAL  53          1HG1      VAL  53  -1.047  -0.617  -0.617
  385   1HG2  VAL  53          2HG2      VAL  53  -3.522  -2.617  -2.617
  386   2HG2  VAL  53          1HG2      VAL  53  -1.892  -2.779  -2.779
  387   3HG2  VAL  53          3HG2      VAL  53  -3.271  -2.585  -2.585
  388    H    TRP  54           H        TRP  54  -2.773   1.774   1.774
  389    HA   TRP  54           HA       TRP  54  -2.842   3.739   3.739
  390   1HB   TRP  54          2HB       TRP  54  -1.376   3.886   3.886
  391   2HB   TRP  54          1HB       TRP  54  -2.759   3.935   3.935
  392    HD1  TRP  54           HD1      TRP  54  -4.368   6.110   6.110
  393    HE1  TRP  54           HE1      TRP  54  -3.825   8.534   8.534
  394    HE3  TRP  54           HE3      TRP  54   0.111   5.387   5.387
  395    HZ2  TRP  54           HZ2      TRP  54  -1.751   9.981   9.981
  396    HZ3  TRP  54           HZ3      TRP  54   1.353   7.302   7.302
  397    HH2  TRP  54           HH2      TRP  54   0.426   9.598   9.598
  398    H    GLU  55           H        GLU  55  -4.913   3.625   3.625
  399    HA   GLU  55           HA       GLU  55  -6.696   5.665   5.665
  400   1HB   GLU  55          2HB       GLU  55  -7.140   2.888   2.888
  401   2HB   GLU  55          1HB       GLU  55  -8.370   4.149   4.149
  402   1HG   GLU  55          2HG       GLU  55  -5.572   4.598   4.598
  403   2HG   GLU  55          1HG       GLU  55  -6.849   3.920   3.920
  404    H    LEU  56           H        LEU  56  -7.247   2.279   2.279
  405    HA   LEU  56           HA       LEU  56  -9.417   2.961   2.961
  406   1HB   LEU  56          2HB       LEU  56  -7.603   0.526   0.526
  407   2HB   LEU  56          1HB       LEU  56  -9.170   0.587   0.587
  408    HG   LEU  56           HG       LEU  56  -9.166   1.481   1.481
  409   1HD1  LEU  56          1HD1      LEU  56  -7.617  -0.681  -0.681
  410   2HD1  LEU  56          3HD1      LEU  56  -9.194  -1.470  -1.470
  411   3HD1  LEU  56          2HD1      LEU  56  -8.641  -0.511  -0.511
  412   1HD2  LEU  56          2HD2      LEU  56 -10.998   0.531   0.531
  413   2HD2  LEU  56          1HD2      LEU  56 -11.367   1.054   1.054
  414   3HD2  LEU  56          3HD2      LEU  56 -11.007  -0.642  -0.642
  415    H    SER  57           H        SER  57  -6.030   3.277   3.277
  416    HA   SER  57           HA       SER  57  -5.973   3.073   3.073
  417   1HB   SER  57          2HB       SER  57  -3.957   3.394   3.394
  418   2HB   SER  57          1HB       SER  57  -3.499   3.586   3.586
  419    HG   SER  57           HG       SER  57  -4.517   1.318   1.318
  420    H    ASP  58           H        ASP  58  -5.921   5.460   5.460
  421    HA   ASP  58           HA       ASP  58  -5.148   7.648   7.648
  422   1HB   ASP  58          2HB       ASP  58  -4.626   7.254   7.254
  423   2HB   ASP  58          1HB       ASP  58  -6.222   7.972   7.972
  424    H    ILE  59           H        ILE  59  -6.999   7.338   7.338
  425    HA   ILE  59           HA       ILE  59  -9.699   7.339   7.339
  426    HB   ILE  59           HB       ILE  59  -8.149   8.946   8.946
  427   1HG1  ILE  59          2HG1      ILE  59  -7.732   6.456   6.456
  428   2HG1  ILE  59          1HG1      ILE  59  -8.436   7.006   7.006
  429   1HG2  ILE  59          1HG2      ILE  59 -11.048   8.055   8.055
  430   2HG2  ILE  59          3HG2      ILE  59 -10.230   8.824   8.824
  431   3HG2  ILE  59          2HG2      ILE  59 -10.475   9.717   9.717
  432   1HD1  ILE  59          1HD1      ILE  59 -10.078   5.931   5.931
  433   2HD1  ILE  59          3HD1      ILE  59  -9.502   4.929   4.929
  434   3HD1  ILE  59          2HD1      ILE  59 -10.625   6.252   6.252
  435    H    ASP  60           H        ASP  60  -7.480  10.080  10.080
  436    HA   ASP  60           HA       ASP  60  -9.786  11.805  11.805
  437   1HB   ASP  60          2HB       ASP  60  -8.402  13.629  13.629
  438   2HB   ASP  60          1HB       ASP  60  -8.066  12.396  12.396
  439    H    HIS  61           H        HIS  61  -7.119  10.058  10.058
  440    HA   HIS  61           HA       HIS  61  -6.267   9.939   9.939
  441   1HB   HIS  61          2HB       HIS  61  -8.785  11.451  11.451
  442   2HB   HIS  61          1HB       HIS  61  -7.936  10.234  10.234
  443    HD1  HIS  61           HD1      HIS  61  -8.197   7.732   7.732
  444    HD2  HIS  61           HD2      HIS  61 -10.536  10.416  10.416
  445    HE1  HIS  61           HE1      HIS  61  -9.880   6.341   6.341
  446    H    ASP  62           H        ASP  62  -5.391  12.164  12.164
  447    HA   ASP  62           HA       ASP  62  -5.422  14.471  14.471
  448   1HB   ASP  62          2HB       ASP  62  -4.898  15.746  15.746
  449   2HB   ASP  62          1HB       ASP  62  -5.937  14.472  14.472
  450    H    GLY  63           H        GLY  63  -3.735  11.785  11.785
  451   1HA   GLY  63          2HA       GLY  63  -1.626  11.329  11.329
  452   2HA   GLY  63          1HA       GLY  63  -1.277  13.061  13.061
  453    H    MET  64           H        MET  64  -2.483  11.834  11.834
  454    HA   MET  64           HA       MET  64   0.218  11.344  11.344
  455   1HB   MET  64          2HB       MET  64  -1.579  13.668  13.668
  456   2HB   MET  64          1HB       MET  64  -0.861  13.012  13.012
  457   1HG   MET  64          2HG       MET  64   1.361  13.227  13.227
  458   2HG   MET  64          1HG       MET  64   0.708  13.711  13.711
  459   1HE   MET  64          2HE       MET  64   2.801  15.139  15.139
  460   2HE   MET  64          1HE       MET  64   2.598  16.713  16.713
  461   3HE   MET  64          3HE       MET  64   2.705  15.247  15.247
  462    H    LEU  65           H        LEU  65   0.062  10.385  10.385
  463    HA   LEU  65           HA       LEU  65  -2.631   9.185   9.185
  464   1HB   LEU  65          2HB       LEU  65   0.156   7.970   7.970
  465   2HB   LEU  65          1HB       LEU  65  -1.253   7.171   7.171
  466    HG   LEU  65           HG       LEU  65  -1.261   8.142   8.142
  467   1HD1  LEU  65          3HD1      LEU  65   0.172   5.837   5.837
  468   2HD1  LEU  65          2HD1      LEU  65  -0.828   5.457   5.457
  469   3HD1  LEU  65          1HD1      LEU  65   0.451   6.664   6.664
  470   1HD2  LEU  65          1HD2      LEU  65  -3.376   7.451   7.451
  471   2HD2  LEU  65          3HD2      LEU  65  -3.048   6.544   6.544
  472   3HD2  LEU  65          2HD2      LEU  65  -2.693   5.828   5.828
  473    H    ASP  66           H        ASP  66  -3.233   9.979   9.979
  474    HA   ASP  66           HA       ASP  66  -1.364  11.215  11.215
  475   1HB   ASP  66          2HB       ASP  66  -3.922  11.516  11.516
  476   2HB   ASP  66          1HB       ASP  66  -4.070  10.122  10.122
  477    H    ARG  67           H        ARG  67  -1.098  10.413  10.413
  478    HA   ARG  67           HA       ARG  67   0.226   7.995   7.995
  479   1HB   ARG  67          2HB       ARG  67   0.396   9.304   9.304
  480   2HB   ARG  67          1HB       ARG  67  -1.288   9.819   9.819
  481   1HG   ARG  67          2HG       ARG  67  -2.033   7.661   7.661
  482   2HG   ARG  67          1HG       ARG  67  -0.377   7.055   7.055
  483   1HD   ARG  67          2HD       ARG  67  -1.402   9.381   9.381
  484   2HD   ARG  67          1HD       ARG  67  -0.972   7.768   7.768
  485    HE   ARG  67           HE       ARG  67   1.331   8.354   8.354
  486   1HH1  ARG  67          1HH2      ARG  67  -0.404   9.814   9.814
  487   2HH1  ARG  67          2HH2      ARG  67   0.675  11.157  11.157
  488   1HH2  ARG  67          2HH1      ARG  67   2.573  10.368  10.368
  489   2HH2  ARG  67          1HH1      ARG  67   2.358  11.469  11.469
  490    H    ASP  68           H        ASP  68  -3.260   8.510   8.510
  491    HA   ASP  68           HA       ASP  68  -3.771   5.669   5.669
  492   1HB   ASP  68          2HB       ASP  68  -5.746   7.855   7.855
  493   2HB   ASP  68          1HB       ASP  68  -6.028   6.417   6.417
  494    H    GLU  69           H        GLU  69  -3.769   7.846   7.846
  495    HA   GLU  69           HA       GLU  69  -5.308   6.146   6.146
  496   1HB   GLU  69          2HB       GLU  69  -4.523   8.754   8.754
  497   2HB   GLU  69          1HB       GLU  69  -3.344   8.104   8.104
  498   1HG   GLU  69          2HG       GLU  69  -4.989   7.435   7.435
  499   2HG   GLU  69          1HG       GLU  69  -6.255   7.443   7.443
  500    H    PHE  70           H        PHE  70  -1.874   6.742   6.742
  501    HA   PHE  70           HA       PHE  70  -0.832   5.085   5.085
  502   1HB   PHE  70          2HB       PHE  70   0.341   6.881   6.881
  503   2HB   PHE  70          1HB       PHE  70   0.356   5.765   5.765
  504    HD1  PHE  70           HD2      PHE  70   1.393   3.434   3.434
  505    HD2  PHE  70           HD1      PHE  70   2.034   6.783   6.783
  506    HE1  PHE  70           HE2      PHE  70   3.414   2.335   2.335
  507    HE2  PHE  70           HE1      PHE  70   4.056   5.682   5.682
  508    HZ   PHE  70           HZ       PHE  70   4.742   3.460   3.460
  509    H    ALA  71           H        ALA  71  -2.338   4.430   4.430
  510    HA   ALA  71           HA       ALA  71  -1.132   1.826   1.826
  511   1HB   ALA  71          2HB       ALA  71  -2.425   3.560   3.560
  512   2HB   ALA  71          1HB       ALA  71  -3.849   2.686   2.686
  513   3HB   ALA  71          3HB       ALA  71  -2.583   1.832   1.832
  514    H    VAL  72           H        VAL  72  -4.165   2.978   2.978
  515    HA   VAL  72           HA       VAL  72  -5.334   0.440   0.440
  516    HB   VAL  72           HB       VAL  72  -5.495   3.080   3.080
  517   1HG1  VAL  72          1HG1      VAL  72  -6.605   0.574   0.574
  518   2HG1  VAL  72          3HG1      VAL  72  -7.919   1.498   1.498
  519   3HG1  VAL  72          2HG1      VAL  72  -7.062   2.139   2.139
  520   1HG2  VAL  72          1HG2      VAL  72  -5.971   3.119   3.119
  521   2HG2  VAL  72          3HG2      VAL  72  -7.324   3.621   3.621
  522   3HG2  VAL  72          2HG2      VAL  72  -7.302   2.004   2.004
  523    H    ALA  73           H        ALA  73  -2.785   2.239   2.239
  524    HA   ALA  73           HA       ALA  73  -2.844   0.530   0.530
  525   1HB   ALA  73          2HB       ALA  73  -2.038   3.138   3.138
  526   2HB   ALA  73          1HB       ALA  73  -0.559   2.281   2.281
  527   3HB   ALA  73          3HB       ALA  73  -1.901   2.385   2.385
  528    H    MET  74           H        MET  74  -1.550   0.244   0.244
  529    HA   MET  74           HA       MET  74   0.997  -1.020  -1.020
  530   1HB   MET  74          2HB       MET  74  -0.474  -0.375  -0.375
  531   2HB   MET  74          1HB       MET  74   0.883  -1.503  -1.503
  532   1HG   MET  74          2HG       MET  74   1.204   1.128   1.128
  533   2HG   MET  74          1HG       MET  74   1.317   1.069   1.069
  534   1HE   MET  74          1HE       MET  74   2.467   0.707   0.707
  535   2HE   MET  74          3HE       MET  74   4.222   0.751   0.751
  536   3HE   MET  74          2HE       MET  74   3.413  -0.772  -0.772
  537    H    PHE  75           H        PHE  75  -2.069  -2.049  -2.049
  538    HA   PHE  75           HA       PHE  75  -1.320  -4.867  -4.867
  539   1HB   PHE  75          2HB       PHE  75  -3.338  -5.181  -5.181
  540   2HB   PHE  75          1HB       PHE  75  -2.940  -3.523  -3.523
  541    HD1  PHE  75           HD1      PHE  75  -4.908  -5.567  -5.567
  542    HD2  PHE  75           HD2      PHE  75  -4.369  -1.739  -1.739
  543    HE1  PHE  75           HE1      PHE  75  -7.035  -4.780  -4.780
  544    HE2  PHE  75           HE2      PHE  75  -6.486  -0.953  -0.953
  545    HZ   PHE  75           HZ       PHE  75  -7.827  -2.473  -2.473
  546    H    LEU  76           H        LEU  76  -2.868  -2.513  -2.513
  547    HA   LEU  76           HA       LEU  76  -4.195  -4.353  -4.353
  548   1HB   LEU  76          2HB       LEU  76  -3.497  -1.472  -1.472
  549   2HB   LEU  76          1HB       LEU  76  -3.738  -2.089  -2.089
  550    HG   LEU  76           HG       LEU  76  -5.701  -2.411  -2.411
  551   1HD1  LEU  76          3HD1      LEU  76  -5.210  -0.114  -0.114
  552   2HD1  LEU  76          2HD1      LEU  76  -6.426  -0.872  -0.872
  553   3HD1  LEU  76          1HD1      LEU  76  -6.783  -0.542  -0.542
  554   1HD2  LEU  76          3HD2      LEU  76  -5.564  -3.397  -3.397
  555   2HD2  LEU  76          2HD2      LEU  76  -6.162  -4.220  -4.220
  556   3HD2  LEU  76          1HD2      LEU  76  -7.141  -2.975  -2.975
  557    H    VAL  77           H        VAL  77  -0.961  -3.161  -3.161
  558    HA   VAL  77           HA       VAL  77  -0.036  -4.113  -4.113
  559    HB   VAL  77           HB       VAL  77   1.234  -2.710  -2.710
  560   1HG1  VAL  77          1HG1      VAL  77   2.445  -3.702  -3.702
  561   2HG1  VAL  77          3HG1      VAL  77   3.157  -2.368  -2.368
  562   3HG1  VAL  77          2HG1      VAL  77   3.031  -3.969  -3.969
  563   1HG2  VAL  77          3HG2      VAL  77  -0.382  -1.486  -1.486
  564   2HG2  VAL  77          2HG2      VAL  77   1.232  -0.782  -0.782
  565   3HG2  VAL  77          1HG2      VAL  77   0.775  -1.748  -1.748
  566    H    TYR  78           H        TYR  78   0.997  -4.579  -4.579
  567    HA   TYR  78           HA       TYR  78   2.600  -6.820  -6.820
  568   1HB   TYR  78          2HB       TYR  78   0.954  -5.563  -5.563
  569   2HB   TYR  78          1HB       TYR  78   1.330  -7.261  -7.261
  570    HD1  TYR  78           HD2      TYR  78   3.929  -7.720  -7.720
  571    HD2  TYR  78           HD1      TYR  78   2.427  -4.189  -4.189
  572    HE1  TYR  78           HE2      TYR  78   6.240  -7.089  -7.089
  573    HE2  TYR  78           HE1      TYR  78   4.732  -3.558  -3.558
  574    HH   TYR  78           HH       TYR  78   6.950  -4.853  -4.853
  575    H    CYS  79           H        CYS  79  -0.870  -6.695  -6.695
  576    HA   CYS  79           HA       CYS  79  -1.200  -9.603  -9.603
  577   1HB   CYS  79          2HB       CYS  79  -2.891  -7.189  -7.189
  578   2HB   CYS  79          1HB       CYS  79  -3.551  -8.763  -8.763
  579    HG   CYS  79           HG       CYS  79  -3.422  -9.506  -9.506
  580    H    ALA  80           H        ALA  80  -0.362  -7.442  -7.442
  581    HA   ALA  80           HA       ALA  80  -1.366  -9.211  -9.211
  582   1HB   ALA  80          2HB       ALA  80   0.003  -6.542  -6.542
  583   2HB   ALA  80          1HB       ALA  80  -0.029  -7.370  -7.370
  584   3HB   ALA  80          3HB       ALA  80  -1.540  -6.930  -6.930
  585    H    LEU  81           H        LEU  81   1.355  -8.960  -8.960
  586    HA   LEU  81           HA       LEU  81   3.290 -10.018 -10.018
  587   1HB   LEU  81          2HB       LEU  81   3.315  -9.371  -9.371
  588   2HB   LEU  81          1HB       LEU  81   4.710 -10.064 -10.064
  589    HG   LEU  81           HG       LEU  81   4.432  -8.127  -8.127
  590   1HD1  LEU  81          1HD1      LEU  81   2.639  -7.287  -7.287
  591   2HD1  LEU  81          3HD1      LEU  81   3.407  -6.102  -6.102
  592   3HD1  LEU  81          2HD1      LEU  81   2.296  -7.299  -7.299
  593   1HD2  LEU  81          2HD2      LEU  81   6.167  -8.386  -8.386
  594   2HD2  LEU  81          1HD2      LEU  81   5.886  -6.751  -6.751
  595   3HD2  LEU  81          3HD2      LEU  81   5.153  -7.275  -7.275
  596    H    GLU  82           H        GLU  82   1.558 -11.078 -11.078
  597    HA   GLU  82           HA       GLU  82   2.594 -13.777 -13.777
  598   1HB   GLU  82          2HB       GLU  82   0.368 -12.293 -12.293
  599   2HB   GLU  82          1HB       GLU  82   0.526 -14.039 -14.039
  600   1HG   GLU  82          2HG       GLU  82   2.865 -13.731 -13.731
  601   2HG   GLU  82          1HG       GLU  82   2.671 -11.984 -11.984
  602    H    LYS  83           H        LYS  83  -0.617 -12.417 -12.417
  603    HA   LYS  83           HA       LYS  83  -0.968 -13.964 -13.964
  604   1HB   LYS  83          2HB       LYS  83  -0.890 -15.658 -15.658
  605   2HB   LYS  83          1HB       LYS  83  -2.536 -15.109 -15.109
  606   1HG   LYS  83          2HG       LYS  83  -3.231 -16.546 -16.546
  607   2HG   LYS  83          1HG       LYS  83  -2.388 -15.551 -15.551
  608   1HD   LYS  83          2HD       LYS  83  -0.457 -17.171 -17.171
  609   2HD   LYS  83          1HD       LYS  83  -1.765 -18.210 -18.210
  610   1HE   LYS  83          2HE       LYS  83  -0.325 -16.182 -16.182
  611   2HE   LYS  83          1HE       LYS  83   0.016 -17.925 -17.925
  612   1HZ   LYS  83          1HZ       LYS  83  -2.513 -18.147 -18.147
  613   2HZ   LYS  83          3HZ       LYS  83  -2.461 -16.535 -16.535
  614   3HZ   LYS  83          2HZ       LYS  83  -1.591 -17.729 -17.729
  615    H    GLU  84           H        GLU  84  -2.428 -12.255 -12.255
  616    HA   GLU  84           HA       GLU  84  -5.092 -12.021 -12.021
  617   1HB   GLU  84          2HB       GLU  84  -3.368 -10.595 -10.595
  618   2HB   GLU  84          1HB       GLU  84  -4.965  -9.953  -9.953
  619   1HG   GLU  84          2HG       GLU  84  -5.420 -11.395 -11.395
  620   2HG   GLU  84          1HG       GLU  84  -5.772 -12.405 -12.405
  621    HA   PRO  85           HA       PRO  85  -3.919  -9.110  -9.110
  622   1HB   PRO  85          2HB       PRO  85  -6.307  -9.238  -9.238
  623   2HB   PRO  85          1HB       PRO  85  -5.048 -10.476 -10.476
  624   1HG   PRO  85          2HG       PRO  85  -7.548 -10.529 -10.529
  625   2HG   PRO  85          1HG       PRO  85  -6.751 -11.831 -11.831
  626   1HD   PRO  85          2HD       PRO  85  -6.603 -11.511 -11.511
  627   2HD   PRO  85          1HD       PRO  85  -5.387 -12.364 -12.364
  628    H    VAL  86           H        VAL  86  -5.473  -7.182  -7.182
  629    HA   VAL  86           HA       VAL  86  -6.907  -5.949  -5.949
  630    HB   VAL  86           HB       VAL  86  -4.838  -4.783  -4.783
  631   1HG1  VAL  86          2HG1      VAL  86  -6.914  -3.502  -3.502
  632   2HG1  VAL  86          1HG1      VAL  86  -5.294  -2.808  -2.808
  633   3HG1  VAL  86          3HG1      VAL  86  -6.137  -2.907  -2.907
  634   1HG2  VAL  86          3HG2      VAL  86  -4.455  -6.171  -6.171
  635   2HG2  VAL  86          2HG2      VAL  86  -3.388  -4.871  -4.871
  636   3HG2  VAL  86          1HG2      VAL  86  -4.654  -4.545  -4.545
  637    HA   PRO  87           HA       PRO  87  -9.856  -5.448  -5.448
  638   1HB   PRO  87          2HB       PRO  87 -11.946  -4.698  -4.698
  639   2HB   PRO  87          1HB       PRO  87 -11.421  -6.384  -6.384
  640   1HG   PRO  87          2HG       PRO  87 -11.019  -4.496  -4.496
  641   2HG   PRO  87          1HG       PRO  87 -11.135  -6.260  -6.260
  642   1HD   PRO  87          2HD       PRO  87  -8.784  -4.740  -4.740
  643   2HD   PRO  87          1HD       PRO  87  -8.891  -6.489  -6.489
  644    H    MET  88           H        MET  88 -11.768  -3.467  -3.467
  645    HA   MET  88           HA       MET  88 -10.152  -0.942  -0.942
  646   1HB   MET  88          2HB       MET  88 -12.287  -1.799  -1.799
  647   2HB   MET  88          1HB       MET  88 -11.560  -0.194  -0.194
  648   1HG   MET  88          2HG       MET  88  -9.313  -1.329  -1.329
  649   2HG   MET  88          1HG       MET  88 -10.187  -2.822  -2.822
  650   1HE   MET  88          1HE       MET  88 -11.992  -3.036  -3.036
  651   2HE   MET  88          3HE       MET  88 -12.310  -2.219  -2.219
  652   3HE   MET  88          2HE       MET  88 -10.954  -3.334  -3.334
  653    H    SER  89           H        SER  89 -12.400  -2.405  -2.405
  654    HA   SER  89           HA       SER  89 -14.221  -0.029  -0.029
  655   1HB   SER  89          2HB       SER  89 -14.602  -2.949  -2.949
  656   2HB   SER  89          1HB       SER  89 -15.788  -1.727  -1.727
  657    HG   SER  89           HG       SER  89 -16.327  -2.496  -2.496
  658    H    LEU  90           H        LEU  90 -13.129   1.165   1.165
  659    HA   LEU  90           HA       LEU  90 -12.013   0.276   0.276
  660   1HB   LEU  90          2HB       LEU  90 -12.594   2.682   2.682
  661   2HB   LEU  90          1HB       LEU  90 -13.334   2.845   2.845
  662    HG   LEU  90           HG       LEU  90 -10.462   2.017   2.017
  663   1HD1  LEU  90          2HD1      LEU  90 -11.605   4.566   4.566
  664   2HD1  LEU  90          1HD1      LEU  90 -10.914   4.512   4.512
  665   3HD1  LEU  90          3HD1      LEU  90  -9.893   4.205   4.205
  666   1HD2  LEU  90          1HD2      LEU  90 -11.890   1.321   1.321
  667   2HD2  LEU  90          3HD2      LEU  90 -10.223   1.871   1.871
  668   3HD2  LEU  90          2HD2      LEU  90 -11.556   2.984   2.984
  669    HA   PRO  91           HA       PRO  91 -16.058  -0.895  -0.895
  670   1HB   PRO  91          2HB       PRO  91 -15.085  -2.498  -2.498
  671   2HB   PRO  91          1HB       PRO  91 -15.251  -3.045  -3.045
  672   1HG   PRO  91          2HG       PRO  91 -12.837  -2.168  -2.168
  673   2HG   PRO  91          1HG       PRO  91 -13.011  -3.424  -3.424
  674   1HD   PRO  91          2HD       PRO  91 -11.974  -0.915  -0.915
  675   2HD   PRO  91          1HD       PRO  91 -12.692  -1.956  -1.956
  676    HA   PRO  92           HA       PRO  92 -16.241   1.835   1.835
  677   1HB   PRO  92          2HB       PRO  92 -17.991   0.607   0.607
  678   2HB   PRO  92          1HB       PRO  92 -18.498   1.364   1.364
  679   1HG   PRO  92          2HG       PRO  92 -18.052  -1.507  -1.507
  680   2HG   PRO  92          1HG       PRO  92 -19.283  -0.755  -0.755
  681   1HD   PRO  92          2HD       PRO  92 -17.047  -1.996  -1.996
  682   2HD   PRO  92          1HD       PRO  92 -17.915  -0.704  -0.704
  683    H    ALA  93           H        ALA  93 -15.057  -1.340  -1.340
  684    HA   ALA  93           HA       ALA  93 -14.333  -0.925  -0.925
  685   1HB   ALA  93          3HB       ALA  93 -14.982  -3.103  -3.103
  686   2HB   ALA  93          2HB       ALA  93 -13.273  -3.098  -3.098
  687   3HB   ALA  93          1HB       ALA  93 -13.746  -3.190  -3.190
  688    H    LEU  94           H        LEU  94 -13.222   0.455   0.455
  689    HA   LEU  94           HA       LEU  94 -10.334   0.205   0.205
  690   1HB   LEU  94          2HB       LEU  94 -11.887   0.375   0.375
  691   2HB   LEU  94          1HB       LEU  94 -10.457   1.404   1.404
  692    HG   LEU  94           HG       LEU  94  -9.787  -0.727  -0.727
  693   1HD1  LEU  94          2HD1      LEU  94  -8.751   0.341   0.341
  694   2HD1  LEU  94          1HD1      LEU  94  -8.691  -1.416  -1.416
  695   3HD1  LEU  94          3HD1      LEU  94  -7.900  -0.604  -0.604
  696   1HD2  LEU  94          1HD2      LEU  94 -11.710  -1.683  -1.683
  697   2HD2  LEU  94          3HD2      LEU  94 -11.038  -2.513  -2.513
  698   3HD2  LEU  94          2HD2      LEU  94 -10.182  -2.559  -2.559
  699    H    VAL  95           H        VAL  95 -12.861   2.196   2.196
  700    HA   VAL  95           HA       VAL  95 -11.187   4.669   4.669
  701    HB   VAL  95           HB       VAL  95 -13.180   4.576   4.576
  702   1HG1  VAL  95          1HG1      VAL  95 -14.310   3.320   3.320
  703   2HG1  VAL  95          3HG1      VAL  95 -15.194   4.831   4.831
  704   3HG1  VAL  95          2HG1      VAL  95 -15.104   3.666   3.666
  705   1HG2  VAL  95          1HG2      VAL  95 -13.029   6.511   6.511
  706   2HG2  VAL  95          3HG2      VAL  95 -12.775   6.796   6.796
  707   3HG2  VAL  95          2HG2      VAL  95 -14.411   6.601   6.601
  708    HA   PRO  96           HA       PRO  96 -11.451   4.565   4.565
  709   1HB   PRO  96          2HB       PRO  96 -10.049   6.884   6.884
  710   2HB   PRO  96          1HB       PRO  96  -9.266   5.339   5.339
  711   1HG   PRO  96          2HG       PRO  96  -9.894   7.649   7.649
  712   2HG   PRO  96          1HG       PRO  96  -8.457   6.614   6.614
  713   1HD   PRO  96          2HD       PRO  96 -10.439   6.331   6.331
  714   2HD   PRO  96          1HD       PRO  96  -9.442   4.974   4.974
  715    HA   PRO  97           HA       PRO  97 -14.788   7.334   7.334
  716   1HB   PRO  97          2HB       PRO  97 -14.529   7.749   7.749
  717   2HB   PRO  97          1HB       PRO  97 -15.104   6.217   6.217
  718   1HG   PRO  97          2HG       PRO  97 -12.418   6.926   6.926
  719   2HG   PRO  97          1HG       PRO  97 -13.317   5.406   5.406
  720   1HD   PRO  97          2HD       PRO  97 -11.261   5.830   5.830
  721   2HD   PRO  97          1HD       PRO  97 -12.563   4.649   4.649
  722    H    SER  98           H        SER  98 -11.614   8.338   8.338
  723    HA   SER  98           HA       SER  98 -11.933  10.960  10.960
  724   1HB   SER  98          2HB       SER  98  -9.658  11.100  11.100
  725   2HB   SER  98          1HB       SER  98  -9.853   9.355   9.355
  726    HG   SER  98           HG       SER  98  -9.549   9.472   9.472
  727    H    LYS  99           H        LYS  99 -12.294   9.623   9.623
  728    HA   LYS  99           HA       LYS  99 -12.504  12.304  12.304
  729   1HB   LYS  99          2HB       LYS  99 -12.927   9.502   9.502
  730   2HB   LYS  99          1HB       LYS  99 -12.734  10.973  10.973
  731   1HG   LYS  99          2HG       LYS  99 -10.570  10.700  10.700
  732   2HG   LYS  99          1HG       LYS  99 -10.682   9.270   9.270
  733   1HD   LYS  99          2HD       LYS  99 -10.662  10.702  10.702
  734   2HD   LYS  99          1HD       LYS  99 -10.555  12.136  12.136
  735   1HE   LYS  99          2HE       LYS  99  -8.488   9.936   9.936
  736   2HE   LYS  99          1HE       LYS  99  -8.298  11.669  11.669
  737   1HZ   LYS  99          2HZ       LYS  99  -9.047  11.920  11.920
  738   2HZ   LYS  99          1HZ       LYS  99  -8.534  10.308  10.308
  739   3HZ   LYS  99          3HZ       LYS  99  -7.433  11.503  11.503
  740    H    ARG 100           H        ARG 100 -14.478  10.640  10.640
  741    HA   ARG 100           HA       ARG 100 -16.967  11.202  11.202
  742   1HB   ARG 100          2HB       ARG 100 -16.697   9.539   9.539
  743   2HB   ARG 100          1HB       ARG 100 -17.957   9.456   9.456
  744   1HG   ARG 100          2HG       ARG 100 -16.056   8.816   8.816
  745   2HG   ARG 100          1HG       ARG 100 -15.099   8.510   8.510
  746   1HD   ARG 100          2HD       ARG 100 -16.424   6.706   6.706
  747   2HD   ARG 100          1HD       ARG 100 -17.846   7.303   7.303
  748    HE   ARG 100           HE       ARG 100 -15.430   6.137   6.137
  749   1HH1  ARG 100          1HH2      ARG 100 -17.284   7.996   7.996
  750   2HH1  ARG 100          2HH2      ARG 100 -18.320   6.847   6.847
  751   1HH2  ARG 100          2HH1      ARG 100 -17.407   4.219   4.219
  752   2HH2  ARG 100          1HH1      ARG 100 -18.389   4.710   4.710

  Start of MODEL   15
    1    HA   PRO   6           HA       PRO   6 -14.292  -1.522  -1.522
    2   1HB   PRO   6          2HB       PRO   6 -12.325  -3.391  -3.391
    3   2HB   PRO   6          1HB       PRO   6 -13.484  -3.434  -3.434
    4   1HG   PRO   6          2HG       PRO   6 -13.408  -5.048  -5.048
    5   2HG   PRO   6          1HG       PRO   6 -13.954  -5.492  -5.492
    6   1HD   PRO   6          2HD       PRO   6 -15.615  -4.843  -4.843
    7   2HD   PRO   6          1HD       PRO   6 -16.078  -4.801  -4.801
    8    H    TRP   7           H        TRP   7 -11.762  -1.518  -1.518
    9    HA   TRP   7           HA       TRP   7 -12.153  -0.585  -0.585
   10   1HB   TRP   7          2HB       TRP   7 -11.188   0.965   0.965
   11   2HB   TRP   7          1HB       TRP   7  -9.984  -0.228  -0.228
   12    HD1  TRP   7           HD1      TRP   7 -10.930   0.391   0.391
   13    HE1  TRP   7           HE1      TRP   7  -8.865   1.307   1.307
   14    HE3  TRP   7           HE3      TRP   7  -7.742   1.022   1.022
   15    HZ2  TRP   7           HZ2      TRP   7  -6.210   2.192   2.192
   16    HZ3  TRP   7           HZ3      TRP   7  -5.452   1.902   1.902
   17    HH2  TRP   7           HH2      TRP   7  -4.684   2.487   2.487
   18    H    ALA   8           H        ALA   8 -11.262  -1.699  -1.699
   19    HA   ALA   8           HA       ALA   8 -10.421  -4.309  -4.309
   20   1HB   ALA   8          1HB       ALA   8  -9.671  -1.895  -1.895
   21   2HB   ALA   8          3HB       ALA   8  -8.977  -3.470  -3.470
   22   3HB   ALA   8          2HB       ALA   8 -10.725  -3.241  -3.241
   23    H    VAL   9           H        VAL   9  -8.407  -1.513  -1.513
   24    HA   VAL   9           HA       VAL   9  -6.109  -3.362  -3.362
   25    HB   VAL   9           HB       VAL   9  -6.363  -0.386  -0.386
   26   1HG1  VAL   9          3HG1      VAL   9  -4.518  -1.283  -1.283
   27   2HG1  VAL   9          2HG1      VAL   9  -3.712  -1.762  -1.762
   28   3HG1  VAL   9          1HG1      VAL   9  -4.119  -0.070  -0.070
   29   1HG2  VAL   9          1HG2      VAL   9  -5.833  -2.773  -2.773
   30   2HG2  VAL   9          3HG2      VAL   9  -6.225  -1.138  -1.138
   31   3HG2  VAL   9          2HG2      VAL   9  -4.554  -1.570  -1.570
   32    H    LYS  10           H        LYS  10  -5.218  -3.469  -3.469
   33    HA   LYS  10           HA       LYS  10  -6.773  -2.174  -2.174
   34   1HB   LYS  10          2HB       LYS  10  -5.514  -4.706  -4.706
   35   2HB   LYS  10          1HB       LYS  10  -4.783  -4.002  -4.002
   36   1HG   LYS  10          2HG       LYS  10  -7.405  -3.473  -3.473
   37   2HG   LYS  10          1HG       LYS  10  -7.550  -4.972  -4.972
   38   1HD   LYS  10          2HD       LYS  10  -5.539  -5.679  -5.679
   39   2HD   LYS  10          1HD       LYS  10  -6.339  -4.497  -4.497
   40   1HE   LYS  10          2HE       LYS  10  -8.458  -5.979  -5.979
   41   2HE   LYS  10          1HE       LYS  10  -7.208  -7.194  -7.194
   42   1HZ   LYS  10          3HZ       LYS  10  -7.648  -5.041  -5.041
   43   2HZ   LYS  10          2HZ       LYS  10  -8.757  -6.327  -6.327
   44   3HZ   LYS  10          1HZ       LYS  10  -7.112  -6.630  -6.630
   45    HA   PRO  11           HA       PRO  11  -3.453   0.371   0.371
   46   1HB   PRO  11          2HB       PRO  11  -2.849  -0.407  -0.407
   47   2HB   PRO  11          1HB       PRO  11  -4.326   0.485   0.485
   48   1HG   PRO  11          2HG       PRO  11  -3.948  -2.428  -2.428
   49   2HG   PRO  11          1HG       PRO  11  -5.278  -1.364  -1.364
   50   1HD   PRO  11          2HD       PRO  11  -5.448  -3.058  -3.058
   51   2HD   PRO  11          1HD       PRO  11  -6.326  -1.517  -1.517
   52    H    GLU  12           H        GLU  12  -2.873  -3.058  -3.058
   53    HA   GLU  12           HA       GLU  12   0.003  -2.892  -2.892
   54   1HB   GLU  12          2HB       GLU  12  -0.183  -5.345  -5.345
   55   2HB   GLU  12          1HB       GLU  12  -1.417  -4.742  -4.742
   56   1HG   GLU  12          2HG       GLU  12  -3.116  -4.866  -4.866
   57   2HG   GLU  12          1HG       GLU  12  -1.919  -5.184  -5.184
   58    H    ASP  13           H        ASP  13  -2.267  -3.047  -3.047
   59    HA   ASP  13           HA       ASP  13  -0.201  -3.738  -3.738
   60   1HB   ASP  13          2HB       ASP  13  -3.111  -2.882  -2.882
   61   2HB   ASP  13          1HB       ASP  13  -2.141  -3.519  -3.519
   62    H    LYS  14           H        LYS  14  -2.091  -0.930  -0.930
   63    HA   LYS  14           HA       LYS  14  -0.955   0.869   0.869
   64   1HB   LYS  14          2HB       LYS  14  -3.192   1.062   1.062
   65   2HB   LYS  14          1HB       LYS  14  -2.284   1.506   1.506
   66   1HG   LYS  14          2HG       LYS  14  -1.173   3.180   3.180
   67   2HG   LYS  14          1HG       LYS  14  -2.841   3.089   3.089
   68   1HD   LYS  14          2HD       LYS  14  -2.831   3.340   3.340
   69   2HD   LYS  14          1HD       LYS  14  -1.837   4.619   4.619
   70   1HE   LYS  14          2HE       LYS  14  -3.779   5.038   5.038
   71   2HE   LYS  14          1HE       LYS  14  -4.752   4.015   4.015
   72   1HZ   LYS  14          2HZ       LYS  14  -3.140   5.886   5.886
   73   2HZ   LYS  14          1HZ       LYS  14  -4.210   6.669   6.669
   74   3HZ   LYS  14          3HZ       LYS  14  -4.811   5.597   5.597
   75    H    ALA  15           H        ALA  15   0.042  -0.447  -0.447
   76    HA   ALA  15           HA       ALA  15   1.822   1.714   1.714
   77   1HB   ALA  15          1HB       ALA  15   0.826   0.007   0.007
   78   2HB   ALA  15          3HB       ALA  15   1.759  -1.243  -1.243
   79   3HB   ALA  15          2HB       ALA  15   2.588   0.015   0.015
   80    H    LYS  16           H        LYS  16   2.045  -1.172  -1.172
   81    HA   LYS  16           HA       LYS  16   4.961  -0.895  -0.895
   82   1HB   LYS  16          2HB       LYS  16   4.814  -3.025  -3.025
   83   2HB   LYS  16          1HB       LYS  16   3.323  -3.008  -3.008
   84   1HG   LYS  16          2HG       LYS  16   2.377  -3.608  -3.608
   85   2HG   LYS  16          1HG       LYS  16   2.460  -1.880  -1.880
   86   1HD   LYS  16          2HD       LYS  16   3.579  -2.559  -2.559
   87   2HD   LYS  16          1HD       LYS  16   4.950  -2.599  -2.599
   88   1HE   LYS  16          2HE       LYS  16   4.342  -5.030  -5.030
   89   2HE   LYS  16          1HE       LYS  16   3.226  -4.930  -4.930
   90   1HZ   LYS  16          2HZ       LYS  16   5.233  -3.900  -3.900
   91   2HZ   LYS  16          1HZ       LYS  16   6.161  -4.621  -4.621
   92   3HZ   LYS  16          3HZ       LYS  16   5.203  -5.584  -5.584
   93    H    TYR  17           H        TYR  17   2.044   0.154   0.154
   94    HA   TYR  17           HA       TYR  17   3.208   0.790   0.790
   95   1HB   TYR  17          2HB       TYR  17   0.668   1.688   1.688
   96   2HB   TYR  17          1HB       TYR  17   1.010   1.918   1.918
   97    HD1  TYR  17           HD2      TYR  17   2.546  -0.993  -0.993
   98    HD2  TYR  17           HD1      TYR  17  -1.427   0.508   0.508
   99    HE1  TYR  17           HE2      TYR  17   1.621  -3.242  -3.242
  100    HE2  TYR  17           HE1      TYR  17  -2.359  -1.739  -1.739
  101    HH   TYR  17           HH       TYR  17  -1.754  -3.992  -3.992
  102    H    ASP  18           H        ASP  18   2.579   2.374   2.374
  103    HA   ASP  18           HA       ASP  18   3.129   5.083   5.083
  104   1HB   ASP  18          2HB       ASP  18   2.587   3.518   3.518
  105   2HB   ASP  18          1HB       ASP  18   3.783   4.777   4.777
  106    H    ALA  19           H        ALA  19   5.163   2.352   2.352
  107    HA   ALA  19           HA       ALA  19   7.573   3.966   3.966
  108   1HB   ALA  19          2HB       ALA  19   6.684   1.290   1.290
  109   2HB   ALA  19          1HB       ALA  19   8.030   1.219   1.219
  110   3HB   ALA  19          3HB       ALA  19   8.260   1.949   1.949
  111    H    ILE  20           H        ILE  20   5.988   2.252   2.252
  112    HA   ILE  20           HA       ILE  20   8.116   2.657   2.657
  113    HB   ILE  20           HB       ILE  20   5.265   1.651   1.651
  114   1HG1  ILE  20          2HG1      ILE  20   7.684   0.167   0.167
  115   2HG1  ILE  20          1HG1      ILE  20   7.402   0.330   0.330
  116   1HG2  ILE  20          2HG2      ILE  20   5.663   2.874   2.874
  117   2HG2  ILE  20          1HG2      ILE  20   7.031   1.810   1.810
  118   3HG2  ILE  20          3HG2      ILE  20   5.401   1.148   1.148
  119   1HD1  ILE  20          2HD1      ILE  20   4.970  -0.451  -0.451
  120   2HD1  ILE  20          1HD1      ILE  20   5.725  -1.074  -1.074
  121   3HD1  ILE  20          3HD1      ILE  20   6.258  -1.653  -1.653
  122    H    PHE  21           H        PHE  21   5.035   4.078   4.078
  123    HA   PHE  21           HA       PHE  21   4.797   5.978   5.978
  124   1HB   PHE  21          2HB       PHE  21   2.796   5.667   5.667
  125   2HB   PHE  21          1HB       PHE  21   3.590   5.346   5.346
  126    HD1  PHE  21           HD2      PHE  21   4.697   7.367   7.367
  127    HD2  PHE  21           HD1      PHE  21   1.768   7.742   7.742
  128    HE1  PHE  21           HE2      PHE  21   4.189   9.672   9.672
  129    HE2  PHE  21           HE1      PHE  21   1.258  10.048  10.048
  130    HZ   PHE  21           HZ       PHE  21   2.474  11.011  11.011
  131    H    ASP  22           H        ASP  22   6.330   5.975   5.975
  132    HA   ASP  22           HA       ASP  22   7.142   8.802   8.802
  133   1HB   ASP  22          2HB       ASP  22   6.468   8.085   8.085
  134   2HB   ASP  22          1HB       ASP  22   7.434   6.609   6.609
  135    H    SER  23           H        SER  23   8.248   5.913   5.913
  136    HA   SER  23           HA       SER  23  11.144   6.498   6.498
  137   1HB   SER  23          2HB       SER  23   9.442   4.233   4.233
  138   2HB   SER  23          1HB       SER  23  10.593   4.394   4.394
  139    HG   SER  23           HG       SER  23  10.992   3.763   3.763
  140    H    LEU  24           H        LEU  24   8.636   7.557   7.557
  141    HA   LEU  24           HA       LEU  24  10.276   7.919   7.919
  142   1HB   LEU  24          2HB       LEU  24   7.400   8.639   8.639
  143   2HB   LEU  24          1HB       LEU  24   8.289   7.716   7.716
  144    HG   LEU  24           HG       LEU  24   7.411   6.659   6.659
  145   1HD1  LEU  24          3HD1      LEU  24   5.960   7.027   7.027
  146   2HD1  LEU  24          2HD1      LEU  24   6.195   5.298   5.298
  147   3HD1  LEU  24          1HD1      LEU  24   5.407   6.278   6.278
  148   1HD2  LEU  24          3HD2      LEU  24   9.242   5.712   5.712
  149   2HD2  LEU  24          2HD2      LEU  24   8.934   5.050   5.050
  150   3HD2  LEU  24          1HD2      LEU  24   7.917   4.577   4.577
  151    H    SER  25           H        SER  25   9.339   9.450   9.450
  152    HA   SER  25           HA       SER  25   9.724  11.699  11.699
  153   1HB   SER  25          2HB       SER  25  10.980  11.535  11.535
  154   2HB   SER  25          1HB       SER  25   9.813  12.831  12.831
  155    HG   SER  25           HG       SER  25  11.725  12.611  12.611
  156    HA   PRO  26           HA       PRO  26   5.281  12.071  12.071
  157   1HB   PRO  26          2HB       PRO  26   4.583  12.528  12.528
  158   2HB   PRO  26          1HB       PRO  26   4.818  10.897  10.897
  159   1HG   PRO  26          2HG       PRO  26   6.665  12.555  12.555
  160   2HG   PRO  26          1HG       PRO  26   6.344  10.815  10.815
  161   1HD   PRO  26          2HD       PRO  26   8.548  11.878  11.878
  162   2HD   PRO  26          1HD       PRO  26   7.814  10.340  10.340
  163    H    VAL  27           H        VAL  27   4.077  13.970  13.970
  164    HA   VAL  27           HA       VAL  27   5.444  16.485  16.485
  165    HB   VAL  27           HB       VAL  27   3.616  15.925  15.925
  166   1HG1  VAL  27          3HG1      VAL  27   5.005  18.413  18.413
  167   2HG1  VAL  27          2HG1      VAL  27   4.508  18.241  18.241
  168   3HG1  VAL  27          1HG1      VAL  27   3.300  18.201  18.201
  169   1HG2  VAL  27          3HG2      VAL  27   6.125  15.070  15.070
  170   2HG2  VAL  27          2HG2      VAL  27   5.515  15.824  15.824
  171   3HG2  VAL  27          1HG2      VAL  27   6.491  16.761  16.761
  172    H    ASN  28           H        ASN  28   4.326  17.040  17.040
  173    HA   ASN  28           HA       ASN  28   2.492  17.647  17.647
  174   1HB   ASN  28          2HB       ASN  28   2.121  19.183  19.183
  175   2HB   ASN  28          1HB       ASN  28   1.285  17.917  17.917
  176   1HD2  ASN  28          1HD2      ASN  28  -0.906  17.399  17.399
  177   2HD2  ASN  28          2HD2      ASN  28  -1.771  18.319  18.319
  178    H    GLY  29           H        GLY  29   2.924  14.804  14.804
  179   1HA   GLY  29          2HA       GLY  29   1.803  12.813  12.813
  180   2HA   GLY  29          1HA       GLY  29   0.321  13.750  13.750
  181    H    PHE  30           H        PHE  30   2.366  13.773  13.773
  182    HA   PHE  30           HA       PHE  30   0.399  12.139  12.139
  183   1HB   PHE  30          2HB       PHE  30   1.060  15.055  15.055
  184   2HB   PHE  30          1HB       PHE  30   0.253  14.050  14.050
  185    HD1  PHE  30           HD2      PHE  30  -1.955  13.057  13.057
  186    HD2  PHE  30           HD1      PHE  30  -0.076  15.794  15.794
  187    HE1  PHE  30           HE2      PHE  30  -4.127  13.406  13.406
  188    HE2  PHE  30           HE1      PHE  30  -2.230  16.138  16.138
  189    HZ   PHE  30           HZ       PHE  30  -4.266  14.949  14.949
  190    H    LEU  31           H        LEU  31   1.184  11.591  11.591
  191    HA   LEU  31           HA       LEU  31   4.091  12.109  12.109
  192   1HB   LEU  31          2HB       LEU  31   2.611   9.463   9.463
  193   2HB   LEU  31          1HB       LEU  31   4.207   9.660   9.660
  194    HG   LEU  31           HG       LEU  31   3.796  10.684  10.684
  195   1HD1  LEU  31          2HD1      LEU  31   2.783   8.376   8.376
  196   2HD1  LEU  31          1HD1      LEU  31   4.353   7.772   7.772
  197   3HD1  LEU  31          3HD1      LEU  31   4.182   8.502   8.502
  198   1HD2  LEU  31          1HD2      LEU  31   5.984   9.823   9.823
  199   2HD2  LEU  31          3HD2      LEU  31   5.973  11.085  11.085
  200   3HD2  LEU  31          2HD2      LEU  31   6.195   9.397   9.397
  201    H    SER  32           H        SER  32   4.477  12.611  12.611
  202    HA   SER  32           HA       SER  32   2.203  12.746  12.746
  203   1HB   SER  32          2HB       SER  32   4.731  13.366  13.366
  204   2HB   SER  32          1HB       SER  32   3.441  14.472  14.472
  205    HG   SER  32           HG       SER  32   5.618  14.670  14.670
  206    H    GLY  33           H        GLY  33   1.878  11.447  11.447
  207   1HA   GLY  33          2HA       GLY  33   2.646   8.814   8.814
  208   2HA   GLY  33          1HA       GLY  33   2.362   9.756   9.756
  209    H    ASP  34           H        ASP  34   4.637  11.582  11.582
  210    HA   ASP  34           HA       ASP  34   6.699  10.439  10.439
  211   1HB   ASP  34          2HB       ASP  34   6.134  12.804  12.804
  212   2HB   ASP  34          1HB       ASP  34   7.586  12.239  12.239
  213    H    LYS  35           H        LYS  35   6.166  10.234  10.234
  214    HA   LYS  35           HA       LYS  35   8.669   8.652   8.652
  215   1HB   LYS  35          2HB       LYS  35   6.797   9.185   9.185
  216   2HB   LYS  35          1HB       LYS  35   8.556   9.294   9.294
  217   1HG   LYS  35          2HG       LYS  35   8.259  11.346  11.346
  218   2HG   LYS  35          1HG       LYS  35   6.547  11.290  11.290
  219   1HD   LYS  35          2HD       LYS  35   7.424  11.158  11.158
  220   2HD   LYS  35          1HD       LYS  35   8.923  11.797  11.797
  221   1HE   LYS  35          2HE       LYS  35   6.572  13.256  13.256
  222   2HE   LYS  35          1HE       LYS  35   6.752  13.336  13.336
  223   1HZ   LYS  35          1HZ       LYS  35   9.202  13.542  13.542
  224   2HZ   LYS  35          3HZ       LYS  35   8.150  14.866  14.866
  225   3HZ   LYS  35          2HZ       LYS  35   8.728  14.382  14.382
  226    H    VAL  36           H        VAL  36   5.184   8.426   8.426
  227    HA   VAL  36           HA       VAL  36   5.201   5.699   5.699
  228    HB   VAL  36           HB       VAL  36   3.037   7.339   7.339
  229   1HG1  VAL  36          1HG1      VAL  36   3.113   4.789   4.789
  230   2HG1  VAL  36          3HG1      VAL  36   1.723   5.853   5.853
  231   3HG1  VAL  36          2HG1      VAL  36   2.122   5.224   5.224
  232   1HG2  VAL  36          3HG2      VAL  36   4.476   7.872   7.872
  233   2HG2  VAL  36          2HG2      VAL  36   2.973   8.631   8.631
  234   3HG2  VAL  36          1HG2      VAL  36   2.925   7.211   7.211
  235    H    LYS  37           H        LYS  37   4.425   7.162   7.162
  236    HA   LYS  37           HA       LYS  37   3.655   4.898   4.898
  237   1HB   LYS  37          2HB       LYS  37   3.724   7.151   7.151
  238   2HB   LYS  37          1HB       LYS  37   5.485   7.154   7.154
  239   1HG   LYS  37          2HG       LYS  37   5.551   5.249   5.249
  240   2HG   LYS  37          1HG       LYS  37   3.789   5.242   5.242
  241   1HD   LYS  37          2HD       LYS  37   3.690   7.223   7.223
  242   2HD   LYS  37          1HD       LYS  37   5.253   7.787   7.787
  243   1HE   LYS  37          2HE       LYS  37   5.189   6.983   6.983
  244   2HE   LYS  37          1HE       LYS  37   6.442   6.254   6.254
  245   1HZ   LYS  37          1HZ       LYS  37   3.787   5.023   5.023
  246   2HZ   LYS  37          3HZ       LYS  37   4.766   4.769   4.769
  247   3HZ   LYS  37          2HZ       LYS  37   5.315   4.300   4.300
  248    HA   PRO  38           HA       PRO  38   8.223   3.694   3.694
  249   1HB   PRO  38          2HB       PRO  38  10.113   4.732   4.732
  250   2HB   PRO  38          1HB       PRO  38   9.691   5.481   5.481
  251   1HG   PRO  38          2HG       PRO  38   8.778   6.183   6.183
  252   2HG   PRO  38          1HG       PRO  38   9.250   7.247   7.247
  253   1HD   PRO  38          2HD       PRO  38   6.669   6.797   6.797
  254   2HD   PRO  38          1HD       PRO  38   7.212   7.059   7.059
  255    H    VAL  39           H        VAL  39   7.258   4.462   4.462
  256    HA   VAL  39           HA       VAL  39   8.477   2.275   2.275
  257    HB   VAL  39           HB       VAL  39   6.239   4.223   4.223
  258   1HG1  VAL  39          1HG1      VAL  39   6.413   1.584   1.584
  259   2HG1  VAL  39          3HG1      VAL  39   6.154   2.976   2.976
  260   3HG1  VAL  39          2HG1      VAL  39   5.017   2.632   2.632
  261   1HG2  VAL  39          1HG2      VAL  39   8.830   4.365   4.365
  262   2HG2  VAL  39          3HG2      VAL  39   7.622   5.099   5.099
  263   3HG2  VAL  39          2HG2      VAL  39   8.310   3.528   3.528
  264    H    LEU  40           H        LEU  40   5.571   2.532   2.532
  265    HA   LEU  40           HA       LEU  40   4.530  -0.078  -0.078
  266   1HB   LEU  40          2HB       LEU  40   3.780   1.793   1.793
  267   2HB   LEU  40          1HB       LEU  40   2.809   0.439   0.439
  268    HG   LEU  40           HG       LEU  40   3.546   2.942   2.942
  269   1HD1  LEU  40          2HD1      LEU  40   0.979   1.705   1.705
  270   2HD1  LEU  40          1HD1      LEU  40   0.998   2.952   2.952
  271   3HD1  LEU  40          3HD1      LEU  40   1.628   3.307   3.307
  272   1HD2  LEU  40          2HD2      LEU  40   2.327   0.351   0.351
  273   2HD2  LEU  40          1HD2      LEU  40   3.815   1.114   1.114
  274   3HD2  LEU  40          3HD2      LEU  40   2.251   1.863   1.863
  275    H    LEU  41           H        LEU  41   6.816   1.095   1.095
  276    HA   LEU  41           HA       LEU  41   6.555  -1.064  -1.064
  277   1HB   LEU  41          2HB       LEU  41   8.482   1.170   1.170
  278   2HB   LEU  41          1HB       LEU  41   8.876  -0.043  -0.043
  279    HG   LEU  41           HG       LEU  41   6.228   1.390   1.390
  280   1HD1  LEU  41          2HD1      LEU  41   8.886   2.495   2.495
  281   2HD1  LEU  41          1HD1      LEU  41   7.847   2.589   2.589
  282   3HD1  LEU  41          3HD1      LEU  41   7.331   3.321   3.321
  283   1HD2  LEU  41          3HD2      LEU  41   7.077  -0.743  -0.743
  284   2HD2  LEU  41          2HD2      LEU  41   6.045   0.484   0.484
  285   3HD2  LEU  41          1HD2      LEU  41   7.786   0.516   0.516
  286    H    ASN  42           H        ASN  42   8.325  -0.408  -0.408
  287    HA   ASN  42           HA       ASN  42  10.371  -2.373  -2.373
  288   1HB   ASN  42          2HB       ASN  42   8.754  -1.373  -1.373
  289   2HB   ASN  42          1HB       ASN  42  10.290  -2.232  -2.232
  290   1HD2  ASN  42          1HD2      ASN  42   8.788   0.809   0.809
  291   2HD2  ASN  42          2HD2      ASN  42  10.234   1.690   1.690
  292    H    SER  43           H        SER  43   6.947  -2.614  -2.614
  293    HA   SER  43           HA       SER  43   6.817  -5.230  -5.230
  294   1HB   SER  43          2HB       SER  43   4.537  -4.899  -4.899
  295   2HB   SER  43          1HB       SER  43   5.107  -3.241  -3.241
  296    HG   SER  43           HG       SER  43   4.358  -5.078  -5.078
  297    H    LYS  44           H        LYS  44   7.707  -4.170  -4.170
  298    HA   LYS  44           HA       LYS  44   8.455  -5.430  -5.430
  299   1HB   LYS  44          2HB       LYS  44   8.559  -7.174  -7.174
  300   2HB   LYS  44          1HB       LYS  44   7.432  -8.001  -8.001
  301   1HG   LYS  44          2HG       LYS  44   9.173  -8.688  -8.688
  302   2HG   LYS  44          1HG       LYS  44   9.530  -7.004  -7.004
  303   1HD   LYS  44          2HD       LYS  44  11.438  -7.192  -7.192
  304   2HD   LYS  44          1HD       LYS  44  10.470  -7.418  -7.418
  305   1HE   LYS  44          2HE       LYS  44  11.432  -9.484  -9.484
  306   2HE   LYS  44          1HE       LYS  44  10.356  -9.914  -9.914
  307   1HZ   LYS  44          2HZ       LYS  44  12.223  -8.596  -8.596
  308   2HZ   LYS  44          1HZ       LYS  44  13.182  -9.191  -9.191
  309   3HZ   LYS  44          3HZ       LYS  44  12.323 -10.268 -10.268
  310    H    LEU  45           H        LEU  45   5.500  -4.672  -4.672
  311    HA   LEU  45           HA       LEU  45   3.909  -6.438  -6.438
  312   1HB   LEU  45          2HB       LEU  45   3.478  -4.100  -4.100
  313   2HB   LEU  45          1HB       LEU  45   2.220  -4.510  -4.510
  314    HG   LEU  45           HG       LEU  45   3.428  -6.465  -6.465
  315   1HD1  LEU  45          1HD1      LEU  45   1.805  -4.389  -4.389
  316   2HD1  LEU  45          3HD1      LEU  45   0.602  -5.592  -5.592
  317   3HD1  LEU  45          2HD1      LEU  45   1.760  -5.943  -5.943
  318   1HD2  LEU  45          3HD2      LEU  45   2.185  -7.009  -7.009
  319   2HD2  LEU  45          2HD2      LEU  45   2.105  -8.064  -8.064
  320   3HD2  LEU  45          1HD2      LEU  45   0.798  -6.926  -6.926
  321    HA   PRO  46           HA       PRO  46   4.250  -3.927  -3.927
  322   1HB   PRO  46          2HB       PRO  46   1.782  -4.307  -4.307
  323   2HB   PRO  46          1HB       PRO  46   3.054  -5.544  -5.544
  324   1HG   PRO  46          2HG       PRO  46   0.646  -5.312  -5.312
  325   2HG   PRO  46          1HG       PRO  46   1.443  -6.752  -6.752
  326   1HD   PRO  46          2HD       PRO  46   1.704  -5.867  -5.867
  327   2HD   PRO  46          1HD       PRO  46   2.886  -6.894  -6.894
  328    H    VAL  47           H        VAL  47   3.462  -1.902  -1.902
  329    HA   VAL  47           HA       VAL  47   2.634   0.066   0.066
  330    HB   VAL  47           HB       VAL  47   2.557  -0.105  -0.105
  331   1HG1  VAL  47          3HG1      VAL  47   2.196   2.297   2.297
  332   2HG1  VAL  47          2HG1      VAL  47   2.438   2.384   2.384
  333   3HG1  VAL  47          1HG1      VAL  47   0.986   1.623   1.623
  334   1HG2  VAL  47          2HG2      VAL  47   4.497   1.051   1.051
  335   2HG2  VAL  47          1HG2      VAL  47   4.792  -0.266  -0.266
  336   3HG2  VAL  47          3HG2      VAL  47   4.590   1.381   1.381
  337    H    ASP  48           H        ASP  48   0.700  -2.327  -2.327
  338    HA   ASP  48           HA       ASP  48  -1.766  -0.808  -0.808
  339   1HB   ASP  48          2HB       ASP  48  -0.956  -3.049  -3.049
  340   2HB   ASP  48          1HB       ASP  48  -1.533  -3.773  -3.773
  341    H    ILE  49           H        ILE  49  -0.278  -3.005  -3.005
  342    HA   ILE  49           HA       ILE  49  -2.407  -3.033  -3.033
  343    HB   ILE  49           HB       ILE  49   0.575  -3.120  -3.120
  344   1HG1  ILE  49          2HG1      ILE  49   0.266  -4.646  -4.646
  345   2HG1  ILE  49          1HG1      ILE  49   0.226  -5.638  -5.638
  346   1HG2  ILE  49          3HG2      ILE  49  -1.786  -3.551  -3.551
  347   2HG2  ILE  49          2HG2      ILE  49  -0.879  -5.058  -5.058
  348   3HG2  ILE  49          1HG2      ILE  49  -0.096  -3.604  -3.604
  349   1HD1  ILE  49          3HD1      ILE  49  -2.300  -5.398  -5.398
  350   2HD1  ILE  49          2HD1      ILE  49  -2.128  -4.685  -4.685
  351   3HD1  ILE  49          1HD1      ILE  49  -1.617  -6.349  -6.349
  352    H    LEU  50           H        LEU  50   0.450  -1.019  -1.019
  353    HA   LEU  50           HA       LEU  50   0.073   0.721   0.721
  354   1HB   LEU  50          2HB       LEU  50   1.288   1.322   1.322
  355   2HB   LEU  50          1HB       LEU  50   1.710   2.080   2.080
  356    HG   LEU  50           HG       LEU  50   2.282  -0.740  -0.740
  357   1HD1  LEU  50          2HD1      LEU  50   3.798   1.725   1.725
  358   2HD1  LEU  50          1HD1      LEU  50   4.510   0.218   0.218
  359   3HD1  LEU  50          3HD1      LEU  50   4.180   0.434   0.434
  360   1HD2  LEU  50          2HD2      LEU  50   1.769   0.271   0.271
  361   2HD2  LEU  50          1HD2      LEU  50   1.747  -1.385  -1.385
  362   3HD2  LEU  50          3HD2      LEU  50   3.280  -0.622  -0.622
  363    H    GLY  51           H        GLY  51  -1.526   0.449   0.449
  364   1HA   GLY  51          2HA       GLY  51  -2.596   3.189   3.189
  365   2HA   GLY  51          1HA       GLY  51  -3.022   1.938   1.938
  366    H    ARG  52           H        ARG  52  -3.494  -0.033  -0.033
  367    HA   ARG  52           HA       ARG  52  -6.243   0.843   0.843
  368   1HB   ARG  52          2HB       ARG  52  -4.895  -1.583  -1.583
  369   2HB   ARG  52          1HB       ARG  52  -5.720  -1.827  -1.827
  370   1HG   ARG  52          2HG       ARG  52  -7.798  -0.899  -0.899
  371   2HG   ARG  52          1HG       ARG  52  -6.970  -0.730  -0.730
  372   1HD   ARG  52          2HD       ARG  52  -6.937  -3.407  -3.407
  373   2HD   ARG  52          1HD       ARG  52  -8.403  -2.899  -2.899
  374    HE   ARG  52           HE       ARG  52  -5.757  -2.676  -2.676
  375   1HH1  ARG  52          1HH2      ARG  52  -8.607  -4.525  -4.525
  376   2HH1  ARG  52          2HH2      ARG  52  -8.766  -4.944  -4.944
  377   1HH2  ARG  52          2HH1      ARG  52  -6.107  -2.972  -2.972
  378   2HH2  ARG  52          1HH1      ARG  52  -7.353  -4.066  -4.066
  379    H    VAL  53           H        VAL  53  -3.559  -0.907  -0.907
  380    HA   VAL  53           HA       VAL  53  -4.426  -0.812  -0.812
  381    HB   VAL  53           HB       VAL  53  -1.765  -0.680  -0.680
  382   1HG1  VAL  53          2HG1      VAL  53  -1.697   0.637   0.637
  383   2HG1  VAL  53          1HG1      VAL  53  -1.995  -0.915  -0.915
  384   3HG1  VAL  53          3HG1      VAL  53  -0.547  -0.679  -0.679
  385   1HG2  VAL  53          2HG2      VAL  53  -3.340  -2.724  -2.724
  386   2HG2  VAL  53          1HG2      VAL  53  -1.628  -2.935  -2.935
  387   3HG2  VAL  53          3HG2      VAL  53  -2.796  -2.714  -2.714
  388    H    TRP  54           H        TRP  54  -2.987   1.789   1.789
  389    HA   TRP  54           HA       TRP  54  -2.774   3.649   3.649
  390   1HB   TRP  54          2HB       TRP  54  -1.343   3.964   3.964
  391   2HB   TRP  54          1HB       TRP  54  -2.711   3.916   3.916
  392    HD1  TRP  54           HD1      TRP  54  -4.538   5.959   5.959
  393    HE1  TRP  54           HE1      TRP  54  -4.145   8.432   8.432
  394    HE3  TRP  54           HE3      TRP  54   0.104   5.601   5.601
  395    HZ2  TRP  54           HZ2      TRP  54  -2.127  10.034  10.034
  396    HZ3  TRP  54           HZ3      TRP  54   1.240   7.617   7.617
  397    HH2  TRP  54           HH2      TRP  54   0.131   9.833   9.833
  398    H    GLU  55           H        GLU  55  -4.909   3.621   3.621
  399    HA   GLU  55           HA       GLU  55  -6.667   5.652   5.652
  400   1HB   GLU  55          2HB       GLU  55  -7.947   4.814   4.814
  401   2HB   GLU  55          1HB       GLU  55  -6.472   3.896   3.896
  402   1HG   GLU  55          2HG       GLU  55  -7.352   1.994   1.994
  403   2HG   GLU  55          1HG       GLU  55  -8.775   2.913   2.913
  404    H    LEU  56           H        LEU  56  -6.861   2.239   2.239
  405    HA   LEU  56           HA       LEU  56  -9.164   2.668   2.668
  406   1HB   LEU  56          2HB       LEU  56  -7.158   0.393   0.393
  407   2HB   LEU  56          1HB       LEU  56  -8.713   0.305   0.305
  408    HG   LEU  56           HG       LEU  56  -8.707   1.216   1.216
  409   1HD1  LEU  56          3HD1      LEU  56  -7.449  -1.201  -1.201
  410   2HD1  LEU  56          2HD1      LEU  56  -9.024  -1.641  -1.641
  411   3HD1  LEU  56          1HD1      LEU  56  -7.892  -0.694  -0.694
  412   1HD2  LEU  56          2HD2      LEU  56 -10.519  -0.305  -0.305
  413   2HD2  LEU  56          1HD2      LEU  56 -10.850   1.180   1.180
  414   3HD2  LEU  56          3HD2      LEU  56 -10.789  -0.362  -0.362
  415    H    SER  57           H        SER  57  -5.815   3.244   3.244
  416    HA   SER  57           HA       SER  57  -5.731   3.008   3.008
  417   1HB   SER  57          2HB       SER  57  -3.784   2.171   2.171
  418   2HB   SER  57          1HB       SER  57  -3.796   3.399   3.399
  419    HG   SER  57           HG       SER  57  -2.724   4.683   4.683
  420    H    ASP  58           H        ASP  58  -5.609   5.407   5.407
  421    HA   ASP  58           HA       ASP  58  -5.087   7.668   7.668
  422   1HB   ASP  58          2HB       ASP  58  -4.644   7.234   7.234
  423   2HB   ASP  58          1HB       ASP  58  -6.281   7.868   7.868
  424    H    ILE  59           H        ILE  59  -6.832   7.367   7.367
  425    HA   ILE  59           HA       ILE  59  -9.542   7.048   7.048
  426    HB   ILE  59           HB       ILE  59  -8.112   8.780   8.780
  427   1HG1  ILE  59          2HG1      ILE  59  -7.449   6.360   6.360
  428   2HG1  ILE  59          1HG1      ILE  59  -8.208   6.796   6.796
  429   1HG2  ILE  59          1HG2      ILE  59 -10.956   7.773   7.773
  430   2HG2  ILE  59          3HG2      ILE  59 -10.217   8.227   8.227
  431   3HG2  ILE  59          2HG2      ILE  59 -10.397   9.425   9.425
  432   1HD1  ILE  59          1HD1      ILE  59 -10.370   6.091   6.091
  433   2HD1  ILE  59          3HD1      ILE  59  -9.126   4.942   4.942
  434   3HD1  ILE  59          2HD1      ILE  59  -9.598   5.051   5.051
  435    H    ASP  60           H        ASP  60  -7.626  10.012  10.012
  436    HA   ASP  60           HA       ASP  60 -10.131  11.479  11.479
  437   1HB   ASP  60          2HB       ASP  60  -8.787  13.471  13.471
  438   2HB   ASP  60          1HB       ASP  60  -8.577  12.349  12.349
  439    H    HIS  61           H        HIS  61  -7.370  10.029  10.029
  440    HA   HIS  61           HA       HIS  61  -6.755   9.950   9.950
  441   1HB   HIS  61          2HB       HIS  61  -9.155  11.600  11.600
  442   2HB   HIS  61          1HB       HIS  61  -8.533  10.151  10.151
  443    HD1  HIS  61           HD1      HIS  61 -11.332  11.164  11.164
  444    HD2  HIS  61           HD2      HIS  61  -8.846   7.825   7.825
  445    HE1  HIS  61           HE1      HIS  61 -12.626   9.382   9.382
  446    H    ASP  62           H        ASP  62  -5.674  12.033  12.033
  447    HA   ASP  62           HA       ASP  62  -5.787  14.442  14.442
  448   1HB   ASP  62          2HB       ASP  62  -5.122  15.639  15.639
  449   2HB   ASP  62          1HB       ASP  62  -6.305  14.454  14.454
  450    H    GLY  63           H        GLY  63  -4.069  11.768  11.768
  451   1HA   GLY  63          2HA       GLY  63  -1.968  11.374  11.374
  452   2HA   GLY  63          1HA       GLY  63  -1.656  13.110  13.110
  453    H    MET  64           H        MET  64  -2.750  12.037  12.037
  454    HA   MET  64           HA       MET  64  -0.013  11.459  11.459
  455   1HB   MET  64          2HB       MET  64  -1.706  13.829  13.829
  456   2HB   MET  64          1HB       MET  64  -1.070  13.167  13.167
  457   1HG   MET  64          2HG       MET  64   1.187  13.235  13.235
  458   2HG   MET  64          1HG       MET  64   0.583  13.795  13.795
  459   1HE   MET  64          1HE       MET  64   2.777  15.089  15.089
  460   2HE   MET  64          3HE       MET  64   2.615  16.617  16.617
  461   3HE   MET  64          2HE       MET  64   2.563  15.086  15.086
  462    H    LEU  65           H        LEU  65  -0.078  10.518  10.518
  463    HA   LEU  65           HA       LEU  65  -2.741   9.288   9.288
  464   1HB   LEU  65          2HB       LEU  65   0.068   8.166   8.166
  465   2HB   LEU  65          1HB       LEU  65  -1.216   7.342   7.342
  466    HG   LEU  65           HG       LEU  65  -1.545   8.185   8.185
  467   1HD1  LEU  65          2HD1      LEU  65  -0.112   5.840   5.840
  468   2HD1  LEU  65          1HD1      LEU  65  -1.132   5.548   5.548
  469   3HD1  LEU  65          3HD1      LEU  65   0.196   6.703   6.703
  470   1HD2  LEU  65          1HD2      LEU  65  -3.503   7.562   7.562
  471   2HD2  LEU  65          3HD2      LEU  65  -3.393   6.681   6.681
  472   3HD2  LEU  65          2HD2      LEU  65  -2.850   5.926   5.926
  473    H    ASP  66           H        ASP  66  -3.368   9.982   9.982
  474    HA   ASP  66           HA       ASP  66  -1.566  11.270  11.270
  475   1HB   ASP  66          2HB       ASP  66  -4.198  11.301  11.301
  476   2HB   ASP  66          1HB       ASP  66  -4.144   9.992   9.992
  477    H    ARG  67           H        ARG  67  -1.174  10.378  10.378
  478    HA   ARG  67           HA       ARG  67   0.218   7.977   7.977
  479   1HB   ARG  67          2HB       ARG  67   0.013   8.195   8.195
  480   2HB   ARG  67          1HB       ARG  67  -0.057   9.832   9.832
  481   1HG   ARG  67          2HG       ARG  67  -2.630   9.457   9.457
  482   2HG   ARG  67          1HG       ARG  67  -2.302   8.142   8.142
  483   1HD   ARG  67          2HD       ARG  67  -1.591  11.073  11.073
  484   2HD   ARG  67          1HD       ARG  67  -2.760  10.129  10.129
  485    HE   ARG  67           HE       ARG  67  -0.583   8.624   8.624
  486   1HH1  ARG  67          1HH2      ARG  67  -1.454  11.747  11.747
  487   2HH1  ARG  67          2HH2      ARG  67   0.095  12.190  12.190
  488   1HH2  ARG  67          2HH1      ARG  67   1.673   9.316   9.316
  489   2HH2  ARG  67          1HH1      ARG  67   1.866  10.815  10.815
  490    H    ASP  68           H        ASP  68  -3.279   8.433   8.433
  491    HA   ASP  68           HA       ASP  68  -3.752   5.602   5.602
  492   1HB   ASP  68          2HB       ASP  68  -5.753   7.738   7.738
  493   2HB   ASP  68          1HB       ASP  68  -6.011   6.333   6.333
  494    H    GLU  69           H        GLU  69  -3.961   7.747   7.747
  495    HA   GLU  69           HA       GLU  69  -5.398   5.887   5.887
  496   1HB   GLU  69          2HB       GLU  69  -3.502   8.155   8.155
  497   2HB   GLU  69          1HB       GLU  69  -4.731   7.473   7.473
  498   1HG   GLU  69          2HG       GLU  69  -6.373   8.065   8.065
  499   2HG   GLU  69          1HG       GLU  69  -5.091   9.160   9.160
  500    H    PHE  70           H        PHE  70  -1.979   6.717   6.717
  501    HA   PHE  70           HA       PHE  70  -0.864   5.008   5.008
  502   1HB   PHE  70          2HB       PHE  70   0.229   6.820   6.820
  503   2HB   PHE  70          1HB       PHE  70   0.278   5.622   5.622
  504    HD1  PHE  70           HD1      PHE  70   1.538   6.491   6.491
  505    HD2  PHE  70           HD2      PHE  70   1.774   3.720   3.720
  506    HE1  PHE  70           HE1      PHE  70   3.587   5.501   5.501
  507    HE2  PHE  70           HE2      PHE  70   3.826   2.729   2.729
  508    HZ   PHE  70           HZ       PHE  70   4.726   3.625   3.625
  509    H    ALA  71           H        ALA  71  -2.065   4.447   4.447
  510    HA   ALA  71           HA       ALA  71  -1.031   1.852   1.852
  511   1HB   ALA  71          1HB       ALA  71  -2.777   3.688   3.688
  512   2HB   ALA  71          3HB       ALA  71  -3.811   2.295   2.295
  513   3HB   ALA  71          2HB       ALA  71  -2.368   2.110   2.110
  514    H    VAL  72           H        VAL  72  -4.079   2.802   2.802
  515    HA   VAL  72           HA       VAL  72  -5.061   0.204   0.204
  516    HB   VAL  72           HB       VAL  72  -5.355   2.846   2.846
  517   1HG1  VAL  72          2HG1      VAL  72  -6.169   0.348   0.348
  518   2HG1  VAL  72          1HG1      VAL  72  -7.600   0.962   0.962
  519   3HG1  VAL  72          3HG1      VAL  72  -6.881   1.886   1.886
  520   1HG2  VAL  72          1HG2      VAL  72  -5.961   2.618   2.618
  521   2HG2  VAL  72          3HG2      VAL  72  -7.193   3.279   3.279
  522   3HG2  VAL  72          2HG2      VAL  72  -7.287   1.597   1.597
  523    H    ALA  73           H        ALA  73  -2.598   2.115   2.115
  524    HA   ALA  73           HA       ALA  73  -2.612   0.434   0.434
  525   1HB   ALA  73          2HB       ALA  73  -1.641   2.990   2.990
  526   2HB   ALA  73          1HB       ALA  73  -0.310   2.083   2.083
  527   3HB   ALA  73          3HB       ALA  73  -1.791   2.388   2.388
  528    H    MET  74           H        MET  74  -1.260   0.078   0.078
  529    HA   MET  74           HA       MET  74   1.213  -1.205  -1.205
  530   1HB   MET  74          2HB       MET  74   0.189  -1.124  -1.124
  531   2HB   MET  74          1HB       MET  74   1.857  -1.245  -1.245
  532   1HG   MET  74          2HG       MET  74   0.083   1.151   1.151
  533   2HG   MET  74          1HG       MET  74   1.786   0.993   0.993
  534   1HE   MET  74          1HE       MET  74   3.636   0.686   0.686
  535   2HE   MET  74          3HE       MET  74   2.877  -0.468  -0.468
  536   3HE   MET  74          2HE       MET  74   3.587   1.015   1.015
  537    H    PHE  75           H        PHE  75  -1.811  -2.152  -2.152
  538    HA   PHE  75           HA       PHE  75  -1.036  -4.977  -4.977
  539   1HB   PHE  75          2HB       PHE  75  -2.991  -5.275  -5.275
  540   2HB   PHE  75          1HB       PHE  75  -2.627  -3.590  -3.590
  541    HD1  PHE  75           HD1      PHE  75  -4.714  -5.850  -5.850
  542    HD2  PHE  75           HD2      PHE  75  -4.021  -1.814  -1.814
  543    HE1  PHE  75           HE1      PHE  75  -6.899  -5.171  -5.171
  544    HE2  PHE  75           HE2      PHE  75  -6.192  -1.136  -1.136
  545    HZ   PHE  75           HZ       PHE  75  -7.640  -2.810  -2.810
  546    H    LEU  76           H        LEU  76  -2.432  -2.711  -2.711
  547    HA   LEU  76           HA       LEU  76  -3.825  -4.681  -4.681
  548   1HB   LEU  76          2HB       LEU  76  -3.390  -1.756  -1.756
  549   2HB   LEU  76          1HB       LEU  76  -3.575  -2.393  -2.393
  550    HG   LEU  76           HG       LEU  76  -5.493  -2.945  -2.945
  551   1HD1  LEU  76          3HD1      LEU  76  -5.478  -0.558  -0.558
  552   2HD1  LEU  76          2HD1      LEU  76  -5.850  -1.132  -1.132
  553   3HD1  LEU  76          1HD1      LEU  76  -7.003  -1.387  -1.387
  554   1HD2  LEU  76          2HD2      LEU  76  -5.551  -3.572  -3.572
  555   2HD2  LEU  76          1HD2      LEU  76  -5.491  -4.733  -4.733
  556   3HD2  LEU  76          3HD2      LEU  76  -6.938  -3.757  -3.757
  557    H    VAL  77           H        VAL  77  -0.657  -3.347  -3.347
  558    HA   VAL  77           HA       VAL  77   0.231  -4.154  -4.154
  559    HB   VAL  77           HB       VAL  77   1.544  -2.854  -2.854
  560   1HG1  VAL  77          1HG1      VAL  77   2.669  -3.857  -3.857
  561   2HG1  VAL  77          3HG1      VAL  77   3.285  -2.329  -2.329
  562   3HG1  VAL  77          2HG1      VAL  77   3.415  -3.803  -3.803
  563   1HG2  VAL  77          1HG2      VAL  77  -0.205  -1.690  -1.690
  564   2HG2  VAL  77          3HG2      VAL  77   1.266  -0.834  -0.834
  565   3HG2  VAL  77          2HG2      VAL  77   1.160  -1.612  -1.612
  566    H    TYR  78           H        TYR  78   0.766  -5.038  -5.038
  567    HA   TYR  78           HA       TYR  78   2.642  -7.158  -7.158
  568   1HB   TYR  78          2HB       TYR  78   1.132  -6.049  -6.049
  569   2HB   TYR  78          1HB       TYR  78   1.602  -7.744  -7.744
  570    HD1  TYR  78           HD2      TYR  78   4.131  -8.081  -8.081
  571    HD2  TYR  78           HD1      TYR  78   2.642  -4.612  -4.612
  572    HE1  TYR  78           HE2      TYR  78   6.457  -7.381  -7.381
  573    HE2  TYR  78           HE1      TYR  78   4.963  -3.911  -3.911
  574    HH   TYR  78           HH       TYR  78   7.720  -5.511  -5.511
  575    H    CYS  79           H        CYS  79  -0.825  -6.914  -6.914
  576    HA   CYS  79           HA       CYS  79  -1.314  -9.797  -9.797
  577   1HB   CYS  79          2HB       CYS  79  -2.833  -7.780  -7.780
  578   2HB   CYS  79          1HB       CYS  79  -3.165  -7.688  -7.688
  579    HG   CYS  79           HG       CYS  79  -3.621 -10.512 -10.512
  580    H    ALA  80           H        ALA  80  -0.326  -7.613  -7.613
  581    HA   ALA  80           HA       ALA  80  -1.353  -9.263  -9.263
  582   1HB   ALA  80          2HB       ALA  80  -0.150  -6.598  -6.598
  583   2HB   ALA  80          1HB       ALA  80   0.310  -7.373  -7.373
  584   3HB   ALA  80          3HB       ALA  80  -1.392  -7.086  -7.086
  585    H    LEU  81           H        LEU  81   1.378  -9.072  -9.072
  586    HA   LEU  81           HA       LEU  81   3.261 -10.243 -10.243
  587   1HB   LEU  81          2HB       LEU  81   3.668  -9.861  -9.861
  588   2HB   LEU  81          1HB       LEU  81   4.879  -9.827  -9.827
  589    HG   LEU  81           HG       LEU  81   2.943  -7.709  -7.709
  590   1HD1  LEU  81          1HD1      LEU  81   5.717  -8.109  -8.109
  591   2HD1  LEU  81          3HD1      LEU  81   5.456  -6.903  -6.903
  592   3HD1  LEU  81          2HD1      LEU  81   4.860  -6.615  -6.615
  593   1HD2  LEU  81          2HD2      LEU  81   3.722  -8.362  -8.362
  594   2HD2  LEU  81          1HD2      LEU  81   2.243  -7.622  -7.622
  595   3HD2  LEU  81          3HD2      LEU  81   3.716  -6.661  -6.661
  596    H    GLU  82           H        GLU  82   1.353 -11.136 -11.136
  597    HA   GLU  82           HA       GLU  82   2.474 -13.767 -13.767
  598   1HB   GLU  82          2HB       GLU  82   1.277 -12.583 -12.583
  599   2HB   GLU  82          1HB       GLU  82  -0.167 -12.482 -12.482
  600   1HG   GLU  82          2HG       GLU  82  -0.371 -14.311 -14.311
  601   2HG   GLU  82          1HG       GLU  82  -0.340 -14.944 -14.944
  602    H    LYS  83           H        LYS  83  -0.602 -12.659 -12.659
  603    HA   LYS  83           HA       LYS  83  -0.458 -14.422 -14.422
  604   1HB   LYS  83          2HB       LYS  83  -0.921 -15.669 -15.669
  605   2HB   LYS  83          1HB       LYS  83  -2.444 -15.737 -15.737
  606   1HG   LYS  83          2HG       LYS  83  -1.420 -16.827 -16.827
  607   2HG   LYS  83          1HG       LYS  83   0.201 -16.514 -16.514
  608   1HD   LYS  83          2HD       LYS  83  -1.016 -17.854 -17.854
  609   2HD   LYS  83          1HD       LYS  83  -1.671 -18.668 -18.668
  610   1HE   LYS  83          2HE       LYS  83   1.059 -18.323 -18.323
  611   2HE   LYS  83          1HE       LYS  83   1.004 -18.846 -18.846
  612   1HZ   LYS  83          1HZ       LYS  83  -0.601 -20.572 -20.572
  613   2HZ   LYS  83          3HZ       LYS  83  -0.374 -20.134 -20.134
  614   3HZ   LYS  83          2HZ       LYS  83   0.920 -20.778 -20.778
  615    H    GLU  84           H        GLU  84  -2.403 -12.436 -12.436
  616    HA   GLU  84           HA       GLU  84  -4.739 -12.636 -12.636
  617   1HB   GLU  84          2HB       GLU  84  -4.216 -11.431 -11.431
  618   2HB   GLU  84          1HB       GLU  84  -5.734 -11.175 -11.175
  619   1HG   GLU  84          2HG       GLU  84  -4.550 -13.841 -13.841
  620   2HG   GLU  84          1HG       GLU  84  -6.005 -13.085 -13.085
  621    HA   PRO  85           HA       PRO  85  -3.314  -8.883  -8.883
  622   1HB   PRO  85          2HB       PRO  85  -5.354  -8.741  -8.741
  623   2HB   PRO  85          1HB       PRO  85  -3.971  -9.837  -9.837
  624   1HG   PRO  85          2HG       PRO  85  -6.729 -10.415 -10.415
  625   2HG   PRO  85          1HG       PRO  85  -5.657 -11.391 -11.391
  626   1HD   PRO  85          2HD       PRO  85  -6.066 -11.857 -11.857
  627   2HD   PRO  85          1HD       PRO  85  -4.581 -12.310 -12.310
  628    H    VAL  86           H        VAL  86  -5.011  -6.940  -6.940
  629    HA   VAL  86           HA       VAL  86  -6.793  -6.305  -6.305
  630    HB   VAL  86           HB       VAL  86  -4.854  -4.500  -4.500
  631   1HG1  VAL  86          3HG1      VAL  86  -6.863  -3.322  -3.322
  632   2HG1  VAL  86          2HG1      VAL  86  -6.595  -3.993  -3.993
  633   3HG1  VAL  86          1HG1      VAL  86  -5.434  -2.856  -2.856
  634   1HG2  VAL  86          3HG2      VAL  86  -4.774  -5.769  -5.769
  635   2HG2  VAL  86          2HG2      VAL  86  -3.648  -6.049  -6.049
  636   3HG2  VAL  86          1HG2      VAL  86  -3.687  -4.482  -4.482
  637    HA   PRO  87           HA       PRO  87  -9.572  -5.313  -5.313
  638   1HB   PRO  87          2HB       PRO  87 -11.668  -4.535  -4.535
  639   2HB   PRO  87          1HB       PRO  87 -11.201  -6.234  -6.234
  640   1HG   PRO  87          2HG       PRO  87 -10.845  -4.457  -4.457
  641   2HG   PRO  87          1HG       PRO  87 -10.908  -6.223  -6.223
  642   1HD   PRO  87          2HD       PRO  87  -8.600  -4.574  -4.574
  643   2HD   PRO  87          1HD       PRO  87  -8.658  -6.340  -6.340
  644    H    MET  88           H        MET  88 -11.374  -3.273  -3.273
  645    HA   MET  88           HA       MET  88  -9.687  -0.811  -0.811
  646   1HB   MET  88          2HB       MET  88 -11.805  -1.698  -1.698
  647   2HB   MET  88          1HB       MET  88 -11.399   0.005   0.005
  648   1HG   MET  88          2HG       MET  88  -8.963  -0.703  -0.703
  649   2HG   MET  88          1HG       MET  88  -9.614  -2.245  -2.245
  650   1HE   MET  88          3HE       MET  88  -8.816   1.162   1.162
  651   2HE   MET  88          2HE       MET  88  -8.022   0.567   0.567
  652   3HE   MET  88          1HE       MET  88  -9.332   1.737   1.737
  653    H    SER  89           H        SER  89 -12.152  -2.346  -2.346
  654    HA   SER  89           HA       SER  89 -13.701   0.185   0.185
  655   1HB   SER  89          2HB       SER  89 -14.344  -2.732  -2.732
  656   2HB   SER  89          1HB       SER  89 -15.374  -1.606  -1.606
  657    HG   SER  89           HG       SER  89 -15.696  -0.477  -0.477
  658    H    LEU  90           H        LEU  90 -12.829   1.148   1.148
  659    HA   LEU  90           HA       LEU  90 -11.695  -0.101  -0.101
  660   1HB   LEU  90          2HB       LEU  90 -12.267   2.489   2.489
  661   2HB   LEU  90          1HB       LEU  90 -13.008   2.405   2.405
  662    HG   LEU  90           HG       LEU  90 -10.155   1.590   1.590
  663   1HD1  LEU  90          3HD1      LEU  90 -11.344   4.177   4.177
  664   2HD1  LEU  90          2HD1      LEU  90  -9.662   3.736   3.736
  665   3HD1  LEU  90          1HD1      LEU  90 -10.245   3.960   3.960
  666   1HD2  LEU  90          1HD2      LEU  90 -11.294   0.542   0.542
  667   2HD2  LEU  90          3HD2      LEU  90  -9.929   1.564   1.564
  668   3HD2  LEU  90          2HD2      LEU  90 -11.578   2.159   2.159
  669    HA   PRO  91           HA       PRO  91 -15.686  -1.667  -1.667
  670   1HB   PRO  91          2HB       PRO  91 -14.627  -3.224  -3.224
  671   2HB   PRO  91          1HB       PRO  91 -14.693  -3.733  -3.733
  672   1HG   PRO  91          2HG       PRO  91 -12.423  -2.566  -2.566
  673   2HG   PRO  91          1HG       PRO  91 -12.422  -3.903  -3.903
  674   1HD   PRO  91          2HD       PRO  91 -11.599  -1.425  -1.425
  675   2HD   PRO  91          1HD       PRO  91 -12.427  -2.493  -2.493
  676    HA   PRO  92           HA       PRO  92 -16.415   0.972   0.972
  677   1HB   PRO  92          2HB       PRO  92 -18.122  -0.471  -0.471
  678   2HB   PRO  92          1HB       PRO  92 -18.602   0.237   0.237
  679   1HG   PRO  92          2HG       PRO  92 -17.852  -2.568  -2.568
  680   2HG   PRO  92          1HG       PRO  92 -19.105  -1.961  -1.961
  681   1HD   PRO  92          2HD       PRO  92 -16.692  -2.905  -2.905
  682   2HD   PRO  92          1HD       PRO  92 -17.640  -1.691  -1.691
  683    H    ALA  93           H        ALA  93 -14.888  -2.042  -2.042
  684    HA   ALA  93           HA       ALA  93 -14.478  -1.558  -1.558
  685   1HB   ALA  93          3HB       ALA  93 -14.791  -3.807  -3.807
  686   2HB   ALA  93          2HB       ALA  93 -13.153  -3.592  -3.592
  687   3HB   ALA  93          1HB       ALA  93 -13.430  -3.711  -3.711
  688    H    LEU  94           H        LEU  94 -13.191  -0.191  -0.191
  689    HA   LEU  94           HA       LEU  94 -10.412  -0.100  -0.100
  690   1HB   LEU  94          2HB       LEU  94 -11.712   0.051   0.051
  691   2HB   LEU  94          1HB       LEU  94 -10.277   1.051   1.051
  692    HG   LEU  94           HG       LEU  94  -9.593  -1.121  -1.121
  693   1HD1  LEU  94          1HD1      LEU  94  -8.739   0.003   0.003
  694   2HD1  LEU  94          3HD1      LEU  94  -8.694  -1.752  -1.752
  695   3HD1  LEU  94          2HD1      LEU  94  -7.804  -0.969  -0.969
  696   1HD2  LEU  94          1HD2      LEU  94 -11.723  -2.024  -2.024
  697   2HD2  LEU  94          3HD2      LEU  94 -10.743  -2.974  -2.974
  698   3HD2  LEU  94          2HD2      LEU  94 -10.241  -2.800  -2.800
  699    H    VAL  95           H        VAL  95 -13.220   1.709   1.709
  700    HA   VAL  95           HA       VAL  95 -11.795   4.328   4.328
  701    HB   VAL  95           HB       VAL  95 -14.738   3.622   3.622
  702   1HG1  VAL  95          1HG1      VAL  95 -13.263   6.217   6.217
  703   2HG1  VAL  95          3HG1      VAL  95 -14.981   6.002   6.002
  704   3HG1  VAL  95          2HG1      VAL  95 -14.381   5.864   5.864
  705   1HG2  VAL  95          1HG2      VAL  95 -12.837   3.854   3.854
  706   2HG2  VAL  95          3HG2      VAL  95 -14.320   2.910   2.910
  707   3HG2  VAL  95          2HG2      VAL  95 -14.401   4.636   4.636
  708    HA   PRO  96           HA       PRO  96 -11.728   4.117   4.117
  709   1HB   PRO  96          2HB       PRO  96 -10.358   6.470   6.470
  710   2HB   PRO  96          1HB       PRO  96  -9.567   4.939   4.939
  711   1HG   PRO  96          2HG       PRO  96 -10.343   7.225   7.225
  712   2HG   PRO  96          1HG       PRO  96  -8.877   6.230   6.230
  713   1HD   PRO  96          2HD       PRO  96 -10.921   5.871   5.871
  714   2HD   PRO  96          1HD       PRO  96  -9.881   4.535   4.535
  715    HA   PRO  97           HA       PRO  97 -14.963   6.863   6.863
  716   1HB   PRO  97          2HB       PRO  97 -14.225   7.792   7.792
  717   2HB   PRO  97          1HB       PRO  97 -14.765   6.125   6.125
  718   1HG   PRO  97          2HG       PRO  97 -12.011   7.192   7.192
  719   2HG   PRO  97          1HG       PRO  97 -12.708   5.664   5.664
  720   1HD   PRO  97          2HD       PRO  97 -11.088   5.894   5.894
  721   2HD   PRO  97          1HD       PRO  97 -12.288   4.602   4.602
  722    H    SER  98           H        SER  98 -11.738   8.182   8.182
  723    HA   SER  98           HA       SER  98 -12.302  10.930  10.930
  724   1HB   SER  98          2HB       SER  98 -10.185   9.259   9.259
  725   2HB   SER  98          1HB       SER  98 -10.308  10.748  10.748
  726    HG   SER  98           HG       SER  98 -10.002  10.457  10.457
  727    H    LYS  99           H        LYS  99 -13.085   8.900   8.900
  728    HA   LYS  99           HA       LYS  99 -13.630  11.227  11.227
  729   1HB   LYS  99          2HB       LYS  99 -12.583   8.792   8.792
  730   2HB   LYS  99          1HB       LYS  99 -14.286   8.412   8.412
  731   1HG   LYS  99          2HG       LYS  99 -14.016  10.808  10.808
  732   2HG   LYS  99          1HG       LYS  99 -12.458  10.039  10.039
  733   1HD   LYS  99          2HD       LYS  99 -14.236   7.954   7.954
  734   2HD   LYS  99          1HD       LYS  99 -15.116   9.334   9.334
  735   1HE   LYS  99          2HE       LYS  99 -12.369   9.496   9.496
  736   2HE   LYS  99          1HE       LYS  99 -13.015   7.893   7.893
  737   1HZ   LYS  99          3HZ       LYS  99 -14.706  10.257  10.257
  738   2HZ   LYS  99          2HZ       LYS  99 -13.493   9.916   9.916
  739   3HZ   LYS  99          1HZ       LYS  99 -14.710   8.774   8.774
  740    H    ARG 100           H        ARG 100 -15.201  10.043  10.043
  741    HA   ARG 100           HA       ARG 100 -17.822   9.371   9.371
  742   1HB   ARG 100          2HB       ARG 100 -16.828  10.260  10.260
  743   2HB   ARG 100          1HB       ARG 100 -18.448   9.634   9.634
  744   1HG   ARG 100          2HG       ARG 100 -16.029   8.059   8.059
  745   2HG   ARG 100          1HG       ARG 100 -16.602   7.977   7.977
  746   1HD   ARG 100          2HD       ARG 100 -18.630   6.970   6.970
  747   2HD   ARG 100          1HD       ARG 100 -18.550   7.587   7.587
  748    HE   ARG 100           HE       ARG 100 -16.490   6.039   6.039
  749   1HH1  ARG 100          1HH2      ARG 100 -18.072   5.462   5.462
  750   2HH1  ARG 100          2HH2      ARG 100 -18.316   3.768   3.768
  751   1HH2  ARG 100          2HH1      ARG 100 -17.248   3.855   3.855
  752   2HH2  ARG 100          1HH1      ARG 100 -17.850   2.858   2.858

  Start of MODEL   16
    1    HA   PRO   6           HA       PRO   6 -14.334  -2.931  -2.931
    2   1HB   PRO   6          2HB       PRO   6 -12.052  -4.431  -4.431
    3   2HB   PRO   6          1HB       PRO   6 -13.352  -4.561  -4.561
    4   1HG   PRO   6          2HG       PRO   6 -12.685  -6.352  -6.352
    5   2HG   PRO   6          1HG       PRO   6 -13.342  -6.741  -6.741
    6   1HD   PRO   6          2HD       PRO   6 -14.820  -6.610  -6.610
    7   2HD   PRO   6          1HD       PRO   6 -15.490  -6.480  -6.480
    8    H    TRP   7           H        TRP   7 -11.752  -2.541  -2.541
    9    HA   TRP   7           HA       TRP   7 -11.895  -1.891  -1.891
   10   1HB   TRP   7          2HB       TRP   7 -11.342  -0.188  -0.188
   11   2HB   TRP   7          1HB       TRP   7  -9.985  -1.167  -1.167
   12    HD1  TRP   7           HD1      TRP   7 -10.572  -1.091  -1.091
   13    HE1  TRP   7           HE1      TRP   7  -8.724   0.309   0.309
   14    HE3  TRP   7           HE3      TRP   7  -8.373   0.962   0.962
   15    HZ2  TRP   7           HZ2      TRP   7  -6.597   2.068   2.068
   16    HZ3  TRP   7           HZ3      TRP   7  -6.440   2.495   2.495
   17    HH2  TRP   7           HH2      TRP   7  -5.549   3.049   3.049
   18    H    ALA   8           H        ALA   8 -10.677  -3.034  -3.034
   19    HA   ALA   8           HA       ALA   8  -9.453  -5.491  -5.491
   20   1HB   ALA   8          1HB       ALA   8  -8.795  -3.291  -3.291
   21   2HB   ALA   8          3HB       ALA   8  -8.205  -4.947  -4.947
   22   3HB   ALA   8          2HB       ALA   8  -9.934  -4.616  -4.616
   23    H    VAL   9           H        VAL   9  -8.108  -2.278  -2.278
   24    HA   VAL   9           HA       VAL   9  -5.463  -3.459  -3.459
   25    HB   VAL   9           HB       VAL   9  -6.458  -0.645  -0.645
   26   1HG1  VAL   9          2HG1      VAL   9  -4.415  -1.206  -1.206
   27   2HG1  VAL   9          1HG1      VAL   9  -3.552  -1.213  -1.213
   28   3HG1  VAL   9          3HG1      VAL   9  -4.447   0.220   0.220
   29   1HG2  VAL   9          1HG2      VAL   9  -5.036  -2.753  -2.753
   30   2HG2  VAL   9          3HG2      VAL   9  -6.215  -1.559  -1.559
   31   3HG2  VAL   9          2HG2      VAL   9  -4.542  -1.080  -1.080
   32    H    LYS  10           H        LYS  10  -4.575  -3.054  -3.054
   33    HA   LYS  10           HA       LYS  10  -6.486  -1.964  -1.964
   34   1HB   LYS  10          2HB       LYS  10  -5.133  -3.783  -3.783
   35   2HB   LYS  10          1HB       LYS  10  -6.556  -4.225  -4.225
   36   1HG   LYS  10          2HG       LYS  10  -4.914  -4.743  -4.743
   37   2HG   LYS  10          1HG       LYS  10  -3.648  -4.653  -4.653
   38   1HD   LYS  10          2HD       LYS  10  -5.955  -6.588  -6.588
   39   2HD   LYS  10          1HD       LYS  10  -4.233  -6.945  -6.945
   40   1HE   LYS  10          2HE       LYS  10  -4.608  -7.250  -7.250
   41   2HE   LYS  10          1HE       LYS  10  -4.724  -5.482  -5.482
   42   1HZ   LYS  10          1HZ       LYS  10  -7.030  -7.088  -7.088
   43   2HZ   LYS  10          3HZ       LYS  10  -6.731  -6.883  -6.883
   44   3HZ   LYS  10          2HZ       LYS  10  -7.014  -5.528  -5.528
   45    HA   PRO  11           HA       PRO  11  -3.264   0.554   0.554
   46   1HB   PRO  11          2HB       PRO  11  -3.087  -0.076  -0.076
   47   2HB   PRO  11          1HB       PRO  11  -4.394   0.908   0.908
   48   1HG   PRO  11          2HG       PRO  11  -4.367  -2.009  -2.009
   49   2HG   PRO  11          1HG       PRO  11  -5.624  -0.796  -0.796
   50   1HD   PRO  11          2HD       PRO  11  -5.841  -2.493  -2.493
   51   2HD   PRO  11          1HD       PRO  11  -6.368  -0.802  -0.802
   52    H    GLU  12           H        GLU  12  -2.995  -2.852  -2.852
   53    HA   GLU  12           HA       GLU  12  -0.146  -2.756  -2.756
   54   1HB   GLU  12          2HB       GLU  12  -1.715  -5.183  -5.183
   55   2HB   GLU  12          1HB       GLU  12  -0.402  -5.095  -5.095
   56   1HG   GLU  12          2HG       GLU  12  -2.025  -3.555  -3.555
   57   2HG   GLU  12          1HG       GLU  12  -3.276  -4.271  -4.271
   58    H    ASP  13           H        ASP  13  -2.128  -3.469  -3.469
   59    HA   ASP  13           HA       ASP  13   0.184  -4.226  -4.226
   60   1HB   ASP  13          2HB       ASP  13  -2.254  -5.081  -5.081
   61   2HB   ASP  13          1HB       ASP  13  -2.636  -3.539  -3.539
   62    H    LYS  14           H        LYS  14  -2.048  -1.498  -1.498
   63    HA   LYS  14           HA       LYS  14  -0.857   0.122   0.122
   64   1HB   LYS  14          2HB       LYS  14  -3.164   0.372   0.372
   65   2HB   LYS  14          1HB       LYS  14  -2.452   0.894   0.894
   66   1HG   LYS  14          2HG       LYS  14  -1.236   2.459   2.459
   67   2HG   LYS  14          1HG       LYS  14  -2.967   2.454   2.454
   68   1HD   LYS  14          2HD       LYS  14  -2.796   2.755   2.755
   69   2HD   LYS  14          1HD       LYS  14  -1.522   3.793   3.793
   70   1HE   LYS  14          2HE       LYS  14  -3.041   5.300   5.300
   71   2HE   LYS  14          1HE       LYS  14  -3.965   4.031   4.031
   72   1HZ   LYS  14          3HZ       LYS  14  -4.750   3.343   3.343
   73   2HZ   LYS  14          2HZ       LYS  14  -4.097   4.794   4.794
   74   3HZ   LYS  14          1HZ       LYS  14  -5.353   4.830   4.830
   75    H    ALA  15           H        ALA  15   0.055  -0.791  -0.791
   76    HA   ALA  15           HA       ALA  15   1.577   1.525   1.525
   77   1HB   ALA  15          3HB       ALA  15   1.482  -1.415  -1.415
   78   2HB   ALA  15          2HB       ALA  15   2.749  -0.401  -0.401
   79   3HB   ALA  15          1HB       ALA  15   1.054  -0.042  -0.042
   80    H    LYS  16           H        LYS  16   2.325  -1.449  -1.449
   81    HA   LYS  16           HA       LYS  16   5.129  -0.739  -0.739
   82   1HB   LYS  16          2HB       LYS  16   5.216  -2.894  -2.894
   83   2HB   LYS  16          1HB       LYS  16   3.595  -3.019  -3.019
   84   1HG   LYS  16          2HG       LYS  16   2.574  -2.598  -2.598
   85   2HG   LYS  16          1HG       LYS  16   4.106  -2.112  -2.112
   86   1HD   LYS  16          2HD       LYS  16   3.800  -4.332  -4.332
   87   2HD   LYS  16          1HD       LYS  16   4.917  -4.494  -4.494
   88   1HE   LYS  16          2HE       LYS  16   3.246  -5.340  -5.340
   89   2HE   LYS  16          1HE       LYS  16   1.932  -4.706  -4.706
   90   1HZ   LYS  16          1HZ       LYS  16   3.248  -6.201  -6.201
   91   2HZ   LYS  16          3HZ       LYS  16   3.551  -7.096  -7.096
   92   3HZ   LYS  16          2HZ       LYS  16   1.950  -6.788  -6.788
   93    H    TYR  17           H        TYR  17   2.074  -0.153  -0.153
   94    HA   TYR  17           HA       TYR  17   3.095   0.690   0.690
   95   1HB   TYR  17          2HB       TYR  17   0.528   1.242   1.242
   96   2HB   TYR  17          1HB       TYR  17   0.771   1.631   1.631
   97    HD1  TYR  17           HD1      TYR  17   2.650  -1.243  -1.243
   98    HD2  TYR  17           HD2      TYR  17  -1.436   0.035   0.035
   99    HE1  TYR  17           HE1      TYR  17   1.981  -3.543  -3.543
  100    HE2  TYR  17           HE2      TYR  17  -2.110  -2.264  -2.264
  101    HH   TYR  17           HH       TYR  17   0.318  -4.877  -4.877
  102    H    ASP  18           H        ASP  18   2.404   2.212   2.212
  103    HA   ASP  18           HA       ASP  18   2.747   4.959   4.959
  104   1HB   ASP  18          2HB       ASP  18   1.866   3.538   3.538
  105   2HB   ASP  18          1HB       ASP  18   3.290   4.420   4.420
  106    H    ALA  19           H        ALA  19   4.899   2.386   2.386
  107    HA   ALA  19           HA       ALA  19   7.182   4.107   4.107
  108   1HB   ALA  19          3HB       ALA  19   6.498   1.214   1.214
  109   2HB   ALA  19          2HB       ALA  19   8.189   1.626   1.626
  110   3HB   ALA  19          1HB       ALA  19   7.418   2.062   2.062
  111    H    ILE  20           H        ILE  20   5.881   2.270   2.270
  112    HA   ILE  20           HA       ILE  20   8.096   2.758   2.758
  113    HB   ILE  20           HB       ILE  20   5.271   1.689   1.689
  114   1HG1  ILE  20          2HG1      ILE  20   7.796   0.335   0.335
  115   2HG1  ILE  20          1HG1      ILE  20   7.368   0.372   0.372
  116   1HG2  ILE  20          2HG2      ILE  20   7.094   2.126   2.126
  117   2HG2  ILE  20          1HG2      ILE  20   5.592   1.202   1.202
  118   3HG2  ILE  20          3HG2      ILE  20   5.554   2.932   2.932
  119   1HD1  ILE  20          1HD1      ILE  20   5.078  -0.525  -0.525
  120   2HD1  ILE  20          3HD1      ILE  20   5.769  -0.816  -0.816
  121   3HD1  ILE  20          2HD1      ILE  20   6.424  -1.653  -1.653
  122    H    PHE  21           H        PHE  21   4.967   4.139   4.139
  123    HA   PHE  21           HA       PHE  21   4.823   6.062   6.062
  124   1HB   PHE  21          2HB       PHE  21   2.746   5.723   5.723
  125   2HB   PHE  21          1HB       PHE  21   3.415   5.279   5.279
  126    HD1  PHE  21           HD2      PHE  21   4.437   7.226   7.226
  127    HD2  PHE  21           HD1      PHE  21   1.673   7.789   7.789
  128    HE1  PHE  21           HE2      PHE  21   3.832   9.452   9.452
  129    HE2  PHE  21           HE1      PHE  21   1.063  10.017  10.017
  130    HZ   PHE  21           HZ       PHE  21   2.148  10.847  10.847
  131    H    ASP  22           H        ASP  22   6.153   6.021   6.021
  132    HA   ASP  22           HA       ASP  22   6.859   8.883   8.883
  133   1HB   ASP  22          2HB       ASP  22   6.047   7.831   7.831
  134   2HB   ASP  22          1HB       ASP  22   7.351   6.643   6.643
  135    H    SER  23           H        SER  23   8.154   6.067   6.067
  136    HA   SER  23           HA       SER  23  10.997   6.671   6.671
  137   1HB   SER  23          2HB       SER  23   9.354   4.584   4.584
  138   2HB   SER  23          1HB       SER  23  11.056   4.734   4.734
  139    HG   SER  23           HG       SER  23  10.108   3.433   3.433
  140    H    LEU  24           H        LEU  24   8.550   7.593   7.593
  141    HA   LEU  24           HA       LEU  24  10.436   8.368   8.368
  142   1HB   LEU  24          2HB       LEU  24   7.452   8.787   8.787
  143   2HB   LEU  24          1HB       LEU  24   8.487   8.457   8.457
  144    HG   LEU  24           HG       LEU  24   8.089   6.421   6.421
  145   1HD1  LEU  24          1HD1      LEU  24   6.326   7.082   7.082
  146   2HD1  LEU  24          3HD1      LEU  24   6.402   5.439   5.439
  147   3HD1  LEU  24          2HD1      LEU  24   5.857   6.760   6.760
  148   1HD2  LEU  24          1HD2      LEU  24   9.950   6.152   6.152
  149   2HD2  LEU  24          3HD2      LEU  24   8.745   4.869   4.869
  150   3HD2  LEU  24          2HD2      LEU  24   8.758   6.188   6.188
  151    H    SER  25           H        SER  25   8.875   9.540   9.540
  152    HA   SER  25           HA       SER  25   9.082  11.711  11.711
  153   1HB   SER  25          2HB       SER  25  10.861  11.930  11.930
  154   2HB   SER  25          1HB       SER  25   9.610  12.946  12.946
  155    HG   SER  25           HG       SER  25  11.290  13.428  13.428
  156    HA   PRO  26           HA       PRO  26   4.843  12.162  12.162
  157   1HB   PRO  26          2HB       PRO  26   3.825  12.691  12.691
  158   2HB   PRO  26          1HB       PRO  26   4.159  11.046  11.046
  159   1HG   PRO  26          2HG       PRO  26   5.720  12.752  12.752
  160   2HG   PRO  26          1HG       PRO  26   5.471  11.001  11.001
  161   1HD   PRO  26          2HD       PRO  26   7.757  12.247  12.247
  162   2HD   PRO  26          1HD       PRO  26   7.238  10.622  10.622
  163    H    VAL  27           H        VAL  27   3.617  14.013  14.013
  164    HA   VAL  27           HA       VAL  27   4.838  16.588  16.588
  165    HB   VAL  27           HB       VAL  27   3.339  15.868  15.868
  166   1HG1  VAL  27          3HG1      VAL  27   3.686  18.368  18.368
  167   2HG1  VAL  27          2HG1      VAL  27   4.894  18.317  18.317
  168   3HG1  VAL  27          1HG1      VAL  27   3.190  18.076  18.076
  169   1HG2  VAL  27          3HG2      VAL  27   5.650  14.903  14.903
  170   2HG2  VAL  27          2HG2      VAL  27   5.509  16.050  16.050
  171   3HG2  VAL  27          1HG2      VAL  27   6.269  16.545  16.545
  172    H    ASN  28           H        ASN  28   3.501  17.259  17.259
  173    HA   ASN  28           HA       ASN  28   1.520  17.918  17.918
  174   1HB   ASN  28          2HB       ASN  28   1.238  19.417  19.417
  175   2HB   ASN  28          1HB       ASN  28   0.888  18.114  18.114
  176   1HD2  ASN  28          1HD2      ASN  28  -1.286  18.077  18.077
  177   2HD2  ASN  28          2HD2      ASN  28  -2.564  18.463  18.463
  178    H    GLY  29           H        GLY  29   2.042  15.005  15.005
  179   1HA   GLY  29          2HA       GLY  29   0.872  13.061  13.061
  180   2HA   GLY  29          1HA       GLY  29  -0.626  13.994  13.994
  181    H    PHE  30           H        PHE  30   1.689  13.825  13.825
  182    HA   PHE  30           HA       PHE  30  -0.108  12.032  12.032
  183   1HB   PHE  30          2HB       PHE  30   0.523  14.919  14.919
  184   2HB   PHE  30          1HB       PHE  30  -0.196  13.785  13.785
  185    HD1  PHE  30           HD2      PHE  30  -2.406  12.769  12.769
  186    HD2  PHE  30           HD1      PHE  30  -0.755  15.860  15.860
  187    HE1  PHE  30           HE2      PHE  30  -4.655  13.191  13.191
  188    HE2  PHE  30           HE1      PHE  30  -2.984  16.278  16.278
  189    HZ   PHE  30           HZ       PHE  30  -4.944  14.948  14.948
  190    H    LEU  31           H        LEU  31   0.881  11.346  11.346
  191    HA   LEU  31           HA       LEU  31   3.827  11.883  11.883
  192   1HB   LEU  31          2HB       LEU  31   2.302   9.272   9.272
  193   2HB   LEU  31          1HB       LEU  31   3.923   9.429   9.429
  194    HG   LEU  31           HG       LEU  31   3.320  10.306  10.306
  195   1HD1  LEU  31          2HD1      LEU  31   4.145   7.557   7.557
  196   2HD1  LEU  31          1HD1      LEU  31   4.209   8.076   8.076
  197   3HD1  LEU  31          3HD1      LEU  31   2.658   7.965   7.965
  198   1HD2  LEU  31          3HD2      LEU  31   5.712   9.855   9.855
  199   2HD2  LEU  31          2HD2      LEU  31   5.423  11.102  11.102
  200   3HD2  LEU  31          1HD2      LEU  31   5.869   9.467   9.467
  201    H    SER  32           H        SER  32   4.334  12.517  12.517
  202    HA   SER  32           HA       SER  32   2.239  12.646  12.646
  203   1HB   SER  32          2HB       SER  32   3.778  14.012  14.012
  204   2HB   SER  32          1HB       SER  32   4.201  14.257  14.257
  205    HG   SER  32           HG       SER  32   5.679  13.242  13.242
  206    H    GLY  33           H        GLY  33   2.017  11.376  11.376
  207   1HA   GLY  33          2HA       GLY  33   2.781   8.725   8.725
  208   2HA   GLY  33          1HA       GLY  33   2.520   9.686   9.686
  209    H    ASP  34           H        ASP  34   4.756  11.518  11.518
  210    HA   ASP  34           HA       ASP  34   6.872  10.251  10.251
  211   1HB   ASP  34          2HB       ASP  34   6.305  12.734  12.734
  212   2HB   ASP  34          1HB       ASP  34   7.227  12.476  12.476
  213    H    LYS  35           H        LYS  35   5.848   9.827   9.827
  214    HA   LYS  35           HA       LYS  35   8.524   8.726   8.726
  215   1HB   LYS  35          2HB       LYS  35   6.237   9.585   9.585
  216   2HB   LYS  35          1HB       LYS  35   7.931   9.357   9.357
  217   1HG   LYS  35          2HG       LYS  35   8.607  11.264  11.264
  218   2HG   LYS  35          1HG       LYS  35   7.000  11.413  11.413
  219   1HD   LYS  35          2HD       LYS  35   7.312  13.077  13.077
  220   2HD   LYS  35          1HD       LYS  35   6.061  11.913  11.913
  221   1HE   LYS  35          2HE       LYS  35   7.359  11.989  11.989
  222   2HE   LYS  35          1HE       LYS  35   8.080  10.610  10.610
  223   1HZ   LYS  35          3HZ       LYS  35   9.358  12.670  12.670
  224   2HZ   LYS  35          2HZ       LYS  35   9.149  13.271  13.271
  225   3HZ   LYS  35          1HZ       LYS  35   9.964  11.802  11.802
  226    H    VAL  36           H        VAL  36   5.050   8.239   8.239
  227    HA   VAL  36           HA       VAL  36   5.183   5.550   5.550
  228    HB   VAL  36           HB       VAL  36   3.021   7.169   7.169
  229   1HG1  VAL  36          3HG1      VAL  36   2.979   4.486   4.486
  230   2HG1  VAL  36          2HG1      VAL  36   2.359   4.957   4.957
  231   3HG1  VAL  36          1HG1      VAL  36   1.530   5.482   5.482
  232   1HG2  VAL  36          1HG2      VAL  36   4.233   7.291   7.291
  233   2HG2  VAL  36          3HG2      VAL  36   2.948   8.299   8.299
  234   3HG2  VAL  36          2HG2      VAL  36   2.549   6.794   6.794
  235    H    LYS  37           H        LYS  37   4.809   7.054   7.054
  236    HA   LYS  37           HA       LYS  37   4.050   4.864   4.864
  237   1HB   LYS  37          2HB       LYS  37   4.440   7.228   7.228
  238   2HB   LYS  37          1HB       LYS  37   6.176   6.923   6.923
  239   1HG   LYS  37          2HG       LYS  37   6.147   5.774   5.774
  240   2HG   LYS  37          1HG       LYS  37   4.694   4.883   4.883
  241   1HD   LYS  37          2HD       LYS  37   3.345   6.300   6.300
  242   2HD   LYS  37          1HD       LYS  37   4.180   7.724   7.724
  243   1HE   LYS  37          2HE       LYS  37   5.255   7.965   7.965
  244   2HE   LYS  37          1HE       LYS  37   5.936   6.333   6.333
  245   1HZ   LYS  37          3HZ       LYS  37   3.159   6.895   6.895
  246   2HZ   LYS  37          2HZ       LYS  37   4.447   6.597   6.597
  247   3HZ   LYS  37          1HZ       LYS  37   3.941   5.390   5.390
  248    HA   PRO  38           HA       PRO  38   8.642   3.442   3.442
  249   1HB   PRO  38          2HB       PRO  38  10.256   4.285   4.285
  250   2HB   PRO  38          1HB       PRO  38  10.143   5.136   5.136
  251   1HG   PRO  38          2HG       PRO  38   8.819   5.755   5.755
  252   2HG   PRO  38          1HG       PRO  38   9.554   6.855   6.855
  253   1HD   PRO  38          2HD       PRO  38   6.894   6.504   6.504
  254   2HD   PRO  38          1HD       PRO  38   7.702   6.846   6.846
  255    H    VAL  39           H        VAL  39   7.077   4.098   4.098
  256    HA   VAL  39           HA       VAL  39   7.971   1.692   1.692
  257    HB   VAL  39           HB       VAL  39   5.995   3.918   3.918
  258   1HG1  VAL  39          2HG1      VAL  39   4.796   1.795   1.795
  259   2HG1  VAL  39          1HG1      VAL  39   6.062   1.513   1.513
  260   3HG1  VAL  39          3HG1      VAL  39   5.021   2.929   2.929
  261   1HG2  VAL  39          2HG2      VAL  39   8.592   3.408   3.408
  262   2HG2  VAL  39          1HG2      VAL  39   7.517   4.637   4.637
  263   3HG2  VAL  39          3HG2      VAL  39   7.629   3.051   3.051
  264    H    LEU  40           H        LEU  40   5.761   2.258   2.258
  265    HA   LEU  40           HA       LEU  40   4.087  -0.103  -0.103
  266   1HB   LEU  40          2HB       LEU  40   3.915   2.033   2.033
  267   2HB   LEU  40          1HB       LEU  40   2.751   0.726   0.726
  268    HG   LEU  40           HG       LEU  40   3.399   2.808   2.808
  269   1HD1  LEU  40          2HD1      LEU  40   1.387   2.617   2.617
  270   2HD1  LEU  40          1HD1      LEU  40   0.747   3.060   3.060
  271   3HD1  LEU  40          3HD1      LEU  40   2.009   4.041   4.041
  272   1HD2  LEU  40          3HD2      LEU  40   1.451   0.486   0.486
  273   2HD2  LEU  40          2HD2      LEU  40   2.780   0.725   0.725
  274   3HD2  LEU  40          1HD2      LEU  40   1.372   1.786   1.786
  275    H    LEU  41           H        LEU  41   6.753   0.886   0.886
  276    HA   LEU  41           HA       LEU  41   6.464  -1.244  -1.244
  277   1HB   LEU  41          2HB       LEU  41   8.687   0.738   0.738
  278   2HB   LEU  41          1HB       LEU  41   8.458  -0.175  -0.175
  279    HG   LEU  41           HG       LEU  41   6.205   1.525   1.525
  280   1HD1  LEU  41          2HD1      LEU  41   8.785   2.559   2.559
  281   2HD1  LEU  41          1HD1      LEU  41   7.957   2.945   2.945
  282   3HD1  LEU  41          3HD1      LEU  41   7.283   3.482   3.482
  283   1HD2  LEU  41          1HD2      LEU  41   7.337   0.757   0.757
  284   2HD2  LEU  41          3HD2      LEU  41   5.865   0.130   0.130
  285   3HD2  LEU  41          2HD2      LEU  41   5.944   1.814   1.814
  286    H    ASN  42           H        ASN  42   8.490  -0.454  -0.454
  287    HA   ASN  42           HA       ASN  42  10.389  -2.542  -2.542
  288   1HB   ASN  42          2HB       ASN  42  10.850  -2.115  -2.115
  289   2HB   ASN  42          1HB       ASN  42  10.351  -0.578  -0.578
  290   1HD2  ASN  42          1HD2      ASN  42   8.115   0.141   0.141
  291   2HD2  ASN  42          2HD2      ASN  42   7.282  -0.437  -0.437
  292    H    SER  43           H        SER  43   7.022  -2.656  -2.656
  293    HA   SER  43           HA       SER  43   6.970  -5.157  -5.157
  294   1HB   SER  43          2HB       SER  43   4.652  -4.361  -4.361
  295   2HB   SER  43          1HB       SER  43   4.742  -4.678  -4.678
  296    HG   SER  43           HG       SER  43   4.566  -2.361  -2.361
  297    H    LYS  44           H        LYS  44   7.849  -4.490  -4.490
  298    HA   LYS  44           HA       LYS  44   8.244  -5.933  -5.933
  299   1HB   LYS  44          2HB       LYS  44   7.989  -7.554  -7.554
  300   2HB   LYS  44          1HB       LYS  44   7.184  -8.384  -8.384
  301   1HG   LYS  44          2HG       LYS  44   9.570  -8.992  -8.992
  302   2HG   LYS  44          1HG       LYS  44   9.207  -8.100  -8.100
  303   1HD   LYS  44          2HD       LYS  44  10.096  -6.055  -6.055
  304   2HD   LYS  44          1HD       LYS  44  10.278  -6.803  -6.803
  305   1HE   LYS  44          2HE       LYS  44  11.644  -8.408  -8.408
  306   2HE   LYS  44          1HE       LYS  44  12.211  -6.728  -6.728
  307   1HZ   LYS  44          3HZ       LYS  44  12.114  -6.908  -6.908
  308   2HZ   LYS  44          2HZ       LYS  44  12.224  -8.579  -8.579
  309   3HZ   LYS  44          1HZ       LYS  44  13.452  -7.539  -7.539
  310    H    LEU  45           H        LEU  45   5.430  -4.796  -4.796
  311    HA   LEU  45           HA       LEU  45   3.628  -6.582  -6.582
  312   1HB   LEU  45          2HB       LEU  45   3.413  -4.220  -4.220
  313   2HB   LEU  45          1HB       LEU  45   2.064  -4.568  -4.568
  314    HG   LEU  45           HG       LEU  45   3.305  -6.596  -6.596
  315   1HD1  LEU  45          2HD1      LEU  45   1.739  -4.429  -4.429
  316   2HD1  LEU  45          1HD1      LEU  45   0.550  -5.712  -5.712
  317   3HD1  LEU  45          3HD1      LEU  45   1.880  -5.923  -5.923
  318   1HD2  LEU  45          2HD2      LEU  45   1.917  -7.115  -7.115
  319   2HD2  LEU  45          1HD2      LEU  45   1.761  -8.105  -8.105
  320   3HD2  LEU  45          3HD2      LEU  45   0.568  -6.854  -6.854
  321    HA   PRO  46           HA       PRO  46   3.871  -4.191  -4.191
  322   1HB   PRO  46          2HB       PRO  46   1.358  -4.590  -4.590
  323   2HB   PRO  46          1HB       PRO  46   2.626  -5.830  -5.830
  324   1HG   PRO  46          2HG       PRO  46   0.277  -5.551  -5.551
  325   2HG   PRO  46          1HG       PRO  46   1.068  -7.008  -7.008
  326   1HD   PRO  46          2HD       PRO  46   1.394  -6.001  -6.001
  327   2HD   PRO  46          1HD       PRO  46   2.541  -7.084  -7.084
  328    H    VAL  47           H        VAL  47   3.154  -2.160  -2.160
  329    HA   VAL  47           HA       VAL  47   2.345  -0.167  -0.167
  330    HB   VAL  47           HB       VAL  47   2.515  -0.414  -0.414
  331   1HG1  VAL  47          2HG1      VAL  47   1.617   2.033   2.033
  332   2HG1  VAL  47          1HG1      VAL  47   2.060   2.030   2.030
  333   3HG1  VAL  47          3HG1      VAL  47   0.646   1.129   1.129
  334   1HG2  VAL  47          1HG2      VAL  47   4.012   1.011   1.011
  335   2HG2  VAL  47          3HG2      VAL  47   4.628  -0.184  -0.184
  336   3HG2  VAL  47          2HG2      VAL  47   4.236   1.443   1.443
  337    H    ASP  48           H        ASP  48   0.387  -2.538  -2.538
  338    HA   ASP  48           HA       ASP  48  -2.052  -0.994  -0.994
  339   1HB   ASP  48          2HB       ASP  48  -1.069  -3.613  -3.613
  340   2HB   ASP  48          1HB       ASP  48  -2.498  -3.767  -3.767
  341    H    ILE  49           H        ILE  49  -0.561  -3.052  -3.052
  342    HA   ILE  49           HA       ILE  49  -2.713  -2.976  -2.976
  343    HB   ILE  49           HB       ILE  49   0.269  -3.117  -3.117
  344   1HG1  ILE  49          2HG1      ILE  49  -0.208  -4.708  -4.708
  345   2HG1  ILE  49          1HG1      ILE  49  -0.003  -5.590  -5.590
  346   1HG2  ILE  49          2HG2      ILE  49  -2.155  -3.505  -3.505
  347   2HG2  ILE  49          1HG2      ILE  49  -1.122  -4.934  -4.934
  348   3HG2  ILE  49          3HG2      ILE  49  -0.483  -3.369  -3.369
  349   1HD1  ILE  49          1HD1      ILE  49  -2.717  -4.728  -4.728
  350   2HD1  ILE  49          3HD1      ILE  49  -2.001  -6.287  -6.287
  351   3HD1  ILE  49          2HD1      ILE  49  -2.353  -5.893  -5.893
  352    H    LEU  50           H        LEU  50   0.186  -1.065  -1.065
  353    HA   LEU  50           HA       LEU  50  -0.116   0.796   0.796
  354   1HB   LEU  50          2HB       LEU  50   1.117   1.341   1.341
  355   2HB   LEU  50          1HB       LEU  50   1.636   1.955   1.955
  356    HG   LEU  50           HG       LEU  50   2.019  -0.781  -0.781
  357   1HD1  LEU  50          2HD1      LEU  50   3.657   1.449   1.449
  358   2HD1  LEU  50          1HD1      LEU  50   4.233  -0.173  -0.173
  359   3HD1  LEU  50          3HD1      LEU  50   4.009   0.310   0.310
  360   1HD2  LEU  50          1HD2      LEU  50   1.392  -0.152  -0.152
  361   2HD2  LEU  50          3HD2      LEU  50   1.359  -1.702  -1.702
  362   3HD2  LEU  50          2HD2      LEU  50   2.881  -1.067  -1.067
  363    H    GLY  51           H        GLY  51  -1.867   0.366   0.366
  364   1HA   GLY  51          2HA       GLY  51  -2.699   3.182   3.182
  365   2HA   GLY  51          1HA       GLY  51  -3.306   1.840   1.840
  366    H    ARG  52           H        ARG  52  -3.928   0.116   0.116
  367    HA   ARG  52           HA       ARG  52  -6.459   1.388   1.388
  368   1HB   ARG  52          2HB       ARG  52  -5.333  -1.354  -1.354
  369   2HB   ARG  52          1HB       ARG  52  -6.609  -1.137  -1.137
  370   1HG   ARG  52          2HG       ARG  52  -8.192  -0.532  -0.532
  371   2HG   ARG  52          1HG       ARG  52  -6.974   0.030   0.030
  372   1HD   ARG  52          2HD       ARG  52  -6.903  -2.870  -2.870
  373   2HD   ARG  52          1HD       ARG  52  -8.228  -2.323  -2.323
  374    HE   ARG  52           HE       ARG  52  -5.336  -2.146  -2.146
  375   1HH1  ARG  52          1HH2      ARG  52  -6.805   0.329   0.329
  376   2HH1  ARG  52          2HH2      ARG  52  -7.300  -0.105  -0.105
  377   1HH2  ARG  52          2HH1      ARG  52  -6.761  -3.495  -3.495
  378   2HH2  ARG  52          1HH1      ARG  52  -7.275  -2.266  -2.266
  379    H    VAL  53           H        VAL  53  -3.798  -0.483  -0.483
  380    HA   VAL  53           HA       VAL  53  -4.453  -0.311  -0.311
  381    HB   VAL  53           HB       VAL  53  -1.843  -0.048  -0.048
  382   1HG1  VAL  53          3HG1      VAL  53  -1.727   1.105   1.105
  383   2HG1  VAL  53          2HG1      VAL  53  -2.142  -0.441  -0.441
  384   3HG1  VAL  53          1HG1      VAL  53  -0.641  -0.271  -0.271
  385   1HG2  VAL  53          3HG2      VAL  53  -3.198  -2.181  -2.181
  386   2HG2  VAL  53          2HG2      VAL  53  -1.569  -2.351  -2.351
  387   3HG2  VAL  53          1HG2      VAL  53  -2.955  -2.257  -2.257
  388    H    TRP  54           H        TRP  54  -2.698   2.229   2.229
  389    HA   TRP  54           HA       TRP  54  -2.658   4.122   4.122
  390   1HB   TRP  54          2HB       TRP  54  -1.147   4.393   4.393
  391   2HB   TRP  54          1HB       TRP  54  -2.471   4.364   4.364
  392    HD1  TRP  54           HD1      TRP  54  -4.276   6.459   6.459
  393    HE1  TRP  54           HE1      TRP  54  -3.830   8.933   8.933
  394    HE3  TRP  54           HE3      TRP  54   0.284   6.003   6.003
  395    HZ2  TRP  54           HZ2      TRP  54  -1.791  10.502  10.502
  396    HZ3  TRP  54           HZ3      TRP  54   1.452   7.991   7.991
  397    HH2  TRP  54           HH2      TRP  54   0.426  10.241  10.241
  398    H    GLU  55           H        GLU  55  -4.702   4.080   4.080
  399    HA   GLU  55           HA       GLU  55  -6.423   6.183   6.183
  400   1HB   GLU  55          2HB       GLU  55  -7.501   5.551   5.551
  401   2HB   GLU  55          1HB       GLU  55  -6.115   4.481   4.481
  402   1HG   GLU  55          2HG       GLU  55  -7.317   2.646   2.646
  403   2HG   GLU  55          1HG       GLU  55  -8.670   3.698   3.698
  404    H    LEU  56           H        LEU  56  -6.528   2.761   2.761
  405    HA   LEU  56           HA       LEU  56  -9.006   3.001   3.001
  406   1HB   LEU  56          2HB       LEU  56  -6.899   0.833   0.833
  407   2HB   LEU  56          1HB       LEU  56  -8.428   0.608   0.608
  408    HG   LEU  56           HG       LEU  56  -8.145   1.422   1.422
  409   1HD1  LEU  56          1HD1      LEU  56  -7.503  -0.949  -0.949
  410   2HD1  LEU  56          3HD1      LEU  56  -9.131  -1.188  -1.188
  411   3HD1  LEU  56          2HD1      LEU  56  -8.895  -0.814  -0.814
  412   1HD2  LEU  56          1HD2      LEU  56 -10.456   1.147   1.147
  413   2HD2  LEU  56          3HD2      LEU  56 -10.215   2.297   2.297
  414   3HD2  LEU  56          2HD2      LEU  56 -10.692   0.638   0.638
  415    H    SER  57           H        SER  57  -5.655   3.573   3.573
  416    HA   SER  57           HA       SER  57  -5.826   3.224   3.224
  417   1HB   SER  57          2HB       SER  57  -3.657   3.695   3.695
  418   2HB   SER  57          1HB       SER  57  -3.346   3.913   3.913
  419    HG   SER  57           HG       SER  57  -4.103   1.585   1.585
  420    H    ASP  58           H        ASP  58  -5.403   5.695   5.695
  421    HA   ASP  58           HA       ASP  58  -4.937   7.886   7.886
  422   1HB   ASP  58          2HB       ASP  58  -4.373   7.512   7.512
  423   2HB   ASP  58          1HB       ASP  58  -5.991   8.172   8.172
  424    H    ILE  59           H        ILE  59  -6.903   7.059   7.059
  425    HA   ILE  59           HA       ILE  59  -9.540   7.029   7.029
  426    HB   ILE  59           HB       ILE  59  -8.141   8.595   8.595
  427   1HG1  ILE  59          2HG1      ILE  59  -7.526   6.215   6.215
  428   2HG1  ILE  59          1HG1      ILE  59  -8.557   6.514   6.514
  429   1HG2  ILE  59          1HG2      ILE  59 -11.017   7.914   7.914
  430   2HG2  ILE  59          3HG2      ILE  59 -10.417   7.889   7.889
  431   3HG2  ILE  59          2HG2      ILE  59 -10.314   9.369   9.369
  432   1HD1  ILE  59          1HD1      ILE  59 -10.526   5.860   5.860
  433   2HD1  ILE  59          3HD1      ILE  59  -9.306   5.225   5.225
  434   3HD1  ILE  59          2HD1      ILE  59  -9.458   4.557   4.557
  435    H    ASP  60           H        ASP  60  -7.536   9.941   9.941
  436    HA   ASP  60           HA       ASP  60  -9.969  11.523  11.523
  437   1HB   ASP  60          2HB       ASP  60  -8.714  13.422  13.422
  438   2HB   ASP  60          1HB       ASP  60  -8.335  12.159  12.159
  439    H    HIS  61           H        HIS  61  -7.142  10.110  10.110
  440    HA   HIS  61           HA       HIS  61  -6.337  10.207  10.207
  441   1HB   HIS  61          2HB       HIS  61  -8.770  11.653  11.653
  442   2HB   HIS  61          1HB       HIS  61  -8.048  10.176  10.176
  443    HD1  HIS  61           HD1      HIS  61 -10.934  11.311  11.311
  444    HD2  HIS  61           HD2      HIS  61  -8.546   7.905   7.905
  445    HE1  HIS  61           HE1      HIS  61 -12.305   9.548   9.548
  446    H    ASP  62           H        ASP  62  -5.940  12.498  12.498
  447    HA   ASP  62           HA       ASP  62  -6.122  14.920  14.920
  448   1HB   ASP  62          2HB       ASP  62  -5.456  15.987  15.987
  449   2HB   ASP  62          1HB       ASP  62  -6.384  14.592  14.592
  450    H    GLY  63           H        GLY  63  -3.925  12.335  12.335
  451   1HA   GLY  63          2HA       GLY  63  -2.078  12.306  12.306
  452   2HA   GLY  63          1HA       GLY  63  -1.758  13.981  13.981
  453    H    MET  64           H        MET  64  -2.622  12.291  12.291
  454    HA   MET  64           HA       MET  64   0.096  11.283  11.283
  455   1HB   MET  64          2HB       MET  64  -1.094  13.151  13.151
  456   2HB   MET  64          1HB       MET  64   0.600  12.850  12.850
  457   1HG   MET  64          2HG       MET  64   0.185  14.031  14.031
  458   2HG   MET  64          1HG       MET  64  -1.373  14.528  14.528
  459   1HE   MET  64          3HE       MET  64   2.294  14.204  14.204
  460   2HE   MET  64          2HE       MET  64   2.802  15.537  15.537
  461   3HE   MET  64          1HE       MET  64   1.983  14.146  14.146
  462    H    LEU  65           H        LEU  65   0.123  10.039  10.039
  463    HA   LEU  65           HA       LEU  65  -2.621   9.049   9.049
  464   1HB   LEU  65          2HB       LEU  65   0.117   7.718   7.718
  465   2HB   LEU  65          1HB       LEU  65  -1.349   6.945   6.945
  466    HG   LEU  65           HG       LEU  65  -1.352   8.134   8.134
  467   1HD1  LEU  65          2HD1      LEU  65   0.257   5.840   5.840
  468   2HD1  LEU  65          1HD1      LEU  65  -0.781   5.484   5.484
  469   3HD1  LEU  65          3HD1      LEU  65   0.404   6.787   6.787
  470   1HD2  LEU  65          3HD2      LEU  65  -3.387   7.202   7.202
  471   2HD2  LEU  65          2HD2      LEU  65  -3.071   6.504   6.504
  472   3HD2  LEU  65          1HD2      LEU  65  -2.627   5.617   5.617
  473    H    ASP  66           H        ASP  66  -3.154   9.871   9.871
  474    HA   ASP  66           HA       ASP  66  -1.190  10.896  10.896
  475   1HB   ASP  66          2HB       ASP  66  -3.377  11.797  11.797
  476   2HB   ASP  66          1HB       ASP  66  -4.123  10.203  10.203
  477    H    ARG  67           H        ARG  67  -1.130  10.007  10.007
  478    HA   ARG  67           HA       ARG  67   0.111   7.531   7.531
  479   1HB   ARG  67          2HB       ARG  67  -0.377   7.699   7.699
  480   2HB   ARG  67          1HB       ARG  67  -0.099   9.320   9.320
  481   1HG   ARG  67          2HG       ARG  67  -2.637   9.459   9.459
  482   2HG   ARG  67          1HG       ARG  67  -2.736   8.021   8.021
  483   1HD   ARG  67          2HD       ARG  67  -1.418  10.641  10.641
  484   2HD   ARG  67          1HD       ARG  67  -2.987  10.053  10.053
  485    HE   ARG  67           HE       ARG  67  -0.598   8.307   8.307
  486   1HH1  ARG  67          1HH2      ARG  67  -1.378  10.898  10.898
  487   2HH1  ARG  67          2HH2      ARG  67  -1.950  10.086  10.086
  488   1HH2  ARG  67          2HH1      ARG  67  -2.079   6.970   6.970
  489   2HH2  ARG  67          1HH1      ARG  67  -2.345   7.861   7.861
  490    H    ASP  68           H        ASP  68  -3.381   8.165   8.165
  491    HA   ASP  68           HA       ASP  68  -4.032   5.356   5.356
  492   1HB   ASP  68          2HB       ASP  68  -5.277   7.973   7.973
  493   2HB   ASP  68          1HB       ASP  68  -6.305   6.820   6.820
  494    H    GLU  69           H        GLU  69  -4.003   7.554   7.554
  495    HA   GLU  69           HA       GLU  69  -5.368   5.700   5.700
  496   1HB   GLU  69          2HB       GLU  69  -3.529   8.050   8.050
  497   2HB   GLU  69          1HB       GLU  69  -4.711   7.359   7.359
  498   1HG   GLU  69          2HG       GLU  69  -6.478   7.878   7.878
  499   2HG   GLU  69          1HG       GLU  69  -5.245   8.833   8.833
  500    H    PHE  70           H        PHE  70  -1.979   6.608   6.608
  501    HA   PHE  70           HA       PHE  70  -0.758   4.956   4.956
  502   1HB   PHE  70          2HB       PHE  70   0.219   6.823   6.823
  503   2HB   PHE  70          1HB       PHE  70   0.286   5.665   5.665
  504    HD1  PHE  70           HD2      PHE  70   1.544   3.439   3.439
  505    HD2  PHE  70           HD1      PHE  70   1.938   6.913   6.913
  506    HE1  PHE  70           HE2      PHE  70   3.679   2.552   2.552
  507    HE2  PHE  70           HE1      PHE  70   4.067   6.026   6.026
  508    HZ   PHE  70           HZ       PHE  70   4.934   3.850   3.850
  509    H    ALA  71           H        ALA  71  -2.275   4.229   4.229
  510    HA   ALA  71           HA       ALA  71  -0.969   1.673   1.673
  511   1HB   ALA  71          1HB       ALA  71  -2.311   3.285   3.285
  512   2HB   ALA  71          3HB       ALA  71  -3.734   2.469   2.469
  513   3HB   ALA  71          2HB       ALA  71  -2.512   1.547   1.547
  514    H    VAL  72           H        VAL  72  -3.984   2.716   2.716
  515    HA   VAL  72           HA       VAL  72  -5.064   0.126   0.126
  516    HB   VAL  72           HB       VAL  72  -5.288   2.772   2.772
  517   1HG1  VAL  72          2HG1      VAL  72  -6.248   0.286   0.286
  518   2HG1  VAL  72          1HG1      VAL  72  -7.621   1.000   1.000
  519   3HG1  VAL  72          3HG1      VAL  72  -6.902   1.837   1.837
  520   1HG2  VAL  72          1HG2      VAL  72  -5.795   2.743   2.743
  521   2HG2  VAL  72          3HG2      VAL  72  -7.104   3.302   3.302
  522   3HG2  VAL  72          2HG2      VAL  72  -7.139   1.667   1.667
  523    H    ALA  73           H        ALA  73  -2.586   2.078   2.078
  524    HA   ALA  73           HA       ALA  73  -2.495   0.402   0.402
  525   1HB   ALA  73          2HB       ALA  73  -1.914   3.041   3.041
  526   2HB   ALA  73          1HB       ALA  73  -0.342   2.309   2.309
  527   3HB   ALA  73          3HB       ALA  73  -1.603   2.302   2.302
  528    H    MET  74           H        MET  74  -1.235   0.185   0.185
  529    HA   MET  74           HA       MET  74   1.407  -0.890  -0.890
  530   1HB   MET  74          2HB       MET  74  -0.187  -0.340  -0.340
  531   2HB   MET  74          1HB       MET  74   1.181  -1.448  -1.448
  532   1HG   MET  74          2HG       MET  74   1.476   1.238   1.238
  533   2HG   MET  74          1HG       MET  74   1.625   1.074   1.074
  534   1HE   MET  74          2HE       MET  74   2.821   0.990   0.990
  535   2HE   MET  74          1HE       MET  74   4.534   0.574   0.574
  536   3HE   MET  74          3HE       MET  74   3.322  -0.684  -0.684
  537    H    PHE  75           H        PHE  75  -1.589  -2.175  -2.175
  538    HA   PHE  75           HA       PHE  75  -0.688  -4.938  -4.938
  539   1HB   PHE  75          2HB       PHE  75  -2.727  -5.390  -5.390
  540   2HB   PHE  75          1HB       PHE  75  -2.502  -3.701  -3.701
  541    HD1  PHE  75           HD1      PHE  75  -4.216  -5.974  -5.974
  542    HD2  PHE  75           HD2      PHE  75  -3.951  -1.990  -1.990
  543    HE1  PHE  75           HE1      PHE  75  -6.321  -5.379  -5.379
  544    HE2  PHE  75           HE2      PHE  75  -6.053  -1.392  -1.392
  545    HZ   PHE  75           HZ       PHE  75  -7.240  -3.091  -3.091
  546    H    LEU  76           H        LEU  76  -2.484  -2.644  -2.644
  547    HA   LEU  76           HA       LEU  76  -3.586  -4.381  -4.381
  548   1HB   LEU  76          2HB       LEU  76  -2.809  -1.513  -1.513
  549   2HB   LEU  76          1HB       LEU  76  -3.130  -2.092  -2.092
  550    HG   LEU  76           HG       LEU  76  -5.010  -2.206  -2.206
  551   1HD1  LEU  76          2HD1      LEU  76  -4.727  -0.518  -0.518
  552   2HD1  LEU  76          1HD1      LEU  76  -6.366  -0.986  -0.986
  553   3HD1  LEU  76          3HD1      LEU  76  -5.360  -0.099  -0.099
  554   1HD2  LEU  76          1HD2      LEU  76  -4.956  -3.671  -3.671
  555   2HD2  LEU  76          3HD2      LEU  76  -5.668  -4.144  -4.144
  556   3HD2  LEU  76          2HD2      LEU  76  -6.513  -3.005  -3.005
  557    H    VAL  77           H        VAL  77  -0.406  -3.009  -3.009
  558    HA   VAL  77           HA       VAL  77   0.625  -4.002  -4.002
  559    HB   VAL  77           HB       VAL  77   1.709  -2.389  -2.389
  560   1HG1  VAL  77          3HG1      VAL  77   3.147  -3.880  -3.880
  561   2HG1  VAL  77          2HG1      VAL  77   3.514  -2.156  -2.156
  562   3HG1  VAL  77          1HG1      VAL  77   3.772  -3.075  -3.075
  563   1HG2  VAL  77          3HG2      VAL  77   0.101  -1.560  -1.560
  564   2HG2  VAL  77          2HG2      VAL  77   1.411  -0.544  -0.544
  565   3HG2  VAL  77          1HG2      VAL  77   1.624  -1.469  -1.469
  566    H    TYR  78           H        TYR  78   1.094  -4.556  -4.556
  567    HA   TYR  78           HA       TYR  78   3.109  -6.603  -6.603
  568   1HB   TYR  78          2HB       TYR  78   1.632  -5.261  -5.261
  569   2HB   TYR  78          1HB       TYR  78   2.022  -6.944  -6.944
  570    HD1  TYR  78           HD2      TYR  78   4.513  -7.514  -7.514
  571    HD2  TYR  78           HD1      TYR  78   3.204  -3.812  -3.812
  572    HE1  TYR  78           HE2      TYR  78   6.876  -6.876  -6.876
  573    HE2  TYR  78           HE1      TYR  78   5.557  -3.173  -3.173
  574    HH   TYR  78           HH       TYR  78   7.771  -4.443  -4.443
  575    H    CYS  79           H        CYS  79  -0.408  -6.671  -6.671
  576    HA   CYS  79           HA       CYS  79  -0.478  -9.583  -9.583
  577   1HB   CYS  79          2HB       CYS  79  -2.655  -7.497  -7.497
  578   2HB   CYS  79          1HB       CYS  79  -2.924  -9.174  -9.174
  579    HG   CYS  79           HG       CYS  79  -1.205  -7.354  -7.354
  580    H    ALA  80           H        ALA  80  -0.320  -7.248  -7.248
  581    HA   ALA  80           HA       ALA  80  -1.712  -8.854  -8.854
  582   1HB   ALA  80          2HB       ALA  80   0.217  -6.508  -6.508
  583   2HB   ALA  80          1HB       ALA  80  -0.664  -7.142  -7.142
  584   3HB   ALA  80          3HB       ALA  80  -1.544  -6.414  -6.414
  585    H    LEU  81           H        LEU  81   1.259  -8.939  -8.939
  586    HA   LEU  81           HA       LEU  81   2.795 -10.198 -10.198
  587   1HB   LEU  81          2HB       LEU  81   3.565  -9.933  -9.933
  588   2HB   LEU  81          1HB       LEU  81   4.618  -9.907  -9.907
  589    HG   LEU  81           HG       LEU  81   2.778  -7.759  -7.759
  590   1HD1  LEU  81          3HD1      LEU  81   5.263  -8.025  -8.025
  591   2HD1  LEU  81          2HD1      LEU  81   5.610  -7.519  -7.519
  592   3HD1  LEU  81          1HD1      LEU  81   4.737  -6.439  -6.439
  593   1HD2  LEU  81          3HD2      LEU  81   3.789  -8.232  -8.232
  594   2HD2  LEU  81          2HD2      LEU  81   2.198  -7.677  -7.677
  595   3HD2  LEU  81          1HD2      LEU  81   3.580  -6.582  -6.582
  596    H    GLU  82           H        GLU  82   1.675 -11.028 -11.028
  597    HA   GLU  82           HA       GLU  82   1.684 -13.917 -13.917
  598   1HB   GLU  82          2HB       GLU  82   2.348 -13.188 -13.188
  599   2HB   GLU  82          1HB       GLU  82   3.032 -14.452 -14.452
  600   1HG   GLU  82          2HG       GLU  82   4.117 -12.501 -12.501
  601   2HG   GLU  82          1HG       GLU  82   3.729 -11.520 -11.520
  602    H    LYS  83           H        LYS  83  -0.695 -12.150 -12.150
  603    HA   LYS  83           HA       LYS  83  -2.200 -13.804 -13.804
  604   1HB   LYS  83          2HB       LYS  83  -1.214 -12.092 -12.092
  605   2HB   LYS  83          1HB       LYS  83  -1.840 -10.824 -10.824
  606   1HG   LYS  83          2HG       LYS  83  -4.094 -11.306 -11.306
  607   2HG   LYS  83          1HG       LYS  83  -3.658 -12.852 -12.852
  608   1HD   LYS  83          2HD       LYS  83  -2.218 -10.647 -10.647
  609   2HD   LYS  83          1HD       LYS  83  -3.966 -10.425 -10.425
  610   1HE   LYS  83          2HE       LYS  83  -4.079 -12.868 -12.868
  611   2HE   LYS  83          1HE       LYS  83  -2.322 -12.754 -12.754
  612   1HZ   LYS  83          3HZ       LYS  83  -4.107 -10.641 -10.641
  613   2HZ   LYS  83          2HZ       LYS  83  -3.841 -12.050 -12.050
  614   3HZ   LYS  83          1HZ       LYS  83  -2.537 -11.042 -11.042
  615    H    GLU  84           H        GLU  84  -3.261 -10.560 -10.560
  616    HA   GLU  84           HA       GLU  84  -5.299 -11.756 -11.756
  617   1HB   GLU  84          2HB       GLU  84  -5.340  -9.788  -9.788
  618   2HB   GLU  84          1HB       GLU  84  -6.464  -9.511  -9.511
  619   1HG   GLU  84          2HG       GLU  84  -6.542 -12.293 -12.293
  620   2HG   GLU  84          1HG       GLU  84  -6.685 -11.403 -11.403
  621    HA   PRO  85           HA       PRO  85  -3.866  -8.962  -8.962
  622   1HB   PRO  85          2HB       PRO  85  -6.076  -8.979  -8.979
  623   2HB   PRO  85          1HB       PRO  85  -4.959 -10.353 -10.353
  624   1HG   PRO  85          2HG       PRO  85  -7.622  -9.983  -9.983
  625   2HG   PRO  85          1HG       PRO  85  -6.878 -11.446 -11.446
  626   1HD   PRO  85          2HD       PRO  85  -7.023 -10.855 -10.855
  627   2HD   PRO  85          1HD       PRO  85  -5.812 -11.934 -11.934
  628    H    VAL  86           H        VAL  86  -5.450  -7.189  -7.189
  629    HA   VAL  86           HA       VAL  86  -6.422  -5.319  -5.319
  630    HB   VAL  86           HB       VAL  86  -5.325  -4.685  -4.685
  631   1HG1  VAL  86          1HG1      VAL  86  -5.660  -3.034  -3.034
  632   2HG1  VAL  86          3HG1      VAL  86  -4.943  -2.462  -2.462
  633   3HG1  VAL  86          2HG1      VAL  86  -6.648  -2.906  -2.906
  634   1HG2  VAL  86          2HG2      VAL  86  -3.966  -5.638  -5.638
  635   2HG2  VAL  86          1HG2      VAL  86  -3.298  -5.293  -5.293
  636   3HG2  VAL  86          3HG2      VAL  86  -3.440  -4.004  -4.004
  637    HA   PRO  87           HA       PRO  87 -10.206  -5.499  -5.499
  638   1HB   PRO  87          2HB       PRO  87 -11.558  -3.602  -3.602
  639   2HB   PRO  87          1HB       PRO  87 -11.228  -5.227  -5.227
  640   1HG   PRO  87          2HG       PRO  87 -10.047  -2.666  -2.666
  641   2HG   PRO  87          1HG       PRO  87 -10.079  -4.199  -4.199
  642   1HD   PRO  87          2HD       PRO  87  -7.927  -3.067  -3.067
  643   2HD   PRO  87          1HD       PRO  87  -7.948  -4.597  -4.597
  644    H    MET  88           H        MET  88 -11.870  -3.307  -3.307
  645    HA   MET  88           HA       MET  88 -10.105  -1.434  -1.434
  646   1HB   MET  88          2HB       MET  88 -12.652  -2.870  -2.870
  647   2HB   MET  88          1HB       MET  88 -11.917  -1.595  -1.595
  648   1HG   MET  88          2HG       MET  88 -10.212  -2.938  -2.938
  649   2HG   MET  88          1HG       MET  88 -10.069  -3.740  -3.740
  650   1HE   MET  88          2HE       MET  88 -10.890  -5.867  -5.867
  651   2HE   MET  88          1HE       MET  88 -11.302  -7.051  -7.051
  652   3HE   MET  88          3HE       MET  88  -9.798  -6.129  -6.129
  653    H    SER  89           H        SER  89 -12.023  -1.441  -1.441
  654    HA   SER  89           HA       SER  89 -12.791   1.349   1.349
  655   1HB   SER  89          2HB       SER  89 -14.547   0.334   0.334
  656   2HB   SER  89          1HB       SER  89 -14.794  -0.894  -0.894
  657    HG   SER  89           HG       SER  89 -15.939   1.494   1.494
  658    H    LEU  90           H        LEU  90 -11.474  -0.585  -0.585
  659    HA   LEU  90           HA       LEU  90 -11.200  -0.819  -0.819
  660   1HB   LEU  90          2HB       LEU  90 -12.154   1.831   1.831
  661   2HB   LEU  90          1HB       LEU  90 -12.709   1.381   1.381
  662    HG   LEU  90           HG       LEU  90  -9.864   1.498   1.498
  663   1HD1  LEU  90          3HD1      LEU  90 -11.606   3.100   3.100
  664   2HD1  LEU  90          2HD1      LEU  90 -10.030   2.736   2.736
  665   3HD1  LEU  90          1HD1      LEU  90 -10.133   3.566   3.566
  666   1HD2  LEU  90          2HD2      LEU  90 -11.080  -0.088  -0.088
  667   2HD2  LEU  90          1HD2      LEU  90  -9.588  -0.373  -0.373
  668   3HD2  LEU  90          3HD2      LEU  90  -9.619   0.808   0.808
  669    HA   PRO  91           HA       PRO  91 -15.126  -2.804  -2.804
  670   1HB   PRO  91          2HB       PRO  91 -14.140  -4.428  -4.428
  671   2HB   PRO  91          1HB       PRO  91 -13.967  -4.795  -4.795
  672   1HG   PRO  91          2HG       PRO  91 -11.994  -3.651  -3.651
  673   2HG   PRO  91          1HG       PRO  91 -11.748  -4.792  -4.792
  674   1HD   PRO  91          2HD       PRO  91 -11.149  -2.124  -2.124
  675   2HD   PRO  91          1HD       PRO  91 -11.548  -3.131  -3.131
  676    HA   PRO  92           HA       PRO  92 -16.313  -0.609  -0.609
  677   1HB   PRO  92          2HB       PRO  92 -17.869  -2.345  -2.345
  678   2HB   PRO  92          1HB       PRO  92 -18.389  -1.616  -1.616
  679   1HG   PRO  92          2HG       PRO  92 -17.333  -4.340  -4.340
  680   2HG   PRO  92          1HG       PRO  92 -18.583  -3.818  -3.818
  681   1HD   PRO  92          2HD       PRO  92 -15.997  -4.424  -4.424
  682   2HD   PRO  92          1HD       PRO  92 -17.067  -3.355  -3.355
  683    H    ALA  93           H        ALA  93 -14.598  -3.581  -3.581
  684    HA   ALA  93           HA       ALA  93 -14.176  -2.993  -2.993
  685   1HB   ALA  93          3HB       ALA  93 -14.318  -5.258  -5.258
  686   2HB   ALA  93          2HB       ALA  93 -12.584  -5.083  -5.083
  687   3HB   ALA  93          1HB       ALA  93 -13.681  -5.216  -5.216
  688    H    LEU  94           H        LEU  94 -13.174  -1.179  -1.179
  689    HA   LEU  94           HA       LEU  94 -10.254  -1.355  -1.355
  690   1HB   LEU  94          2HB       LEU  94 -11.757  -1.279  -1.279
  691   2HB   LEU  94          1HB       LEU  94 -10.545   0.001   0.001
  692    HG   LEU  94           HG       LEU  94  -9.504  -1.969  -1.969
  693   1HD1  LEU  94          2HD1      LEU  94  -8.716  -0.777  -0.777
  694   2HD1  LEU  94          1HD1      LEU  94  -8.194  -2.461  -2.461
  695   3HD1  LEU  94          3HD1      LEU  94  -7.698  -1.348  -1.348
  696   1HD2  LEU  94          1HD2      LEU  94 -11.235  -3.287  -3.287
  697   2HD2  LEU  94          3HD2      LEU  94 -10.249  -4.010  -4.010
  698   3HD2  LEU  94          2HD2      LEU  94  -9.573  -3.780  -3.780
  699    H    VAL  95           H        VAL  95 -13.063   0.724   0.724
  700    HA   VAL  95           HA       VAL  95 -11.456   3.183   3.183
  701    HB   VAL  95           HB       VAL  95 -13.725   4.214   4.214
  702   1HG1  VAL  95          1HG1      VAL  95 -12.184   3.252   3.252
  703   2HG1  VAL  95          3HG1      VAL  95 -13.492   2.083   2.083
  704   3HG1  VAL  95          2HG1      VAL  95 -13.816   3.805   3.805
  705   1HG2  VAL  95          3HG2      VAL  95 -14.593   1.746   1.746
  706   2HG2  VAL  95          2HG2      VAL  95 -15.620   3.005   3.005
  707   3HG2  VAL  95          1HG2      VAL  95 -15.012   1.704   1.704
  708    HA   PRO  96           HA       PRO  96 -11.973   3.166   3.166
  709   1HB   PRO  96          2HB       PRO  96 -11.203   5.759   5.759
  710   2HB   PRO  96          1HB       PRO  96 -10.049   4.454   4.454
  711   1HG   PRO  96          2HG       PRO  96 -11.130   6.550   6.550
  712   2HG   PRO  96          1HG       PRO  96  -9.497   5.877   5.877
  713   1HD   PRO  96          2HD       PRO  96 -11.298   5.150   5.150
  714   2HD   PRO  96          1HD       PRO  96 -10.011   4.071   4.071
  715    HA   PRO  97           HA       PRO  97 -15.937   4.952   4.952
  716   1HB   PRO  97          2HB       PRO  97 -15.906   5.618   5.618
  717   2HB   PRO  97          1HB       PRO  97 -15.997   3.941   3.941
  718   1HG   PRO  97          2HG       PRO  97 -13.647   5.468   5.468
  719   2HG   PRO  97          1HG       PRO  97 -14.098   3.778   3.778
  720   1HD   PRO  97          2HD       PRO  97 -12.184   4.544   4.544
  721   2HD   PRO  97          1HD       PRO  97 -13.159   3.069   3.069
  722    H    SER  98           H        SER  98 -13.156   6.914   6.914
  723    HA   SER  98           HA       SER  98 -14.780   9.352   9.352
  724   1HB   SER  98          2HB       SER  98 -12.749   8.974   8.974
  725   2HB   SER  98          1HB       SER  98 -11.786   8.859   8.859
  726    HG   SER  98           HG       SER  98 -13.159  11.093  11.093
  727    H    LYS  99           H        LYS  99 -13.835   7.525   7.525
  728    HA   LYS  99           HA       LYS  99 -13.406   9.893   9.893
  729   1HB   LYS  99          2HB       LYS  99 -12.672   6.983   6.983
  730   2HB   LYS  99          1HB       LYS  99 -12.814   7.837   7.837
  731   1HG   LYS  99          2HG       LYS  99 -11.119   8.784   8.784
  732   2HG   LYS  99          1HG       LYS  99 -10.492   7.900   7.900
  733   1HD   LYS  99          2HD       LYS  99 -11.536   9.729   9.729
  734   2HD   LYS  99          1HD       LYS  99 -11.761  10.645  10.645
  735   1HE   LYS  99          2HE       LYS  99  -9.088   9.720   9.720
  736   2HE   LYS  99          1HE       LYS  99  -9.354  10.348  10.348
  737   1HZ   LYS  99          3HZ       LYS  99 -10.639  12.190  12.190
  738   2HZ   LYS  99          2HZ       LYS  99  -9.610  11.724  11.724
  739   3HZ   LYS  99          1HZ       LYS  99  -8.956  12.290  12.290
  740    H    ARG 100           H        ARG 100 -15.869   7.925   7.925
  741    HA   ARG 100           HA       ARG 100 -17.584   8.693   8.693
  742   1HB   ARG 100          2HB       ARG 100 -17.974   6.545   6.545
  743   2HB   ARG 100          1HB       ARG 100 -16.274   6.429   6.429
  744   1HG   ARG 100          2HG       ARG 100 -18.596   5.567   5.567
  745   2HG   ARG 100          1HG       ARG 100 -17.581   4.477   4.477
  746   1HD   ARG 100          2HD       ARG 100 -15.762   6.049   6.049
  747   2HD   ARG 100          1HD       ARG 100 -17.043   5.666   5.666
  748    HE   ARG 100           HE       ARG 100 -15.173   3.761   3.761
  749   1HH1  ARG 100          1HH2      ARG 100 -18.428   4.265   4.265
  750   2HH1  ARG 100          2HH2      ARG 100 -18.824   2.579   2.579
  751   1HH2  ARG 100          2HH1      ARG 100 -15.721   1.547   1.547
  752   2HH2  ARG 100          1HH1      ARG 100 -17.293   1.041   1.041

  Start of MODEL   17
    1    HA   PRO   6           HA       PRO   6 -13.757  -2.920  -2.920
    2   1HB   PRO   6          2HB       PRO   6 -11.131  -2.881  -2.881
    3   2HB   PRO   6          1HB       PRO   6 -12.447  -3.347  -3.347
    4   1HG   PRO   6          2HG       PRO   6 -10.533  -5.065  -5.065
    5   2HG   PRO   6          1HG       PRO   6 -11.189  -5.261  -5.261
    6   1HD   PRO   6          2HD       PRO   6 -12.087  -6.655  -6.655
    7   2HD   PRO   6          1HD       PRO   6 -13.085  -6.297  -6.297
    8    H    TRP   7           H        TRP   7 -11.582  -1.421  -1.421
    9    HA   TRP   7           HA       TRP   7 -11.612  -1.100  -1.100
   10   1HB   TRP   7          2HB       TRP   7 -10.689   0.506   0.506
   11   2HB   TRP   7          1HB       TRP   7  -9.409  -0.621  -0.621
   12    HD1  TRP   7           HD1      TRP   7 -10.328  -0.404  -0.404
   13    HE1  TRP   7           HE1      TRP   7  -8.427   0.764   0.764
   14    HE3  TRP   7           HE3      TRP   7  -7.488   1.237   1.237
   15    HZ2  TRP   7           HZ2      TRP   7  -6.015   2.206   2.206
   16    HZ3  TRP   7           HZ3      TRP   7  -5.397   2.503   2.503
   17    HH2  TRP   7           HH2      TRP   7  -4.658   2.991   2.991
   18    H    ALA   8           H        ALA   8 -10.748  -2.267  -2.267
   19    HA   ALA   8           HA       ALA   8  -9.765  -4.827  -4.827
   20   1HB   ALA   8          2HB       ALA   8  -9.053  -2.469  -2.469
   21   2HB   ALA   8          1HB       ALA   8  -8.515  -4.107  -4.107
   22   3HB   ALA   8          3HB       ALA   8 -10.237  -3.736  -3.736
   23    H    VAL   9           H        VAL   9  -7.988  -1.919  -1.919
   24    HA   VAL   9           HA       VAL   9  -5.469  -3.501  -3.501
   25    HB   VAL   9           HB       VAL   9  -6.086  -0.527  -0.527
   26   1HG1  VAL   9          1HG1      VAL   9  -3.463  -2.039  -2.039
   27   2HG1  VAL   9          3HG1      VAL   9  -3.585  -0.310  -0.310
   28   3HG1  VAL   9          2HG1      VAL   9  -4.135  -0.959  -0.959
   29   1HG2  VAL   9          2HG2      VAL   9  -6.335  -1.668  -1.668
   30   2HG2  VAL   9          1HG2      VAL   9  -4.992  -0.525  -0.525
   31   3HG2  VAL   9          3HG2      VAL   9  -4.677  -2.257  -2.257
   32    H    LYS  10           H        LYS  10  -4.583  -3.862  -3.862
   33    HA   LYS  10           HA       LYS  10  -6.252  -3.136  -3.136
   34   1HB   LYS  10          2HB       LYS  10  -4.561  -5.313  -5.313
   35   2HB   LYS  10          1HB       LYS  10  -4.060  -4.769  -4.769
   36   1HG   LYS  10          2HG       LYS  10  -6.448  -4.930  -4.930
   37   2HG   LYS  10          1HG       LYS  10  -6.849  -5.619  -5.619
   38   1HD   LYS  10          2HD       LYS  10  -5.981  -7.645  -7.645
   39   2HD   LYS  10          1HD       LYS  10  -4.561  -6.927  -6.927
   40   1HE   LYS  10          2HE       LYS  10  -5.459  -7.402  -7.402
   41   2HE   LYS  10          1HE       LYS  10  -6.796  -6.295  -6.295
   42   1HZ   LYS  10          2HZ       LYS  10  -7.602  -8.246  -8.246
   43   2HZ   LYS  10          1HZ       LYS  10  -6.612  -9.198  -9.198
   44   3HZ   LYS  10          3HZ       LYS  10  -7.887  -8.305  -8.305
   45    HA   PRO  11           HA       PRO  11  -3.332  -0.384  -0.384
   46   1HB   PRO  11          2HB       PRO  11  -2.718  -1.450  -1.450
   47   2HB   PRO  11          1HB       PRO  11  -4.280  -0.686  -0.686
   48   1HG   PRO  11          2HG       PRO  11  -3.561  -3.577  -3.577
   49   2HG   PRO  11          1HG       PRO  11  -5.024  -2.761  -2.761
   50   1HD   PRO  11          2HD       PRO  11  -4.935  -4.132  -4.132
   51   2HD   PRO  11          1HD       PRO  11  -5.984  -2.719  -2.719
   52    H    GLU  12           H        GLU  12  -2.348  -3.784  -3.784
   53    HA   GLU  12           HA       GLU  12   0.492  -3.205  -3.205
   54   1HB   GLU  12          2HB       GLU  12   0.689  -5.612  -5.612
   55   2HB   GLU  12          1HB       GLU  12  -0.764  -5.276  -5.276
   56   1HG   GLU  12          2HG       GLU  12  -2.104  -5.463  -5.463
   57   2HG   GLU  12          1HG       GLU  12  -0.634  -5.972  -5.972
   58    H    ASP  13           H        ASP  13  -1.736  -3.678  -3.678
   59    HA   ASP  13           HA       ASP  13   0.410  -3.943  -3.943
   60   1HB   ASP  13          2HB       ASP  13  -2.526  -4.116  -4.116
   61   2HB   ASP  13          1HB       ASP  13  -1.958  -3.382  -3.382
   62    H    LYS  14           H        LYS  14  -1.834  -1.496  -1.496
   63    HA   LYS  14           HA       LYS  14  -1.138   0.562   0.562
   64   1HB   LYS  14          2HB       LYS  14  -3.210   0.663   0.663
   65   2HB   LYS  14          1HB       LYS  14  -2.377   0.506   0.506
   66   1HG   LYS  14          2HG       LYS  14  -2.893   2.819   2.819
   67   2HG   LYS  14          1HG       LYS  14  -1.183   2.697   2.697
   68   1HD   LYS  14          2HD       LYS  14  -1.545   3.360   3.360
   69   2HD   LYS  14          1HD       LYS  14  -2.965   2.327   2.327
   70   1HE   LYS  14          2HE       LYS  14  -3.679   4.660   4.660
   71   2HE   LYS  14          1HE       LYS  14  -4.255   4.018   4.018
   72   1HZ   LYS  14          1HZ       LYS  14  -1.563   5.174   5.174
   73   2HZ   LYS  14          3HZ       LYS  14  -2.884   6.237   6.237
   74   3HZ   LYS  14          2HZ       LYS  14  -2.657   5.129   5.129
   75    H    ALA  15           H        ALA  15   0.346  -0.737  -0.737
   76    HA   ALA  15           HA       ALA  15   1.948   1.572   1.572
   77   1HB   ALA  15          2HB       ALA  15   1.586  -1.257  -1.257
   78   2HB   ALA  15          1HB       ALA  15   3.260  -0.721  -0.721
   79   3HB   ALA  15          3HB       ALA  15   1.990   0.114   0.114
   80    H    LYS  16           H        LYS  16   2.498  -1.374  -1.374
   81    HA   LYS  16           HA       LYS  16   5.204  -0.603  -0.603
   82   1HB   LYS  16          2HB       LYS  16   5.218  -2.717  -2.717
   83   2HB   LYS  16          1HB       LYS  16   3.785  -2.909  -2.909
   84   1HG   LYS  16          2HG       LYS  16   2.334  -2.401  -2.401
   85   2HG   LYS  16          1HG       LYS  16   3.720  -1.998  -1.998
   86   1HD   LYS  16          2HD       LYS  16   3.275  -4.197  -4.197
   87   2HD   LYS  16          1HD       LYS  16   4.508  -4.434  -4.434
   88   1HE   LYS  16          2HE       LYS  16   2.859  -5.024  -5.024
   89   2HE   LYS  16          1HE       LYS  16   1.531  -4.526  -4.526
   90   1HZ   LYS  16          2HZ       LYS  16   3.277  -6.324  -6.324
   91   2HZ   LYS  16          1HZ       LYS  16   2.715  -7.023  -7.023
   92   3HZ   LYS  16          3HZ       LYS  16   1.608  -6.468  -6.468
   93    H    TYR  17           H        TYR  17   1.976   0.010   0.010
   94    HA   TYR  17           HA       TYR  17   2.652   0.906   0.906
   95   1HB   TYR  17          2HB       TYR  17   0.297   1.409   1.409
   96   2HB   TYR  17          1HB       TYR  17   0.324   1.827   1.827
   97    HD1  TYR  17           HD1      TYR  17   2.245  -1.067  -1.067
   98    HD2  TYR  17           HD2      TYR  17  -1.841   0.238   0.238
   99    HE1  TYR  17           HE1      TYR  17   1.492  -3.358  -3.358
  100    HE2  TYR  17           HE2      TYR  17  -2.598  -2.052  -2.052
  101    HH   TYR  17           HH       TYR  17  -0.331  -4.548  -4.548
  102    H    ASP  18           H        ASP  18   2.269   2.342   2.342
  103    HA   ASP  18           HA       ASP  18   2.561   5.107   5.107
  104   1HB   ASP  18          2HB       ASP  18   1.346   4.316   4.316
  105   2HB   ASP  18          1HB       ASP  18   2.894   3.826   3.826
  106    H    ALA  19           H        ALA  19   4.731   2.526   2.526
  107    HA   ALA  19           HA       ALA  19   7.040   4.277   4.277
  108   1HB   ALA  19          1HB       ALA  19   6.287   1.493   1.493
  109   2HB   ALA  19          3HB       ALA  19   7.808   1.617   1.617
  110   3HB   ALA  19          2HB       ALA  19   7.663   2.322   2.322
  111    H    ILE  20           H        ILE  20   5.603   2.374   2.374
  112    HA   ILE  20           HA       ILE  20   7.735   2.822   2.822
  113    HB   ILE  20           HB       ILE  20   4.905   1.743   1.743
  114   1HG1  ILE  20          2HG1      ILE  20   7.439   0.311   0.311
  115   2HG1  ILE  20          1HG1      ILE  20   6.982   0.482   0.482
  116   1HG2  ILE  20          3HG2      ILE  20   5.503   2.929   2.929
  117   2HG2  ILE  20          2HG2      ILE  20   6.737   1.690   1.690
  118   3HG2  ILE  20          1HG2      ILE  20   5.036   1.237   1.237
  119   1HD1  ILE  20          3HD1      ILE  20   4.773  -0.543  -0.543
  120   2HD1  ILE  20          2HD1      ILE  20   5.301  -0.781  -0.781
  121   3HD1  ILE  20          1HD1      ILE  20   6.113  -1.634  -1.634
  122    H    PHE  21           H        PHE  21   4.714   4.277   4.277
  123    HA   PHE  21           HA       PHE  21   4.434   6.107   6.107
  124   1HB   PHE  21          2HB       PHE  21   2.412   5.764   5.764
  125   2HB   PHE  21          1HB       PHE  21   3.175   5.509   5.509
  126    HD1  PHE  21           HD2      PHE  21   4.082   7.524   7.524
  127    HD2  PHE  21           HD1      PHE  21   1.497   7.878   7.878
  128    HE1  PHE  21           HE2      PHE  21   3.537   9.851   9.851
  129    HE2  PHE  21           HE1      PHE  21   0.952  10.208  10.208
  130    HZ   PHE  21           HZ       PHE  21   1.976  11.192  11.192
  131    H    ASP  22           H        ASP  22   5.775   6.229   6.229
  132    HA   ASP  22           HA       ASP  22   6.628   9.031   9.031
  133   1HB   ASP  22          2HB       ASP  22   5.720   8.165   8.165
  134   2HB   ASP  22          1HB       ASP  22   7.005   6.957   6.957
  135    H    SER  23           H        SER  23   7.761   6.208   6.208
  136    HA   SER  23           HA       SER  23  10.633   6.622   6.622
  137   1HB   SER  23          2HB       SER  23   8.853   4.519   4.519
  138   2HB   SER  23          1HB       SER  23  10.312   4.651   4.651
  139    HG   SER  23           HG       SER  23  10.358   3.285   3.285
  140    H    LEU  24           H        LEU  24   8.255   7.528   7.528
  141    HA   LEU  24           HA       LEU  24  10.196   8.146   8.146
  142   1HB   LEU  24          2HB       LEU  24   7.331   8.891   8.891
  143   2HB   LEU  24          1HB       LEU  24   8.343   8.066   8.066
  144    HG   LEU  24           HG       LEU  24   7.038   6.848   6.848
  145   1HD1  LEU  24          3HD1      LEU  24   5.573   7.277   7.277
  146   2HD1  LEU  24          2HD1      LEU  24   6.663   6.293   6.293
  147   3HD1  LEU  24          1HD1      LEU  24   5.762   5.559   5.559
  148   1HD2  LEU  24          1HD2      LEU  24   9.218   5.933   5.933
  149   2HD2  LEU  24          3HD2      LEU  24   8.919   5.528   5.528
  150   3HD2  LEU  24          2HD2      LEU  24   7.983   4.744   4.744
  151    H    SER  25           H        SER  25   8.806   9.517   9.517
  152    HA   SER  25           HA       SER  25   9.138  11.713  11.713
  153   1HB   SER  25          2HB       SER  25   9.668  12.705  12.705
  154   2HB   SER  25          1HB       SER  25  10.316  13.303  13.303
  155    HG   SER  25           HG       SER  25  11.647  11.547  11.547
  156    HA   PRO  26           HA       PRO  26   4.870  12.288  12.288
  157   1HB   PRO  26          2HB       PRO  26   3.927  12.981  12.981
  158   2HB   PRO  26          1HB       PRO  26   4.166  11.294  11.294
  159   1HG   PRO  26          2HG       PRO  26   5.858  13.016  13.016
  160   2HG   PRO  26          1HG       PRO  26   5.508  11.286  11.286
  161   1HD   PRO  26          2HD       PRO  26   7.841  12.316  12.316
  162   2HD   PRO  26          1HD       PRO  26   7.198  10.715  10.715
  163    H    VAL  27           H        VAL  27   3.778  14.187  14.187
  164    HA   VAL  27           HA       VAL  27   5.113  16.735  16.735
  165    HB   VAL  27           HB       VAL  27   3.497  16.121  16.121
  166   1HG1  VAL  27          1HG1      VAL  27   5.308  18.438  18.438
  167   2HG1  VAL  27          3HG1      VAL  27   4.491  18.238  18.238
  168   3HG1  VAL  27          2HG1      VAL  27   3.547  18.495  18.495
  169   1HG2  VAL  27          1HG2      VAL  27   6.145  15.323  15.323
  170   2HG2  VAL  27          3HG2      VAL  27   5.348  15.185  15.185
  171   3HG2  VAL  27          2HG2      VAL  27   6.284  16.627  16.627
  172    H    ASN  28           H        ASN  28   3.770  17.226  17.226
  173    HA   ASN  28           HA       ASN  28   1.826  18.095  18.095
  174   1HB   ASN  28          2HB       ASN  28   1.872  19.264  19.264
  175   2HB   ASN  28          1HB       ASN  28   0.627  18.104  18.104
  176   1HD2  ASN  28          1HD2      ASN  28  -1.102  17.920  17.920
  177   2HD2  ASN  28          2HD2      ASN  28  -1.699  19.431  19.431
  178    H    GLY  29           H        GLY  29   2.255  15.151  15.151
  179   1HA   GLY  29          2HA       GLY  29   0.987  13.266  13.266
  180   2HA   GLY  29          1HA       GLY  29  -0.470  14.260  14.260
  181    H    PHE  30           H        PHE  30   1.817  14.088  14.088
  182    HA   PHE  30           HA       PHE  30   0.028  12.287  12.287
  183   1HB   PHE  30          2HB       PHE  30   0.649  15.176  15.176
  184   2HB   PHE  30          1HB       PHE  30  -0.074  14.043  14.043
  185    HD1  PHE  30           HD2      PHE  30  -2.250  12.955  12.955
  186    HD2  PHE  30           HD1      PHE  30  -0.634  16.149  16.149
  187    HE1  PHE  30           HE2      PHE  30  -4.489  13.342  13.342
  188    HE2  PHE  30           HE1      PHE  30  -2.856  16.538  16.538
  189    HZ   PHE  30           HZ       PHE  30  -4.792  15.136  15.136
  190    H    LEU  31           H        LEU  31   1.023  11.428  11.428
  191    HA   LEU  31           HA       LEU  31   3.953  12.020  12.020
  192   1HB   LEU  31          2HB       LEU  31   2.418   9.410   9.410
  193   2HB   LEU  31          1HB       LEU  31   4.024   9.529   9.529
  194    HG   LEU  31           HG       LEU  31   3.502  10.526  10.526
  195   1HD1  LEU  31          3HD1      LEU  31   2.901   7.998   7.998
  196   2HD1  LEU  31          2HD1      LEU  31   4.653   7.806   7.806
  197   3HD1  LEU  31          1HD1      LEU  31   3.836   8.416   8.416
  198   1HD2  LEU  31          3HD2      LEU  31   5.844   9.931   9.931
  199   2HD2  LEU  31          2HD2      LEU  31   5.616  11.241  11.241
  200   3HD2  LEU  31          1HD2      LEU  31   6.027   9.620   9.620
  201    H    SER  32           H        SER  32   4.486  12.539  12.539
  202    HA   SER  32           HA       SER  32   2.387  12.728  12.728
  203   1HB   SER  32          2HB       SER  32   4.200  13.748  13.748
  204   2HB   SER  32          1HB       SER  32   4.199  14.391  14.391
  205    HG   SER  32           HG       SER  32   6.150  13.653  13.653
  206    H    GLY  33           H        GLY  33   2.046  11.362  11.362
  207   1HA   GLY  33          2HA       GLY  33   2.760   8.693   8.693
  208   2HA   GLY  33          1HA       GLY  33   2.444   9.596   9.596
  209    H    ASP  34           H        ASP  34   4.720  11.427  11.427
  210    HA   ASP  34           HA       ASP  34   6.761  10.055  10.055
  211   1HB   ASP  34          2HB       ASP  34   6.544  12.567  12.567
  212   2HB   ASP  34          1HB       ASP  34   8.104  12.084  12.084
  213    H    LYS  35           H        LYS  35   5.952   9.978   9.978
  214    HA   LYS  35           HA       LYS  35   8.642   8.875   8.875
  215   1HB   LYS  35          2HB       LYS  35   6.366   9.813   9.813
  216   2HB   LYS  35          1HB       LYS  35   8.041   9.528   9.528
  217   1HG   LYS  35          2HG       LYS  35   8.824  11.358  11.358
  218   2HG   LYS  35          1HG       LYS  35   7.248  11.546  11.546
  219   1HD   LYS  35          2HD       LYS  35   7.539  13.260  13.260
  220   2HD   LYS  35          1HD       LYS  35   6.266  12.133  12.133
  221   1HE   LYS  35          2HE       LYS  35   7.550  12.293  12.293
  222   2HE   LYS  35          1HE       LYS  35   8.227  10.847  10.847
  223   1HZ   LYS  35          1HZ       LYS  35   9.250  13.579  13.579
  224   2HZ   LYS  35          3HZ       LYS  35   9.902  12.578  12.578
  225   3HZ   LYS  35          2HZ       LYS  35   9.970  12.100  12.100
  226    H    VAL  36           H        VAL  36   5.180   8.297   8.297
  227    HA   VAL  36           HA       VAL  36   5.418   5.654   5.654
  228    HB   VAL  36           HB       VAL  36   3.180   7.134   7.134
  229   1HG1  VAL  36          2HG1      VAL  36   3.019   4.583   4.583
  230   2HG1  VAL  36          1HG1      VAL  36   2.914   4.798   4.798
  231   3HG1  VAL  36          3HG1      VAL  36   1.681   5.496   5.496
  232   1HG2  VAL  36          3HG2      VAL  36   4.317   7.178   7.178
  233   2HG2  VAL  36          2HG2      VAL  36   3.393   8.413   8.413
  234   3HG2  VAL  36          1HG2      VAL  36   2.558   7.068   7.068
  235    H    LYS  37           H        LYS  37   5.141   7.048   7.048
  236    HA   LYS  37           HA       LYS  37   4.372   4.840   4.840
  237   1HB   LYS  37          2HB       LYS  37   4.698   7.027   7.027
  238   2HB   LYS  37          1HB       LYS  37   6.395   7.047   7.047
  239   1HG   LYS  37          2HG       LYS  37   7.016   5.513   5.513
  240   2HG   LYS  37          1HG       LYS  37   5.383   4.860   4.860
  241   1HD   LYS  37          2HD       LYS  37   5.689   7.740   7.740
  242   2HD   LYS  37          1HD       LYS  37   6.432   6.609   6.609
  243   1HE   LYS  37          2HE       LYS  37   4.410   5.858   5.858
  244   2HE   LYS  37          1HE       LYS  37   3.705   5.852   5.852
  245   1HZ   LYS  37          3HZ       LYS  37   4.025   8.426   8.426
  246   2HZ   LYS  37          2HZ       LYS  37   3.930   8.061   8.061
  247   3HZ   LYS  37          1HZ       LYS  37   2.646   7.659   7.659
  248    HA   PRO  38           HA       PRO  38   8.980   3.404   3.404
  249   1HB   PRO  38          2HB       PRO  38  10.569   4.351   4.351
  250   2HB   PRO  38          1HB       PRO  38  10.476   5.122   5.122
  251   1HG   PRO  38          2HG       PRO  38   9.076   5.847   5.847
  252   2HG   PRO  38          1HG       PRO  38   9.860   6.901   6.901
  253   1HD   PRO  38          2HD       PRO  38   7.207   6.606   6.606
  254   2HD   PRO  38          1HD       PRO  38   8.082   6.788   6.788
  255    H    VAL  39           H        VAL  39   7.405   4.179   4.179
  256    HA   VAL  39           HA       VAL  39   8.300   1.810   1.810
  257    HB   VAL  39           HB       VAL  39   6.261   4.006   4.006
  258   1HG1  VAL  39          3HG1      VAL  39   6.298   1.372   1.372
  259   2HG1  VAL  39          2HG1      VAL  39   6.072   2.788   2.788
  260   3HG1  VAL  39          1HG1      VAL  39   4.952   2.471   2.471
  261   1HG2  VAL  39          2HG2      VAL  39   8.935   3.708   3.708
  262   2HG2  VAL  39          1HG2      VAL  39   7.829   4.908   4.908
  263   3HG2  VAL  39          3HG2      VAL  39   8.091   3.380   3.380
  264    H    LEU  40           H        LEU  40   6.038   2.348   2.348
  265    HA   LEU  40           HA       LEU  40   4.372   0.000   0.000
  266   1HB   LEU  40          2HB       LEU  40   4.156   2.168   2.168
  267   2HB   LEU  40          1HB       LEU  40   3.020   0.825   0.825
  268    HG   LEU  40           HG       LEU  40   3.613   2.813   2.813
  269   1HD1  LEU  40          3HD1      LEU  40   2.327   3.675   3.675
  270   2HD1  LEU  40          2HD1      LEU  40   1.074   2.501   2.501
  271   3HD1  LEU  40          1HD1      LEU  40   1.477   3.789   3.789
  272   1HD2  LEU  40          2HD2      LEU  40   2.316   0.215   0.215
  273   2HD2  LEU  40          1HD2      LEU  40   2.695   1.238   1.238
  274   3HD2  LEU  40          3HD2      LEU  40   1.187   1.474   1.474
  275    H    LEU  41           H        LEU  41   7.013   0.956   0.956
  276    HA   LEU  41           HA       LEU  41   6.663  -1.184  -1.184
  277   1HB   LEU  41          2HB       LEU  41   8.879   0.812   0.812
  278   2HB   LEU  41          1HB       LEU  41   8.777  -0.215  -0.215
  279    HG   LEU  41           HG       LEU  41   6.409   1.475   1.475
  280   1HD1  LEU  41          2HD1      LEU  41   9.089   2.503   2.503
  281   2HD1  LEU  41          1HD1      LEU  41   7.988   3.024   3.024
  282   3HD1  LEU  41          3HD1      LEU  41   7.615   3.378   3.378
  283   1HD2  LEU  41          3HD2      LEU  41   7.101  -0.230  -0.230
  284   2HD2  LEU  41          2HD2      LEU  41   5.879   1.036   1.036
  285   3HD2  LEU  41          1HD2      LEU  41   7.525   1.340   1.340
  286    H    ASN  42           H        ASN  42   8.896  -0.350  -0.350
  287    HA   ASN  42           HA       ASN  42  10.673  -2.498  -2.498
  288   1HB   ASN  42          2HB       ASN  42  11.054  -2.104  -2.104
  289   2HB   ASN  42          1HB       ASN  42  10.502  -0.557  -0.557
  290   1HD2  ASN  42          1HD2      ASN  42   7.818  -0.649  -0.649
  291   2HD2  ASN  42          2HD2      ASN  42   7.149  -1.059  -1.059
  292    H    SER  43           H        SER  43   7.286  -2.492  -2.492
  293    HA   SER  43           HA       SER  43   7.044  -5.005  -5.005
  294   1HB   SER  43          2HB       SER  43   5.099  -3.689  -3.689
  295   2HB   SER  43          1HB       SER  43   4.709  -4.748  -4.748
  296    HG   SER  43           HG       SER  43   5.769  -3.106  -3.106
  297    H    LYS  44           H        LYS  44   7.933  -4.282  -4.282
  298    HA   LYS  44           HA       LYS  44   8.513  -5.770  -5.770
  299   1HB   LYS  44          2HB       LYS  44   8.820  -7.270  -7.270
  300   2HB   LYS  44          1HB       LYS  44   7.340  -8.038  -8.038
  301   1HG   LYS  44          2HG       LYS  44   8.829  -9.315  -9.315
  302   2HG   LYS  44          1HG       LYS  44   8.715  -7.964  -7.964
  303   1HD   LYS  44          2HD       LYS  44  10.634  -6.947  -6.947
  304   2HD   LYS  44          1HD       LYS  44  10.908  -8.636  -8.636
  305   1HE   LYS  44          2HE       LYS  44  12.280  -8.407  -8.407
  306   2HE   LYS  44          1HE       LYS  44  10.774  -8.987  -8.987
  307   1HZ   LYS  44          1HZ       LYS  44  10.255  -6.392  -6.392
  308   2HZ   LYS  44          3HZ       LYS  44  11.937  -6.316  -6.316
  309   3HZ   LYS  44          2HZ       LYS  44  10.977  -7.091  -7.091
  310    H    LEU  45           H        LEU  45   5.696  -4.650  -4.650
  311    HA   LEU  45           HA       LEU  45   3.987  -6.520  -6.520
  312   1HB   LEU  45          2HB       LEU  45   3.626  -4.289  -4.289
  313   2HB   LEU  45          1HB       LEU  45   2.306  -4.646  -4.646
  314    HG   LEU  45           HG       LEU  45   3.667  -6.746  -6.746
  315   1HD1  LEU  45          3HD1      LEU  45   1.132  -5.157  -5.157
  316   2HD1  LEU  45          2HD1      LEU  45   1.552  -6.629  -6.629
  317   3HD1  LEU  45          1HD1      LEU  45   2.572  -5.198  -5.198
  318   1HD2  LEU  45          1HD2      LEU  45   2.274  -7.160  -7.160
  319   2HD2  LEU  45          3HD2      LEU  45   2.092  -8.225  -8.225
  320   3HD2  LEU  45          2HD2      LEU  45   0.907  -6.955  -6.955
  321    HA   PRO  46           HA       PRO  46   4.123  -3.937  -3.937
  322   1HB   PRO  46          2HB       PRO  46   1.612  -4.315  -4.315
  323   2HB   PRO  46          1HB       PRO  46   2.894  -5.539  -5.539
  324   1HG   PRO  46          2HG       PRO  46   0.555  -5.367  -5.367
  325   2HG   PRO  46          1HG       PRO  46   1.347  -6.786  -6.786
  326   1HD   PRO  46          2HD       PRO  46   1.692  -5.927  -5.927
  327   2HD   PRO  46          1HD       PRO  46   2.848  -6.940  -6.940
  328    H    VAL  47           H        VAL  47   3.320  -1.920  -1.920
  329    HA   VAL  47           HA       VAL  47   2.556   0.034   0.034
  330    HB   VAL  47           HB       VAL  47   2.712  -0.238  -0.238
  331   1HG1  VAL  47          1HG1      VAL  47   1.428   2.062   2.062
  332   2HG1  VAL  47          3HG1      VAL  47   2.166   2.266   2.266
  333   3HG1  VAL  47          2HG1      VAL  47   0.797   1.173   1.173
  334   1HG2  VAL  47          3HG2      VAL  47   4.471   0.463   0.463
  335   2HG2  VAL  47          2HG2      VAL  47   4.680   0.851   0.851
  336   3HG2  VAL  47          1HG2      VAL  47   3.958   2.033   2.033
  337    H    ASP  48           H        ASP  48   0.561  -2.342  -2.342
  338    HA   ASP  48           HA       ASP  48  -1.897  -0.797  -0.797
  339   1HB   ASP  48          2HB       ASP  48  -0.919  -3.470  -3.470
  340   2HB   ASP  48          1HB       ASP  48  -2.466  -3.515  -3.515
  341    H    ILE  49           H        ILE  49  -0.358  -3.032  -3.032
  342    HA   ILE  49           HA       ILE  49  -2.461  -3.039  -3.039
  343    HB   ILE  49           HB       ILE  49   0.504  -3.228  -3.228
  344   1HG1  ILE  49          2HG1      ILE  49   0.220  -4.638  -4.638
  345   2HG1  ILE  49          1HG1      ILE  49   0.226  -5.697  -5.697
  346   1HG2  ILE  49          2HG2      ILE  49  -2.040  -4.202  -4.202
  347   2HG2  ILE  49          1HG2      ILE  49  -0.557  -5.129  -5.129
  348   3HG2  ILE  49          3HG2      ILE  49  -0.637  -3.445  -3.445
  349   1HD1  ILE  49          3HD1      ILE  49  -2.413  -5.183  -5.183
  350   2HD1  ILE  49          2HD1      ILE  49  -2.006  -5.014  -5.014
  351   3HD1  ILE  49          1HD1      ILE  49  -1.659  -6.524  -6.524
  352    H    LEU  50           H        LEU  50   0.470  -1.144  -1.144
  353    HA   LEU  50           HA       LEU  50   0.150   0.577   0.577
  354   1HB   LEU  50          2HB       LEU  50   1.538   1.218   1.218
  355   2HB   LEU  50          1HB       LEU  50   1.997   1.727   1.727
  356    HG   LEU  50           HG       LEU  50   2.326  -0.963  -0.963
  357   1HD1  LEU  50          1HD1      LEU  50   4.065   0.861   0.861
  358   2HD1  LEU  50          3HD1      LEU  50   4.563  -0.736  -0.736
  359   3HD1  LEU  50          2HD1      LEU  50   4.222   0.541   0.541
  360   1HD2  LEU  50          1HD2      LEU  50   1.742  -0.398  -0.398
  361   2HD2  LEU  50          3HD2      LEU  50   1.384  -1.836  -1.836
  362   3HD2  LEU  50          2HD2      LEU  50   3.017  -1.563  -1.563
  363    H    GLY  51           H        GLY  51  -1.415   0.439   0.439
  364   1HA   GLY  51          2HA       GLY  51  -2.196   3.286   3.286
  365   2HA   GLY  51          1HA       GLY  51  -2.694   2.089   2.089
  366    H    ARG  52           H        ARG  52  -3.493   0.119   0.119
  367    HA   ARG  52           HA       ARG  52  -6.154   1.236   1.236
  368   1HB   ARG  52          2HB       ARG  52  -4.944  -1.318  -1.318
  369   2HB   ARG  52          1HB       ARG  52  -5.947  -1.446  -1.446
  370   1HG   ARG  52          2HG       ARG  52  -7.785  -0.283  -0.283
  371   2HG   ARG  52          1HG       ARG  52  -6.791  -0.360  -0.360
  372   1HD   ARG  52          2HD       ARG  52  -6.979  -2.957  -2.957
  373   2HD   ARG  52          1HD       ARG  52  -8.561  -2.331  -2.331
  374    HE   ARG  52           HE       ARG  52  -7.846  -2.863  -2.863
  375   1HH1  ARG  52          1HH2      ARG  52  -5.246  -4.074  -4.074
  376   2HH1  ARG  52          2HH2      ARG  52  -4.085  -3.093  -3.093
  377   1HH2  ARG  52          2HH1      ARG  52  -6.348  -0.562  -0.562
  378   2HH2  ARG  52          1HH1      ARG  52  -4.710  -1.101  -1.101
  379    H    VAL  53           H        VAL  53  -3.602  -0.646  -0.646
  380    HA   VAL  53           HA       VAL  53  -4.567  -0.565  -0.565
  381    HB   VAL  53           HB       VAL  53  -1.796  -0.341  -0.341
  382   1HG1  VAL  53          3HG1      VAL  53  -2.567   0.251   0.251
  383   2HG1  VAL  53          2HG1      VAL  53  -1.723  -1.296  -1.296
  384   3HG1  VAL  53          1HG1      VAL  53  -0.938   0.136   0.136
  385   1HG2  VAL  53          1HG2      VAL  53  -3.142  -2.430  -2.430
  386   2HG2  VAL  53          3HG2      VAL  53  -1.672  -2.692  -2.692
  387   3HG2  VAL  53          2HG2      VAL  53  -3.234  -2.586  -2.586
  388    H    TRP  54           H        TRP  54  -3.074   2.028   2.028
  389    HA   TRP  54           HA       TRP  54  -2.782   3.867   3.867
  390   1HB   TRP  54          2HB       TRP  54  -1.415   4.145   4.145
  391   2HB   TRP  54          1HB       TRP  54  -2.831   4.161   4.161
  392    HD1  TRP  54           HD1      TRP  54  -4.577   6.266   6.266
  393    HE1  TRP  54           HE1      TRP  54  -4.044   8.721   8.721
  394    HE3  TRP  54           HE3      TRP  54   0.146   5.706   5.706
  395    HZ2  TRP  54           HZ2      TRP  54  -1.894  10.236  10.236
  396    HZ3  TRP  54           HZ3      TRP  54   1.414   7.665   7.665
  397    HH2  TRP  54           HH2      TRP  54   0.399   9.927   9.927
  398    H    GLU  55           H        GLU  55  -4.996   3.907   3.907
  399    HA   GLU  55           HA       GLU  55  -6.703   5.952   5.952
  400   1HB   GLU  55          2HB       GLU  55  -8.019   5.163   5.163
  401   2HB   GLU  55          1HB       GLU  55  -6.564   4.228   4.228
  402   1HG   GLU  55          2HG       GLU  55  -7.453   2.320   2.320
  403   2HG   GLU  55          1HG       GLU  55  -8.851   3.250   3.250
  404    H    LEU  56           H        LEU  56  -6.899   2.525   2.525
  405    HA   LEU  56           HA       LEU  56  -9.171   2.899   2.899
  406   1HB   LEU  56          2HB       LEU  56  -7.125   0.661   0.661
  407   2HB   LEU  56          1HB       LEU  56  -8.702   0.537   0.537
  408    HG   LEU  56           HG       LEU  56  -8.773   1.550   1.550
  409   1HD1  LEU  56          3HD1      LEU  56  -7.038  -0.547  -0.547
  410   2HD1  LEU  56          2HD1      LEU  56  -8.550  -1.380  -1.380
  411   3HD1  LEU  56          1HD1      LEU  56  -7.877  -0.231  -0.231
  412   1HD2  LEU  56          3HD2      LEU  56 -10.489   0.324   0.324
  413   2HD2  LEU  56          2HD2      LEU  56 -10.904   0.847   0.847
  414   3HD2  LEU  56          1HD2      LEU  56 -10.349  -0.803  -0.803
  415    H    SER  57           H        SER  57  -5.833   3.522   3.522
  416    HA   SER  57           HA       SER  57  -5.676   3.236   3.236
  417   1HB   SER  57          2HB       SER  57  -3.785   2.366   2.366
  418   2HB   SER  57          1HB       SER  57  -3.799   3.608   3.608
  419    HG   SER  57           HG       SER  57  -3.473   4.405   4.405
  420    H    ASP  58           H        ASP  58  -5.510   5.668   5.668
  421    HA   ASP  58           HA       ASP  58  -4.939   7.863   7.863
  422   1HB   ASP  58          2HB       ASP  58  -4.260   7.516   7.516
  423   2HB   ASP  58          1HB       ASP  58  -5.895   8.073   8.073
  424    H    ILE  59           H        ILE  59  -6.815   7.666   7.666
  425    HA   ILE  59           HA       ILE  59  -9.507   7.566   7.566
  426    HB   ILE  59           HB       ILE  59  -8.173   9.173   9.173
  427   1HG1  ILE  59          2HG1      ILE  59  -7.584   6.719   6.719
  428   2HG1  ILE  59          1HG1      ILE  59  -8.424   7.182   7.182
  429   1HG2  ILE  59          2HG2      ILE  59 -10.930   8.854   8.854
  430   2HG2  ILE  59          1HG2      ILE  59 -10.670   8.109   8.109
  431   3HG2  ILE  59          3HG2      ILE  59 -10.258   9.806   9.806
  432   1HD1  ILE  59          2HD1      ILE  59  -9.936   6.157   6.157
  433   2HD1  ILE  59          1HD1      ILE  59  -9.235   5.051   5.051
  434   3HD1  ILE  59          3HD1      ILE  59 -10.459   6.219   6.219
  435    H    ASP  60           H        ASP  60  -7.306  10.332  10.332
  436    HA   ASP  60           HA       ASP  60  -9.438  12.208  12.208
  437   1HB   ASP  60          2HB       ASP  60  -6.459  12.681  12.681
  438   2HB   ASP  60          1HB       ASP  60  -7.758  13.862  13.862
  439    H    HIS  61           H        HIS  61  -7.033  10.210  10.210
  440    HA   HIS  61           HA       HIS  61  -6.118  10.162  10.162
  441   1HB   HIS  61          2HB       HIS  61  -7.921  10.057  10.057
  442   2HB   HIS  61          1HB       HIS  61  -8.509   9.362   9.362
  443    HD1  HIS  61           HD1      HIS  61  -8.722  12.530  12.530
  444    HD2  HIS  61           HD2      HIS  61 -10.657  10.731  10.731
  445    HE1  HIS  61           HE1      HIS  61 -10.779  13.927  13.927
  446    H    ASP  62           H        ASP  62  -5.683  12.632  12.632
  447    HA   ASP  62           HA       ASP  62  -6.218  14.747  14.747
  448   1HB   ASP  62          2HB       ASP  62  -5.861  16.210  16.210
  449   2HB   ASP  62          1HB       ASP  62  -6.562  14.792  14.792
  450    H    GLY  63           H        GLY  63  -3.779  12.522  12.522
  451   1HA   GLY  63          2HA       GLY  63  -1.888  12.581  12.581
  452   2HA   GLY  63          1HA       GLY  63  -1.684  14.264  14.264
  453    H    MET  64           H        MET  64  -2.576  12.505  12.505
  454    HA   MET  64           HA       MET  64   0.179  11.628  11.628
  455   1HB   MET  64          2HB       MET  64  -1.193  13.435  13.435
  456   2HB   MET  64          1HB       MET  64   0.530  13.176  13.176
  457   1HG   MET  64          2HG       MET  64   0.166  14.324  14.324
  458   2HG   MET  64          1HG       MET  64  -1.375  14.863  14.863
  459   1HE   MET  64          2HE       MET  64   2.183  14.410  14.410
  460   2HE   MET  64          1HE       MET  64   2.859  15.930  15.930
  461   3HE   MET  64          3HE       MET  64   2.359  14.684  14.684
  462    H    LEU  65           H        LEU  65   0.231  10.387  10.387
  463    HA   LEU  65           HA       LEU  65  -2.430   9.157   9.157
  464   1HB   LEU  65          2HB       LEU  65   0.433   8.172   8.172
  465   2HB   LEU  65          1HB       LEU  65  -0.831   7.262   7.262
  466    HG   LEU  65           HG       LEU  65  -0.860   8.078   8.078
  467   1HD1  LEU  65          2HD1      LEU  65   0.618   6.085   6.085
  468   2HD1  LEU  65          1HD1      LEU  65  -0.920   5.238   5.238
  469   3HD1  LEU  65          3HD1      LEU  65  -0.143   5.956   5.956
  470   1HD2  LEU  65          3HD2      LEU  65  -2.870   6.848   6.848
  471   2HD2  LEU  65          2HD2      LEU  65  -3.117   7.984   7.984
  472   3HD2  LEU  65          1HD2      LEU  65  -2.816   6.280   6.280
  473    H    ASP  66           H        ASP  66  -3.142  10.044  10.044
  474    HA   ASP  66           HA       ASP  66  -1.367  11.216  11.216
  475   1HB   ASP  66          2HB       ASP  66  -3.891  11.575  11.575
  476   2HB   ASP  66          1HB       ASP  66  -4.140  10.185  10.185
  477    H    ARG  67           H        ARG  67  -1.274  10.401  10.401
  478    HA   ARG  67           HA       ARG  67   0.029   8.004   8.004
  479   1HB   ARG  67          2HB       ARG  67  -0.858   8.152   8.152
  480   2HB   ARG  67          1HB       ARG  67  -0.248   9.685   9.685
  481   1HG   ARG  67          2HG       ARG  67  -2.771   9.950   9.950
  482   2HG   ARG  67          1HG       ARG  67  -3.061   8.840   8.840
  483   1HD   ARG  67          2HD       ARG  67  -1.206  10.860  10.860
  484   2HD   ARG  67          1HD       ARG  67  -2.637  11.642  11.642
  485    HE   ARG  67           HE       ARG  67  -2.613  10.085  10.085
  486   1HH1  ARG  67          1HH2      ARG  67  -4.483  11.817  11.817
  487   2HH1  ARG  67          2HH2      ARG  67  -5.990  11.089  11.089
  488   1HH2  ARG  67          2HH1      ARG  67  -4.536   8.722   8.722
  489   2HH2  ARG  67          1HH1      ARG  67  -6.020   9.335   9.335
  490    H    ASP  68           H        ASP  68  -3.502   8.436   8.436
  491    HA   ASP  68           HA       ASP  68  -4.026   5.607   5.607
  492   1HB   ASP  68          2HB       ASP  68  -6.387   6.422   6.422
  493   2HB   ASP  68          1HB       ASP  68  -5.521   7.324   7.324
  494    H    GLU  69           H        GLU  69  -4.291   7.796   7.796
  495    HA   GLU  69           HA       GLU  69  -5.408   5.951   5.951
  496   1HB   GLU  69          2HB       GLU  69  -3.482   8.247   8.247
  497   2HB   GLU  69          1HB       GLU  69  -4.627   7.595   7.595
  498   1HG   GLU  69          2HG       GLU  69  -6.475   8.173   8.173
  499   2HG   GLU  69          1HG       GLU  69  -5.270   9.031   9.031
  500    H    PHE  70           H        PHE  70  -2.004   6.868   6.868
  501    HA   PHE  70           HA       PHE  70  -0.804   5.124   5.124
  502   1HB   PHE  70          2HB       PHE  70   0.248   7.003   7.003
  503   2HB   PHE  70          1HB       PHE  70   0.212   5.971   5.971
  504    HD1  PHE  70           HD2      PHE  70   1.527   3.858   3.858
  505    HD2  PHE  70           HD1      PHE  70   1.851   6.656   6.656
  506    HE1  PHE  70           HE2      PHE  70   3.630   2.767   2.767
  507    HE2  PHE  70           HE1      PHE  70   3.956   5.568   5.568
  508    HZ   PHE  70           HZ       PHE  70   4.843   3.623   3.623
  509    H    ALA  71           H        ALA  71  -2.191   4.540   4.540
  510    HA   ALA  71           HA       ALA  71  -0.938   2.001   2.001
  511   1HB   ALA  71          1HB       ALA  71  -2.451   3.738   3.738
  512   2HB   ALA  71          3HB       ALA  71  -3.726   2.622   2.622
  513   3HB   ALA  71          2HB       ALA  71  -2.356   2.037   2.037
  514    H    VAL  72           H        VAL  72  -4.041   2.895   2.895
  515    HA   VAL  72           HA       VAL  72  -5.000   0.271   0.271
  516    HB   VAL  72           HB       VAL  72  -5.363   2.881   2.881
  517   1HG1  VAL  72          3HG1      VAL  72  -6.376   0.209   0.209
  518   2HG1  VAL  72          2HG1      VAL  72  -7.700   1.313   1.313
  519   3HG1  VAL  72          1HG1      VAL  72  -6.608   1.668   1.668
  520   1HG2  VAL  72          3HG2      VAL  72  -5.893   2.790   2.790
  521   2HG2  VAL  72          2HG2      VAL  72  -7.208   3.302   3.302
  522   3HG2  VAL  72          1HG2      VAL  72  -7.178   1.657   1.657
  523    H    ALA  73           H        ALA  73  -2.528   2.173   2.173
  524    HA   ALA  73           HA       ALA  73  -2.539   0.516   0.516
  525   1HB   ALA  73          1HB       ALA  73  -1.510   3.064   3.064
  526   2HB   ALA  73          3HB       ALA  73  -0.274   2.157   2.157
  527   3HB   ALA  73          2HB       ALA  73  -1.813   2.536   2.536
  528    H    MET  74           H        MET  74  -1.243   0.205   0.205
  529    HA   MET  74           HA       MET  74   1.285  -1.054  -1.054
  530   1HB   MET  74          2HB       MET  74  -0.008  -0.727  -0.727
  531   2HB   MET  74          1HB       MET  74   1.638  -1.274  -1.274
  532   1HG   MET  74          2HG       MET  74   0.584   1.448   1.448
  533   2HG   MET  74          1HG       MET  74   2.248   0.895   0.895
  534   1HE   MET  74          3HE       MET  74   3.112  -0.416  -0.416
  535   2HE   MET  74          2HE       MET  74   3.000   0.055   0.055
  536   3HE   MET  74          1HE       MET  74   3.973   1.015   1.015
  537    H    PHE  75           H        PHE  75  -1.752  -2.051  -2.051
  538    HA   PHE  75           HA       PHE  75  -0.967  -4.863  -4.863
  539   1HB   PHE  75          2HB       PHE  75  -2.977  -5.195  -5.195
  540   2HB   PHE  75          1HB       PHE  75  -2.630  -3.516  -3.516
  541    HD1  PHE  75           HD1      PHE  75  -4.594  -5.718  -5.718
  542    HD2  PHE  75           HD2      PHE  75  -4.035  -1.752  -1.752
  543    HE1  PHE  75           HE1      PHE  75  -6.741  -5.017  -5.017
  544    HE2  PHE  75           HE2      PHE  75  -6.170  -1.052  -1.052
  545    HZ   PHE  75           HZ       PHE  75  -7.531  -2.682  -2.682
  546    H    LEU  76           H        LEU  76  -2.543  -2.573  -2.573
  547    HA   LEU  76           HA       LEU  76  -3.829  -4.442  -4.442
  548   1HB   LEU  76          2HB       LEU  76  -3.224  -1.567  -1.567
  549   2HB   LEU  76          1HB       LEU  76  -3.265  -2.156  -2.156
  550    HG   LEU  76           HG       LEU  76  -5.446  -2.705  -2.705
  551   1HD1  LEU  76          1HD1      LEU  76  -5.062  -0.240  -0.240
  552   2HD1  LEU  76          3HD1      LEU  76  -5.632  -0.763  -0.763
  553   3HD1  LEU  76          2HD1      LEU  76  -6.686  -0.904  -0.904
  554   1HD2  LEU  76          2HD2      LEU  76  -5.146  -4.279  -4.279
  555   2HD2  LEU  76          1HD2      LEU  76  -6.706  -3.457  -3.457
  556   3HD2  LEU  76          3HD2      LEU  76  -5.442  -2.910  -2.910
  557    H    VAL  77           H        VAL  77  -0.612  -3.130  -3.130
  558    HA   VAL  77           HA       VAL  77   0.315  -4.183  -4.183
  559    HB   VAL  77           HB       VAL  77   1.575  -2.691  -2.691
  560   1HG1  VAL  77          1HG1      VAL  77   2.856  -4.257  -4.257
  561   2HG1  VAL  77          3HG1      VAL  77   3.224  -2.549  -2.549
  562   3HG1  VAL  77          2HG1      VAL  77   3.601  -3.322  -3.322
  563   1HG2  VAL  77          3HG2      VAL  77  -0.004  -1.458  -1.458
  564   2HG2  VAL  77          2HG2      VAL  77   1.642  -0.832  -0.832
  565   3HG2  VAL  77          1HG2      VAL  77   1.021  -1.865  -1.865
  566    H    TYR  78           H        TYR  78   0.381  -4.972  -4.972
  567    HA   TYR  78           HA       TYR  78   2.388  -7.084  -7.084
  568   1HB   TYR  78          2HB       TYR  78   0.725  -5.776  -5.776
  569   2HB   TYR  78          1HB       TYR  78   1.053  -7.483  -7.483
  570    HD1  TYR  78           HD2      TYR  78   3.681  -7.907  -7.907
  571    HD2  TYR  78           HD1      TYR  78   2.186  -4.535  -4.535
  572    HE1  TYR  78           HE2      TYR  78   5.993  -7.339  -7.339
  573    HE2  TYR  78           HE1      TYR  78   4.493  -3.963  -3.963
  574    HH   TYR  78           HH       TYR  78   7.031  -6.044  -6.044
  575    H    CYS  79           H        CYS  79  -1.097  -6.841  -6.841
  576    HA   CYS  79           HA       CYS  79  -1.504  -9.752  -9.752
  577   1HB   CYS  79          2HB       CYS  79  -3.005  -7.564  -7.564
  578   2HB   CYS  79          1HB       CYS  79  -3.598  -7.941  -7.941
  579    HG   CYS  79           HG       CYS  79  -4.882  -9.310  -9.310
  580    H    ALA  80           H        ALA  80  -0.590  -7.560  -7.560
  581    HA   ALA  80           HA       ALA  80  -1.846  -9.016  -9.016
  582   1HB   ALA  80          3HB       ALA  80  -0.088  -6.628  -6.628
  583   2HB   ALA  80          2HB       ALA  80  -0.164  -7.341  -7.341
  584   3HB   ALA  80          1HB       ALA  80  -1.631  -6.733  -6.733
  585    H    LEU  81           H        LEU  81   1.065  -9.096  -9.096
  586    HA   LEU  81           HA       LEU  81   2.600 -10.562 -10.562
  587   1HB   LEU  81          2HB       LEU  81   3.307  -9.942  -9.942
  588   2HB   LEU  81          1HB       LEU  81   4.413 -10.245 -10.245
  589    HG   LEU  81           HG       LEU  81   2.506  -8.010  -8.010
  590   1HD1  LEU  81          3HD1      LEU  81   3.152  -7.868  -7.868
  591   2HD1  LEU  81          2HD1      LEU  81   4.844  -7.805  -7.805
  592   3HD1  LEU  81          1HD1      LEU  81   3.742  -6.508  -6.508
  593   1HD2  LEU  81          3HD2      LEU  81   4.330  -8.714  -8.714
  594   2HD2  LEU  81          2HD2      LEU  81   4.443  -7.030  -7.030
  595   3HD2  LEU  81          1HD2      LEU  81   5.501  -8.247  -8.247
  596    H    GLU  82           H        GLU  82   1.064 -11.106 -11.106
  597    HA   GLU  82           HA       GLU  82   2.051 -13.767 -13.767
  598   1HB   GLU  82          2HB       GLU  82  -0.026 -11.934 -11.934
  599   2HB   GLU  82          1HB       GLU  82  -0.367 -13.647 -13.647
  600   1HG   GLU  82          2HG       GLU  82   1.964 -13.883 -13.883
  601   2HG   GLU  82          1HG       GLU  82   2.087 -12.123 -12.123
  602    H    LYS  83           H        LYS  83  -1.042 -12.541 -12.541
  603    HA   LYS  83           HA       LYS  83  -1.224 -14.456 -14.456
  604   1HB   LYS  83          2HB       LYS  83  -1.764 -15.441 -15.441
  605   2HB   LYS  83          1HB       LYS  83  -3.123 -15.720 -15.720
  606   1HG   LYS  83          2HG       LYS  83  -0.892 -16.350 -16.350
  607   2HG   LYS  83          1HG       LYS  83  -0.504 -17.005 -17.005
  608   1HD   LYS  83          2HD       LYS  83  -2.810 -18.064 -18.064
  609   2HD   LYS  83          1HD       LYS  83  -2.950 -17.594 -17.594
  610   1HE   LYS  83          2HE       LYS  83  -0.960 -18.913 -18.913
  611   2HE   LYS  83          1HE       LYS  83  -0.737 -19.341 -19.341
  612   1HZ   LYS  83          3HZ       LYS  83  -3.404 -19.764 -19.764
  613   2HZ   LYS  83          2HZ       LYS  83  -2.208 -20.788 -20.788
  614   3HZ   LYS  83          1HZ       LYS  83  -2.484 -20.740 -20.740
  615    H    GLU  84           H        GLU  84  -2.878 -12.295 -12.295
  616    HA   GLU  84           HA       GLU  84  -5.445 -12.478 -12.478
  617   1HB   GLU  84          2HB       GLU  84  -4.265 -10.931 -10.931
  618   2HB   GLU  84          1HB       GLU  84  -5.810 -10.426 -10.426
  619   1HG   GLU  84          2HG       GLU  84  -5.164 -13.188 -13.188
  620   2HG   GLU  84          1HG       GLU  84  -6.178 -11.982 -11.982
  621    HA   PRO  85           HA       PRO  85  -4.144  -9.467  -9.467
  622   1HB   PRO  85          2HB       PRO  85  -6.540  -9.343  -9.343
  623   2HB   PRO  85          1HB       PRO  85  -5.375 -10.663 -10.663
  624   1HG   PRO  85          2HG       PRO  85  -7.861 -10.595 -10.595
  625   2HG   PRO  85          1HG       PRO  85  -7.190 -11.906 -11.906
  626   1HD   PRO  85          2HD       PRO  85  -6.973 -11.807 -11.807
  627   2HD   PRO  85          1HD       PRO  85  -5.790 -12.619 -12.619
  628    H    VAL  86           H        VAL  86  -5.397  -7.327  -7.327
  629    HA   VAL  86           HA       VAL  86  -6.743  -6.100  -6.100
  630    HB   VAL  86           HB       VAL  86  -4.490  -5.152  -5.152
  631   1HG1  VAL  86          2HG1      VAL  86  -6.556  -3.562  -3.562
  632   2HG1  VAL  86          1HG1      VAL  86  -4.886  -3.021  -3.021
  633   3HG1  VAL  86          3HG1      VAL  86  -5.631  -3.154  -3.154
  634   1HG2  VAL  86          2HG2      VAL  86  -3.941  -6.413  -6.413
  635   2HG2  VAL  86          1HG2      VAL  86  -3.414  -4.734  -4.734
  636   3HG2  VAL  86          3HG2      VAL  86  -4.880  -5.261  -5.261
  637    HA   PRO  87           HA       PRO  87  -9.564  -4.920  -4.920
  638   1HB   PRO  87          2HB       PRO  87 -11.579  -4.159  -4.159
  639   2HB   PRO  87          1HB       PRO  87 -11.215  -5.859  -5.859
  640   1HG   PRO  87          2HG       PRO  87 -10.754  -4.325  -4.325
  641   2HG   PRO  87          1HG       PRO  87 -10.836  -6.074  -6.074
  642   1HD   PRO  87          2HD       PRO  87  -8.506  -4.427  -4.427
  643   2HD   PRO  87          1HD       PRO  87  -8.586  -6.190  -6.190
  644    H    MET  88           H        MET  88 -11.270  -2.776  -2.776
  645    HA   MET  88           HA       MET  88  -9.435  -0.480  -0.480
  646   1HB   MET  88          2HB       MET  88 -11.297   0.410   0.410
  647   2HB   MET  88          1HB       MET  88  -9.635  -0.034  -0.034
  648   1HG   MET  88          2HG       MET  88 -10.986  -1.274  -1.274
  649   2HG   MET  88          1HG       MET  88 -10.508  -2.433  -2.433
  650   1HE   MET  88          2HE       MET  88 -12.980   0.056   0.056
  651   2HE   MET  88          1HE       MET  88 -14.547  -0.363  -0.363
  652   3HE   MET  88          3HE       MET  88 -13.339   0.467   0.467
  653    H    SER  89           H        SER  89 -12.095  -1.996  -1.996
  654    HA   SER  89           HA       SER  89 -13.649   0.506   0.506
  655   1HB   SER  89          2HB       SER  89 -14.320  -2.414  -2.414
  656   2HB   SER  89          1HB       SER  89 -15.437  -1.077  -1.077
  657    HG   SER  89           HG       SER  89 -15.469  -2.130  -2.130
  658    H    LEU  90           H        LEU  90 -12.613   1.418   1.418
  659    HA   LEU  90           HA       LEU  90 -11.540   0.134   0.134
  660   1HB   LEU  90          2HB       LEU  90 -12.121   2.740   2.740
  661   2HB   LEU  90          1HB       LEU  90 -12.889   2.613   2.613
  662    HG   LEU  90           HG       LEU  90 -10.015   1.848   1.848
  663   1HD1  LEU  90          2HD1      LEU  90 -11.285   4.388   4.388
  664   2HD1  LEU  90          1HD1      LEU  90  -9.630   3.958   3.958
  665   3HD1  LEU  90          3HD1      LEU  90 -10.064   4.201   4.201
  666   1HD2  LEU  90          2HD2      LEU  90 -11.844   1.617   1.617
  667   2HD2  LEU  90          1HD2      LEU  90 -10.349   0.744   0.744
  668   3HD2  LEU  90          3HD2      LEU  90 -10.286   2.348   2.348
  669    HA   PRO  91           HA       PRO  91 -15.526  -1.470  -1.470
  670   1HB   PRO  91          2HB       PRO  91 -14.450  -3.163  -3.163
  671   2HB   PRO  91          1HB       PRO  91 -14.556  -3.566  -3.566
  672   1HG   PRO  91          2HG       PRO  91 -12.235  -2.547  -2.547
  673   2HG   PRO  91          1HG       PRO  91 -12.283  -3.791  -3.791
  674   1HD   PRO  91          2HD       PRO  91 -11.435  -1.264  -1.264
  675   2HD   PRO  91          1HD       PRO  91 -12.255  -2.248  -2.248
  676    HA   PRO  92           HA       PRO  92 -16.065   1.019   1.019
  677   1HB   PRO  92          2HB       PRO  92 -17.892  -0.413  -0.413
  678   2HB   PRO  92          1HB       PRO  92 -18.307   0.466   0.466
  679   1HG   PRO  92          2HG       PRO  92 -17.777  -2.437  -2.437
  680   2HG   PRO  92          1HG       PRO  92 -18.984  -1.640  -1.640
  681   1HD   PRO  92          2HD       PRO  92 -16.668  -2.683  -2.683
  682   2HD   PRO  92          1HD       PRO  92 -17.500  -1.300  -1.300
  683    H    ALA  93           H        ALA  93 -14.798  -2.151  -2.151
  684    HA   ALA  93           HA       ALA  93 -14.269  -1.889  -1.889
  685   1HB   ALA  93          3HB       ALA  93 -14.511  -3.956  -3.956
  686   2HB   ALA  93          2HB       ALA  93 -12.859  -4.024  -4.024
  687   3HB   ALA  93          1HB       ALA  93 -14.220  -4.141  -4.141
  688    H    LEU  94           H        LEU  94 -13.102  -0.130  -0.130
  689    HA   LEU  94           HA       LEU  94 -10.209  -0.523  -0.523
  690   1HB   LEU  94          2HB       LEU  94 -11.737  -0.108  -0.108
  691   2HB   LEU  94          1HB       LEU  94 -10.343   0.960   0.960
  692    HG   LEU  94           HG       LEU  94  -9.700  -1.123  -1.123
  693   1HD1  LEU  94          3HD1      LEU  94  -8.536  -0.055  -0.055
  694   2HD1  LEU  94          2HD1      LEU  94  -8.310  -1.805  -1.805
  695   3HD1  LEU  94          1HD1      LEU  94  -7.734  -0.850  -0.850
  696   1HD2  LEU  94          2HD2      LEU  94 -11.462  -2.259  -2.259
  697   2HD2  LEU  94          1HD2      LEU  94 -10.588  -3.092  -3.092
  698   3HD2  LEU  94          3HD2      LEU  94  -9.859  -2.924  -2.924
  699    H    VAL  95           H        VAL  95 -12.921   1.582   1.582
  700    HA   VAL  95           HA       VAL  95 -11.368   4.076   4.076
  701    HB   VAL  95           HB       VAL  95 -13.667   4.994   4.994
  702   1HG1  VAL  95          1HG1      VAL  95 -12.704   4.458   4.458
  703   2HG1  VAL  95          3HG1      VAL  95 -13.693   2.998   2.998
  704   3HG1  VAL  95          2HG1      VAL  95 -14.460   4.585   4.585
  705   1HG2  VAL  95          2HG2      VAL  95 -14.123   2.308   2.308
  706   2HG2  VAL  95          1HG2      VAL  95 -15.288   3.632   3.632
  707   3HG2  VAL  95          3HG2      VAL  95 -15.110   2.585   2.585
  708    HA   PRO  96           HA       PRO  96 -10.755   3.531   3.531
  709   1HB   PRO  96          2HB       PRO  96  -9.200   5.764   5.764
  710   2HB   PRO  96          1HB       PRO  96  -8.572   4.242   4.242
  711   1HG   PRO  96          2HG       PRO  96  -9.365   6.729   6.729
  712   2HG   PRO  96          1HG       PRO  96  -8.049   5.600   5.600
  713   1HD   PRO  96          2HD       PRO  96 -10.429   5.674   5.674
  714   2HD   PRO  96          1HD       PRO  96  -9.381   4.244   4.244
  715    HA   PRO  97           HA       PRO  97 -13.628   6.377   6.377
  716   1HB   PRO  97          2HB       PRO  97 -12.454   7.360   7.360
  717   2HB   PRO  97          1HB       PRO  97 -13.076   5.702   5.702
  718   1HG   PRO  97          2HG       PRO  97 -10.275   6.695   6.695
  719   2HG   PRO  97          1HG       PRO  97 -10.893   5.234   5.234
  720   1HD   PRO  97          2HD       PRO  97  -9.714   5.204   5.204
  721   2HD   PRO  97          1HD       PRO  97 -10.976   4.048   4.048
  722    H    SER  98           H        SER  98 -12.722   7.635   7.635
  723    HA   SER  98           HA       SER  98 -12.272  10.420  10.420
  724   1HB   SER  98          2HB       SER  98 -10.227   8.903   8.903
  725   2HB   SER  98          1HB       SER  98 -10.863   9.525   9.525
  726    HG   SER  98           HG       SER  98 -10.558  11.320  11.320
  727    H    LYS  99           H        LYS  99 -12.704   8.451   8.451
  728    HA   LYS  99           HA       LYS  99 -14.535  10.486  10.486
  729   1HB   LYS  99          2HB       LYS  99 -12.770   9.315   9.315
  730   2HB   LYS  99          1HB       LYS  99 -13.591   7.786   7.786
  731   1HG   LYS  99          2HG       LYS  99 -14.833   8.191   8.191
  732   2HG   LYS  99          1HG       LYS  99 -15.613   9.482   9.482
  733   1HD   LYS  99          2HD       LYS  99 -14.280  11.144  11.144
  734   2HD   LYS  99          1HD       LYS  99 -12.977  10.019  10.019
  735   1HE   LYS  99          2HE       LYS  99 -14.005   9.291   9.291
  736   2HE   LYS  99          1HE       LYS  99 -15.636   9.630   9.630
  737   1HZ   LYS  99          2HZ       LYS  99 -15.110  12.002  12.002
  738   2HZ   LYS  99          1HZ       LYS  99 -13.582  11.658  11.658
  739   3HZ   LYS  99          3HZ       LYS  99 -14.982  11.313  11.313
  740    H    ARG 100           H        ARG 100 -14.895   8.348   8.348
  741    HA   ARG 100           HA       ARG 100 -17.065   6.643   6.643
  742   1HB   ARG 100          2HB       ARG 100 -16.372   7.688   7.688
  743   2HB   ARG 100          1HB       ARG 100 -17.320   6.246   6.246
  744   1HG   ARG 100          2HG       ARG 100 -14.397   6.708   6.708
  745   2HG   ARG 100          1HG       ARG 100 -15.064   5.550   5.550
  746   1HD   ARG 100          2HD       ARG 100 -15.636   5.480   5.480
  747   2HD   ARG 100          1HD       ARG 100 -14.421   4.474   4.474
  748    HE   ARG 100           HE       ARG 100 -17.355   4.262   4.262
  749   1HH1  ARG 100          1HH2      ARG 100 -14.222   3.600   3.600
  750   2HH1  ARG 100          2HH2      ARG 100 -14.668   2.067   2.067
  751   1HH2  ARG 100          2HH1      ARG 100 -17.914   2.175   2.175
  752   2HH2  ARG 100          1HH1      ARG 100 -16.756   1.261   1.261

  Start of MODEL   18
    1    HA   PRO   6           HA       PRO   6 -14.200  -1.686  -1.686
    2   1HB   PRO   6          2HB       PRO   6 -12.338  -3.651  -3.651
    3   2HB   PRO   6          1HB       PRO   6 -13.525  -3.680  -3.680
    4   1HG   PRO   6          2HG       PRO   6 -13.517  -5.165  -5.165
    5   2HG   PRO   6          1HG       PRO   6 -14.067  -5.679  -5.679
    6   1HD   PRO   6          2HD       PRO   6 -15.738  -4.873  -4.873
    7   2HD   PRO   6          1HD       PRO   6 -16.150  -4.805  -4.805
    8    H    TRP   7           H        TRP   7 -11.628  -1.916  -1.916
    9    HA   TRP   7           HA       TRP   7 -11.866  -0.691  -0.691
   10   1HB   TRP   7          2HB       TRP   7 -10.693   0.411   0.411
   11   2HB   TRP   7          1HB       TRP   7  -9.533  -0.919  -0.919
   12    HD1  TRP   7           HD1      TRP   7 -10.844   0.220   0.220
   13    HE1  TRP   7           HE1      TRP   7  -8.973   1.411   1.411
   14    HE3  TRP   7           HE3      TRP   7  -7.329   0.623   0.623
   15    HZ2  TRP   7           HZ2      TRP   7  -6.334   2.421   2.421
   16    HZ3  TRP   7           HZ3      TRP   7  -5.145   1.707   1.707
   17    HH2  TRP   7           HH2      TRP   7  -4.645   2.604   2.604
   18    H    ALA   8           H        ALA   8 -10.965  -1.655  -1.655
   19    HA   ALA   8           HA       ALA   8 -10.435  -4.440  -4.440
   20   1HB   ALA   8          2HB       ALA   8 -11.097  -2.970  -2.970
   21   2HB   ALA   8          1HB       ALA   8  -9.515  -2.189  -2.189
   22   3HB   ALA   8          3HB       ALA   8  -9.639  -3.888  -3.888
   23    H    VAL   9           H        VAL   9  -8.336  -1.727  -1.727
   24    HA   VAL   9           HA       VAL   9  -5.913  -3.439  -3.439
   25    HB   VAL   9           HB       VAL   9  -6.492  -0.513  -0.513
   26   1HG1  VAL   9          3HG1      VAL   9  -3.820  -1.930  -1.930
   27   2HG1  VAL   9          2HG1      VAL   9  -4.024  -0.180  -0.180
   28   3HG1  VAL   9          1HG1      VAL   9  -4.663  -1.070  -1.070
   29   1HG2  VAL   9          1HG2      VAL   9  -5.049  -2.153  -2.153
   30   2HG2  VAL   9          3HG2      VAL   9  -6.500  -1.168  -1.168
   31   3HG2  VAL   9          2HG2      VAL   9  -4.941  -0.395  -0.395
   32    H    LYS  10           H        LYS  10  -4.439  -3.575  -3.575
   33    HA   LYS  10           HA       LYS  10  -6.002  -3.657  -3.657
   34   1HB   LYS  10          2HB       LYS  10  -3.946  -5.296  -5.296
   35   2HB   LYS  10          1HB       LYS  10  -3.700  -5.099  -5.099
   36   1HG   LYS  10          2HG       LYS  10  -6.061  -5.815  -5.815
   37   2HG   LYS  10          1HG       LYS  10  -6.213  -6.116  -6.116
   38   1HD   LYS  10          2HD       LYS  10  -3.829  -7.401  -7.401
   39   2HD   LYS  10          1HD       LYS  10  -5.114  -7.840  -7.840
   40   1HE   LYS  10          2HE       LYS  10  -5.956  -7.884  -7.884
   41   2HE   LYS  10          1HE       LYS  10  -4.708  -9.080  -9.080
   42   1HZ   LYS  10          1HZ       LYS  10  -6.985  -8.627  -8.627
   43   2HZ   LYS  10          3HZ       LYS  10  -7.170  -9.648  -9.648
   44   3HZ   LYS  10          2HZ       LYS  10  -6.002 -10.004 -10.004
   45    HA   PRO  11           HA       PRO  11  -3.348  -0.754  -0.754
   46   1HB   PRO  11          2HB       PRO  11  -2.735  -1.963  -1.963
   47   2HB   PRO  11          1HB       PRO  11  -4.340  -1.288  -1.288
   48   1HG   PRO  11          2HG       PRO  11  -3.410  -4.116  -4.116
   49   2HG   PRO  11          1HG       PRO  11  -4.948  -3.455  -3.455
   50   1HD   PRO  11          2HD       PRO  11  -4.663  -4.636  -4.636
   51   2HD   PRO  11          1HD       PRO  11  -5.845  -3.347  -3.347
   52    H    GLU  12           H        GLU  12  -2.198  -4.094  -4.094
   53    HA   GLU  12           HA       GLU  12   0.614  -3.385  -3.385
   54   1HB   GLU  12          2HB       GLU  12  -0.365  -5.970  -5.970
   55   2HB   GLU  12          1HB       GLU  12   0.929  -5.711  -5.711
   56   1HG   GLU  12          2HG       GLU  12  -1.149  -4.814  -4.814
   57   2HG   GLU  12          1HG       GLU  12  -2.001  -5.975  -5.975
   58    H    ASP  13           H        ASP  13  -1.565  -3.897  -3.897
   59    HA   ASP  13           HA       ASP  13   0.562  -4.018  -4.018
   60   1HB   ASP  13          2HB       ASP  13  -2.456  -3.855  -3.855
   61   2HB   ASP  13          1HB       ASP  13  -1.564  -3.736  -3.736
   62    H    LYS  14           H        LYS  14  -1.644  -1.643  -1.643
   63    HA   LYS  14           HA       LYS  14  -1.051   0.480   0.480
   64   1HB   LYS  14          2HB       LYS  14  -3.087   0.633   0.633
   65   2HB   LYS  14          1HB       LYS  14  -2.339   0.185   0.185
   66   1HG   LYS  14          2HG       LYS  14  -2.861   2.570   2.570
   67   2HG   LYS  14          1HG       LYS  14  -1.111   2.352   2.352
   68   1HD   LYS  14          2HD       LYS  14  -0.896   3.206   3.206
   69   2HD   LYS  14          1HD       LYS  14  -2.421   2.509   2.509
   70   1HE   LYS  14          2HE       LYS  14  -3.692   4.294   4.294
   71   2HE   LYS  14          1HE       LYS  14  -2.425   4.772   4.772
   72   1HZ   LYS  14          1HZ       LYS  14  -1.645   4.721   4.721
   73   2HZ   LYS  14          3HZ       LYS  14  -2.757   5.933   5.933
   74   3HZ   LYS  14          2HZ       LYS  14  -1.262   5.846   5.846
   75    H    ALA  15           H        ALA  15   0.521  -0.862  -0.862
   76    HA   ALA  15           HA       ALA  15   2.082   1.482   1.482
   77   1HB   ALA  15          3HB       ALA  15   1.456  -0.668  -0.668
   78   2HB   ALA  15          2HB       ALA  15   2.798  -1.420  -1.420
   79   3HB   ALA  15          1HB       ALA  15   3.091  -0.038  -0.038
   80    H    LYS  16           H        LYS  16   2.617  -1.415  -1.415
   81    HA   LYS  16           HA       LYS  16   5.328  -0.651  -0.651
   82   1HB   LYS  16          2HB       LYS  16   5.307  -2.713  -2.713
   83   2HB   LYS  16          1HB       LYS  16   3.871  -2.931  -2.931
   84   1HG   LYS  16          2HG       LYS  16   2.434  -2.290  -2.290
   85   2HG   LYS  16          1HG       LYS  16   3.832  -1.887  -1.887
   86   1HD   LYS  16          2HD       LYS  16   2.972  -4.623  -4.623
   87   2HD   LYS  16          1HD       LYS  16   3.143  -4.072  -4.072
   88   1HE   LYS  16          2HE       LYS  16   5.185  -5.113  -5.113
   89   2HE   LYS  16          1HE       LYS  16   5.663  -3.598  -3.598
   90   1HZ   LYS  16          2HZ       LYS  16   4.637  -4.692  -4.692
   91   2HZ   LYS  16          1HZ       LYS  16   4.855  -6.150  -6.150
   92   3HZ   LYS  16          3HZ       LYS  16   6.193  -5.172  -5.172
   93    H    TYR  17           H        TYR  17   2.106   0.030   0.030
   94    HA   TYR  17           HA       TYR  17   2.831   1.083   1.083
   95   1HB   TYR  17          2HB       TYR  17   0.437   1.552   1.552
   96   2HB   TYR  17          1HB       TYR  17   0.513   1.960   1.960
   97    HD1  TYR  17           HD2      TYR  17   2.383  -0.906  -0.906
   98    HD2  TYR  17           HD1      TYR  17  -1.690   0.361   0.361
   99    HE1  TYR  17           HE2      TYR  17   1.605  -3.186  -3.186
  100    HE2  TYR  17           HE1      TYR  17  -2.473  -1.918  -1.918
  101    HH   TYR  17           HH       TYR  17  -1.734  -4.137  -4.137
  102    H    ASP  18           H        ASP  18   2.283   2.359   2.359
  103    HA   ASP  18           HA       ASP  18   2.570   5.160   5.160
  104   1HB   ASP  18          2HB       ASP  18   1.517   3.840   3.840
  105   2HB   ASP  18          1HB       ASP  18   3.126   4.104   4.104
  106    H    ALA  19           H        ALA  19   4.808   2.604   2.604
  107    HA   ALA  19           HA       ALA  19   7.057   4.427   4.427
  108   1HB   ALA  19          2HB       ALA  19   6.382   1.648   1.648
  109   2HB   ALA  19          1HB       ALA  19   7.855   1.748   1.748
  110   3HB   ALA  19          3HB       ALA  19   7.794   2.497   2.497
  111    H    ILE  20           H        ILE  20   5.654   2.532   2.532
  112    HA   ILE  20           HA       ILE  20   7.777   2.981   2.981
  113    HB   ILE  20           HB       ILE  20   4.954   1.891   1.891
  114   1HG1  ILE  20          2HG1      ILE  20   7.576   0.562   0.562
  115   2HG1  ILE  20          1HG1      ILE  20   6.916   0.577   0.577
  116   1HG2  ILE  20          2HG2      ILE  20   5.729   3.107   3.107
  117   2HG2  ILE  20          1HG2      ILE  20   6.615   1.602   1.602
  118   3HG2  ILE  20          3HG2      ILE  20   4.862   1.576   1.576
  119   1HD1  ILE  20          3HD1      ILE  20   5.447  -0.497  -0.497
  120   2HD1  ILE  20          2HD1      ILE  20   6.327  -1.497  -1.497
  121   3HD1  ILE  20          1HD1      ILE  20   4.912  -0.584  -0.584
  122    H    PHE  21           H        PHE  21   4.792   4.467   4.467
  123    HA   PHE  21           HA       PHE  21   4.452   6.276   6.276
  124   1HB   PHE  21          2HB       PHE  21   2.479   5.959   5.959
  125   2HB   PHE  21          1HB       PHE  21   3.306   5.736   5.736
  126    HD1  PHE  21           HD2      PHE  21   4.383   7.833   7.833
  127    HD2  PHE  21           HD1      PHE  21   1.426   8.014   8.014
  128    HE1  PHE  21           HE2      PHE  21   3.869  10.174  10.174
  129    HE2  PHE  21           HE1      PHE  21   0.910  10.358  10.358
  130    HZ   PHE  21           HZ       PHE  21   2.134  11.437  11.437
  131    H    ASP  22           H        ASP  22   5.970   6.404   6.404
  132    HA   ASP  22           HA       ASP  22   6.833   9.207   9.207
  133   1HB   ASP  22          2HB       ASP  22   6.092   8.632   8.632
  134   2HB   ASP  22          1HB       ASP  22   6.979   7.105   7.105
  135    H    SER  23           H        SER  23   7.901   6.297   6.297
  136    HA   SER  23           HA       SER  23  10.800   6.767   6.767
  137   1HB   SER  23          2HB       SER  23  10.347   4.488   4.488
  138   2HB   SER  23          1HB       SER  23   9.007   4.608   4.608
  139    HG   SER  23           HG       SER  23  11.641   4.100   4.100
  140    H    LEU  24           H        LEU  24   8.408   7.861   7.861
  141    HA   LEU  24           HA       LEU  24  10.219   8.208   8.208
  142   1HB   LEU  24          2HB       LEU  24   7.336   8.841   8.841
  143   2HB   LEU  24          1HB       LEU  24   8.346   7.906   7.906
  144    HG   LEU  24           HG       LEU  24   7.283   6.887   6.887
  145   1HD1  LEU  24          2HD1      LEU  24   5.814   7.361   7.361
  146   2HD1  LEU  24          1HD1      LEU  24   6.302   5.679   5.679
  147   3HD1  LEU  24          3HD1      LEU  24   5.408   6.169   6.169
  148   1HD2  LEU  24          1HD2      LEU  24   8.976   5.763   5.763
  149   2HD2  LEU  24          3HD2      LEU  24   9.133   5.554   5.554
  150   3HD2  LEU  24          2HD2      LEU  24   7.878   4.686   4.686
  151    H    SER  25           H        SER  25   9.009   9.723   9.723
  152    HA   SER  25           HA       SER  25   9.259  11.979  11.979
  153   1HB   SER  25          2HB       SER  25  10.916  11.909  11.909
  154   2HB   SER  25          1HB       SER  25   9.641  12.816  12.816
  155    HG   SER  25           HG       SER  25   9.771  14.355  14.355
  156    HA   PRO  26           HA       PRO  26   4.909  12.345  12.345
  157   1HB   PRO  26          2HB       PRO  26   4.117  13.237  13.237
  158   2HB   PRO  26          1HB       PRO  26   4.355  11.516  11.516
  159   1HG   PRO  26          2HG       PRO  26   6.164  13.417  13.417
  160   2HG   PRO  26          1HG       PRO  26   5.804  11.722  11.722
  161   1HD   PRO  26          2HD       PRO  26   8.078  12.511  12.511
  162   2HD   PRO  26          1HD       PRO  26   7.313  10.930  10.930
  163    H    VAL  27           H        VAL  27   3.749  14.194  14.194
  164    HA   VAL  27           HA       VAL  27   5.098  16.817  16.817
  165    HB   VAL  27           HB       VAL  27   3.415  15.934  15.934
  166   1HG1  VAL  27          2HG1      VAL  27   3.529  18.421  18.421
  167   2HG1  VAL  27          1HG1      VAL  27   5.228  18.342  18.342
  168   3HG1  VAL  27          3HG1      VAL  27   3.971  18.020  18.020
  169   1HG2  VAL  27          1HG2      VAL  27   5.805  14.913  14.913
  170   2HG2  VAL  27          3HG2      VAL  27   5.392  15.503  15.503
  171   3HG2  VAL  27          2HG2      VAL  27   6.368  16.498  16.498
  172    H    ASN  28           H        ASN  28   3.844  17.529  17.529
  173    HA   ASN  28           HA       ASN  28   1.936  18.356  18.356
  174   1HB   ASN  28          2HB       ASN  28   1.761  19.739  19.739
  175   2HB   ASN  28          1HB       ASN  28   1.049  18.411  18.411
  176   1HD2  ASN  28          1HD2      ASN  28  -1.209  18.255  18.255
  177   2HD2  ASN  28          2HD2      ASN  28  -2.216  19.104  19.104
  178    H    GLY  29           H        GLY  29   2.301  15.428  15.428
  179   1HA   GLY  29          2HA       GLY  29   1.020  13.589  13.589
  180   2HA   GLY  29          1HA       GLY  29  -0.426  14.597  14.597
  181    H    PHE  30           H        PHE  30   1.840  14.158  14.158
  182    HA   PHE  30           HA       PHE  30  -0.048  12.335  12.335
  183   1HB   PHE  30          2HB       PHE  30   0.693  15.141  15.141
  184   2HB   PHE  30          1HB       PHE  30  -0.106  13.968  13.968
  185    HD1  PHE  30           HD2      PHE  30  -2.316  13.018  13.018
  186    HD2  PHE  30           HD1      PHE  30  -0.509  16.326  16.326
  187    HE1  PHE  30           HE2      PHE  30  -4.517  13.603  13.603
  188    HE2  PHE  30           HE1      PHE  30  -2.691  16.911  16.911
  189    HZ   PHE  30           HZ       PHE  30  -4.703  15.552  15.552
  190    H    LEU  31           H        LEU  31   0.907  11.323  11.323
  191    HA   LEU  31           HA       LEU  31   3.845  11.846  11.846
  192   1HB   LEU  31          2HB       LEU  31   2.303   9.267   9.267
  193   2HB   LEU  31          1HB       LEU  31   3.840   9.324   9.324
  194    HG   LEU  31           HG       LEU  31   3.545  10.404  10.404
  195   1HD1  LEU  31          3HD1      LEU  31   3.216   7.734   7.734
  196   2HD1  LEU  31          2HD1      LEU  31   4.925   7.840   7.840
  197   3HD1  LEU  31          1HD1      LEU  31   3.697   8.326   8.326
  198   1HD2  LEU  31          3HD2      LEU  31   5.789   9.778   9.778
  199   2HD2  LEU  31          2HD2      LEU  31   5.547  11.211  11.211
  200   3HD2  LEU  31          1HD2      LEU  31   6.080   9.697   9.697
  201    H    SER  32           H        SER  32   4.245  12.490  12.490
  202    HA   SER  32           HA       SER  32   2.233  12.490  12.490
  203   1HB   SER  32          2HB       SER  32   5.135  12.937  12.937
  204   2HB   SER  32          1HB       SER  32   3.738  13.878  13.878
  205    HG   SER  32           HG       SER  32   4.800  15.023  15.023
  206    H    GLY  33           H        GLY  33   2.020  11.150  11.150
  207   1HA   GLY  33          2HA       GLY  33   2.811   8.486   8.486
  208   2HA   GLY  33          1HA       GLY  33   2.456   9.366   9.366
  209    H    ASP  34           H        ASP  34   4.701  11.289  11.289
  210    HA   ASP  34           HA       ASP  34   6.758  10.110  10.110
  211   1HB   ASP  34          2HB       ASP  34   6.506  12.418  12.418
  212   2HB   ASP  34          1HB       ASP  34   8.085  12.019  12.019
  213    H    LYS  35           H        LYS  35   6.234  10.139  10.139
  214    HA   LYS  35           HA       LYS  35   8.782   8.661   8.661
  215   1HB   LYS  35          2HB       LYS  35   8.489   9.344   9.344
  216   2HB   LYS  35          1HB       LYS  35   7.999  10.720  10.720
  217   1HG   LYS  35          2HG       LYS  35   5.646   9.374   9.374
  218   2HG   LYS  35          1HG       LYS  35   6.392   9.009   9.009
  219   1HD   LYS  35          2HD       LYS  35   5.868  11.736  11.736
  220   2HD   LYS  35          1HD       LYS  35   5.163  11.056  11.056
  221   1HE   LYS  35          2HE       LYS  35   7.292  11.123  11.123
  222   2HE   LYS  35          1HE       LYS  35   8.131  11.585  11.585
  223   1HZ   LYS  35          2HZ       LYS  35   6.192  13.403  13.403
  224   2HZ   LYS  35          1HZ       LYS  35   6.427  13.184  13.184
  225   3HZ   LYS  35          3HZ       LYS  35   7.724  13.661  13.661
  226    H    VAL  36           H        VAL  36   5.330   8.344   8.344
  227    HA   VAL  36           HA       VAL  36   5.313   5.759   5.759
  228    HB   VAL  36           HB       VAL  36   3.262   7.342   7.342
  229   1HG1  VAL  36          1HG1      VAL  36   3.222   4.609   4.609
  230   2HG1  VAL  36          3HG1      VAL  36   2.032   5.542   5.542
  231   3HG1  VAL  36          2HG1      VAL  36   1.967   5.505   5.505
  232   1HG2  VAL  36          3HG2      VAL  36   4.044   7.126   7.126
  233   2HG2  VAL  36          2HG2      VAL  36   3.699   8.568   8.568
  234   3HG2  VAL  36          1HG2      VAL  36   2.379   7.524   7.524
  235    H    LYS  37           H        LYS  37   4.712   6.890   6.890
  236    HA   LYS  37           HA       LYS  37   4.128   4.574   4.574
  237   1HB   LYS  37          2HB       LYS  37   4.326   6.710   6.710
  238   2HB   LYS  37          1HB       LYS  37   6.037   6.824   6.824
  239   1HG   LYS  37          2HG       LYS  37   6.671   5.419   5.419
  240   2HG   LYS  37          1HG       LYS  37   5.228   4.414   4.414
  241   1HD   LYS  37          2HD       LYS  37   4.648   7.149   7.149
  242   2HD   LYS  37          1HD       LYS  37   5.671   6.245   6.245
  243   1HE   LYS  37          2HE       LYS  37   4.035   4.615   4.615
  244   2HE   LYS  37          1HE       LYS  37   3.212   4.940   4.940
  245   1HZ   LYS  37          1HZ       LYS  37   3.456   7.016   7.016
  246   2HZ   LYS  37          3HZ       LYS  37   2.168   5.911   5.911
  247   3HZ   LYS  37          2HZ       LYS  37   2.379   6.959   6.959
  248    HA   PRO  38           HA       PRO  38   8.773   3.286   3.286
  249   1HB   PRO  38          2HB       PRO  38  10.422   4.434   4.434
  250   2HB   PRO  38          1HB       PRO  38  10.213   5.093   5.093
  251   1HG   PRO  38          2HG       PRO  38   8.918   5.933   5.933
  252   2HG   PRO  38          1HG       PRO  38   9.598   6.932   6.932
  253   1HD   PRO  38          2HD       PRO  38   6.961   6.537   6.537
  254   2HD   PRO  38          1HD       PRO  38   7.748   6.670   6.670
  255    H    VAL  39           H        VAL  39   7.356   4.267   4.267
  256    HA   VAL  39           HA       VAL  39   8.350   2.069   2.069
  257    HB   VAL  39           HB       VAL  39   6.299   4.256   4.256
  258   1HG1  VAL  39          2HG1      VAL  39   6.241   1.734   1.734
  259   2HG1  VAL  39          1HG1      VAL  39   6.109   3.211   3.211
  260   3HG1  VAL  39          3HG1      VAL  39   4.945   2.884   2.884
  261   1HG2  VAL  39          3HG2      VAL  39   8.938   4.077   4.077
  262   2HG2  VAL  39          2HG2      VAL  39   7.799   5.229   5.229
  263   3HG2  VAL  39          1HG2      VAL  39   8.150   3.715   3.715
  264    H    LEU  40           H        LEU  40   5.982   2.354   2.354
  265    HA   LEU  40           HA       LEU  40   4.398   0.037   0.037
  266   1HB   LEU  40          2HB       LEU  40   4.127   1.992   1.992
  267   2HB   LEU  40          1HB       LEU  40   2.994   0.673   0.673
  268    HG   LEU  40           HG       LEU  40   3.657   2.875   2.875
  269   1HD1  LEU  40          1HD1      LEU  40   1.561   2.542   2.542
  270   2HD1  LEU  40          3HD1      LEU  40   1.045   3.203   3.203
  271   3HD1  LEU  40          2HD1      LEU  40   2.303   4.017   4.017
  272   1HD2  LEU  40          2HD2      LEU  40   1.787   0.502   0.502
  273   2HD2  LEU  40          1HD2      LEU  40   3.027   0.939   0.939
  274   3HD2  LEU  40          3HD2      LEU  40   1.553   1.898   1.898
  275    H    LEU  41           H        LEU  41   6.976   0.892   0.892
  276    HA   LEU  41           HA       LEU  41   6.687  -1.320  -1.320
  277   1HB   LEU  41          2HB       LEU  41   8.908   0.620   0.620
  278   2HB   LEU  41          1HB       LEU  41   8.991  -0.512  -0.512
  279    HG   LEU  41           HG       LEU  41   6.768   1.506   1.506
  280   1HD1  LEU  41          2HD1      LEU  41   9.506   1.872   1.872
  281   2HD1  LEU  41          1HD1      LEU  41   8.434   2.151   2.151
  282   3HD1  LEU  41          3HD1      LEU  41   8.220   3.073   3.073
  283   1HD2  LEU  41          2HD2      LEU  41   6.786  -0.758  -0.758
  284   2HD2  LEU  41          1HD2      LEU  41   5.967   0.709   0.709
  285   3HD2  LEU  41          3HD2      LEU  41   7.577   0.323   0.323
  286    H    ASN  42           H        ASN  42   8.508  -0.614  -0.614
  287    HA   ASN  42           HA       ASN  42  10.345  -2.700  -2.700
  288   1HB   ASN  42          2HB       ASN  42  10.228  -2.394  -2.394
  289   2HB   ASN  42          1HB       ASN  42   9.729  -0.845  -0.845
  290   1HD2  ASN  42          1HD2      ASN  42   7.076  -1.264  -1.264
  291   2HD2  ASN  42          2HD2      ASN  42   6.162  -1.705  -1.705
  292    H    SER  43           H        SER  43   6.867  -2.876  -2.876
  293    HA   SER  43           HA       SER  43   6.597  -5.518  -5.518
  294   1HB   SER  43          2HB       SER  43   4.599  -4.296  -4.296
  295   2HB   SER  43          1HB       SER  43   4.349  -5.059  -5.059
  296    HG   SER  43           HG       SER  43   5.058  -2.449  -2.449
  297    H    LYS  44           H        LYS  44   8.079  -4.726  -4.726
  298    HA   LYS  44           HA       LYS  44   8.503  -5.926  -5.926
  299   1HB   LYS  44          2HB       LYS  44   8.599  -7.628  -7.628
  300   2HB   LYS  44          1HB       LYS  44   7.232  -8.338  -8.338
  301   1HG   LYS  44          2HG       LYS  44   8.509  -8.942  -8.942
  302   2HG   LYS  44          1HG       LYS  44   9.640  -7.606  -7.606
  303   1HD   LYS  44          2HD       LYS  44   9.477  -9.887  -9.887
  304   2HD   LYS  44          1HD       LYS  44  10.512  -9.965  -9.965
  305   1HE   LYS  44          2HE       LYS  44  11.989  -8.402  -8.402
  306   2HE   LYS  44          1HE       LYS  44  10.713  -7.493  -7.493
  307   1HZ   LYS  44          1HZ       LYS  44  11.405 -10.246 -10.246
  308   2HZ   LYS  44          3HZ       LYS  44  12.284  -8.926  -8.926
  309   3HZ   LYS  44          2HZ       LYS  44  10.615  -9.039  -9.039
  310    H    LEU  45           H        LEU  45   5.605  -4.899  -4.899
  311    HA   LEU  45           HA       LEU  45   3.957  -6.591  -6.591
  312   1HB   LEU  45          2HB       LEU  45   3.549  -4.430  -4.430
  313   2HB   LEU  45          1HB       LEU  45   2.282  -4.705  -4.705
  314    HG   LEU  45           HG       LEU  45   3.480  -6.874  -6.874
  315   1HD1  LEU  45          3HD1      LEU  45   1.992  -4.926  -4.926
  316   2HD1  LEU  45          2HD1      LEU  45   0.680  -5.859  -5.859
  317   3HD1  LEU  45          1HD1      LEU  45   1.739  -6.604  -6.604
  318   1HD2  LEU  45          3HD2      LEU  45   2.230  -7.182  -7.182
  319   2HD2  LEU  45          2HD2      LEU  45   2.069  -8.343  -8.343
  320   3HD2  LEU  45          1HD2      LEU  45   0.824  -7.120  -7.120
  321    HA   PRO  46           HA       PRO  46   4.305  -3.836  -3.836
  322   1HB   PRO  46          2HB       PRO  46   1.821  -4.079  -4.079
  323   2HB   PRO  46          1HB       PRO  46   3.067  -5.338  -5.338
  324   1HG   PRO  46          2HG       PRO  46   0.672  -5.187  -5.187
  325   2HG   PRO  46          1HG       PRO  46   1.439  -6.590  -6.590
  326   1HD   PRO  46          2HD       PRO  46   1.727  -5.897  -5.897
  327   2HD   PRO  46          1HD       PRO  46   2.884  -6.889  -6.889
  328    H    VAL  47           H        VAL  47   3.557  -1.735  -1.735
  329    HA   VAL  47           HA       VAL  47   2.766   0.092   0.092
  330    HB   VAL  47           HB       VAL  47   2.882   0.112   0.112
  331   1HG1  VAL  47          2HG1      VAL  47   1.677   2.123   2.123
  332   2HG1  VAL  47          1HG1      VAL  47   2.730   2.739   2.739
  333   3HG1  VAL  47          3HG1      VAL  47   1.308   1.782   1.782
  334   1HG2  VAL  47          2HG2      VAL  47   4.707   0.527   0.527
  335   2HG2  VAL  47          1HG2      VAL  47   5.025   0.656   0.656
  336   3HG2  VAL  47          3HG2      VAL  47   4.489   2.071   2.071
  337    H    ASP  48           H        ASP  48   0.825  -2.123  -2.123
  338    HA   ASP  48           HA       ASP  48  -1.611  -0.567  -0.567
  339   1HB   ASP  48          2HB       ASP  48  -0.611  -3.185  -3.185
  340   2HB   ASP  48          1HB       ASP  48  -2.156  -3.323  -3.323
  341    H    ILE  49           H        ILE  49  -0.094  -2.772  -2.772
  342    HA   ILE  49           HA       ILE  49  -2.304  -2.900  -2.900
  343    HB   ILE  49           HB       ILE  49   0.671  -3.136  -3.136
  344   1HG1  ILE  49          2HG1      ILE  49   0.162  -4.530  -4.530
  345   2HG1  ILE  49          1HG1      ILE  49   0.366  -5.560  -5.560
  346   1HG2  ILE  49          3HG2      ILE  49  -1.746  -3.594  -3.594
  347   2HG2  ILE  49          2HG2      ILE  49  -0.806  -5.080  -5.080
  348   3HG2  ILE  49          1HG2      ILE  49  -0.067  -3.630  -3.630
  349   1HD1  ILE  49          2HD1      ILE  49  -2.334  -4.569  -4.569
  350   2HD1  ILE  49          1HD1      ILE  49  -1.646  -6.117  -6.117
  351   3HD1  ILE  49          3HD1      ILE  49  -2.001  -5.815  -5.815
  352    H    LEU  50           H        LEU  50   0.644  -0.995  -0.995
  353    HA   LEU  50           HA       LEU  50   0.250   0.667   0.667
  354   1HB   LEU  50          2HB       LEU  50   1.678   1.422   1.422
  355   2HB   LEU  50          1HB       LEU  50   2.115   1.858   1.858
  356    HG   LEU  50           HG       LEU  50   2.485  -0.761  -0.761
  357   1HD1  LEU  50          3HD1      LEU  50   4.205   1.211   1.211
  358   2HD1  LEU  50          2HD1      LEU  50   4.355   0.462   0.462
  359   3HD1  LEU  50          1HD1      LEU  50   4.719  -0.471  -0.471
  360   1HD2  LEU  50          2HD2      LEU  50   1.709  -0.384  -0.384
  361   2HD2  LEU  50          1HD2      LEU  50   1.713  -1.851  -1.851
  362   3HD2  LEU  50          3HD2      LEU  50   3.198  -1.301  -1.301
  363    H    GLY  51           H        GLY  51  -1.143   0.607   0.607
  364   1HA   GLY  51          2HA       GLY  51  -2.034   3.415   3.415
  365   2HA   GLY  51          1HA       GLY  51  -2.423   2.252   2.252
  366    H    ARG  52           H        ARG  52  -3.233   0.196   0.196
  367    HA   ARG  52           HA       ARG  52  -5.977   1.192   1.192
  368   1HB   ARG  52          2HB       ARG  52  -5.024  -1.094  -1.094
  369   2HB   ARG  52          1HB       ARG  52  -5.093  -1.578  -1.578
  370   1HG   ARG  52          2HG       ARG  52  -7.487  -0.517  -0.517
  371   2HG   ARG  52          1HG       ARG  52  -7.331  -0.741  -0.741
  372   1HD   ARG  52          2HD       ARG  52  -7.066  -2.909  -2.909
  373   2HD   ARG  52          1HD       ARG  52  -8.392  -2.724  -2.724
  374    HE   ARG  52           HE       ARG  52  -5.667  -3.651  -3.651
  375   1HH1  ARG  52          1HH2      ARG  52  -8.474  -4.595  -4.595
  376   2HH1  ARG  52          2HH2      ARG  52  -8.372  -4.156  -4.156
  377   1HH2  ARG  52          2HH1      ARG  52  -5.598  -2.120  -2.120
  378   2HH2  ARG  52          1HH1      ARG  52  -6.742  -2.753  -2.753
  379    H    VAL  53           H        VAL  53  -3.496  -0.627  -0.627
  380    HA   VAL  53           HA       VAL  53  -4.675  -0.504  -0.504
  381    HB   VAL  53           HB       VAL  53  -1.804  -0.366  -0.366
  382   1HG1  VAL  53          3HG1      VAL  53  -2.703   0.362   0.362
  383   2HG1  VAL  53          2HG1      VAL  53  -2.125  -1.294  -1.294
  384   3HG1  VAL  53          1HG1      VAL  53  -1.053  -0.043  -0.043
  385   1HG2  VAL  53          1HG2      VAL  53  -3.578  -2.402  -2.402
  386   2HG2  VAL  53          3HG2      VAL  53  -1.854  -2.660  -2.660
  387   3HG2  VAL  53          2HG2      VAL  53  -2.962  -2.656  -2.656
  388    H    TRP  54           H        TRP  54  -2.797   1.997   1.997
  389    HA   TRP  54           HA       TRP  54  -2.693   3.884   3.884
  390   1HB   TRP  54          2HB       TRP  54  -1.259   4.146   4.146
  391   2HB   TRP  54          1HB       TRP  54  -2.636   4.120   4.120
  392    HD1  TRP  54           HD1      TRP  54  -4.377   6.222   6.222
  393    HE1  TRP  54           HE1      TRP  54  -3.914   8.691   8.691
  394    HE3  TRP  54           HE3      TRP  54   0.212   5.757   5.757
  395    HZ2  TRP  54           HZ2      TRP  54  -1.857  10.261  10.261
  396    HZ3  TRP  54           HZ3      TRP  54   1.400   7.749   7.749
  397    HH2  TRP  54           HH2      TRP  54   0.373   9.998   9.998
  398    H    GLU  55           H        GLU  55  -4.833   3.785   3.785
  399    HA   GLU  55           HA       GLU  55  -6.601   5.831   5.831
  400   1HB   GLU  55          2HB       GLU  55  -7.043   3.049   3.049
  401   2HB   GLU  55          1HB       GLU  55  -8.292   4.294   4.294
  402   1HG   GLU  55          2HG       GLU  55  -5.516   4.669   4.669
  403   2HG   GLU  55          1HG       GLU  55  -6.913   4.163   4.163
  404    H    LEU  56           H        LEU  56  -7.027   2.451   2.451
  405    HA   LEU  56           HA       LEU  56  -9.199   3.132   3.132
  406   1HB   LEU  56          2HB       LEU  56  -7.323   0.753   0.753
  407   2HB   LEU  56          1HB       LEU  56  -8.796   0.790   0.790
  408    HG   LEU  56           HG       LEU  56  -9.102   1.592   1.592
  409   1HD1  LEU  56          1HD1      LEU  56  -7.593  -0.691  -0.691
  410   2HD1  LEU  56          3HD1      LEU  56  -9.218  -1.306  -1.306
  411   3HD1  LEU  56          2HD1      LEU  56  -8.406  -0.323  -0.323
  412   1HD2  LEU  56          3HD2      LEU  56 -10.622   0.143   0.143
  413   2HD2  LEU  56          2HD2      LEU  56 -11.156   1.445   1.445
  414   3HD2  LEU  56          1HD2      LEU  56 -11.038  -0.202  -0.202
  415    H    SER  57           H        SER  57  -5.847   3.600   3.600
  416    HA   SER  57           HA       SER  57  -5.736   3.501   3.501
  417   1HB   SER  57          2HB       SER  57  -3.772   3.828   3.828
  418   2HB   SER  57          1HB       SER  57  -3.298   4.120   4.120
  419    HG   SER  57           HG       SER  57  -4.637   1.763   1.763
  420    H    ASP  58           H        ASP  58  -5.504   5.797   5.797
  421    HA   ASP  58           HA       ASP  58  -4.964   8.097   8.097
  422   1HB   ASP  58          2HB       ASP  58  -4.476   7.576   7.576
  423   2HB   ASP  58          1HB       ASP  58  -6.094   8.241   8.241
  424    H    ILE  59           H        ILE  59  -6.913   7.400   7.400
  425    HA   ILE  59           HA       ILE  59  -9.582   7.392   7.392
  426    HB   ILE  59           HB       ILE  59  -8.170   8.969   8.969
  427   1HG1  ILE  59          2HG1      ILE  59  -7.556   6.564   6.564
  428   2HG1  ILE  59          1HG1      ILE  59  -8.501   6.933   6.933
  429   1HG2  ILE  59          1HG2      ILE  59 -10.574   9.564   9.564
  430   2HG2  ILE  59          3HG2      ILE  59 -10.993   7.868   7.868
  431   3HG2  ILE  59          2HG2      ILE  59 -10.253   8.791   8.791
  432   1HD1  ILE  59          3HD1      ILE  59 -10.543   6.288   6.288
  433   2HD1  ILE  59          2HD1      ILE  59  -9.317   5.425   5.425
  434   3HD1  ILE  59          1HD1      ILE  59  -9.584   5.023   5.023
  435    H    ASP  60           H        ASP  60  -7.474  10.214  10.214
  436    HA   ASP  60           HA       ASP  60  -9.769  11.994  11.994
  437   1HB   ASP  60          2HB       ASP  60  -8.447  13.035  13.035
  438   2HB   ASP  60          1HB       ASP  60  -6.996  12.184  12.184
  439    H    HIS  61           H        HIS  61  -7.053  10.415  10.415
  440    HA   HIS  61           HA       HIS  61  -6.377  10.366  10.366
  441   1HB   HIS  61          2HB       HIS  61  -9.205  11.444  11.444
  442   2HB   HIS  61          1HB       HIS  61  -8.261  10.904  10.904
  443    HD1  HIS  61           HD1      HIS  61  -7.812   8.358   8.358
  444    HD2  HIS  61           HD2      HIS  61 -10.146   9.360   9.360
  445    HE1  HIS  61           HE1      HIS  61  -8.802   6.195   6.195
  446    H    ASP  62           H        ASP  62  -5.380  12.571  12.571
  447    HA   ASP  62           HA       ASP  62  -5.833  14.852  14.852
  448   1HB   ASP  62          2HB       ASP  62  -5.291  16.258  16.258
  449   2HB   ASP  62          1HB       ASP  62  -6.297  14.978  14.978
  450    H    GLY  63           H        GLY  63  -3.726  12.354  12.354
  451   1HA   GLY  63          2HA       GLY  63  -1.737  12.279  12.279
  452   2HA   GLY  63          1HA       GLY  63  -1.439  13.963  13.963
  453    H    MET  64           H        MET  64  -2.489  12.438  12.438
  454    HA   MET  64           HA       MET  64   0.184  11.371  11.371
  455   1HB   MET  64          2HB       MET  64  -1.059  13.398  13.398
  456   2HB   MET  64          1HB       MET  64   0.640  12.979  12.979
  457   1HG   MET  64          2HG       MET  64   0.459  14.011  14.011
  458   2HG   MET  64          1HG       MET  64  -1.091  14.665  14.665
  459   1HE   MET  64          2HE       MET  64   2.355  13.927  13.927
  460   2HE   MET  64          1HE       MET  64   3.052  15.387  15.387
  461   3HE   MET  64          3HE       MET  64   2.024  14.336  14.336
  462    H    LEU  65           H        LEU  65   0.131  10.227  10.227
  463    HA   LEU  65           HA       LEU  65  -2.618   9.243   9.243
  464   1HB   LEU  65          2HB       LEU  65   0.161   8.040   8.040
  465   2HB   LEU  65          1HB       LEU  65  -1.215   7.272   7.272
  466    HG   LEU  65           HG       LEU  65  -1.173   8.021   8.021
  467   1HD1  LEU  65          3HD1      LEU  65   0.468   6.163   6.163
  468   2HD1  LEU  65          2HD1      LEU  65  -1.003   5.192   5.192
  469   3HD1  LEU  65          1HD1      LEU  65  -0.365   5.921   5.921
  470   1HD2  LEU  65          1HD2      LEU  65  -3.357   7.658   7.658
  471   2HD2  LEU  65          3HD2      LEU  65  -3.220   6.897   6.897
  472   3HD2  LEU  65          2HD2      LEU  65  -2.920   5.955   5.955
  473    H    ASP  66           H        ASP  66  -3.307  10.180  10.180
  474    HA   ASP  66           HA       ASP  66  -1.493  11.380  11.380
  475   1HB   ASP  66          2HB       ASP  66  -4.065  11.687  11.687
  476   2HB   ASP  66          1HB       ASP  66  -4.241  10.439  10.439
  477    H    ARG  67           H        ARG  67  -1.316  10.626  10.626
  478    HA   ARG  67           HA       ARG  67  -0.087   8.238   8.238
  479   1HB   ARG  67          2HB       ARG  67  -0.761   8.528   8.528
  480   2HB   ARG  67          1HB       ARG  67  -0.566  10.126  10.126
  481   1HG   ARG  67          2HG       ARG  67  -3.028  10.149  10.149
  482   2HG   ARG  67          1HG       ARG  67  -3.170   8.637   8.637
  483   1HD   ARG  67          2HD       ARG  67  -1.706  10.337  10.337
  484   2HD   ARG  67          1HD       ARG  67  -3.016  11.339  11.339
  485    HE   ARG  67           HE       ARG  67  -4.161   8.839   8.839
  486   1HH1  ARG  67          1HH2      ARG  67  -3.528  11.887  11.887
  487   2HH1  ARG  67          2HH2      ARG  67  -3.938  11.464  11.464
  488   1HH2  ARG  67          2HH1      ARG  67  -4.289   8.081   8.081
  489   2HH2  ARG  67          1HH1      ARG  67  -4.370   9.309   9.309
  490    H    ASP  68           H        ASP  68  -3.626   8.657   8.657
  491    HA   ASP  68           HA       ASP  68  -4.087   5.808   5.808
  492   1HB   ASP  68          2HB       ASP  68  -5.528   8.346   8.346
  493   2HB   ASP  68          1HB       ASP  68  -6.474   7.038   7.038
  494    H    GLU  69           H        GLU  69  -4.199   7.972   7.972
  495    HA   GLU  69           HA       GLU  69  -5.529   6.123   6.123
  496   1HB   GLU  69          2HB       GLU  69  -3.576   8.351   8.351
  497   2HB   GLU  69          1HB       GLU  69  -4.853   7.728   7.728
  498   1HG   GLU  69          2HG       GLU  69  -6.502   8.425   8.425
  499   2HG   GLU  69          1HG       GLU  69  -5.166   9.286   9.286
  500    H    PHE  70           H        PHE  70  -2.127   6.913   6.913
  501    HA   PHE  70           HA       PHE  70  -0.969   5.163   5.163
  502   1HB   PHE  70          2HB       PHE  70   0.117   7.058   7.058
  503   2HB   PHE  70          1HB       PHE  70   0.087   6.059   6.059
  504    HD1  PHE  70           HD2      PHE  70   1.444   4.005   4.005
  505    HD2  PHE  70           HD1      PHE  70   1.660   6.603   6.603
  506    HE1  PHE  70           HE2      PHE  70   3.545   2.897   2.897
  507    HE2  PHE  70           HE1      PHE  70   3.763   5.494   5.494
  508    HZ   PHE  70           HZ       PHE  70   4.700   3.645   3.645
  509    H    ALA  71           H        ALA  71  -2.248   4.683   4.683
  510    HA   ALA  71           HA       ALA  71  -1.087   2.146   2.146
  511   1HB   ALA  71          2HB       ALA  71  -2.384   3.736   3.736
  512   2HB   ALA  71          1HB       ALA  71  -3.853   3.195   3.195
  513   3HB   ALA  71          3HB       ALA  71  -2.900   2.055   2.055
  514    H    VAL  72           H        VAL  72  -4.181   2.965   2.965
  515    HA   VAL  72           HA       VAL  72  -5.111   0.328   0.328
  516    HB   VAL  72           HB       VAL  72  -5.465   2.956   2.956
  517   1HG1  VAL  72          2HG1      VAL  72  -6.519   0.263   0.263
  518   2HG1  VAL  72          1HG1      VAL  72  -7.767   1.502   1.502
  519   3HG1  VAL  72          3HG1      VAL  72  -6.471   1.681   1.681
  520   1HG2  VAL  72          3HG2      VAL  72  -6.132   2.828   2.828
  521   2HG2  VAL  72          2HG2      VAL  72  -7.466   3.201   3.201
  522   3HG2  VAL  72          1HG2      VAL  72  -7.288   1.570   1.570
  523    H    ALA  73           H        ALA  73  -2.659   2.219   2.219
  524    HA   ALA  73           HA       ALA  73  -2.666   0.555   0.555
  525   1HB   ALA  73          2HB       ALA  73  -1.961   3.125   3.125
  526   2HB   ALA  73          1HB       ALA  73  -0.388   2.328   2.328
  527   3HB   ALA  73          3HB       ALA  73  -1.499   2.321   2.321
  528    H    MET  74           H        MET  74  -1.266   0.234   0.234
  529    HA   MET  74           HA       MET  74   1.160  -1.130  -1.130
  530   1HB   MET  74          2HB       MET  74   0.221  -1.010  -1.010
  531   2HB   MET  74          1HB       MET  74   1.872  -1.080  -1.080
  532   1HG   MET  74          2HG       MET  74  -0.005   1.260   1.260
  533   2HG   MET  74          1HG       MET  74   1.676   1.165   1.165
  534   1HE   MET  74          3HE       MET  74   3.225   0.057   0.057
  535   2HE   MET  74          2HE       MET  74   2.806  -0.234  -0.234
  536   3HE   MET  74          1HE       MET  74   3.796   1.159   1.159
  537    H    PHE  75           H        PHE  75  -1.860  -1.993  -1.993
  538    HA   PHE  75           HA       PHE  75  -1.123  -4.825  -4.825
  539   1HB   PHE  75          2HB       PHE  75  -3.083  -5.057  -5.057
  540   2HB   PHE  75          1HB       PHE  75  -2.724  -3.356  -3.356
  541    HD1  PHE  75           HD1      PHE  75  -4.851  -5.727  -5.727
  542    HD2  PHE  75           HD2      PHE  75  -4.051  -1.607  -1.607
  543    HE1  PHE  75           HE1      PHE  75  -7.026  -5.086  -5.086
  544    HE2  PHE  75           HE2      PHE  75  -6.213  -0.970  -0.970
  545    HZ   PHE  75           HZ       PHE  75  -7.711  -2.702  -2.702
  546    H    LEU  76           H        LEU  76  -2.526  -2.623  -2.623
  547    HA   LEU  76           HA       LEU  76  -3.926  -4.616  -4.616
  548   1HB   LEU  76          2HB       LEU  76  -3.394  -1.697  -1.697
  549   2HB   LEU  76          1HB       LEU  76  -3.685  -2.397  -2.397
  550    HG   LEU  76           HG       LEU  76  -5.499  -2.696  -2.696
  551   1HD1  LEU  76          2HD1      LEU  76  -5.591  -0.982  -0.982
  552   2HD1  LEU  76          1HD1      LEU  76  -7.064  -1.416  -1.416
  553   3HD1  LEU  76          3HD1      LEU  76  -5.802  -0.492  -0.492
  554   1HD2  LEU  76          3HD2      LEU  76  -5.335  -4.021  -4.021
  555   2HD2  LEU  76          2HD2      LEU  76  -6.059  -4.597  -4.597
  556   3HD2  LEU  76          1HD2      LEU  76  -6.942  -3.472  -3.472
  557    H    VAL  77           H        VAL  77  -0.733  -3.265  -3.265
  558    HA   VAL  77           HA       VAL  77   0.102  -4.245  -4.245
  559    HB   VAL  77           HB       VAL  77   1.460  -2.776  -2.776
  560   1HG1  VAL  77          3HG1      VAL  77   3.059  -4.170  -4.170
  561   2HG1  VAL  77          2HG1      VAL  77   2.519  -3.338  -3.338
  562   3HG1  VAL  77          1HG1      VAL  77   3.343  -2.439  -2.439
  563   1HG2  VAL  77          2HG2      VAL  77  -0.341  -1.624  -1.624
  564   2HG2  VAL  77          1HG2      VAL  77   1.230  -0.828  -0.828
  565   3HG2  VAL  77          3HG2      VAL  77   0.765  -1.779  -1.779
  566    H    TYR  78           H        TYR  78   0.467  -5.059  -5.059
  567    HA   TYR  78           HA       TYR  78   2.498  -7.099  -7.099
  568   1HB   TYR  78          2HB       TYR  78   1.032  -5.884  -5.884
  569   2HB   TYR  78          1HB       TYR  78   1.500  -7.570  -7.570
  570    HD1  TYR  78           HD2      TYR  78   3.969  -7.895  -7.895
  571    HD2  TYR  78           HD1      TYR  78   2.585  -4.493  -4.493
  572    HE1  TYR  78           HE2      TYR  78   6.318  -7.187  -7.187
  573    HE2  TYR  78           HE1      TYR  78   4.931  -3.785  -3.785
  574    HH   TYR  78           HH       TYR  78   7.200  -4.184  -4.184
  575    H    CYS  79           H        CYS  79  -0.989  -6.966  -6.966
  576    HA   CYS  79           HA       CYS  79  -1.289  -9.895  -9.895
  577   1HB   CYS  79          2HB       CYS  79  -3.146  -7.534  -7.534
  578   2HB   CYS  79          1HB       CYS  79  -3.723  -9.200  -9.200
  579    HG   CYS  79           HG       CYS  79  -3.818  -8.554  -8.554
  580    H    ALA  80           H        ALA  80  -0.732  -7.587  -7.587
  581    HA   ALA  80           HA       ALA  80  -2.097  -8.999  -8.999
  582   1HB   ALA  80          3HB       ALA  80  -0.354  -6.643  -6.643
  583   2HB   ALA  80          2HB       ALA  80  -0.203  -7.407  -7.407
  584   3HB   ALA  80          1HB       ALA  80  -1.772  -6.814  -6.814
  585    H    LEU  81           H        LEU  81   0.863  -9.280  -9.280
  586    HA   LEU  81           HA       LEU  81   2.226 -10.805 -10.805
  587   1HB   LEU  81          2HB       LEU  81   2.979 -10.055 -10.055
  588   2HB   LEU  81          1HB       LEU  81   4.073 -10.757 -10.757
  589    HG   LEU  81           HG       LEU  81   2.646  -8.402  -8.402
  590   1HD1  LEU  81          2HD1      LEU  81   3.066  -7.991  -7.991
  591   2HD1  LEU  81          1HD1      LEU  81   4.762  -7.871  -7.871
  592   3HD1  LEU  81          3HD1      LEU  81   3.579  -6.755  -6.755
  593   1HD2  LEU  81          2HD2      LEU  81   5.036  -9.838  -9.838
  594   2HD2  LEU  81          1HD2      LEU  81   4.501  -8.391  -8.391
  595   3HD2  LEU  81          3HD2      LEU  81   5.532  -8.244  -8.244
  596    H    GLU  82           H        GLU  82   1.148 -11.350 -11.350
  597    HA   GLU  82           HA       GLU  82   1.466 -14.277 -14.277
  598   1HB   GLU  82          2HB       GLU  82   2.747 -13.577 -13.577
  599   2HB   GLU  82          1HB       GLU  82   1.529 -12.417 -12.417
  600   1HG   GLU  82          2HG       GLU  82   1.517 -14.297 -14.297
  601   2HG   GLU  82          1HG       GLU  82   0.030 -14.340 -14.340
  602    H    LYS  83           H        LYS  83  -0.960 -11.856 -11.856
  603    HA   LYS  83           HA       LYS  83  -2.912 -13.944 -13.944
  604   1HB   LYS  83          2HB       LYS  83  -2.949 -10.926 -10.926
  605   2HB   LYS  83          1HB       LYS  83  -4.362 -11.872 -11.872
  606   1HG   LYS  83          2HG       LYS  83  -2.215 -12.891 -12.891
  607   2HG   LYS  83          1HG       LYS  83  -2.082 -11.135 -11.135
  608   1HD   LYS  83          2HD       LYS  83  -4.445 -10.979 -10.979
  609   2HD   LYS  83          1HD       LYS  83  -4.593 -12.734 -12.734
  610   1HE   LYS  83          2HE       LYS  83  -3.679 -12.992 -12.992
  611   2HE   LYS  83          1HE       LYS  83  -2.312 -11.939 -11.939
  612   1HZ   LYS  83          2HZ       LYS  83  -4.161 -10.114 -10.114
  613   2HZ   LYS  83          1HZ       LYS  83  -4.930 -11.225 -11.225
  614   3HZ   LYS  83          3HZ       LYS  83  -3.394 -10.627 -10.627
  615    H    GLU  84           H        GLU  84  -3.795 -11.157 -11.157
  616    HA   GLU  84           HA       GLU  84  -4.255 -12.837 -12.837
  617   1HB   GLU  84          2HB       GLU  84  -6.239 -12.274 -12.274
  618   2HB   GLU  84          1HB       GLU  84  -6.750 -11.634 -11.634
  619   1HG   GLU  84          2HG       GLU  84  -7.139 -13.699 -13.699
  620   2HG   GLU  84          1HG       GLU  84  -5.567 -14.281 -14.281
  621    HA   PRO  85           HA       PRO  85  -4.031  -9.070  -9.070
  622   1HB   PRO  85          2HB       PRO  85  -6.280  -8.972  -8.972
  623   2HB   PRO  85          1HB       PRO  85  -4.914 -10.060 -10.060
  624   1HG   PRO  85          2HG       PRO  85  -7.507 -10.637 -10.637
  625   2HG   PRO  85          1HG       PRO  85  -6.626 -11.604 -11.604
  626   1HD   PRO  85          2HD       PRO  85  -6.540 -12.176 -12.176
  627   2HD   PRO  85          1HD       PRO  85  -5.134 -12.426 -12.426
  628    H    VAL  86           H        VAL  86  -5.215  -6.911  -6.911
  629    HA   VAL  86           HA       VAL  86  -6.984  -6.280  -6.280
  630    HB   VAL  86           HB       VAL  86  -4.968  -4.615  -4.615
  631   1HG1  VAL  86          1HG1      VAL  86  -6.956  -3.384  -3.384
  632   2HG1  VAL  86          3HG1      VAL  86  -6.393  -3.925  -3.925
  633   3HG1  VAL  86          2HG1      VAL  86  -5.377  -2.871  -2.871
  634   1HG2  VAL  86          3HG2      VAL  86  -4.286  -6.553  -6.553
  635   2HG2  VAL  86          2HG2      VAL  86  -3.458  -4.996  -4.996
  636   3HG2  VAL  86          1HG2      VAL  86  -4.727  -5.364  -5.364
  637    HA   PRO  87           HA       PRO  87  -9.815  -5.141  -5.141
  638   1HB   PRO  87          2HB       PRO  87 -11.917  -4.522  -4.522
  639   2HB   PRO  87          1HB       PRO  87 -11.462  -6.192  -6.192
  640   1HG   PRO  87          2HG       PRO  87 -11.025  -4.648  -4.648
  641   2HG   PRO  87          1HG       PRO  87 -11.236  -6.388  -6.388
  642   1HD   PRO  87          2HD       PRO  87  -8.813  -5.059  -5.059
  643   2HD   PRO  87          1HD       PRO  87  -9.006  -6.731  -6.731
  644    H    MET  88           H        MET  88 -11.518  -3.069  -3.069
  645    HA   MET  88           HA       MET  88  -9.829  -0.717  -0.717
  646   1HB   MET  88          2HB       MET  88 -11.999  -0.765  -0.765
  647   2HB   MET  88          1HB       MET  88 -10.647   0.353   0.353
  648   1HG   MET  88          2HG       MET  88  -9.071  -1.375  -1.375
  649   2HG   MET  88          1HG       MET  88 -10.335  -2.604  -2.604
  650   1HE   MET  88          3HE       MET  88 -12.487  -2.301  -2.301
  651   2HE   MET  88          2HE       MET  88 -12.800  -0.609  -0.609
  652   3HE   MET  88          1HE       MET  88 -12.672  -1.785  -1.785
  653    H    SER  89           H        SER  89 -12.159  -2.239  -2.239
  654    HA   SER  89           HA       SER  89 -14.000   0.102   0.102
  655   1HB   SER  89          2HB       SER  89 -14.336  -2.827  -2.827
  656   2HB   SER  89          1HB       SER  89 -15.578  -1.604  -1.604
  657    HG   SER  89           HG       SER  89 -15.744  -1.334  -1.334
  658    H    LEU  90           H        LEU  90 -13.206   1.326   1.326
  659    HA   LEU  90           HA       LEU  90 -11.842   0.450   0.450
  660   1HB   LEU  90          2HB       LEU  90 -13.103   2.852   2.852
  661   2HB   LEU  90          1HB       LEU  90 -13.259   2.765   2.765
  662    HG   LEU  90           HG       LEU  90 -10.641   2.304   2.304
  663   1HD1  LEU  90          2HD1      LEU  90 -11.938   4.691   4.691
  664   2HD1  LEU  90          1HD1      LEU  90 -11.098   4.842   4.842
  665   3HD1  LEU  90          3HD1      LEU  90 -10.183   4.546   4.546
  666   1HD2  LEU  90          1HD2      LEU  90 -11.601   2.351   2.351
  667   2HD2  LEU  90          3HD2      LEU  90 -10.186   1.558   1.558
  668   3HD2  LEU  90          2HD2      LEU  90 -10.123   3.272   3.272
  669    HA   PRO  91           HA       PRO  91 -15.520  -1.501  -1.501
  670   1HB   PRO  91          2HB       PRO  91 -14.169  -2.768  -2.768
  671   2HB   PRO  91          1HB       PRO  91 -14.246  -3.396  -3.396
  672   1HG   PRO  91          2HG       PRO  91 -12.068  -1.860  -1.860
  673   2HG   PRO  91          1HG       PRO  91 -11.960  -3.252  -3.252
  674   1HD   PRO  91          2HD       PRO  91 -11.504  -0.717  -0.717
  675   2HD   PRO  91          1HD       PRO  91 -12.204  -1.961  -1.961
  676    HA   PRO  92           HA       PRO  92 -16.210   1.577   1.577
  677   1HB   PRO  92          2HB       PRO  92 -18.444   0.480   0.480
  678   2HB   PRO  92          1HB       PRO  92 -18.462   1.313   1.313
  679   1HG   PRO  92          2HG       PRO  92 -18.410  -1.604  -1.604
  680   2HG   PRO  92          1HG       PRO  92 -19.301  -0.724  -0.724
  681   1HD   PRO  92          2HD       PRO  92 -17.019  -2.107  -2.107
  682   2HD   PRO  92          1HD       PRO  92 -17.503  -0.665  -0.665
  683    H    ALA  93           H        ALA  93 -15.255  -1.583  -1.583
  684    HA   ALA  93           HA       ALA  93 -15.395  -1.438  -1.438
  685   1HB   ALA  93          2HB       ALA  93 -15.487  -3.449  -3.449
  686   2HB   ALA  93          1HB       ALA  93 -13.892  -3.633  -3.633
  687   3HB   ALA  93          3HB       ALA  93 -15.341  -3.702  -3.702
  688    H    LEU  94           H        LEU  94 -13.518  -0.010  -0.010
  689    HA   LEU  94           HA       LEU  94 -11.001  -0.357  -0.357
  690   1HB   LEU  94          2HB       LEU  94 -10.516  -1.425  -1.425
  691   2HB   LEU  94          1HB       LEU  94 -11.679  -0.468  -0.468
  692    HG   LEU  94           HG       LEU  94  -9.396   1.054   1.054
  693   1HD1  LEU  94          3HD1      LEU  94  -8.792  -1.402  -1.402
  694   2HD1  LEU  94          2HD1      LEU  94  -8.687  -0.318  -0.318
  695   3HD1  LEU  94          1HD1      LEU  94  -7.711  -0.010  -0.010
  696   1HD2  LEU  94          1HD2      LEU  94 -11.383   1.205   1.205
  697   2HD2  LEU  94          3HD2      LEU  94 -10.212   2.440   2.440
  698   3HD2  LEU  94          2HD2      LEU  94  -9.794   1.256   1.256
  699    H    VAL  95           H        VAL  95 -13.408   1.772   1.772
  700    HA   VAL  95           HA       VAL  95 -11.723   4.156   4.156
  701    HB   VAL  95           HB       VAL  95 -14.723   3.788   3.788
  702   1HG1  VAL  95          1HG1      VAL  95 -12.964   6.091   6.091
  703   2HG1  VAL  95          3HG1      VAL  95 -14.672   5.992   5.992
  704   3HG1  VAL  95          2HG1      VAL  95 -14.194   6.087   6.087
  705   1HG2  VAL  95          1HG2      VAL  95 -13.046   2.839   2.839
  706   2HG2  VAL  95          3HG2      VAL  95 -14.766   3.176   3.176
  707   3HG2  VAL  95          2HG2      VAL  95 -13.573   4.397   4.397
  708    HA   PRO  96           HA       PRO  96 -11.711   4.605   4.605
  709   1HB   PRO  96          2HB       PRO  96  -9.962   6.720   6.720
  710   2HB   PRO  96          1HB       PRO  96  -9.438   5.031   5.031
  711   1HG   PRO  96          2HG       PRO  96  -9.805   7.098   7.098
  712   2HG   PRO  96          1HG       PRO  96  -8.527   5.885   5.885
  713   1HD   PRO  96          2HD       PRO  96 -10.587   5.589   5.589
  714   2HD   PRO  96          1HD       PRO  96  -9.792   4.211   4.211
  715    HA   PRO  97           HA       PRO  97 -14.432   7.998   7.998
  716   1HB   PRO  97          2HB       PRO  97 -13.401   9.348   9.348
  717   2HB   PRO  97          1HB       PRO  97 -14.202   7.768   7.768
  718   1HG   PRO  97          2HG       PRO  97 -11.291   8.412   8.412
  719   2HG   PRO  97          1HG       PRO  97 -12.162   7.242   7.242
  720   1HD   PRO  97          2HD       PRO  97 -10.755   6.509   6.509
  721   2HD   PRO  97          1HD       PRO  97 -12.218   5.650   5.650
  722    H    SER  98           H        SER  98 -14.267  10.592  10.592
  723    HA   SER  98           HA       SER  98 -13.477  12.710  12.710
  724   1HB   SER  98          2HB       SER  98 -11.202  12.880  12.880
  725   2HB   SER  98          1HB       SER  98 -11.219  11.178  11.178
  726    HG   SER  98           HG       SER  98 -11.188  12.284  12.284
  727    H    LYS  99           H        LYS  99 -12.809  10.153  10.153
  728    HA   LYS  99           HA       LYS  99 -13.712  11.924  11.924
  729   1HB   LYS  99          2HB       LYS  99 -11.756  10.360  10.360
  730   2HB   LYS  99          1HB       LYS  99 -12.863   9.005   9.005
  731   1HG   LYS  99          2HG       LYS  99 -13.891  10.725  10.725
  732   2HG   LYS  99          1HG       LYS  99 -12.211  10.331  10.331
  733   1HD   LYS  99          2HD       LYS  99 -12.642   7.983   7.983
  734   2HD   LYS  99          1HD       LYS  99 -14.227   8.226   8.226
  735   1HE   LYS  99          2HE       LYS  99 -13.811   9.600   9.600
  736   2HE   LYS  99          1HE       LYS  99 -13.906   7.829   7.829
  737   1HZ   LYS  99          1HZ       LYS  99 -15.831   8.267   8.267
  738   2HZ   LYS  99          3HZ       LYS  99 -15.907   9.762   9.762
  739   3HZ   LYS  99          2HZ       LYS  99 -16.119   8.321   8.321
  740    H    ARG 100           H        ARG 100 -15.354  10.509  10.509
  741    HA   ARG 100           HA       ARG 100 -17.679   9.889   9.889
  742   1HB   ARG 100          2HB       ARG 100 -17.967   7.699   7.699
  743   2HB   ARG 100          1HB       ARG 100 -16.401   7.789   7.789
  744   1HG   ARG 100          2HG       ARG 100 -15.304   7.518   7.518
  745   2HG   ARG 100          1HG       ARG 100 -16.221   8.822   8.822
  746   1HD   ARG 100          2HD       ARG 100 -16.522   6.524   6.524
  747   2HD   ARG 100          1HD       ARG 100 -18.031   7.307   7.307
  748    HE   ARG 100           HE       ARG 100 -16.940   5.773   5.773
  749   1HH1  ARG 100          1HH2      ARG 100 -17.593   4.799   4.799
  750   2HH1  ARG 100          2HH2      ARG 100 -18.789   3.621   3.621
  751   1HH2  ARG 100          2HH1      ARG 100 -18.899   4.546   4.546
  752   2HH2  ARG 100          1HH1      ARG 100 -19.527   3.477   3.477

  Start of MODEL   19
    1    HA   PRO   6           HA       PRO   6 -13.823  -2.912  -2.912
    2   1HB   PRO   6          2HB       PRO   6 -11.178  -2.745  -2.745
    3   2HB   PRO   6          1HB       PRO   6 -12.433  -3.302  -3.302
    4   1HG   PRO   6          2HG       PRO   6 -10.484  -4.887  -4.887
    5   2HG   PRO   6          1HG       PRO   6 -11.065  -5.145  -5.145
    6   1HD   PRO   6          2HD       PRO   6 -11.970  -6.555  -6.555
    7   2HD   PRO   6          1HD       PRO   6 -12.940  -6.258  -6.258
    8    H    TRP   7           H        TRP   7 -11.736  -1.294  -1.294
    9    HA   TRP   7           HA       TRP   7 -11.863  -0.860  -0.860
   10   1HB   TRP   7          2HB       TRP   7 -10.818   0.631   0.631
   11   2HB   TRP   7          1HB       TRP   7  -9.503  -0.522  -0.522
   12    HD1  TRP   7           HD1      TRP   7 -10.764  -0.086  -0.086
   13    HE1  TRP   7           HE1      TRP   7  -9.017   1.191   1.191
   14    HE3  TRP   7           HE3      TRP   7  -7.579   1.395   1.395
   15    HZ2  TRP   7           HZ2      TRP   7  -6.594   2.656   2.656
   16    HZ3  TRP   7           HZ3      TRP   7  -5.560   2.732   2.732
   17    HH2  TRP   7           HH2      TRP   7  -5.066   3.363   3.363
   18    H    ALA   8           H        ALA   8 -11.151  -2.015  -2.015
   19    HA   ALA   8           HA       ALA   8 -10.167  -4.579  -4.579
   20   1HB   ALA   8          3HB       ALA   8  -9.642  -2.181  -2.181
   21   2HB   ALA   8          2HB       ALA   8  -9.071  -3.791  -3.791
   22   3HB   ALA   8          1HB       ALA   8 -10.802  -3.489  -3.489
   23    H    VAL   9           H        VAL   9  -8.355  -1.672  -1.672
   24    HA   VAL   9           HA       VAL   9  -5.818  -3.252  -3.252
   25    HB   VAL   9           HB       VAL   9  -6.561  -0.333  -0.333
   26   1HG1  VAL   9          2HG1      VAL   9  -4.233  -1.505  -1.505
   27   2HG1  VAL   9          1HG1      VAL   9  -3.802  -0.367  -0.367
   28   3HG1  VAL   9          3HG1      VAL   9  -4.846   0.148   0.148
   29   1HG2  VAL   9          3HG2      VAL   9  -5.180  -2.398  -2.398
   30   2HG2  VAL   9          2HG2      VAL   9  -6.204  -1.056  -1.056
   31   3HG2  VAL   9          1HG2      VAL   9  -4.519  -0.766  -0.766
   32    H    LYS  10           H        LYS  10  -5.087  -3.867  -3.867
   33    HA   LYS  10           HA       LYS  10  -6.567  -3.088  -3.088
   34   1HB   LYS  10          2HB       LYS  10  -4.719  -5.130  -5.130
   35   2HB   LYS  10          1HB       LYS  10  -4.262  -4.555  -4.555
   36   1HG   LYS  10          2HG       LYS  10  -6.013  -5.603  -5.603
   37   2HG   LYS  10          1HG       LYS  10  -7.142  -4.930  -4.930
   38   1HD   LYS  10          2HD       LYS  10  -6.791  -6.700  -6.700
   39   2HD   LYS  10          1HD       LYS  10  -5.299  -7.204  -7.204
   40   1HE   LYS  10          2HE       LYS  10  -6.869  -7.625  -7.625
   41   2HE   LYS  10          1HE       LYS  10  -8.144  -7.694  -7.694
   42   1HZ   LYS  10          2HZ       LYS  10  -5.594  -9.119  -9.119
   43   2HZ   LYS  10          1HZ       LYS  10  -6.829  -9.833  -9.833
   44   3HZ   LYS  10          3HZ       LYS  10  -7.113  -9.427  -9.427
   45    HA   PRO  11           HA       PRO  11  -3.787  -0.104  -0.104
   46   1HB   PRO  11          2HB       PRO  11  -3.103  -1.034  -1.034
   47   2HB   PRO  11          1HB       PRO  11  -4.714  -0.390  -0.390
   48   1HG   PRO  11          2HG       PRO  11  -3.805  -3.219  -3.219
   49   2HG   PRO  11          1HG       PRO  11  -5.323  -2.480  -2.480
   50   1HD   PRO  11          2HD       PRO  11  -5.100  -3.944  -3.944
   51   2HD   PRO  11          1HD       PRO  11  -6.279  -2.628  -2.628
   52    H    GLU  12           H        GLU  12  -2.618  -3.434  -3.434
   53    HA   GLU  12           HA       GLU  12   0.204  -2.643  -2.643
   54   1HB   GLU  12          2HB       GLU  12   0.532  -5.077  -5.077
   55   2HB   GLU  12          1HB       GLU  12  -0.789  -4.667  -4.667
   56   1HG   GLU  12          2HG       GLU  12  -2.388  -5.597  -5.597
   57   2HG   GLU  12          1HG       GLU  12  -1.516  -5.191  -5.191
   58    H    ASP  13           H        ASP  13  -2.117  -3.284  -3.284
   59    HA   ASP  13           HA       ASP  13  -0.171  -3.923  -3.923
   60   1HB   ASP  13          2HB       ASP  13  -3.074  -3.787  -3.787
   61   2HB   ASP  13          1HB       ASP  13  -2.587  -3.203  -3.203
   62    H    LYS  14           H        LYS  14  -2.120  -1.163  -1.163
   63    HA   LYS  14           HA       LYS  14  -1.150   0.604   0.604
   64   1HB   LYS  14          2HB       LYS  14  -3.370   0.650   0.650
   65   2HB   LYS  14          1HB       LYS  14  -2.426   1.369   1.369
   66   1HG   LYS  14          2HG       LYS  14  -1.762   2.710   2.710
   67   2HG   LYS  14          1HG       LYS  14  -3.520   2.673   2.673
   68   1HD   LYS  14          2HD       LYS  14  -2.441   3.253   3.253
   69   2HD   LYS  14          1HD       LYS  14  -1.647   4.316   4.316
   70   1HE   LYS  14          2HE       LYS  14  -4.259   4.433   4.433
   71   2HE   LYS  14          1HE       LYS  14  -4.453   4.311   4.311
   72   1HZ   LYS  14          1HZ       LYS  14  -2.313   5.963   5.963
   73   2HZ   LYS  14          3HZ       LYS  14  -3.336   6.452   6.452
   74   3HZ   LYS  14          2HZ       LYS  14  -3.901   6.462   6.462
   75    H    ALA  15           H        ALA  15   0.016  -0.547  -0.547
   76    HA   ALA  15           HA       ALA  15   1.651   1.759   1.759
   77   1HB   ALA  15          3HB       ALA  15   1.444  -1.148  -1.148
   78   2HB   ALA  15          2HB       ALA  15   2.688  -0.094  -0.094
   79   3HB   ALA  15          1HB       ALA  15   0.983   0.277   0.277
   80    H    LYS  16           H        LYS  16   2.091  -1.298  -1.298
   81    HA   LYS  16           HA       LYS  16   4.950  -0.870  -0.870
   82   1HB   LYS  16          2HB       LYS  16   4.839  -3.037  -3.037
   83   2HB   LYS  16          1HB       LYS  16   3.230  -3.003  -3.003
   84   1HG   LYS  16          2HG       LYS  16   2.273  -2.371  -2.371
   85   2HG   LYS  16          1HG       LYS  16   3.879  -2.377  -2.377
   86   1HD   LYS  16          2HD       LYS  16   2.583  -4.785  -4.785
   87   2HD   LYS  16          1HD       LYS  16   2.609  -4.497  -4.497
   88   1HE   LYS  16          2HE       LYS  16   5.197  -4.488  -4.488
   89   2HE   LYS  16          1HE       LYS  16   4.475  -6.018  -6.018
   90   1HZ   LYS  16          1HZ       LYS  16   4.202  -4.882  -4.882
   91   2HZ   LYS  16          3HZ       LYS  16   5.281  -3.704  -3.704
   92   3HZ   LYS  16          2HZ       LYS  16   5.783  -5.322  -5.322
   93    H    TYR  17           H        TYR  17   1.967   0.060   0.060
   94    HA   TYR  17           HA       TYR  17   3.094   0.744   0.744
   95   1HB   TYR  17          2HB       TYR  17   0.549   1.589   1.589
   96   2HB   TYR  17          1HB       TYR  17   0.864   1.809   1.809
   97    HD1  TYR  17           HD2      TYR  17   2.475  -1.113  -1.113
   98    HD2  TYR  17           HD1      TYR  17  -1.538   0.397   0.397
   99    HE1  TYR  17           HE2      TYR  17   1.585  -3.385  -3.385
  100    HE2  TYR  17           HE1      TYR  17  -2.428  -1.871  -1.871
  101    HH   TYR  17           HH       TYR  17  -0.634  -4.631  -4.631
  102    H    ASP  18           H        ASP  18   2.442   2.291   2.291
  103    HA   ASP  18           HA       ASP  18   2.974   5.018   5.018
  104   1HB   ASP  18          2HB       ASP  18   2.866   3.470   3.470
  105   2HB   ASP  18          1HB       ASP  18   3.250   5.192   5.192
  106    H    ALA  19           H        ALA  19   5.004   2.321   2.321
  107    HA   ALA  19           HA       ALA  19   7.379   3.900   3.900
  108   1HB   ALA  19          2HB       ALA  19   6.648   1.432   1.432
  109   2HB   ALA  19          1HB       ALA  19   7.377   1.035   1.035
  110   3HB   ALA  19          3HB       ALA  19   8.351   1.786   1.786
  111    H    ILE  20           H        ILE  20   5.913   2.279   2.279
  112    HA   ILE  20           HA       ILE  20   8.112   2.804   2.804
  113    HB   ILE  20           HB       ILE  20   5.273   1.751   1.751
  114   1HG1  ILE  20          2HG1      ILE  20   7.772   0.276   0.276
  115   2HG1  ILE  20          1HG1      ILE  20   7.340   0.433   0.433
  116   1HG2  ILE  20          2HG2      ILE  20   5.933   3.012   3.012
  117   2HG2  ILE  20          1HG2      ILE  20   7.209   1.819   1.819
  118   3HG2  ILE  20          3HG2      ILE  20   5.519   1.318   1.318
  119   1HD1  ILE  20          2HD1      ILE  20   5.087  -0.504  -0.504
  120   2HD1  ILE  20          1HD1      ILE  20   5.600  -0.743  -0.743
  121   3HD1  ILE  20          3HD1      ILE  20   6.387  -1.637  -1.637
  122    H    PHE  21           H        PHE  21   5.065   4.194   4.194
  123    HA   PHE  21           HA       PHE  21   4.818   6.137   6.137
  124   1HB   PHE  21          2HB       PHE  21   2.778   5.762   5.762
  125   2HB   PHE  21          1HB       PHE  21   3.518   5.359   5.359
  126    HD1  PHE  21           HD2      PHE  21   4.576   7.338   7.338
  127    HD2  PHE  21           HD1      PHE  21   1.722   7.839   7.839
  128    HE1  PHE  21           HE2      PHE  21   4.036   9.604   9.604
  129    HE2  PHE  21           HE1      PHE  21   1.181  10.109  10.109
  130    HZ   PHE  21           HZ       PHE  21   2.345  10.989  10.989
  131    H    ASP  22           H        ASP  22   6.234   6.022   6.022
  132    HA   ASP  22           HA       ASP  22   6.986   8.870   8.870
  133   1HB   ASP  22          2HB       ASP  22   6.218   7.929   7.929
  134   2HB   ASP  22          1HB       ASP  22   7.339   6.571   6.571
  135    H    SER  23           H        SER  23   8.237   6.029   6.029
  136    HA   SER  23           HA       SER  23  11.091   6.666   6.666
  137   1HB   SER  23          2HB       SER  23  10.878   4.381   4.381
  138   2HB   SER  23          1HB       SER  23   9.413   4.479   4.479
  139    HG   SER  23           HG       SER  23  10.787   3.879   3.879
  140    H    LEU  24           H        LEU  24   8.660   7.781   7.781
  141    HA   LEU  24           HA       LEU  24  10.413   8.319   8.319
  142   1HB   LEU  24          2HB       LEU  24   7.486   8.957   8.957
  143   2HB   LEU  24          1HB       LEU  24   8.417   8.385   8.385
  144    HG   LEU  24           HG       LEU  24   7.799   6.677   6.677
  145   1HD1  LEU  24          2HD1      LEU  24   5.785   7.523   7.523
  146   2HD1  LEU  24          1HD1      LEU  24   6.413   6.497   6.497
  147   3HD1  LEU  24          3HD1      LEU  24   5.928   5.782   5.782
  148   1HD2  LEU  24          1HD2      LEU  24   9.020   6.236   6.236
  149   2HD2  LEU  24          3HD2      LEU  24   9.615   5.709   5.709
  150   3HD2  LEU  24          2HD2      LEU  24   8.227   4.907   4.907
  151    H    SER  25           H        SER  25   9.080   9.673   9.673
  152    HA   SER  25           HA       SER  25   9.419  11.859  11.859
  153   1HB   SER  25          2HB       SER  25  11.207  11.926  11.926
  154   2HB   SER  25          1HB       SER  25   9.994  12.846  12.846
  155    HG   SER  25           HG       SER  25  10.841  13.458  13.458
  156    HA   PRO  26           HA       PRO  26   5.159  12.333  12.333
  157   1HB   PRO  26          2HB       PRO  26   4.128  12.660  12.660
  158   2HB   PRO  26          1HB       PRO  26   4.427  11.066  11.066
  159   1HG   PRO  26          2HG       PRO  26   6.057  12.587  12.587
  160   2HG   PRO  26          1HG       PRO  26   5.715  10.850  10.850
  161   1HD   PRO  26          2HD       PRO  26   8.067  11.957  11.957
  162   2HD   PRO  26          1HD       PRO  26   7.396  10.463  10.463
  163    H    VAL  27           H        VAL  27   3.933  14.247  14.247
  164    HA   VAL  27           HA       VAL  27   5.288  16.690  16.690
  165    HB   VAL  27           HB       VAL  27   3.552  16.345  16.345
  166   1HG1  VAL  27          3HG1      VAL  27   4.007  18.641  18.641
  167   2HG1  VAL  27          2HG1      VAL  27   5.503  18.571  18.571
  168   3HG1  VAL  27          1HG1      VAL  27   3.947  18.570  18.570
  169   1HG2  VAL  27          2HG2      VAL  27   6.418  15.854  15.854
  170   2HG2  VAL  27          1HG2      VAL  27   5.397  15.265  15.265
  171   3HG2  VAL  27          3HG2      VAL  27   6.097  16.882  16.882
  172    H    ASN  28           H        ASN  28   4.085  17.247  17.247
  173    HA   ASN  28           HA       ASN  28   2.193  17.867  17.867
  174   1HB   ASN  28          2HB       ASN  28   1.956  19.530  19.530
  175   2HB   ASN  28          1HB       ASN  28   1.317  18.346  18.346
  176   1HD2  ASN  28          1HD2      ASN  28  -0.933  18.220  18.220
  177   2HD2  ASN  28          2HD2      ASN  28  -1.997  18.807  18.807
  178    H    GLY  29           H        GLY  29   2.526  15.038  15.038
  179   1HA   GLY  29          2HA       GLY  29   1.253  13.103  13.103
  180   2HA   GLY  29          1HA       GLY  29  -0.191  14.111  14.111
  181    H    PHE  30           H        PHE  30   2.119  13.985  13.985
  182    HA   PHE  30           HA       PHE  30   0.173  12.468  12.468
  183   1HB   PHE  30          2HB       PHE  30   1.061  15.329  15.329
  184   2HB   PHE  30          1HB       PHE  30   0.260  14.363  14.363
  185    HD1  PHE  30           HD2      PHE  30  -2.041  13.526  13.526
  186    HD2  PHE  30           HD1      PHE  30  -0.139  16.189  16.189
  187    HE1  PHE  30           HE2      PHE  30  -4.253  14.053  14.053
  188    HE2  PHE  30           HE1      PHE  30  -2.332  16.710  16.710
  189    HZ   PHE  30           HZ       PHE  30  -4.396  15.647  15.647
  190    H    LEU  31           H        LEU  31   1.088  11.839  11.839
  191    HA   LEU  31           HA       LEU  31   4.047  12.192  12.192
  192   1HB   LEU  31          2HB       LEU  31   2.447   9.624   9.624
  193   2HB   LEU  31          1HB       LEU  31   4.076   9.729   9.729
  194    HG   LEU  31           HG       LEU  31   3.527  10.737  10.737
  195   1HD1  LEU  31          1HD1      LEU  31   4.030   7.876   7.876
  196   2HD1  LEU  31          3HD1      LEU  31   4.222   8.447   8.447
  197   3HD1  LEU  31          2HD1      LEU  31   2.638   8.487   8.487
  198   1HD2  LEU  31          2HD2      LEU  31   5.857   9.988   9.988
  199   2HD2  LEU  31          1HD2      LEU  31   5.703  11.284  11.284
  200   3HD2  LEU  31          3HD2      LEU  31   5.984   9.625   9.625
  201    H    SER  32           H        SER  32   4.517  12.741  12.741
  202    HA   SER  32           HA       SER  32   2.426  12.960  12.960
  203   1HB   SER  32          2HB       SER  32   4.575  13.561  13.561
  204   2HB   SER  32          1HB       SER  32   4.059  14.623  14.623
  205    HG   SER  32           HG       SER  32   6.173  14.230  14.230
  206    H    GLY  33           H        GLY  33   1.996  11.611  11.611
  207   1HA   GLY  33          2HA       GLY  33   2.619   8.907   8.907
  208   2HA   GLY  33          1HA       GLY  33   2.286   9.820   9.820
  209    H    ASP  34           H        ASP  34   4.683  11.590  11.590
  210    HA   ASP  34           HA       ASP  34   6.623  10.169  10.169
  211   1HB   ASP  34          2HB       ASP  34   6.754  12.604  12.604
  212   2HB   ASP  34          1HB       ASP  34   8.064  12.117  12.117
  213    H    LYS  35           H        LYS  35   5.860  10.077  10.077
  214    HA   LYS  35           HA       LYS  35   8.521   8.902   8.902
  215   1HB   LYS  35          2HB       LYS  35   6.230   9.719   9.719
  216   2HB   LYS  35          1HB       LYS  35   7.919   9.471   9.471
  217   1HG   LYS  35          2HG       LYS  35   8.613  11.377  11.377
  218   2HG   LYS  35          1HG       LYS  35   6.977  11.577  11.577
  219   1HD   LYS  35          2HD       LYS  35   7.383  13.190  13.190
  220   2HD   LYS  35          1HD       LYS  35   6.160  12.018  12.018
  221   1HE   LYS  35          2HE       LYS  35   7.604  12.117  12.117
  222   2HE   LYS  35          1HE       LYS  35   8.188  10.690  10.690
  223   1HZ   LYS  35          2HZ       LYS  35   9.716  12.204  12.204
  224   2HZ   LYS  35          1HZ       LYS  35   9.263  13.455  13.455
  225   3HZ   LYS  35          3HZ       LYS  35  10.058  12.084  12.084
  226    H    VAL  36           H        VAL  36   5.040   8.339   8.339
  227    HA   VAL  36           HA       VAL  36   5.245   5.662   5.662
  228    HB   VAL  36           HB       VAL  36   3.068   7.139   7.139
  229   1HG1  VAL  36          2HG1      VAL  36   2.861   4.631   4.631
  230   2HG1  VAL  36          1HG1      VAL  36   2.810   4.735   4.735
  231   3HG1  VAL  36          3HG1      VAL  36   1.538   5.487   5.487
  232   1HG2  VAL  36          1HG2      VAL  36   4.098   7.929   7.929
  233   2HG2  VAL  36          3HG2      VAL  36   2.366   8.022   8.022
  234   3HG2  VAL  36          2HG2      VAL  36   3.014   6.677   6.677
  235    H    LYS  37           H        LYS  37   5.058   7.109   7.109
  236    HA   LYS  37           HA       LYS  37   4.408   4.948   4.948
  237   1HB   LYS  37          2HB       LYS  37   4.721   7.053   7.053
  238   2HB   LYS  37          1HB       LYS  37   6.282   7.298   7.298
  239   1HG   LYS  37          2HG       LYS  37   7.355   5.709   5.709
  240   2HG   LYS  37          1HG       LYS  37   5.809   5.138   5.138
  241   1HD   LYS  37          2HD       LYS  37   5.847   6.718   6.718
  242   2HD   LYS  37          1HD       LYS  37   5.966   7.981   7.981
  243   1HE   LYS  37          2HE       LYS  37   7.994   8.358   8.358
  244   2HE   LYS  37          1HE       LYS  37   8.524   7.053   7.053
  245   1HZ   LYS  37          2HZ       LYS  37   7.200   6.263   6.263
  246   2HZ   LYS  37          1HZ       LYS  37   8.769   6.897   6.897
  247   3HZ   LYS  37          3HZ       LYS  37   8.500   5.533   5.533
  248    HA   PRO  38           HA       PRO  38   9.018   3.550   3.550
  249   1HB   PRO  38          2HB       PRO  38  10.589   4.552   4.552
  250   2HB   PRO  38          1HB       PRO  38  10.480   5.301   5.301
  251   1HG   PRO  38          2HG       PRO  38   9.079   6.035   6.035
  252   2HG   PRO  38          1HG       PRO  38   9.836   7.087   7.087
  253   1HD   PRO  38          2HD       PRO  38   7.184   6.734   6.734
  254   2HD   PRO  38          1HD       PRO  38   8.048   6.921   6.921
  255    H    VAL  39           H        VAL  39   7.359   4.310   4.310
  256    HA   VAL  39           HA       VAL  39   8.312   1.989   1.989
  257    HB   VAL  39           HB       VAL  39   6.277   4.187   4.187
  258   1HG1  VAL  39          2HG1      VAL  39   6.524   1.777   1.777
  259   2HG1  VAL  39          1HG1      VAL  39   5.644   3.251   3.251
  260   3HG1  VAL  39          3HG1      VAL  39   5.107   2.247   2.247
  261   1HG2  VAL  39          2HG2      VAL  39   8.911   4.015   4.015
  262   2HG2  VAL  39          1HG2      VAL  39   7.757   5.071   5.071
  263   3HG2  VAL  39          3HG2      VAL  39   8.161   3.500   3.500
  264    H    LEU  40           H        LEU  40   6.017   2.470   2.470
  265    HA   LEU  40           HA       LEU  40   4.387   0.120   0.120
  266   1HB   LEU  40          2HB       LEU  40   4.094   2.298   2.298
  267   2HB   LEU  40          1HB       LEU  40   2.987   0.928   0.928
  268    HG   LEU  40           HG       LEU  40   3.579   2.867   2.867
  269   1HD1  LEU  40          1HD1      LEU  40   2.277   3.882   3.882
  270   2HD1  LEU  40          3HD1      LEU  40   1.108   2.565   2.565
  271   3HD1  LEU  40          2HD1      LEU  40   1.304   3.698   3.698
  272   1HD2  LEU  40          2HD2      LEU  40   1.714   0.499   0.499
  273   2HD2  LEU  40          1HD2      LEU  40   2.991   0.731   0.731
  274   3HD2  LEU  40          3HD2      LEU  40   1.531   1.716   1.716
  275    H    LEU  41           H        LEU  41   6.907   1.123   1.123
  276    HA   LEU  41           HA       LEU  41   6.554  -1.033  -1.033
  277   1HB   LEU  41          2HB       LEU  41   8.733   1.003   1.003
  278   2HB   LEU  41          1HB       LEU  41   8.659  -0.031  -0.031
  279    HG   LEU  41           HG       LEU  41   6.287   1.651   1.651
  280   1HD1  LEU  41          2HD1      LEU  41   8.929   2.561   2.561
  281   2HD1  LEU  41          1HD1      LEU  41   7.476   3.256   3.256
  282   3HD1  LEU  41          3HD1      LEU  41   7.766   3.419   3.419
  283   1HD2  LEU  41          3HD2      LEU  41   6.511  -0.191  -0.191
  284   2HD2  LEU  41          2HD2      LEU  41   5.725   1.335   1.335
  285   3HD2  LEU  41          1HD2      LEU  41   7.401   1.049   1.049
  286    H    ASN  42           H        ASN  42   8.758  -0.215  -0.215
  287    HA   ASN  42           HA       ASN  42  10.584  -2.324  -2.324
  288   1HB   ASN  42          2HB       ASN  42  10.995  -1.934  -1.934
  289   2HB   ASN  42          1HB       ASN  42  10.410  -0.394  -0.394
  290   1HD2  ASN  42          1HD2      ASN  42   7.684  -0.625  -0.625
  291   2HD2  ASN  42          2HD2      ASN  42   7.069  -1.011  -1.011
  292    H    SER  43           H        SER  43   7.210  -2.397  -2.397
  293    HA   SER  43           HA       SER  43   7.005  -4.910  -4.910
  294   1HB   SER  43          2HB       SER  43   5.073  -3.497  -3.497
  295   2HB   SER  43          1HB       SER  43   4.648  -4.707  -4.707
  296    HG   SER  43           HG       SER  43   5.760  -2.128  -2.128
  297    H    LYS  44           H        LYS  44   7.985  -4.253  -4.253
  298    HA   LYS  44           HA       LYS  44   8.523  -5.757  -5.757
  299   1HB   LYS  44          2HB       LYS  44   8.382  -7.281  -7.281
  300   2HB   LYS  44          1HB       LYS  44   7.269  -8.107  -8.107
  301   1HG   LYS  44          2HG       LYS  44   8.972  -8.369  -8.369
  302   2HG   LYS  44          1HG       LYS  44  10.073  -7.300  -7.300
  303   1HD   LYS  44          2HD       LYS  44   9.018  -9.874  -9.874
  304   2HD   LYS  44          1HD       LYS  44  10.522  -9.796  -9.796
  305   1HE   LYS  44          2HE       LYS  44  11.642  -8.720  -8.720
  306   2HE   LYS  44          1HE       LYS  44  10.220  -7.761  -7.761
  307   1HZ   LYS  44          2HZ       LYS  44  10.197 -10.681 -10.681
  308   2HZ   LYS  44          1HZ       LYS  44  10.972  -9.707  -9.707
  309   3HZ   LYS  44          3HZ       LYS  44   9.319  -9.491  -9.491
  310    H    LEU  45           H        LEU  45   5.627  -4.680  -4.680
  311    HA   LEU  45           HA       LEU  45   3.895  -6.405  -6.405
  312   1HB   LEU  45          2HB       LEU  45   3.637  -4.102  -4.102
  313   2HB   LEU  45          1HB       LEU  45   2.328  -4.391  -4.391
  314    HG   LEU  45           HG       LEU  45   3.447  -6.422  -6.422
  315   1HD1  LEU  45          1HD1      LEU  45   1.825  -4.336  -4.336
  316   2HD1  LEU  45          3HD1      LEU  45   0.621  -5.512  -5.512
  317   3HD1  LEU  45          2HD1      LEU  45   1.710  -5.898  -5.898
  318   1HD2  LEU  45          1HD2      LEU  45   2.156  -6.858  -6.858
  319   2HD2  LEU  45          3HD2      LEU  45   2.279  -8.013  -8.013
  320   3HD2  LEU  45          2HD2      LEU  45   0.862  -6.972  -6.972
  321    HA   PRO  46           HA       PRO  46   4.200  -3.801  -3.801
  322   1HB   PRO  46          2HB       PRO  46   1.720  -4.166  -4.166
  323   2HB   PRO  46          1HB       PRO  46   2.998  -5.396  -5.396
  324   1HG   PRO  46          2HG       PRO  46   0.593  -5.241  -5.241
  325   2HG   PRO  46          1HG       PRO  46   1.440  -6.654  -6.654
  326   1HD   PRO  46          2HD       PRO  46   1.636  -5.703  -5.703
  327   2HD   PRO  46          1HD       PRO  46   2.796  -6.795  -6.795
  328    H    VAL  47           H        VAL  47   3.104  -1.870  -1.870
  329    HA   VAL  47           HA       VAL  47   2.387   0.080   0.080
  330    HB   VAL  47           HB       VAL  47   2.369  -0.049  -0.049
  331   1HG1  VAL  47          2HG1      VAL  47   0.674   1.584   1.584
  332   2HG1  VAL  47          1HG1      VAL  47   1.888   2.367   2.367
  333   3HG1  VAL  47          3HG1      VAL  47   2.056   2.389   2.389
  334   1HG2  VAL  47          1HG2      VAL  47   4.500  -0.040  -0.040
  335   2HG2  VAL  47          3HG2      VAL  47   4.445   1.019   1.019
  336   3HG2  VAL  47          2HG2      VAL  47   4.121   1.671   1.671
  337    H    ASP  48           H        ASP  48   0.526  -2.356  -2.356
  338    HA   ASP  48           HA       ASP  48  -1.986  -0.882  -0.882
  339   1HB   ASP  48          2HB       ASP  48  -0.886  -3.365  -3.365
  340   2HB   ASP  48          1HB       ASP  48  -2.233  -3.729  -3.729
  341    H    ILE  49           H        ILE  49  -0.421  -3.040  -3.040
  342    HA   ILE  49           HA       ILE  49  -2.606  -3.146  -3.146
  343    HB   ILE  49           HB       ILE  49   0.367  -3.304  -3.304
  344   1HG1  ILE  49          2HG1      ILE  49  -0.062  -4.726  -4.726
  345   2HG1  ILE  49          1HG1      ILE  49   0.163  -5.735  -5.735
  346   1HG2  ILE  49          2HG2      ILE  49  -2.073  -3.849  -3.849
  347   2HG2  ILE  49          1HG2      ILE  49  -1.040  -5.278  -5.278
  348   3HG2  ILE  49          3HG2      ILE  49  -0.409  -3.770  -3.770
  349   1HD1  ILE  49          3HD1      ILE  49  -2.589  -5.121  -5.121
  350   2HD1  ILE  49          2HD1      ILE  49  -2.126  -5.563  -5.563
  351   3HD1  ILE  49          1HD1      ILE  49  -1.824  -6.679  -6.679
  352    H    LEU  50           H        LEU  50   0.296  -1.185  -1.185
  353    HA   LEU  50           HA       LEU  50  -0.098   0.504   0.504
  354   1HB   LEU  50          2HB       LEU  50   1.300   1.151   1.151
  355   2HB   LEU  50          1HB       LEU  50   1.693   1.772   1.772
  356    HG   LEU  50           HG       LEU  50   2.113  -1.015  -1.015
  357   1HD1  LEU  50          1HD1      LEU  50   3.849   0.812   0.812
  358   2HD1  LEU  50          3HD1      LEU  50   3.961   0.838   0.838
  359   3HD1  LEU  50          2HD1      LEU  50   4.398  -0.622  -0.622
  360   1HD2  LEU  50          2HD2      LEU  50   1.561  -0.136  -0.136
  361   2HD2  LEU  50          1HD2      LEU  50   1.407  -1.737  -1.737
  362   3HD2  LEU  50          3HD2      LEU  50   2.984  -1.156  -1.156
  363    H    GLY  51           H        GLY  51  -1.611   0.318   0.318
  364   1HA   GLY  51          2HA       GLY  51  -2.513   3.134   3.134
  365   2HA   GLY  51          1HA       GLY  51  -2.924   1.939   1.939
  366    H    ARG  52           H        ARG  52  -3.630  -0.080  -0.080
  367    HA   ARG  52           HA       ARG  52  -6.383   0.861   0.861
  368   1HB   ARG  52          2HB       ARG  52  -5.214  -1.477  -1.477
  369   2HB   ARG  52          1HB       ARG  52  -5.588  -1.864  -1.864
  370   1HG   ARG  52          2HG       ARG  52  -7.920  -1.055  -1.055
  371   2HG   ARG  52          1HG       ARG  52  -7.525  -0.823  -0.823
  372   1HD   ARG  52          2HD       ARG  52  -6.967  -3.494  -3.494
  373   2HD   ARG  52          1HD       ARG  52  -8.623  -3.093  -3.093
  374    HE   ARG  52           HE       ARG  52  -6.471  -2.575  -2.575
  375   1HH1  ARG  52          1HH2      ARG  52  -8.777  -4.806  -4.806
  376   2HH1  ARG  52          2HH2      ARG  52  -9.187  -5.446  -5.446
  377   1HH2  ARG  52          2HH1      ARG  52  -7.147  -3.248  -3.248
  378   2HH2  ARG  52          1HH1      ARG  52  -8.266  -4.564  -4.564
  379    H    VAL  53           H        VAL  53  -3.794  -0.877  -0.877
  380    HA   VAL  53           HA       VAL  53  -4.904  -0.708  -0.708
  381    HB   VAL  53           HB       VAL  53  -2.072  -0.552  -0.552
  382   1HG1  VAL  53          2HG1      VAL  53  -3.033  -0.705  -0.705
  383   2HG1  VAL  53          1HG1      VAL  53  -1.387  -1.083  -1.083
  384   3HG1  VAL  53          3HG1      VAL  53  -2.019   0.549   0.549
  385   1HG2  VAL  53          1HG2      VAL  53  -3.423  -2.646  -2.646
  386   2HG2  VAL  53          3HG2      VAL  53  -2.003  -2.881  -2.881
  387   3HG2  VAL  53          2HG2      VAL  53  -3.600  -2.732  -2.732
  388    H    TRP  54           H        TRP  54  -2.660   1.650   1.650
  389    HA   TRP  54           HA       TRP  54  -2.708   3.659   3.659
  390   1HB   TRP  54          2HB       TRP  54  -1.271   3.845   3.845
  391   2HB   TRP  54          1HB       TRP  54  -2.636   3.748   3.748
  392    HD1  TRP  54           HD1      TRP  54  -4.425   5.845   5.845
  393    HE1  TRP  54           HE1      TRP  54  -3.966   8.353   8.353
  394    HE3  TRP  54           HE3      TRP  54   0.205   5.548   5.548
  395    HZ2  TRP  54           HZ2      TRP  54  -1.915  10.001  10.001
  396    HZ3  TRP  54           HZ3      TRP  54   1.388   7.605   7.605
  397    HH2  TRP  54           HH2      TRP  54   0.332   9.830   9.830
  398    H    GLU  55           H        GLU  55  -4.871   3.504   3.504
  399    HA   GLU  55           HA       GLU  55  -6.520   5.666   5.666
  400   1HB   GLU  55          2HB       GLU  55  -7.662   4.904   4.904
  401   2HB   GLU  55          1HB       GLU  55  -6.389   3.693   3.693
  402   1HG   GLU  55          2HG       GLU  55  -7.712   2.073   2.073
  403   2HG   GLU  55          1HG       GLU  55  -8.887   3.279   3.279
  404    H    LEU  56           H        LEU  56  -6.859   2.293   2.293
  405    HA   LEU  56           HA       LEU  56  -9.139   2.900   2.900
  406   1HB   LEU  56          2HB       LEU  56  -7.246   0.526   0.526
  407   2HB   LEU  56          1HB       LEU  56  -8.850   0.552   0.552
  408    HG   LEU  56           HG       LEU  56  -8.766   1.419   1.419
  409   1HD1  LEU  56          1HD1      LEU  56  -7.104  -0.617  -0.617
  410   2HD1  LEU  56          3HD1      LEU  56  -8.607  -1.537  -1.537
  411   3HD1  LEU  56          2HD1      LEU  56  -8.199  -0.603  -0.603
  412   1HD2  LEU  56          1HD2      LEU  56 -10.652   0.531   0.531
  413   2HD2  LEU  56          3HD2      LEU  56 -10.944   0.784   0.784
  414   3HD2  LEU  56          2HD2      LEU  56 -10.504  -0.817  -0.817
  415    H    SER  57           H        SER  57  -5.803   3.453   3.453
  416    HA   SER  57           HA       SER  57  -5.723   3.293   3.293
  417   1HB   SER  57          2HB       SER  57  -3.518   2.903   2.903
  418   2HB   SER  57          1HB       SER  57  -3.941   2.682   2.682
  419    HG   SER  57           HG       SER  57  -2.249   4.296   4.296
  420    H    ASP  58           H        ASP  58  -5.354   5.568   5.568
  421    HA   ASP  58           HA       ASP  58  -4.870   7.893   7.893
  422   1HB   ASP  58          2HB       ASP  58  -4.232   7.400   7.400
  423   2HB   ASP  58          1HB       ASP  58  -5.889   7.885   7.885
  424    H    ILE  59           H        ILE  59  -6.686   7.719   7.719
  425    HA   ILE  59           HA       ILE  59  -9.379   7.457   7.457
  426    HB   ILE  59           HB       ILE  59  -8.018   9.289   9.289
  427   1HG1  ILE  59          2HG1      ILE  59  -7.394   6.836   6.836
  428   2HG1  ILE  59          1HG1      ILE  59  -8.154   7.413   7.413
  429   1HG2  ILE  59          3HG2      ILE  59 -10.809   8.812   8.812
  430   2HG2  ILE  59          2HG2      ILE  59 -10.432   8.300   8.300
  431   3HG2  ILE  59          1HG2      ILE  59 -10.096   9.956   9.956
  432   1HD1  ILE  59          1HD1      ILE  59  -9.957   6.352   6.352
  433   2HD1  ILE  59          3HD1      ILE  59  -8.972   5.180   5.180
  434   3HD1  ILE  59          2HD1      ILE  59 -10.088   6.227   6.227
  435    H    ASP  60           H        ASP  60  -7.373  10.356  10.356
  436    HA   ASP  60           HA       ASP  60  -9.793  11.841  11.841
  437   1HB   ASP  60          2HB       ASP  60  -8.476  13.813  13.813
  438   2HB   ASP  60          1HB       ASP  60  -8.245  12.725  12.725
  439    H    HIS  61           H        HIS  61  -7.110  10.144  10.144
  440    HA   HIS  61           HA       HIS  61  -6.245  10.014  10.014
  441   1HB   HIS  61          2HB       HIS  61  -8.988  11.244  11.244
  442   2HB   HIS  61          1HB       HIS  61  -7.973  10.755  10.755
  443    HD1  HIS  61           HD1      HIS  61  -8.040   8.326   8.326
  444    HD2  HIS  61           HD2      HIS  61  -9.613   8.975   8.975
  445    HE1  HIS  61           HE1      HIS  61  -8.998   6.112   6.112
  446    H    ASP  62           H        ASP  62  -5.412  12.234  12.234
  447    HA   ASP  62           HA       ASP  62  -5.437  14.558  14.558
  448   1HB   ASP  62          2HB       ASP  62  -4.920  15.816  15.816
  449   2HB   ASP  62          1HB       ASP  62  -6.009  14.557  14.557
  450    H    GLY  63           H        GLY  63  -3.725  11.896  11.896
  451   1HA   GLY  63          2HA       GLY  63  -1.597  11.488  11.488
  452   2HA   GLY  63          1HA       GLY  63  -1.270  13.220  13.220
  453    H    MET  64           H        MET  64  -2.477  12.064  12.064
  454    HA   MET  64           HA       MET  64   0.241  11.525  11.525
  455   1HB   MET  64          2HB       MET  64  -1.561  13.830  13.830
  456   2HB   MET  64          1HB       MET  64  -0.868  13.150  13.150
  457   1HG   MET  64          2HG       MET  64   1.378  13.297  13.297
  458   2HG   MET  64          1HG       MET  64   0.666  14.061  14.061
  459   1HE   MET  64          2HE       MET  64   2.909  14.822  14.822
  460   2HE   MET  64          1HE       MET  64   2.835  16.537  16.537
  461   3HE   MET  64          3HE       MET  64   2.725  15.316  15.316
  462    H    LEU  65           H        LEU  65   0.129  10.520  10.520
  463    HA   LEU  65           HA       LEU  65  -2.530   9.240   9.240
  464   1HB   LEU  65          2HB       LEU  65   0.304   8.172   8.172
  465   2HB   LEU  65          1HB       LEU  65  -0.954   7.335   7.335
  466    HG   LEU  65           HG       LEU  65  -1.218   8.077   8.077
  467   1HD1  LEU  65          1HD1      LEU  65   0.600   6.285   6.285
  468   2HD1  LEU  65          3HD1      LEU  65  -0.827   5.251   5.251
  469   3HD1  LEU  65          2HD1      LEU  65  -0.257   6.080   6.080
  470   1HD2  LEU  65          2HD2      LEU  65  -3.230   7.576   7.576
  471   2HD2  LEU  65          1HD2      LEU  65  -3.197   6.829   6.829
  472   3HD2  LEU  65          3HD2      LEU  65  -2.703   5.903   5.903
  473    H    ASP  66           H        ASP  66  -3.189   9.967   9.967
  474    HA   ASP  66           HA       ASP  66  -1.337  11.224  11.224
  475   1HB   ASP  66          2HB       ASP  66  -3.944  11.460  11.460
  476   2HB   ASP  66          1HB       ASP  66  -4.034  10.199  10.199
  477    H    ARG  67           H        ARG  67  -1.139  10.383  10.383
  478    HA   ARG  67           HA       ARG  67   0.147   7.957   7.957
  479   1HB   ARG  67          2HB       ARG  67   0.241   8.801   8.801
  480   2HB   ARG  67          1HB       ARG  67  -1.017   9.957   9.957
  481   1HG   ARG  67          2HG       ARG  67  -2.749   8.496   8.496
  482   2HG   ARG  67          1HG       ARG  67  -1.650   7.123   7.123
  483   1HD   ARG  67          2HD       ARG  67  -2.014   7.937   7.937
  484   2HD   ARG  67          1HD       ARG  67  -0.368   8.404   8.404
  485    HE   ARG  67           HE       ARG  67  -1.905  10.535  10.535
  486   1HH1  ARG  67          1HH2      ARG  67   0.007  10.922  10.922
  487   2HH1  ARG  67          2HH2      ARG  67  -1.019  11.365  11.365
  488   1HH2  ARG  67          2HH1      ARG  67  -3.913  10.195  10.195
  489   2HH2  ARG  67          1HH1      ARG  67  -3.241  10.951  10.951
  490    H    ASP  68           H        ASP  68  -3.358   8.457   8.457
  491    HA   ASP  68           HA       ASP  68  -3.960   5.658   5.658
  492   1HB   ASP  68          2HB       ASP  68  -5.203   8.089   8.089
  493   2HB   ASP  68          1HB       ASP  68  -6.048   7.430   7.430
  494    H    GLU  69           H        GLU  69  -4.312   7.802   7.802
  495    HA   GLU  69           HA       GLU  69  -5.413   5.879   5.879
  496   1HB   GLU  69          2HB       GLU  69  -3.506   8.136   8.136
  497   2HB   GLU  69          1HB       GLU  69  -4.816   7.503   7.503
  498   1HG   GLU  69          2HG       GLU  69  -6.383   8.206   8.206
  499   2HG   GLU  69          1HG       GLU  69  -5.022   9.150   9.150
  500    H    PHE  70           H        PHE  70  -2.053   6.770   6.770
  501    HA   PHE  70           HA       PHE  70  -0.756   5.108   5.108
  502   1HB   PHE  70          2HB       PHE  70   0.157   6.963   6.963
  503   2HB   PHE  70          1HB       PHE  70   0.173   5.767   5.767
  504    HD1  PHE  70           HD2      PHE  70   1.452   3.566   3.566
  505    HD2  PHE  70           HD1      PHE  70   1.929   7.083   7.083
  506    HE1  PHE  70           HE2      PHE  70   3.623   2.698   2.698
  507    HE2  PHE  70           HE1      PHE  70   4.099   6.217   6.217
  508    HZ   PHE  70           HZ       PHE  70   4.937   4.026   4.026
  509    H    ALA  71           H        ALA  71  -2.197   4.473   4.473
  510    HA   ALA  71           HA       ALA  71  -1.047   1.896   1.896
  511   1HB   ALA  71          3HB       ALA  71  -2.456   3.551   3.551
  512   2HB   ALA  71          2HB       ALA  71  -3.853   2.749   2.749
  513   3HB   ALA  71          1HB       ALA  71  -2.704   1.822   1.822
  514    H    VAL  72           H        VAL  72  -4.025   2.881   2.881
  515    HA   VAL  72           HA       VAL  72  -5.084   0.304   0.304
  516    HB   VAL  72           HB       VAL  72  -5.229   2.934   2.934
  517   1HG1  VAL  72          3HG1      VAL  72  -6.806   0.380   0.380
  518   2HG1  VAL  72          2HG1      VAL  72  -7.588   1.918   1.918
  519   3HG1  VAL  72          1HG1      VAL  72  -6.202   1.393   1.393
  520   1HG2  VAL  72          2HG2      VAL  72  -6.863   1.781   1.781
  521   2HG2  VAL  72          1HG2      VAL  72  -5.865   3.235   3.235
  522   3HG2  VAL  72          3HG2      VAL  72  -7.340   3.202   3.202
  523    H    ALA  73           H        ALA  73  -2.580   2.199   2.199
  524    HA   ALA  73           HA       ALA  73  -2.507   0.526   0.526
  525   1HB   ALA  73          3HB       ALA  73  -1.813   3.102   3.102
  526   2HB   ALA  73          2HB       ALA  73  -0.246   2.299   2.299
  527   3HB   ALA  73          1HB       ALA  73  -1.382   2.324   2.324
  528    H    MET  74           H        MET  74  -1.244   0.145   0.145
  529    HA   MET  74           HA       MET  74   1.216  -1.197  -1.197
  530   1HB   MET  74          2HB       MET  74   0.138  -1.108  -1.108
  531   2HB   MET  74          1HB       MET  74   1.811  -1.293  -1.293
  532   1HG   MET  74          2HG       MET  74   0.137   1.174   1.174
  533   2HG   MET  74          1HG       MET  74   1.820   0.939   0.939
  534   1HE   MET  74          3HE       MET  74   2.911  -0.558  -0.558
  535   2HE   MET  74          2HE       MET  74   2.957  -0.058  -0.058
  536   3HE   MET  74          1HE       MET  74   3.904   0.821   0.821
  537    H    PHE  75           H        PHE  75  -1.835  -2.092  -2.092
  538    HA   PHE  75           HA       PHE  75  -1.135  -4.927  -4.927
  539   1HB   PHE  75          2HB       PHE  75  -3.114  -5.174  -5.174
  540   2HB   PHE  75          1HB       PHE  75  -2.744  -3.485  -3.485
  541    HD1  PHE  75           HD1      PHE  75  -4.901  -5.794  -5.794
  542    HD2  PHE  75           HD2      PHE  75  -4.031  -1.688  -1.688
  543    HE1  PHE  75           HE1      PHE  75  -7.071  -5.118  -5.118
  544    HE2  PHE  75           HE2      PHE  75  -6.195  -1.015  -1.015
  545    HZ   PHE  75           HZ       PHE  75  -7.718  -2.727  -2.727
  546    H    LEU  76           H        LEU  76  -2.366  -2.671  -2.671
  547    HA   LEU  76           HA       LEU  76  -3.770  -4.657  -4.657
  548   1HB   LEU  76          2HB       LEU  76  -3.210  -1.720  -1.720
  549   2HB   LEU  76          1HB       LEU  76  -3.595  -2.469  -2.469
  550    HG   LEU  76           HG       LEU  76  -5.292  -2.493  -2.493
  551   1HD1  LEU  76          2HD1      LEU  76  -5.375  -1.114  -1.114
  552   2HD1  LEU  76          1HD1      LEU  76  -6.906  -1.585  -1.585
  553   3HD1  LEU  76          3HD1      LEU  76  -5.810  -0.502  -0.502
  554   1HD2  LEU  76          3HD2      LEU  76  -5.431  -4.109  -4.109
  555   2HD2  LEU  76          2HD2      LEU  76  -5.669  -4.640  -4.640
  556   3HD2  LEU  76          1HD2      LEU  76  -6.912  -3.683  -3.683
  557    H    VAL  77           H        VAL  77  -0.609  -3.206  -3.206
  558    HA   VAL  77           HA       VAL  77   0.296  -4.202  -4.202
  559    HB   VAL  77           HB       VAL  77   1.440  -2.557  -2.557
  560   1HG1  VAL  77          3HG1      VAL  77   2.903  -3.685  -3.685
  561   2HG1  VAL  77          2HG1      VAL  77   3.510  -2.351  -2.351
  562   3HG1  VAL  77          1HG1      VAL  77   3.295  -3.948  -3.948
  563   1HG2  VAL  77          2HG2      VAL  77   0.191  -2.068  -2.068
  564   2HG2  VAL  77          1HG2      VAL  77   0.617  -0.913  -0.913
  565   3HG2  VAL  77          3HG2      VAL  77   1.808  -1.363  -1.363
  566    H    TYR  78           H        TYR  78   0.508  -5.028  -5.028
  567    HA   TYR  78           HA       TYR  78   2.654  -6.990  -6.990
  568   1HB   TYR  78          2HB       TYR  78   1.038  -5.790  -5.790
  569   2HB   TYR  78          1HB       TYR  78   1.409  -7.493  -7.493
  570    HD1  TYR  78           HD2      TYR  78   3.999  -7.943  -7.943
  571    HD2  TYR  78           HD1      TYR  78   2.530  -4.443  -4.443
  572    HE1  TYR  78           HE2      TYR  78   6.322  -7.326  -7.326
  573    HE2  TYR  78           HE1      TYR  78   4.847  -3.829  -3.829
  574    HH   TYR  78           HH       TYR  78   6.974  -4.542  -4.542
  575    H    CYS  79           H        CYS  79  -0.850  -6.985  -6.985
  576    HA   CYS  79           HA       CYS  79  -1.056  -9.921  -9.921
  577   1HB   CYS  79          2HB       CYS  79  -2.747  -7.571  -7.571
  578   2HB   CYS  79          1HB       CYS  79  -3.442  -8.766  -8.766
  579    HG   CYS  79           HG       CYS  79  -3.479  -8.994  -8.994
  580    H    ALA  80           H        ALA  80  -0.408  -7.607  -7.607
  581    HA   ALA  80           HA       ALA  80  -1.510  -9.212  -9.212
  582   1HB   ALA  80          1HB       ALA  80  -0.516  -6.517  -6.517
  583   2HB   ALA  80          3HB       ALA  80   0.144  -7.175  -7.175
  584   3HB   ALA  80          2HB       ALA  80  -1.601  -7.069  -7.069
  585    H    LEU  81           H        LEU  81   1.277  -9.139  -9.139
  586    HA   LEU  81           HA       LEU  81   3.134 -10.072 -10.072
  587   1HB   LEU  81          2HB       LEU  81   3.629 -10.053 -10.053
  588   2HB   LEU  81          1HB       LEU  81   4.768  -9.729  -9.729
  589    HG   LEU  81           HG       LEU  81   2.678  -7.932  -7.932
  590   1HD1  LEU  81          2HD1      LEU  81   5.617  -7.813  -7.813
  591   2HD1  LEU  81          1HD1      LEU  81   4.695  -6.334  -6.334
  592   3HD1  LEU  81          3HD1      LEU  81   4.809  -7.546  -7.546
  593   1HD2  LEU  81          3HD2      LEU  81   3.600  -8.031  -8.031
  594   2HD2  LEU  81          2HD2      LEU  81   2.053  -7.500  -7.500
  595   3HD2  LEU  81          1HD2      LEU  81   3.461  -6.442  -6.442
  596    H    GLU  82           H        GLU  82   1.607 -11.251 -11.251
  597    HA   GLU  82           HA       GLU  82   2.649 -13.932 -13.932
  598   1HB   GLU  82          2HB       GLU  82   1.963 -13.164 -13.164
  599   2HB   GLU  82          1HB       GLU  82   0.454 -12.505 -12.505
  600   1HG   GLU  82          2HG       GLU  82  -0.628 -14.480 -14.480
  601   2HG   GLU  82          1HG       GLU  82   0.729 -15.394 -15.394
  602    H    LYS  83           H        LYS  83  -0.598 -12.580 -12.580
  603    HA   LYS  83           HA       LYS  83  -1.008 -14.104 -14.104
  604   1HB   LYS  83          2HB       LYS  83  -0.873 -15.783 -15.783
  605   2HB   LYS  83          1HB       LYS  83  -2.546 -15.291 -15.291
  606   1HG   LYS  83          2HG       LYS  83  -1.904 -15.883 -15.883
  607   2HG   LYS  83          1HG       LYS  83  -1.714 -17.271 -17.271
  608   1HD   LYS  83          2HD       LYS  83  -3.987 -16.957 -16.957
  609   2HD   LYS  83          1HD       LYS  83  -4.185 -15.521 -15.521
  610   1HE   LYS  83          2HE       LYS  83  -3.340 -17.528 -17.528
  611   2HE   LYS  83          1HE       LYS  83  -4.545 -18.305 -18.305
  612   1HZ   LYS  83          1HZ       LYS  83  -5.787 -16.063 -16.063
  613   2HZ   LYS  83          3HZ       LYS  83  -4.832 -15.922 -15.922
  614   3HZ   LYS  83          2HZ       LYS  83  -5.883 -17.244 -17.244
  615    H    GLU  84           H        GLU  84  -2.431 -12.484 -12.484
  616    HA   GLU  84           HA       GLU  84  -5.109 -12.240 -12.240
  617   1HB   GLU  84          2HB       GLU  84  -3.365 -10.866 -10.866
  618   2HB   GLU  84          1HB       GLU  84  -4.960 -10.201 -10.201
  619   1HG   GLU  84          2HG       GLU  84  -5.841 -12.599 -12.599
  620   2HG   GLU  84          1HG       GLU  84  -4.279 -12.927 -12.927
  621    HA   PRO  85           HA       PRO  85  -3.969  -9.268  -9.268
  622   1HB   PRO  85          2HB       PRO  85  -6.358  -9.413  -9.413
  623   2HB   PRO  85          1HB       PRO  85  -5.070 -10.619 -10.619
  624   1HG   PRO  85          2HG       PRO  85  -7.566 -10.766 -10.766
  625   2HG   PRO  85          1HG       PRO  85  -6.742 -12.029 -12.029
  626   1HD   PRO  85          2HD       PRO  85  -6.596 -11.780 -11.780
  627   2HD   PRO  85          1HD       PRO  85  -5.357 -12.567 -12.567
  628    H    VAL  86           H        VAL  86  -5.370  -7.270  -7.270
  629    HA   VAL  86           HA       VAL  86  -6.881  -6.151  -6.151
  630    HB   VAL  86           HB       VAL  86  -4.898  -4.859  -4.859
  631   1HG1  VAL  86          3HG1      VAL  86  -7.022  -3.720  -3.720
  632   2HG1  VAL  86          2HG1      VAL  86  -5.451  -3.177  -3.177
  633   3HG1  VAL  86          1HG1      VAL  86  -5.901  -2.908  -2.908
  634   1HG2  VAL  86          1HG2      VAL  86  -4.690  -6.188  -6.188
  635   2HG2  VAL  86          3HG2      VAL  86  -3.405  -5.597  -5.597
  636   3HG2  VAL  86          2HG2      VAL  86  -4.159  -4.510  -4.510
  637    HA   PRO  87           HA       PRO  87  -9.866  -5.397  -5.397
  638   1HB   PRO  87          2HB       PRO  87 -11.846  -4.521  -4.521
  639   2HB   PRO  87          1HB       PRO  87 -11.422  -6.234  -6.234
  640   1HG   PRO  87          2HG       PRO  87 -10.915  -4.401  -4.401
  641   2HG   PRO  87          1HG       PRO  87 -10.955  -6.167  -6.167
  642   1HD   PRO  87          2HD       PRO  87  -8.664  -4.460  -4.460
  643   2HD   PRO  87          1HD       PRO  87  -8.704  -6.235  -6.235
  644    H    MET  88           H        MET  88 -11.574  -3.298  -3.298
  645    HA   MET  88           HA       MET  88  -9.781  -0.907  -0.907
  646   1HB   MET  88          2HB       MET  88 -12.149  -1.163  -1.163
  647   2HB   MET  88          1HB       MET  88 -10.771  -0.079  -0.079
  648   1HG   MET  88          2HG       MET  88  -9.329  -1.806  -1.806
  649   2HG   MET  88          1HG       MET  88 -10.403  -3.072  -3.072
  650   1HE   MET  88          1HE       MET  88 -12.382  -3.909  -3.909
  651   2HE   MET  88          3HE       MET  88 -13.272  -2.379  -2.379
  652   3HE   MET  88          2HE       MET  88 -13.214  -3.365  -3.365
  653    H    SER  89           H        SER  89 -12.308  -2.314  -2.314
  654    HA   SER  89           HA       SER  89 -13.802   0.257   0.257
  655   1HB   SER  89          2HB       SER  89 -14.496  -2.648  -2.648
  656   2HB   SER  89          1HB       SER  89 -15.531  -1.375  -1.375
  657    HG   SER  89           HG       SER  89 -15.686  -0.534  -0.534
  658    H    LEU  90           H        LEU  90 -12.756   1.242   1.242
  659    HA   LEU  90           HA       LEU  90 -11.545   0.224   0.224
  660   1HB   LEU  90          2HB       LEU  90 -12.639   2.689   2.689
  661   2HB   LEU  90          1HB       LEU  90 -13.141   2.494   2.494
  662    HG   LEU  90           HG       LEU  90 -10.286   1.975   1.975
  663   1HD1  LEU  90          3HD1      LEU  90 -11.570   4.652   4.652
  664   2HD1  LEU  90          2HD1      LEU  90  -9.829   4.364   4.364
  665   3HD1  LEU  90          1HD1      LEU  90 -10.727   4.197   4.197
  666   1HD2  LEU  90          3HD2      LEU  90 -11.319   1.391   1.391
  667   2HD2  LEU  90          2HD2      LEU  90  -9.863   2.386   2.386
  668   3HD2  LEU  90          1HD2      LEU  90 -11.448   3.129   3.129
  669    HA   PRO  91           HA       PRO  91 -15.182  -1.961  -1.961
  670   1HB   PRO  91          2HB       PRO  91 -13.813  -3.231  -3.231
  671   2HB   PRO  91          1HB       PRO  91 -13.837  -3.806  -3.806
  672   1HG   PRO  91          2HG       PRO  91 -11.763  -2.179  -2.179
  673   2HG   PRO  91          1HG       PRO  91 -11.559  -3.563  -3.563
  674   1HD   PRO  91          2HD       PRO  91 -11.195  -1.047  -1.047
  675   2HD   PRO  91          1HD       PRO  91 -11.921  -2.290  -2.290
  676    HA   PRO  92           HA       PRO  92 -16.196   0.899   0.899
  677   1HB   PRO  92          2HB       PRO  92 -18.306  -0.433  -0.433
  678   2HB   PRO  92          1HB       PRO  92 -18.401   0.398   0.398
  679   1HG   PRO  92          2HG       PRO  92 -18.054  -2.500  -2.500
  680   2HG   PRO  92          1HG       PRO  92 -19.015  -1.712  -1.712
  681   1HD   PRO  92          2HD       PRO  92 -16.587  -2.855  -2.855
  682   2HD   PRO  92          1HD       PRO  92 -17.223  -1.491  -1.491
  683    H    ALA  93           H        ALA  93 -15.082  -2.278  -2.278
  684    HA   ALA  93           HA       ALA  93 -15.143  -1.910  -1.910
  685   1HB   ALA  93          1HB       ALA  93 -15.212  -4.073  -4.073
  686   2HB   ALA  93          3HB       ALA  93 -13.662  -4.194  -4.194
  687   3HB   ALA  93          2HB       ALA  93 -15.166  -4.179  -4.179
  688    H    LEU  94           H        LEU  94 -13.506  -0.313  -0.313
  689    HA   LEU  94           HA       LEU  94 -10.866  -0.711  -0.711
  690   1HB   LEU  94          2HB       LEU  94 -10.424  -1.850  -1.850
  691   2HB   LEU  94          1HB       LEU  94 -11.750  -1.088  -1.088
  692    HG   LEU  94           HG       LEU  94 -10.118   1.034   1.034
  693   1HD1  LEU  94          1HD1      LEU  94  -8.532  -0.834  -0.834
  694   2HD1  LEU  94          3HD1      LEU  94  -8.045  -1.010  -1.010
  695   3HD1  LEU  94          2HD1      LEU  94  -7.908   0.555   0.555
  696   1HD2  LEU  94          3HD2      LEU  94 -11.097  -0.330  -0.330
  697   2HD2  LEU  94          2HD2      LEU  94  -9.617   0.591   0.591
  698   3HD2  LEU  94          1HD2      LEU  94  -9.535  -1.150  -1.150
  699    H    VAL  95           H        VAL  95 -13.330   1.417   1.417
  700    HA   VAL  95           HA       VAL  95 -11.609   3.761   3.761
  701    HB   VAL  95           HB       VAL  95 -14.605   3.472   3.472
  702   1HG1  VAL  95          3HG1      VAL  95 -13.286   5.777   5.777
  703   2HG1  VAL  95          2HG1      VAL  95 -13.280   5.596   5.596
  704   3HG1  VAL  95          1HG1      VAL  95 -14.810   5.649   5.649
  705   1HG2  VAL  95          3HG2      VAL  95 -13.713   2.063   2.063
  706   2HG2  VAL  95          2HG2      VAL  95 -14.693   3.394   3.394
  707   3HG2  VAL  95          1HG2      VAL  95 -12.933   3.484   3.484
  708    HA   PRO  96           HA       PRO  96 -11.501   4.590   4.590
  709   1HB   PRO  96          2HB       PRO  96 -10.010   6.875   6.875
  710   2HB   PRO  96          1HB       PRO  96  -9.306   5.252   5.252
  711   1HG   PRO  96          2HG       PRO  96  -9.984   7.220   7.220
  712   2HG   PRO  96          1HG       PRO  96  -8.625   6.093   6.093
  713   1HD   PRO  96          2HD       PRO  96 -10.857   5.687   5.687
  714   2HD   PRO  96          1HD       PRO  96  -9.810   4.386   4.386
  715    HA   PRO  97           HA       PRO  97 -14.702   7.620   7.620
  716   1HB   PRO  97          2HB       PRO  97 -14.492   8.227   8.227
  717   2HB   PRO  97          1HB       PRO  97 -15.172   6.694   6.694
  718   1HG   PRO  97          2HG       PRO  97 -12.494   7.262   7.262
  719   2HG   PRO  97          1HG       PRO  97 -13.500   5.814   5.814
  720   1HD   PRO  97          2HD       PRO  97 -11.319   6.073   6.073
  721   2HD   PRO  97          1HD       PRO  97 -12.626   4.886   4.886
  722    H    SER  98           H        SER  98 -14.990   9.899   9.899
  723    HA   SER  98           HA       SER  98 -14.320  12.155  12.155
  724   1HB   SER  98          2HB       SER  98 -11.580  11.375  11.375
  725   2HB   SER  98          1HB       SER  98 -12.611  12.684  12.684
  726    HG   SER  98           HG       SER  98 -13.870  11.157  11.157
  727    H    LYS  99           H        LYS  99 -13.030   9.722   9.722
  728    HA   LYS  99           HA       LYS  99 -11.534  11.624  11.624
  729   1HB   LYS  99          2HB       LYS  99 -10.319   9.664   9.664
  730   2HB   LYS  99          1HB       LYS  99 -11.264   8.606   8.606
  731   1HG   LYS  99          2HG       LYS  99  -9.605   8.891   8.891
  732   2HG   LYS  99          1HG       LYS  99 -10.288  10.497  10.497
  733   1HD   LYS  99          2HD       LYS  99  -7.845  10.573  10.573
  734   2HD   LYS  99          1HD       LYS  99  -8.795  11.437  11.437
  735   1HE   LYS  99          2HE       LYS  99  -8.485   9.760   9.760
  736   2HE   LYS  99          1HE       LYS  99  -8.078   8.532   8.532
  737   1HZ   LYS  99          1HZ       LYS  99  -6.459  10.985  10.985
  738   2HZ   LYS  99          3HZ       LYS  99  -6.142   9.577   9.577
  739   3HZ   LYS  99          2HZ       LYS  99  -6.035   9.550   9.550
  740    H    ARG 100           H        ARG 100 -14.401  10.006  10.006
  741    HA   ARG 100           HA       ARG 100 -14.813   9.144   9.144
  742   1HB   ARG 100          2HB       ARG 100 -16.930   8.329   8.329
  743   2HB   ARG 100          1HB       ARG 100 -15.646   7.911   7.911
  744   1HG   ARG 100          2HG       ARG 100 -16.650  10.551  10.551
  745   2HG   ARG 100          1HG       ARG 100 -17.985   9.398   9.398
  746   1HD   ARG 100          2HD       ARG 100 -15.432   9.093   9.093
  747   2HD   ARG 100          1HD       ARG 100 -17.047   9.448   9.448
  748    HE   ARG 100           HE       ARG 100 -16.256   6.885   6.885
  749   1HH1  ARG 100          1HH2      ARG 100 -19.087   8.523   8.523
  750   2HH1  ARG 100          2HH2      ARG 100 -19.867   7.375   7.375
  751   1HH2  ARG 100          2HH1      ARG 100 -16.984   5.533   5.533
  752   2HH2  ARG 100          1HH1      ARG 100 -18.675   5.681   5.681

  Start of MODEL   20
    1    HA   PRO   6           HA       PRO   6 -14.185  -3.277  -3.277
    2   1HB   PRO   6          2HB       PRO   6 -11.637  -4.135  -4.135
    3   2HB   PRO   6          1HB       PRO   6 -13.023  -4.559  -4.559
    4   1HG   PRO   6          2HG       PRO   6 -11.642  -6.174  -6.174
    5   2HG   PRO   6          1HG       PRO   6 -12.327  -6.678  -6.678
    6   1HD   PRO   6          2HD       PRO   6 -13.562  -7.075  -7.075
    7   2HD   PRO   6          1HD       PRO   6 -14.428  -6.932  -6.932
    8    H    TRP   7           H        TRP   7 -11.693  -2.241  -2.241
    9    HA   TRP   7           HA       TRP   7 -11.725  -1.405  -1.405
   10   1HB   TRP   7          2HB       TRP   7 -10.906  -0.055  -0.055
   11   2HB   TRP   7          1HB       TRP   7  -9.570  -1.190  -1.190
   12    HD1  TRP   7           HD1      TRP   7 -10.692  -0.388  -0.388
   13    HE1  TRP   7           HE1      TRP   7  -8.879   0.993   0.993
   14    HE3  TRP   7           HE3      TRP   7  -7.612   0.631   0.631
   15    HZ2  TRP   7           HZ2      TRP   7  -6.449   2.357   2.357
   16    HZ3  TRP   7           HZ3      TRP   7  -5.557   1.978   1.978
   17    HH2  TRP   7           HH2      TRP   7  -4.976   2.842   2.842
   18    H    ALA   8           H        ALA   8 -10.938  -2.572  -2.572
   19    HA   ALA   8           HA       ALA   8  -9.774  -5.069  -5.069
   20   1HB   ALA   8          3HB       ALA   8  -9.174  -2.663  -2.663
   21   2HB   ALA   8          2HB       ALA   8  -8.794  -4.329  -4.329
   22   3HB   ALA   8          1HB       ALA   8 -10.475  -3.832  -3.832
   23    H    VAL   9           H        VAL   9  -8.205  -2.039  -2.039
   24    HA   VAL   9           HA       VAL   9  -5.585  -3.474  -3.474
   25    HB   VAL   9           HB       VAL   9  -6.355  -0.553  -0.553
   26   1HG1  VAL   9          2HG1      VAL   9  -3.616  -1.816  -1.816
   27   2HG1  VAL   9          1HG1      VAL   9  -3.912  -0.118  -0.118
   28   3HG1  VAL   9          3HG1      VAL   9  -4.428  -0.779  -0.779
   29   1HG2  VAL   9          2HG2      VAL   9  -6.335  -2.195  -2.195
   30   2HG2  VAL   9          1HG2      VAL   9  -5.439  -0.685  -0.685
   31   3HG2  VAL   9          3HG2      VAL   9  -4.581  -2.185  -2.185
   32    H    LYS  10           H        LYS  10  -4.975  -3.965  -3.965
   33    HA   LYS  10           HA       LYS  10  -6.480  -2.881  -2.881
   34   1HB   LYS  10          2HB       LYS  10  -4.603  -5.079  -5.079
   35   2HB   LYS  10          1HB       LYS  10  -4.500  -4.474  -4.474
   36   1HG   LYS  10          2HG       LYS  10  -6.438  -5.476  -5.476
   37   2HG   LYS  10          1HG       LYS  10  -7.268  -4.762  -4.762
   38   1HD   LYS  10          2HD       LYS  10  -7.360  -6.866  -6.866
   39   2HD   LYS  10          1HD       LYS  10  -5.641  -6.672  -6.672
   40   1HE   LYS  10          2HE       LYS  10  -6.182  -8.755  -8.755
   41   2HE   LYS  10          1HE       LYS  10  -5.059  -7.662  -7.662
   42   1HZ   LYS  10          2HZ       LYS  10  -7.889  -7.109  -7.109
   43   2HZ   LYS  10          1HZ       LYS  10  -7.323  -8.531  -8.531
   44   3HZ   LYS  10          3HZ       LYS  10  -6.617  -7.040  -7.040
   45    HA   PRO  11           HA       PRO  11  -3.543   0.044   0.044
   46   1HB   PRO  11          2HB       PRO  11  -3.017  -0.725  -0.725
   47   2HB   PRO  11          1HB       PRO  11  -4.539   0.045   0.045
   48   1HG   PRO  11          2HG       PRO  11  -3.936  -2.851  -2.851
   49   2HG   PRO  11          1HG       PRO  11  -5.358  -1.915  -1.915
   50   1HD   PRO  11          2HD       PRO  11  -5.398  -3.511  -3.511
   51   2HD   PRO  11          1HD       PRO  11  -6.298  -1.978  -1.978
   52    H    GLU  12           H        GLU  12  -2.683  -3.331  -3.331
   53    HA   GLU  12           HA       GLU  12   0.167  -2.844  -2.844
   54   1HB   GLU  12          2HB       GLU  12   0.263  -5.230  -5.230
   55   2HB   GLU  12          1HB       GLU  12  -1.294  -4.803  -4.803
   56   1HG   GLU  12          2HG       GLU  12  -2.428  -5.271  -5.271
   57   2HG   GLU  12          1HG       GLU  12  -0.881  -5.621  -5.621
   58    H    ASP  13           H        ASP  13  -2.037  -3.296  -3.296
   59    HA   ASP  13           HA       ASP  13   0.048  -3.922  -3.922
   60   1HB   ASP  13          2HB       ASP  13  -2.917  -3.502  -3.502
   61   2HB   ASP  13          1HB       ASP  13  -2.116  -3.327  -3.327
   62    H    LYS  14           H        LYS  14  -1.985  -1.167  -1.167
   63    HA   LYS  14           HA       LYS  14  -0.890   0.640   0.640
   64   1HB   LYS  14          2HB       LYS  14  -3.115   0.665   0.665
   65   2HB   LYS  14          1HB       LYS  14  -2.133   1.450   1.450
   66   1HG   LYS  14          2HG       LYS  14  -1.617   2.629   2.629
   67   2HG   LYS  14          1HG       LYS  14  -3.339   2.680   2.680
   68   1HD   LYS  14          2HD       LYS  14  -1.934   3.355   3.355
   69   2HD   LYS  14          1HD       LYS  14  -1.253   4.317   4.317
   70   1HE   LYS  14          2HE       LYS  14  -3.918   4.534   4.534
   71   2HE   LYS  14          1HE       LYS  14  -3.951   4.447   4.447
   72   1HZ   LYS  14          1HZ       LYS  14  -1.801   6.017   6.017
   73   2HZ   LYS  14          3HZ       LYS  14  -2.881   6.509   6.509
   74   3HZ   LYS  14          2HZ       LYS  14  -3.345   6.587   6.587
   75    H    ALA  15           H        ALA  15   0.193  -0.603  -0.603
   76    HA   ALA  15           HA       ALA  15   1.860   1.609   1.609
   77   1HB   ALA  15          1HB       ALA  15   1.026  -0.921  -0.921
   78   2HB   ALA  15          3HB       ALA  15   2.773  -1.066  -1.066
   79   3HB   ALA  15          2HB       ALA  15   2.099   0.190   0.190
   80    H    LYS  16           H        LYS  16   2.198  -1.160  -1.160
   81    HA   LYS  16           HA       LYS  16   5.069  -0.733  -0.733
   82   1HB   LYS  16          2HB       LYS  16   3.048  -2.407  -2.407
   83   2HB   LYS  16          1HB       LYS  16   4.791  -2.674  -2.674
   84   1HG   LYS  16          2HG       LYS  16   4.572  -3.097  -3.097
   85   2HG   LYS  16          1HG       LYS  16   2.840  -2.795  -2.795
   86   1HD   LYS  16          2HD       LYS  16   3.536  -5.255  -5.255
   87   2HD   LYS  16          1HD       LYS  16   2.480  -4.733  -4.733
   88   1HE   LYS  16          2HE       LYS  16   4.356  -4.557  -4.557
   89   2HE   LYS  16          1HE       LYS  16   5.508  -4.866  -4.866
   90   1HZ   LYS  16          1HZ       LYS  16   3.319  -6.768  -6.768
   91   2HZ   LYS  16          3HZ       LYS  16   4.557  -6.814  -6.814
   92   3HZ   LYS  16          2HZ       LYS  16   4.924  -7.041  -7.041
   93    H    TYR  17           H        TYR  17   1.954  -0.311  -0.311
   94    HA   TYR  17           HA       TYR  17   2.930   0.900   0.900
   95   1HB   TYR  17          2HB       TYR  17   0.359   1.447   1.447
   96   2HB   TYR  17          1HB       TYR  17   0.623   1.675   1.675
   97    HD1  TYR  17           HD2      TYR  17   2.426  -1.176  -1.176
   98    HD2  TYR  17           HD1      TYR  17  -1.659   0.152   0.152
   99    HE1  TYR  17           HE2      TYR  17   1.665  -3.492  -3.492
  100    HE2  TYR  17           HE1      TYR  17  -2.424  -2.163  -2.163
  101    HH   TYR  17           HH       TYR  17  -0.162  -4.713  -4.713
  102    H    ASP  18           H        ASP  18   2.731   1.880   1.880
  103    HA   ASP  18           HA       ASP  18   2.778   4.780   4.780
  104   1HB   ASP  18          2HB       ASP  18   1.574   4.131   4.131
  105   2HB   ASP  18          1HB       ASP  18   2.808   2.971   2.971
  106    H    ALA  19           H        ALA  19   5.039   2.183   2.183
  107    HA   ALA  19           HA       ALA  19   7.281   4.009   4.009
  108   1HB   ALA  19          1HB       ALA  19   6.706   1.099   1.099
  109   2HB   ALA  19          3HB       ALA  19   8.347   1.544   1.544
  110   3HB   ALA  19          2HB       ALA  19   7.728   1.999   1.999
  111    H    ILE  20           H        ILE  20   5.830   2.248   2.248
  112    HA   ILE  20           HA       ILE  20   7.954   2.741   2.741
  113    HB   ILE  20           HB       ILE  20   5.125   1.669   1.669
  114   1HG1  ILE  20          2HG1      ILE  20   7.605   0.257   0.257
  115   2HG1  ILE  20          1HG1      ILE  20   7.262   0.381   0.381
  116   1HG2  ILE  20          2HG2      ILE  20   5.621   2.952   2.952
  117   2HG2  ILE  20          1HG2      ILE  20   6.876   1.757   1.757
  118   3HG2  ILE  20          3HG2      ILE  20   5.190   1.258   1.258
  119   1HD1  ILE  20          2HD1      ILE  20   5.186  -0.610  -0.610
  120   2HD1  ILE  20          1HD1      ILE  20   6.359  -1.703  -1.703
  121   3HD1  ILE  20          3HD1      ILE  20   5.222  -0.814  -0.814
  122    H    PHE  21           H        PHE  21   4.909   4.136   4.136
  123    HA   PHE  21           HA       PHE  21   4.593   6.049   6.049
  124   1HB   PHE  21          2HB       PHE  21   2.636   5.690   5.690
  125   2HB   PHE  21          1HB       PHE  21   3.496   5.455   5.455
  126    HD1  PHE  21           HD2      PHE  21   4.473   7.465   7.465
  127    HD2  PHE  21           HD1      PHE  21   1.726   7.815   7.815
  128    HE1  PHE  21           HE2      PHE  21   3.991   9.803   9.803
  129    HE2  PHE  21           HE1      PHE  21   1.238  10.155  10.155
  130    HZ   PHE  21           HZ       PHE  21   2.378  11.150  11.150
  131    H    ASP  22           H        ASP  22   6.052   6.098   6.098
  132    HA   ASP  22           HA       ASP  22   6.970   8.880   8.880
  133   1HB   ASP  22          2HB       ASP  22   6.170   8.103   8.103
  134   2HB   ASP  22          1HB       ASP  22   7.256   6.710   6.710
  135    H    SER  23           H        SER  23   8.003   6.029   6.029
  136    HA   SER  23           HA       SER  23  10.913   6.464   6.464
  137   1HB   SER  23          2HB       SER  23   9.107   4.344   4.344
  138   2HB   SER  23          1HB       SER  23  10.772   4.384   4.384
  139    HG   SER  23           HG       SER  23  11.381   3.639   3.639
  140    H    LEU  24           H        LEU  24   8.530   7.702   7.702
  141    HA   LEU  24           HA       LEU  24  10.273   8.080   8.080
  142   1HB   LEU  24          2HB       LEU  24   7.423   8.823   8.823
  143   2HB   LEU  24          1HB       LEU  24   8.368   7.829   7.829
  144    HG   LEU  24           HG       LEU  24   7.306   6.871   6.871
  145   1HD1  LEU  24          2HD1      LEU  24   5.731   7.472   7.472
  146   2HD1  LEU  24          1HD1      LEU  24   6.210   5.829   5.829
  147   3HD1  LEU  24          3HD1      LEU  24   5.393   6.138   6.138
  148   1HD2  LEU  24          3HD2      LEU  24   9.169   5.830   5.830
  149   2HD2  LEU  24          2HD2      LEU  24   8.727   5.163   5.163
  150   3HD2  LEU  24          1HD2      LEU  24   7.771   4.765   4.765
  151    H    SER  25           H        SER  25   9.297   9.533   9.533
  152    HA   SER  25           HA       SER  25   9.589  11.766  11.766
  153   1HB   SER  25          2HB       SER  25  10.881  13.126  13.126
  154   2HB   SER  25          1HB       SER  25  11.131  11.627  11.627
  155    HG   SER  25           HG       SER  25  10.027  13.877  13.877
  156    HA   PRO  26           HA       PRO  26   5.239  12.234  12.234
  157   1HB   PRO  26          2HB       PRO  26   4.354  12.698  12.698
  158   2HB   PRO  26          1HB       PRO  26   4.618  11.062  11.062
  159   1HG   PRO  26          2HG       PRO  26   6.339  12.698  12.698
  160   2HG   PRO  26          1HG       PRO  26   6.008  10.959  10.959
  161   1HD   PRO  26          2HD       PRO  26   8.300  12.052  12.052
  162   2HD   PRO  26          1HD       PRO  26   7.633  10.492  10.492
  163    H    VAL  27           H        VAL  27   4.107  14.166  14.166
  164    HA   VAL  27           HA       VAL  27   5.471  16.636  16.636
  165    HB   VAL  27           HB       VAL  27   3.800  16.079  16.079
  166   1HG1  VAL  27          1HG1      VAL  27   4.720  18.583  18.583
  167   2HG1  VAL  27          3HG1      VAL  27   4.960  18.492  18.492
  168   3HG1  VAL  27          2HG1      VAL  27   3.343  18.308  18.308
  169   1HG2  VAL  27          2HG2      VAL  27   6.151  15.171  15.171
  170   2HG2  VAL  27          1HG2      VAL  27   5.884  16.377  16.377
  171   3HG2  VAL  27          3HG2      VAL  27   6.730  16.822  16.822
  172    H    ASN  28           H        ASN  28   4.260  17.109  17.109
  173    HA   ASN  28           HA       ASN  28   2.367  17.819  17.819
  174   1HB   ASN  28          2HB       ASN  28   2.219  19.152  19.152
  175   2HB   ASN  28          1HB       ASN  28   1.024  17.962  17.962
  176   1HD2  ASN  28          1HD2      ASN  28  -0.786  17.598  17.598
  177   2HD2  ASN  28          2HD2      ASN  28  -1.375  19.008  19.008
  178    H    GLY  29           H        GLY  29   2.826  14.952  14.952
  179   1HA   GLY  29          2HA       GLY  29   1.678  12.964  12.964
  180   2HA   GLY  29          1HA       GLY  29   0.194  13.910  13.910
  181    H    PHE  30           H        PHE  30   2.293  14.026  14.026
  182    HA   PHE  30           HA       PHE  30   0.306  12.426  12.426
  183   1HB   PHE  30          2HB       PHE  30   1.290  15.230  15.230
  184   2HB   PHE  30          1HB       PHE  30   0.242  14.276  14.276
  185    HD1  PHE  30           HD2      PHE  30  -1.674  13.025  13.025
  186    HD2  PHE  30           HD1      PHE  30   0.111  16.862  16.862
  187    HE1  PHE  30           HE2      PHE  30  -3.675  13.724  13.724
  188    HE2  PHE  30           HE1      PHE  30  -1.874  17.567  17.567
  189    HZ   PHE  30           HZ       PHE  30  -3.772  15.999  15.999
  190    H    LEU  31           H        LEU  31   1.104  11.691  11.691
  191    HA   LEU  31           HA       LEU  31   4.051  11.980  11.980
  192   1HB   LEU  31          2HB       LEU  31   2.360   9.465   9.465
  193   2HB   LEU  31          1HB       LEU  31   3.979   9.513   9.513
  194    HG   LEU  31           HG       LEU  31   3.490  10.539  10.539
  195   1HD1  LEU  31          2HD1      LEU  31   2.610   8.226   8.226
  196   2HD1  LEU  31          1HD1      LEU  31   4.139   7.683   7.683
  197   3HD1  LEU  31          3HD1      LEU  31   4.086   8.310   8.310
  198   1HD2  LEU  31          3HD2      LEU  31   5.797   9.820   9.820
  199   2HD2  LEU  31          2HD2      LEU  31   5.659  11.093  11.093
  200   3HD2  LEU  31          1HD2      LEU  31   5.952   9.425   9.425
  201    H    SER  32           H        SER  32   4.491  12.444  12.444
  202    HA   SER  32           HA       SER  32   2.254  12.718  12.718
  203   1HB   SER  32          2HB       SER  32   4.722  13.932  13.932
  204   2HB   SER  32          1HB       SER  32   4.884  13.143  13.143
  205    HG   SER  32           HG       SER  32   2.778  14.154  14.154
  206    H    GLY  33           H        GLY  33   2.057  11.669  11.669
  207   1HA   GLY  33          2HA       GLY  33   2.655   8.929   8.929
  208   2HA   GLY  33          1HA       GLY  33   2.348   9.941   9.941
  209    H    ASP  34           H        ASP  34   4.715  11.682  11.682
  210    HA   ASP  34           HA       ASP  34   6.715  10.350  10.350
  211   1HB   ASP  34          2HB       ASP  34   6.371  12.806  12.806
  212   2HB   ASP  34          1HB       ASP  34   6.893  12.727  12.727
  213    H    LYS  35           H        LYS  35   5.802   9.985   9.985
  214    HA   LYS  35           HA       LYS  35   8.512   8.956   8.956
  215   1HB   LYS  35          2HB       LYS  35   6.278   9.537   9.537
  216   2HB   LYS  35          1HB       LYS  35   8.018   9.676   9.676
  217   1HG   LYS  35          2HG       LYS  35   8.072  11.626  11.626
  218   2HG   LYS  35          1HG       LYS  35   6.327  11.489  11.489
  219   1HD   LYS  35          2HD       LYS  35   6.763  13.184  13.184
  220   2HD   LYS  35          1HD       LYS  35   6.047  11.773  11.773
  221   1HE   LYS  35          2HE       LYS  35   7.835  12.046  12.046
  222   2HE   LYS  35          1HE       LYS  35   8.677  11.116  11.116
  223   1HZ   LYS  35          2HZ       LYS  35   8.422  14.077  14.077
  224   2HZ   LYS  35          1HZ       LYS  35   9.803  13.235  13.235
  225   3HZ   LYS  35          3HZ       LYS  35   9.315  13.140  13.140
  226    H    VAL  36           H        VAL  36   5.036   8.383   8.383
  227    HA   VAL  36           HA       VAL  36   5.314   5.675   5.675
  228    HB   VAL  36           HB       VAL  36   2.994   7.154   7.154
  229   1HG1  VAL  36          1HG1      VAL  36   2.849   4.621   4.621
  230   2HG1  VAL  36          3HG1      VAL  36   2.926   4.905   4.905
  231   3HG1  VAL  36          2HG1      VAL  36   1.585   5.557   5.557
  232   1HG2  VAL  36          1HG2      VAL  36   4.408   7.461   7.461
  233   2HG2  VAL  36          3HG2      VAL  36   3.182   8.498   8.498
  234   3HG2  VAL  36          2HG2      VAL  36   2.697   7.105   7.105
  235    H    LYS  37           H        LYS  37   4.322   7.090   7.090
  236    HA   LYS  37           HA       LYS  37   3.701   4.817   4.817
  237   1HB   LYS  37          2HB       LYS  37   3.793   7.231   7.231
  238   2HB   LYS  37          1HB       LYS  37   5.524   7.013   7.013
  239   1HG   LYS  37          2HG       LYS  37   4.857   4.951   4.951
  240   2HG   LYS  37          1HG       LYS  37   3.241   5.658   5.658
  241   1HD   LYS  37          2HD       LYS  37   3.843   7.167   7.167
  242   2HD   LYS  37          1HD       LYS  37   5.233   7.675   7.675
  243   1HE   LYS  37          2HE       LYS  37   6.412   6.778   6.778
  244   2HE   LYS  37          1HE       LYS  37   6.115   5.251   5.251
  245   1HZ   LYS  37          1HZ       LYS  37   3.921   5.202   5.202
  246   2HZ   LYS  37          3HZ       LYS  37   4.511   6.450   6.450
  247   3HZ   LYS  37          2HZ       LYS  37   5.291   4.939   4.939
  248    HA   PRO  38           HA       PRO  38   8.345   3.883   3.883
  249   1HB   PRO  38          2HB       PRO  38  10.135   4.954   4.954
  250   2HB   PRO  38          1HB       PRO  38   9.709   5.740   5.740
  251   1HG   PRO  38          2HG       PRO  38   8.713   6.297   6.297
  252   2HG   PRO  38          1HG       PRO  38   9.136   7.428   7.428
  253   1HD   PRO  38          2HD       PRO  38   6.586   6.785   6.785
  254   2HD   PRO  38          1HD       PRO  38   7.114   7.186   7.186
  255    H    VAL  39           H        VAL  39   7.296   4.497   4.497
  256    HA   VAL  39           HA       VAL  39   8.575   2.288   2.288
  257    HB   VAL  39           HB       VAL  39   6.289   4.168   4.168
  258   1HG1  VAL  39          3HG1      VAL  39   5.464   1.930   1.930
  259   2HG1  VAL  39          2HG1      VAL  39   6.850   1.845   1.845
  260   3HG1  VAL  39          1HG1      VAL  39   5.635   3.107   3.107
  261   1HG2  VAL  39          3HG2      VAL  39   9.011   3.978   3.978
  262   2HG2  VAL  39          2HG2      VAL  39   7.847   5.199   5.199
  263   3HG2  VAL  39          1HG2      VAL  39   8.086   3.745   3.745
  264    H    LEU  40           H        LEU  40   5.602   2.601   2.601
  265    HA   LEU  40           HA       LEU  40   4.609  -0.059  -0.059
  266   1HB   LEU  40          2HB       LEU  40   3.866   1.863   1.863
  267   2HB   LEU  40          1HB       LEU  40   2.892   0.506   0.506
  268    HG   LEU  40           HG       LEU  40   3.609   3.018   3.018
  269   1HD1  LEU  40          1HD1      LEU  40   1.113   1.768   1.768
  270   2HD1  LEU  40          3HD1      LEU  40   1.006   2.809   2.809
  271   3HD1  LEU  40          2HD1      LEU  40   1.654   3.445   3.445
  272   1HD2  LEU  40          3HD2      LEU  40   2.654   0.338   0.338
  273   2HD2  LEU  40          2HD2      LEU  40   3.893   1.388   1.388
  274   3HD2  LEU  40          1HD2      LEU  40   2.184   1.810   1.810
  275    H    LEU  41           H        LEU  41   6.865   1.272   1.272
  276    HA   LEU  41           HA       LEU  41   6.671  -0.799  -0.799
  277   1HB   LEU  41          2HB       LEU  41   8.667   1.351   1.351
  278   2HB   LEU  41          1HB       LEU  41   8.909   0.276   0.276
  279    HG   LEU  41           HG       LEU  41   6.424   1.960   1.960
  280   1HD1  LEU  41          3HD1      LEU  41   8.935   2.948   2.948
  281   2HD1  LEU  41          2HD1      LEU  41   8.320   2.662   2.662
  282   3HD1  LEU  41          1HD1      LEU  41   7.434   3.712   3.712
  283   1HD2  LEU  41          3HD2      LEU  41   6.735  -0.243  -0.243
  284   2HD2  LEU  41          2HD2      LEU  41   5.731   1.119   1.119
  285   3HD2  LEU  41          1HD2      LEU  41   7.379   0.966   0.966
  286    H    ASN  42           H        ASN  42   8.296  -0.368  -0.368
  287    HA   ASN  42           HA       ASN  42  10.368  -2.329  -2.329
  288   1HB   ASN  42          2HB       ASN  42   8.932  -1.357  -1.357
  289   2HB   ASN  42          1HB       ASN  42  10.475  -2.214  -2.214
  290   1HD2  ASN  42          1HD2      ASN  42   8.891   0.835   0.835
  291   2HD2  ASN  42          2HD2      ASN  42  10.317   1.733   1.733
  292    H    SER  43           H        SER  43   6.973  -2.561  -2.561
  293    HA   SER  43           HA       SER  43   6.830  -5.138  -5.138
  294   1HB   SER  43          2HB       SER  43   4.711  -4.134  -4.134
  295   2HB   SER  43          1HB       SER  43   4.556  -4.783  -4.783
  296    HG   SER  43           HG       SER  43   5.228  -2.859  -2.859
  297    H    LYS  44           H        LYS  44   8.019  -4.345  -4.345
  298    HA   LYS  44           HA       LYS  44   8.495  -5.663  -5.663
  299   1HB   LYS  44          2HB       LYS  44   8.620  -7.264  -7.264
  300   2HB   LYS  44          1HB       LYS  44   7.438  -8.125  -8.125
  301   1HG   LYS  44          2HG       LYS  44   9.141  -7.782  -7.782
  302   2HG   LYS  44          1HG       LYS  44  10.303  -7.454  -7.454
  303   1HD   LYS  44          2HD       LYS  44  10.247  -9.621  -9.621
  304   2HD   LYS  44          1HD       LYS  44   8.589  -9.888  -9.888
  305   1HE   LYS  44          2HE       LYS  44  10.267  -9.382  -9.382
  306   2HE   LYS  44          1HE       LYS  44  10.957 -10.699 -10.699
  307   1HZ   LYS  44          1HZ       LYS  44   8.398 -11.318 -11.318
  308   2HZ   LYS  44          3HZ       LYS  44   8.366 -10.542 -10.542
  309   3HZ   LYS  44          2HZ       LYS  44   9.381 -11.882 -11.882
  310    H    LEU  45           H        LEU  45   5.669  -4.664  -4.664
  311    HA   LEU  45           HA       LEU  45   3.936  -6.504  -6.504
  312   1HB   LEU  45          2HB       LEU  45   3.641  -4.228  -4.228
  313   2HB   LEU  45          1HB       LEU  45   2.302  -4.577  -4.577
  314    HG   LEU  45           HG       LEU  45   3.614  -6.607  -6.607
  315   1HD1  LEU  45          2HD1      LEU  45   1.293  -4.752  -4.752
  316   2HD1  LEU  45          1HD1      LEU  45   1.125  -6.379  -6.379
  317   3HD1  LEU  45          3HD1      LEU  45   2.424  -5.328  -5.328
  318   1HD2  LEU  45          2HD2      LEU  45   2.230  -7.074  -7.074
  319   2HD2  LEU  45          1HD2      LEU  45   2.253  -8.181  -8.181
  320   3HD2  LEU  45          3HD2      LEU  45   0.918  -7.047  -7.047
  321    HA   PRO  46           HA       PRO  46   3.983  -3.867  -3.867
  322   1HB   PRO  46          2HB       PRO  46   1.433  -4.204  -4.204
  323   2HB   PRO  46          1HB       PRO  46   2.691  -5.445  -5.445
  324   1HG   PRO  46          2HG       PRO  46   0.420  -5.275  -5.275
  325   2HG   PRO  46          1HG       PRO  46   1.174  -6.692  -6.692
  326   1HD   PRO  46          2HD       PRO  46   1.618  -5.863  -5.863
  327   2HD   PRO  46          1HD       PRO  46   2.721  -6.891  -6.891
  328    H    VAL  47           H        VAL  47   2.981  -1.849  -1.849
  329    HA   VAL  47           HA       VAL  47   2.331   0.024   0.024
  330    HB   VAL  47           HB       VAL  47   2.273  -0.084  -0.084
  331   1HG1  VAL  47          3HG1      VAL  47   1.170   2.116   2.116
  332   2HG1  VAL  47          2HG1      VAL  47   1.772   2.433   2.433
  333   3HG1  VAL  47          1HG1      VAL  47   0.405   1.345   1.345
  334   1HG2  VAL  47          1HG2      VAL  47   4.077   0.730   0.730
  335   2HG2  VAL  47          3HG2      VAL  47   4.381   0.617   0.617
  336   3HG2  VAL  47          2HG2      VAL  47   3.728   2.106   2.106
  337    H    ASP  48           H        ASP  48   0.385  -2.364  -2.364
  338    HA   ASP  48           HA       ASP  48  -2.153  -0.963  -0.963
  339   1HB   ASP  48          2HB       ASP  48  -1.222  -3.197  -3.197
  340   2HB   ASP  48          1HB       ASP  48  -1.885  -3.911  -3.911
  341    H    ILE  49           H        ILE  49  -0.380  -3.046  -3.046
  342    HA   ILE  49           HA       ILE  49  -2.451  -3.125  -3.125
  343    HB   ILE  49           HB       ILE  49   0.537  -3.377  -3.377
  344   1HG1  ILE  49          2HG1      ILE  49   0.000  -4.740  -4.740
  345   2HG1  ILE  49          1HG1      ILE  49   0.237  -5.795  -5.795
  346   1HG2  ILE  49          2HG2      ILE  49  -1.933  -4.124  -4.124
  347   2HG2  ILE  49          1HG2      ILE  49  -0.642  -5.326  -5.326
  348   3HG2  ILE  49          3HG2      ILE  49  -0.339  -3.700  -3.700
  349   1HD1  ILE  49          3HD1      ILE  49  -2.461  -5.194  -5.194
  350   2HD1  ILE  49          2HD1      ILE  49  -2.174  -5.348  -5.348
  351   3HD1  ILE  49          1HD1      ILE  49  -1.771  -6.681  -6.681
  352    H    LEU  50           H        LEU  50   0.536  -1.307  -1.307
  353    HA   LEU  50           HA       LEU  50   0.242   0.437   0.437
  354   1HB   LEU  50          2HB       LEU  50   1.635   1.124   1.124
  355   2HB   LEU  50          1HB       LEU  50   2.117   1.546   1.546
  356    HG   LEU  50           HG       LEU  50   2.327  -1.131  -1.131
  357   1HD1  LEU  50          2HD1      LEU  50   4.246   0.679   0.679
  358   2HD1  LEU  50          1HD1      LEU  50   4.660  -0.931  -0.931
  359   3HD1  LEU  50          3HD1      LEU  50   4.228   0.343   0.343
  360   1HD2  LEU  50          1HD2      LEU  50   1.798  -0.559  -0.559
  361   2HD2  LEU  50          3HD2      LEU  50   1.730  -2.094  -2.094
  362   3HD2  LEU  50          2HD2      LEU  50   3.270  -1.495  -1.495
  363    H    GLY  51           H        GLY  51  -1.158   0.310   0.310
  364   1HA   GLY  51          2HA       GLY  51  -2.035   3.128   3.128
  365   2HA   GLY  51          1HA       GLY  51  -2.422   1.949   1.949
  366    H    ARG  52           H        ARG  52  -3.205  -0.069  -0.069
  367    HA   ARG  52           HA       ARG  52  -5.957   0.935   0.935
  368   1HB   ARG  52          2HB       ARG  52  -5.009  -1.362  -1.362
  369   2HB   ARG  52          1HB       ARG  52  -5.125  -1.850  -1.850
  370   1HG   ARG  52          2HG       ARG  52  -7.453  -1.203  -1.203
  371   2HG   ARG  52          1HG       ARG  52  -7.374  -0.538  -0.538
  372   1HD   ARG  52          2HD       ARG  52  -6.822  -3.452  -3.452
  373   2HD   ARG  52          1HD       ARG  52  -8.411  -2.838  -2.838
  374    HE   ARG  52           HE       ARG  52  -6.000  -2.287  -2.287
  375   1HH1  ARG  52          1HH2      ARG  52  -7.478  -4.992  -4.992
  376   2HH1  ARG  52          2HH2      ARG  52  -8.506  -4.666  -4.666
  377   1HH2  ARG  52          2HH1      ARG  52  -8.056  -1.229  -1.229
  378   2HH2  ARG  52          1HH1      ARG  52  -8.831  -2.535  -2.535
  379    H    VAL  53           H        VAL  53  -3.537  -0.983  -0.983
  380    HA   VAL  53           HA       VAL  53  -4.651  -0.828  -0.828
  381    HB   VAL  53           HB       VAL  53  -1.794  -0.644  -0.644
  382   1HG1  VAL  53          1HG1      VAL  53  -2.787  -0.062  -0.062
  383   2HG1  VAL  53          3HG1      VAL  53  -1.914  -1.593  -1.593
  384   3HG1  VAL  53          2HG1      VAL  53  -1.110  -0.142  -0.142
  385   1HG2  VAL  53          3HG2      VAL  53  -3.354  -2.722  -2.722
  386   2HG2  VAL  53          2HG2      VAL  53  -1.726  -2.966  -2.966
  387   3HG2  VAL  53          1HG2      VAL  53  -3.110  -2.922  -2.922
  388    H    TRP  54           H        TRP  54  -3.079   1.663   1.663
  389    HA   TRP  54           HA       TRP  54  -2.770   3.584   3.584
  390   1HB   TRP  54          2HB       TRP  54  -1.379   3.713   3.713
  391   2HB   TRP  54          1HB       TRP  54  -2.789   3.730   3.730
  392    HD1  TRP  54           HD1      TRP  54  -4.307   5.946   5.946
  393    HE1  TRP  54           HE1      TRP  54  -3.738   8.391   8.391
  394    HE3  TRP  54           HE3      TRP  54   0.059   5.235   5.235
  395    HZ2  TRP  54           HZ2      TRP  54  -1.697   9.844   9.844
  396    HZ3  TRP  54           HZ3      TRP  54   1.293   7.167   7.167
  397    HH2  TRP  54           HH2      TRP  54   0.424   9.470   9.470
  398    H    GLU  55           H        GLU  55  -4.962   3.561   3.561
  399    HA   GLU  55           HA       GLU  55  -6.644   5.666   5.666
  400   1HB   GLU  55          2HB       GLU  55  -7.193   2.958   2.958
  401   2HB   GLU  55          1HB       GLU  55  -8.412   4.231   4.231
  402   1HG   GLU  55          2HG       GLU  55  -5.747   5.045   5.045
  403   2HG   GLU  55          1HG       GLU  55  -6.656   3.944   3.944
  404    H    LEU  56           H        LEU  56  -6.813   2.323   2.323
  405    HA   LEU  56           HA       LEU  56  -9.115   2.878   2.878
  406   1HB   LEU  56          2HB       LEU  56  -7.145   0.574   0.574
  407   2HB   LEU  56          1HB       LEU  56  -8.809   0.572   0.572
  408    HG   LEU  56           HG       LEU  56  -8.502   1.344   1.344
  409   1HD1  LEU  56          2HD1      LEU  56  -6.759  -0.440  -0.440
  410   2HD1  LEU  56          1HD1      LEU  56  -8.034  -1.523  -1.523
  411   3HD1  LEU  56          3HD1      LEU  56  -8.062  -0.905  -0.905
  412   1HD2  LEU  56          3HD2      LEU  56 -10.384  -0.026  -0.026
  413   2HD2  LEU  56          2HD2      LEU  56 -10.721   0.942   0.942
  414   3HD2  LEU  56          1HD2      LEU  56 -10.280  -0.759  -0.759
  415    H    SER  57           H        SER  57  -5.704   3.269   3.269
  416    HA   SER  57           HA       SER  57  -5.602   3.286   3.286
  417   1HB   SER  57          2HB       SER  57  -3.660   2.370   2.370
  418   2HB   SER  57          1HB       SER  57  -3.724   3.361   3.361
  419    HG   SER  57           HG       SER  57  -2.199   4.372   4.372
  420    H    ASP  58           H        ASP  58  -5.433   5.507   5.507
  421    HA   ASP  58           HA       ASP  58  -4.838   7.846   7.846
  422   1HB   ASP  58          2HB       ASP  58  -4.295   7.316   7.316
  423   2HB   ASP  58          1HB       ASP  58  -5.959   7.813   7.813
  424    H    ILE  59           H        ILE  59  -6.682   7.422   7.422
  425    HA   ILE  59           HA       ILE  59  -9.370   7.312   7.312
  426    HB   ILE  59           HB       ILE  59  -7.822   9.081   9.081
  427   1HG1  ILE  59          2HG1      ILE  59  -7.357   6.644   6.644
  428   2HG1  ILE  59          1HG1      ILE  59  -8.174   7.225   7.225
  429   1HG2  ILE  59          3HG2      ILE  59 -10.193   9.801   9.801
  430   2HG2  ILE  59          2HG2      ILE  59 -10.705   8.169   8.169
  431   3HG2  ILE  59          1HG2      ILE  59  -9.844   9.162   9.162
  432   1HD1  ILE  59          3HD1      ILE  59 -10.363   6.540   6.540
  433   2HD1  ILE  59          2HD1      ILE  59  -9.364   5.683   5.683
  434   3HD1  ILE  59          1HD1      ILE  59  -9.316   5.223   5.223
  435    H    ASP  60           H        ASP  60  -7.283  10.110  10.110
  436    HA   ASP  60           HA       ASP  60  -9.633  11.778  11.778
  437   1HB   ASP  60          2HB       ASP  60  -6.697  12.503  12.503
  438   2HB   ASP  60          1HB       ASP  60  -8.077  13.588  13.588
  439    H    HIS  61           H        HIS  61  -6.931  10.048  10.048
  440    HA   HIS  61           HA       HIS  61  -6.478   9.585   9.585
  441   1HB   HIS  61          2HB       HIS  61  -9.096  10.974  10.974
  442   2HB   HIS  61          1HB       HIS  61  -8.366   9.611   9.611
  443    HD1  HIS  61           HD1      HIS  61  -8.170   7.342   7.342
  444    HD2  HIS  61           HD2      HIS  61 -10.984  10.203  10.203
  445    HE1  HIS  61           HE1      HIS  61  -9.805   6.169   6.169
  446    H    ASP  62           H        ASP  62  -5.386  11.918  11.918
  447    HA   ASP  62           HA       ASP  62  -5.696  13.972  13.972
  448   1HB   ASP  62          2HB       ASP  62  -5.077  15.561  15.561
  449   2HB   ASP  62          1HB       ASP  62  -6.306  14.494  14.494
  450    H    GLY  63           H        GLY  63  -3.641  11.538  11.538
  451   1HA   GLY  63          2HA       GLY  63  -1.572  11.144  11.144
  452   2HA   GLY  63          1HA       GLY  63  -1.314  12.889  12.889
  453    H    MET  64           H        MET  64  -2.451  12.246  12.246
  454    HA   MET  64           HA       MET  64   0.278  11.712  11.712
  455   1HB   MET  64          2HB       MET  64  -1.537  13.994  13.994
  456   2HB   MET  64          1HB       MET  64  -1.043  13.375  13.375
  457   1HG   MET  64          2HG       MET  64   1.305  13.476  13.476
  458   2HG   MET  64          1HG       MET  64   0.823  14.075  14.075
  459   1HE   MET  64          3HE       MET  64   2.872  15.494  15.494
  460   2HE   MET  64          2HE       MET  64   2.629  16.897  16.897
  461   3HE   MET  64          1HE       MET  64   2.635  15.278  15.278
  462    H    LEU  65           H        LEU  65   0.244  10.684  10.684
  463    HA   LEU  65           HA       LEU  65  -2.366   9.324   9.324
  464   1HB   LEU  65          2HB       LEU  65   0.506   8.428   8.428
  465   2HB   LEU  65          1HB       LEU  65  -0.602   7.569   7.569
  466    HG   LEU  65           HG       LEU  65  -0.813   7.919   7.919
  467   1HD1  LEU  65          1HD1      LEU  65   0.518   6.034   6.034
  468   2HD1  LEU  65          3HD1      LEU  65  -1.095   5.344   5.344
  469   3HD1  LEU  65          2HD1      LEU  65  -0.417   5.637   5.637
  470   1HD2  LEU  65          2HD2      LEU  65  -2.873   7.115   7.115
  471   2HD2  LEU  65          1HD2      LEU  65  -3.045   8.229   8.229
  472   3HD2  LEU  65          3HD2      LEU  65  -2.951   6.493   6.493
  473    H    ASP  66           H        ASP  66  -3.108   9.955   9.955
  474    HA   ASP  66           HA       ASP  66  -1.331  11.253  11.253
  475   1HB   ASP  66          2HB       ASP  66  -4.170  10.308  10.308
  476   2HB   ASP  66          1HB       ASP  66  -3.360  11.704  11.704
  477    H    ARG  67           H        ARG  67  -0.956  10.352  10.352
  478    HA   ARG  67           HA       ARG  67   0.064   7.821   7.821
  479   1HB   ARG  67          2HB       ARG  67  -0.576   8.036   8.036
  480   2HB   ARG  67          1HB       ARG  67   0.220   9.455   9.455
  481   1HG   ARG  67          2HG       ARG  67  -1.807  10.654  10.654
  482   2HG   ARG  67          1HG       ARG  67  -2.780   9.195   9.195
  483   1HD   ARG  67          2HD       ARG  67  -2.570   9.174   9.174
  484   2HD   ARG  67          1HD       ARG  67  -0.936   9.869   9.869
  485    HE   ARG  67           HE       ARG  67  -2.606  11.864  11.864
  486   1HH1  ARG  67          1HH2      ARG  67  -1.867  10.233  10.233
  487   2HH1  ARG  67          2HH2      ARG  67  -2.713  11.362  11.362
  488   1HH2  ARG  67          2HH1      ARG  67  -3.901  13.245  13.245
  489   2HH2  ARG  67          1HH1      ARG  67  -3.863  13.067  13.067
  490    H    ASP  68           H        ASP  68  -3.387   8.613   8.613
  491    HA   ASP  68           HA       ASP  68  -4.124   5.864   5.864
  492   1HB   ASP  68          2HB       ASP  68  -5.712   8.303   8.303
  493   2HB   ASP  68          1HB       ASP  68  -6.424   6.819   6.819
  494    H    GLU  69           H        GLU  69  -3.948   7.841   7.841
  495    HA   GLU  69           HA       GLU  69  -5.369   5.937   5.937
  496   1HB   GLU  69          2HB       GLU  69  -3.440   8.155   8.155
  497   2HB   GLU  69          1HB       GLU  69  -4.720   7.490   7.490
  498   1HG   GLU  69          2HG       GLU  69  -6.414   8.325   8.325
  499   2HG   GLU  69          1HG       GLU  69  -5.130   8.990   8.990
  500    H    PHE  70           H        PHE  70  -1.993   6.834   6.834
  501    HA   PHE  70           HA       PHE  70  -0.718   5.114   5.114
  502   1HB   PHE  70          2HB       PHE  70   0.246   6.953   6.953
  503   2HB   PHE  70          1HB       PHE  70   0.189   5.796   5.796
  504    HD1  PHE  70           HD2      PHE  70   1.646   3.820   3.820
  505    HD2  PHE  70           HD1      PHE  70   1.803   6.674   6.674
  506    HE1  PHE  70           HE2      PHE  70   3.799   2.850   2.850
  507    HE2  PHE  70           HE1      PHE  70   3.954   5.703   5.703
  508    HZ   PHE  70           HZ       PHE  70   4.950   3.792   3.792
  509    H    ALA  71           H        ALA  71  -2.146   4.542   4.542
  510    HA   ALA  71           HA       ALA  71  -1.082   1.947   1.947
  511   1HB   ALA  71          2HB       ALA  71  -2.471   3.596   3.596
  512   2HB   ALA  71          1HB       ALA  71  -3.880   2.861   2.861
  513   3HB   ALA  71          3HB       ALA  71  -2.793   1.874   1.874
  514    H    VAL  72           H        VAL  72  -4.199   2.835   2.835
  515    HA   VAL  72           HA       VAL  72  -5.129   0.258   0.258
  516    HB   VAL  72           HB       VAL  72  -5.357   2.915   2.915
  517   1HG1  VAL  72          1HG1      VAL  72  -6.793   0.290   0.290
  518   2HG1  VAL  72          3HG1      VAL  72  -7.590   1.815   1.815
  519   3HG1  VAL  72          2HG1      VAL  72  -6.108   1.352   1.352
  520   1HG2  VAL  72          2HG2      VAL  72  -6.113   2.735   2.735
  521   2HG2  VAL  72          1HG2      VAL  72  -7.367   3.240   3.240
  522   3HG2  VAL  72          3HG2      VAL  72  -7.321   1.575   1.575
  523    H    ALA  73           H        ALA  73  -2.614   2.175   2.175
  524    HA   ALA  73           HA       ALA  73  -2.529   0.492   0.492
  525   1HB   ALA  73          3HB       ALA  73  -1.641   3.062   3.062
  526   2HB   ALA  73          2HB       ALA  73  -0.263   2.182   2.182
  527   3HB   ALA  73          1HB       ALA  73  -1.708   2.446   2.446
  528    H    MET  74           H        MET  74  -1.094   0.269   0.269
  529    HA   MET  74           HA       MET  74   1.356  -1.036  -1.036
  530   1HB   MET  74          2HB       MET  74   0.376  -0.991  -0.991
  531   2HB   MET  74          1HB       MET  74   2.034  -1.067  -1.067
  532   1HG   MET  74          2HG       MET  74   0.195   1.286   1.286
  533   2HG   MET  74          1HG       MET  74   1.885   1.160   1.160
  534   1HE   MET  74          2HE       MET  74   3.093  -0.276  -0.276
  535   2HE   MET  74          1HE       MET  74   2.973   0.067   0.067
  536   3HE   MET  74          3HE       MET  74   3.978   1.085   1.085
  537    H    PHE  75           H        PHE  75  -1.596  -2.069  -2.069
  538    HA   PHE  75           HA       PHE  75  -0.725  -4.857  -4.857
  539   1HB   PHE  75          2HB       PHE  75  -2.618  -5.182  -5.182
  540   2HB   PHE  75          1HB       PHE  75  -2.416  -3.446  -3.446
  541    HD1  PHE  75           HD2      PHE  75  -3.631  -1.878  -1.878
  542    HD2  PHE  75           HD1      PHE  75  -4.583  -6.039  -6.039
  543    HE1  PHE  75           HE2      PHE  75  -5.827  -1.482  -1.482
  544    HE2  PHE  75           HE1      PHE  75  -6.789  -5.648  -5.648
  545    HZ   PHE  75           HZ       PHE  75  -7.411  -3.372  -3.372
  546    H    LEU  76           H        LEU  76  -2.408  -2.679  -2.679
  547    HA   LEU  76           HA       LEU  76  -3.680  -4.723  -4.723
  548   1HB   LEU  76          2HB       LEU  76  -3.376  -1.802  -1.802
  549   2HB   LEU  76          1HB       LEU  76  -3.445  -2.426  -2.426
  550    HG   LEU  76           HG       LEU  76  -5.466  -2.904  -2.904
  551   1HD1  LEU  76          3HD1      LEU  76  -5.237  -1.066  -1.066
  552   2HD1  LEU  76          2HD1      LEU  76  -6.767  -1.942  -1.942
  553   3HD1  LEU  76          1HD1      LEU  76  -6.260  -0.955  -0.955
  554   1HD2  LEU  76          1HD2      LEU  76  -4.808  -4.429  -4.429
  555   2HD2  LEU  76          3HD2      LEU  76  -5.891  -4.848  -4.848
  556   3HD2  LEU  76          2HD2      LEU  76  -6.479  -3.864  -3.864
  557    H    VAL  77           H        VAL  77  -0.532  -3.288  -3.288
  558    HA   VAL  77           HA       VAL  77   0.283  -4.175  -4.175
  559    HB   VAL  77           HB       VAL  77   1.648  -2.745  -2.745
  560   1HG1  VAL  77          1HG1      VAL  77   2.686  -3.681  -3.681
  561   2HG1  VAL  77          3HG1      VAL  77   3.339  -2.219  -2.219
  562   3HG1  VAL  77          2HG1      VAL  77   3.464  -3.765  -3.765
  563   1HG2  VAL  77          3HG2      VAL  77  -0.174  -1.595  -1.595
  564   2HG2  VAL  77          2HG2      VAL  77   1.379  -0.771  -0.771
  565   3HG2  VAL  77          1HG2      VAL  77   0.938  -1.691  -1.691
  566    H    TYR  78           H        TYR  78   0.512  -5.182  -5.182
  567    HA   TYR  78           HA       TYR  78   2.564  -7.217  -7.217
  568   1HB   TYR  78          2HB       TYR  78   1.236  -6.014  -6.014
  569   2HB   TYR  78          1HB       TYR  78   1.748  -7.695  -7.695
  570    HD1  TYR  78           HD2      TYR  78   4.154  -8.033  -8.033
  571    HD2  TYR  78           HD1      TYR  78   2.814  -4.528  -4.528
  572    HE1  TYR  78           HE2      TYR  78   6.510  -7.287  -7.287
  573    HE2  TYR  78           HE1      TYR  78   5.167  -3.785  -3.785
  574    HH   TYR  78           HH       TYR  78   7.748  -5.196  -5.196
  575    H    CYS  79           H        CYS  79  -0.889  -6.897  -6.897
  576    HA   CYS  79           HA       CYS  79  -1.395  -9.778  -9.778
  577   1HB   CYS  79          2HB       CYS  79  -3.016  -7.262  -7.262
  578   2HB   CYS  79          1HB       CYS  79  -3.777  -8.847  -8.847
  579    HG   CYS  79           HG       CYS  79  -3.827  -7.908  -7.908
  580    H    ALA  80           H        ALA  80  -0.626  -7.587  -7.587
  581    HA   ALA  80           HA       ALA  80  -1.979  -9.141  -9.141
  582   1HB   ALA  80          1HB       ALA  80  -0.234  -6.672  -6.672
  583   2HB   ALA  80          3HB       ALA  80  -0.696  -7.375  -7.375
  584   3HB   ALA  80          2HB       ALA  80  -1.936  -6.770  -6.770
  585    H    LEU  81           H        LEU  81   0.911  -9.204  -9.204
  586    HA   LEU  81           HA       LEU  81   2.570 -10.384 -10.384
  587   1HB   LEU  81          2HB       LEU  81   3.269 -10.236 -10.236
  588   2HB   LEU  81          1HB       LEU  81   4.328 -10.049 -10.049
  589    HG   LEU  81           HG       LEU  81   2.392  -8.073  -8.073
  590   1HD1  LEU  81          1HD1      LEU  81   5.314  -8.152  -8.152
  591   2HD1  LEU  81          3HD1      LEU  81   4.482  -6.614  -6.614
  592   3HD1  LEU  81          2HD1      LEU  81   4.572  -7.764  -7.764
  593   1HD2  LEU  81          2HD2      LEU  81   3.072  -8.482  -8.482
  594   2HD2  LEU  81          1HD2      LEU  81   1.732  -7.588  -7.588
  595   3HD2  LEU  81          3HD2      LEU  81   3.322  -6.834  -6.834
  596    H    GLU  82           H        GLU  82   1.112 -11.300 -11.300
  597    HA   GLU  82           HA       GLU  82   2.013 -14.034 -14.034
  598   1HB   GLU  82          2HB       GLU  82   1.389 -13.051 -13.051
  599   2HB   GLU  82          1HB       GLU  82  -0.145 -12.475 -12.475
  600   1HG   GLU  82          2HG       GLU  82  -0.563 -14.421 -14.421
  601   2HG   GLU  82          1HG       GLU  82  -0.866 -14.854 -14.854
  602    H    LYS  83           H        LYS  83  -1.183 -12.577 -12.577
  603    HA   LYS  83           HA       LYS  83  -1.700 -14.178 -14.178
  604   1HB   LYS  83          2HB       LYS  83  -1.587 -16.044 -16.044
  605   2HB   LYS  83          1HB       LYS  83  -2.706 -15.246 -15.246
  606   1HG   LYS  83          2HG       LYS  83  -4.113 -15.248 -15.248
  607   2HG   LYS  83          1HG       LYS  83  -3.264 -16.793 -16.793
  608   1HD   LYS  83          2HD       LYS  83  -4.145 -17.416 -17.416
  609   2HD   LYS  83          1HD       LYS  83  -4.892 -15.830 -15.830
  610   1HE   LYS  83          2HE       LYS  83  -5.578 -17.569 -17.569
  611   2HE   LYS  83          1HE       LYS  83  -6.415 -17.770 -17.770
  612   1HZ   LYS  83          3HZ       LYS  83  -6.436 -15.139 -15.139
  613   2HZ   LYS  83          2HZ       LYS  83  -6.437 -15.502 -15.502
  614   3HZ   LYS  83          1HZ       LYS  83  -7.674 -16.096 -16.096
  615    H    GLU  84           H        GLU  84  -2.981 -12.376 -12.376
  616    HA   GLU  84           HA       GLU  84  -5.694 -12.106 -12.106
  617   1HB   GLU  84          2HB       GLU  84  -3.890 -11.096 -11.096
  618   2HB   GLU  84          1HB       GLU  84  -4.809  -9.747  -9.747
  619   1HG   GLU  84          2HG       GLU  84  -6.476 -12.103 -12.103
  620   2HG   GLU  84          1HG       GLU  84  -5.715 -11.516 -11.516
  621    HA   PRO  85           HA       PRO  85  -4.735  -9.544  -9.544
  622   1HB   PRO  85          2HB       PRO  85  -7.283  -9.590  -9.590
  623   2HB   PRO  85          1HB       PRO  85  -6.130 -10.920 -10.920
  624   1HG   PRO  85          2HG       PRO  85  -8.383 -10.680 -10.680
  625   2HG   PRO  85          1HG       PRO  85  -7.827 -12.090 -12.090
  626   1HD   PRO  85          2HD       PRO  85  -7.253 -11.694 -11.694
  627   2HD   PRO  85          1HD       PRO  85  -6.202 -12.607 -12.607
  628    H    VAL  86           H        VAL  86  -5.362  -7.326  -7.326
  629    HA   VAL  86           HA       VAL  86  -6.839  -5.963  -5.963
  630    HB   VAL  86           HB       VAL  86  -4.720  -5.068  -5.068
  631   1HG1  VAL  86          2HG1      VAL  86  -6.698  -3.496  -3.496
  632   2HG1  VAL  86          1HG1      VAL  86  -5.229  -3.246  -3.246
  633   3HG1  VAL  86          3HG1      VAL  86  -5.229  -2.922  -2.922
  634   1HG2  VAL  86          2HG2      VAL  86  -4.753  -5.589  -5.589
  635   2HG2  VAL  86          1HG2      VAL  86  -3.783  -6.411  -6.411
  636   3HG2  VAL  86          3HG2      VAL  86  -3.444  -4.729  -4.729
  637    HA   PRO  87           HA       PRO  87  -9.708  -5.026  -5.026
  638   1HB   PRO  87          2HB       PRO  87 -11.809  -4.443  -4.443
  639   2HB   PRO  87          1HB       PRO  87 -11.323  -6.105  -6.105
  640   1HG   PRO  87          2HG       PRO  87 -11.015  -4.597  -4.597
  641   2HG   PRO  87          1HG       PRO  87 -10.971  -6.341  -6.341
  642   1HD   PRO  87          2HD       PRO  87  -8.762  -4.546  -4.546
  643   2HD   PRO  87          1HD       PRO  87  -8.718  -6.305  -6.305
  644    H    MET  88           H        MET  88 -10.371  -2.991  -2.991
  645    HA   MET  88           HA       MET  88  -9.142  -0.630  -0.630
  646   1HB   MET  88          2HB       MET  88 -10.622   0.441   0.441
  647   2HB   MET  88          1HB       MET  88  -9.233  -0.544  -0.544
  648   1HG   MET  88          2HG       MET  88 -10.587  -2.369  -2.369
  649   2HG   MET  88          1HG       MET  88 -11.964  -1.776  -1.776
  650   1HE   MET  88          2HE       MET  88 -12.468  -2.916  -2.916
  651   2HE   MET  88          1HE       MET  88 -13.599  -1.839  -1.839
  652   3HE   MET  88          3HE       MET  88 -12.068  -2.273  -2.273
  653    H    SER  89           H        SER  89 -11.844  -2.171  -2.171
  654    HA   SER  89           HA       SER  89 -13.459   0.288   0.288
  655   1HB   SER  89          2HB       SER  89 -13.963  -2.650  -2.650
  656   2HB   SER  89          1HB       SER  89 -15.140  -1.398  -1.398
  657    HG   SER  89           HG       SER  89 -15.573  -2.049  -2.049
  658    H    LEU  90           H        LEU  90 -12.717   1.458   1.458
  659    HA   LEU  90           HA       LEU  90 -11.442   0.726   0.726
  660   1HB   LEU  90          2HB       LEU  90 -12.819   2.939   2.939
  661   2HB   LEU  90          1HB       LEU  90 -13.592   2.629   2.629
  662    HG   LEU  90           HG       LEU  90 -10.676   3.187   3.187
  663   1HD1  LEU  90          1HD1      LEU  90 -12.910   4.509   4.509
  664   2HD1  LEU  90          3HD1      LEU  90 -11.227   4.831   4.831
  665   3HD1  LEU  90          2HD1      LEU  90 -11.822   5.212   5.212
  666   1HD2  LEU  90          3HD2      LEU  90 -11.739   1.391   1.391
  667   2HD2  LEU  90          2HD2      LEU  90 -10.079   1.970   1.970
  668   3HD2  LEU  90          1HD2      LEU  90 -11.241   2.852   2.852
  669    HA   PRO  91           HA       PRO  91 -14.723  -2.063  -2.063
  670   1HB   PRO  91          2HB       PRO  91 -13.178  -3.239  -3.239
  671   2HB   PRO  91          1HB       PRO  91 -13.143  -3.728  -3.728
  672   1HG   PRO  91          2HG       PRO  91 -11.275  -1.948  -1.948
  673   2HG   PRO  91          1HG       PRO  91 -10.917  -3.202  -3.202
  674   1HD   PRO  91          2HD       PRO  91 -10.910  -0.574  -0.574
  675   2HD   PRO  91          1HD       PRO  91 -11.402  -1.824  -1.824
  676    HA   PRO  92           HA       PRO  92 -16.006   0.583   0.583
  677   1HB   PRO  92          2HB       PRO  92 -18.095  -0.933  -0.933
  678   2HB   PRO  92          1HB       PRO  92 -18.166   0.029   0.029
  679   1HG   PRO  92          2HG       PRO  92 -17.709  -2.890  -2.890
  680   2HG   PRO  92          1HG       PRO  92 -18.649  -2.036  -2.036
  681   1HD   PRO  92          2HD       PRO  92 -16.155  -3.031  -3.031
  682   2HD   PRO  92          1HD       PRO  92 -16.808  -1.615  -1.615
  683    H    ALA  93           H        ALA  93 -14.641  -2.477  -2.477
  684    HA   ALA  93           HA       ALA  93 -14.888  -2.464  -2.464
  685   1HB   ALA  93          1HB       ALA  93 -14.814  -4.430  -4.430
  686   2HB   ALA  93          3HB       ALA  93 -13.223  -4.521  -4.521
  687   3HB   ALA  93          2HB       ALA  93 -14.679  -4.713  -4.713
  688    H    LEU  94           H        LEU  94 -13.250  -0.641  -0.641
  689    HA   LEU  94           HA       LEU  94 -10.751  -0.725  -0.725
  690   1HB   LEU  94          2HB       LEU  94 -10.172  -2.149  -2.149
  691   2HB   LEU  94          1HB       LEU  94 -11.126  -1.228  -1.228
  692    HG   LEU  94           HG       LEU  94  -8.926   0.258   0.258
  693   1HD1  LEU  94          1HD1      LEU  94  -8.434  -2.323  -2.323
  694   2HD1  LEU  94          3HD1      LEU  94  -7.884  -1.229  -1.229
  695   3HD1  LEU  94          2HD1      LEU  94  -7.242  -1.078  -1.078
  696   1HD2  LEU  94          3HD2      LEU  94 -10.622   0.424   0.424
  697   2HD2  LEU  94          2HD2      LEU  94  -9.356   1.560   1.560
  698   3HD2  LEU  94          1HD2      LEU  94  -8.977   0.222   0.222
  699    H    VAL  95           H        VAL  95 -13.247   1.067   1.067
  700    HA   VAL  95           HA       VAL  95 -11.676   3.467   3.467
  701    HB   VAL  95           HB       VAL  95 -13.672   2.616   2.616
  702   1HG1  VAL  95          2HG1      VAL  95 -14.966   1.874   1.874
  703   2HG1  VAL  95          1HG1      VAL  95 -15.165   3.559   3.559
  704   3HG1  VAL  95          3HG1      VAL  95 -15.896   2.977   2.977
  705   1HG2  VAL  95          3HG2      VAL  95 -12.913   5.019   5.019
  706   2HG2  VAL  95          2HG2      VAL  95 -14.638   4.817   4.817
  707   3HG2  VAL  95          1HG2      VAL  95 -14.087   5.347   5.347
  708    HA   PRO  96           HA       PRO  96 -12.013   4.994   4.994
  709   1HB   PRO  96          2HB       PRO  96 -11.564   7.649   7.649
  710   2HB   PRO  96          1HB       PRO  96 -10.272   6.433   6.433
  711   1HG   PRO  96          2HG       PRO  96 -11.704   7.511   7.511
  712   2HG   PRO  96          1HG       PRO  96  -9.971   7.211   7.211
  713   1HD   PRO  96          2HD       PRO  96 -11.511   5.499   5.499
  714   2HD   PRO  96          1HD       PRO  96 -10.184   4.918   4.918
  715    HA   PRO  97           HA       PRO  97 -16.240   6.196   6.196
  716   1HB   PRO  97          2HB       PRO  97 -16.342   7.261   7.261
  717   2HB   PRO  97          1HB       PRO  97 -16.261   5.517   5.517
  718   1HG   PRO  97          2HG       PRO  97 -14.087   7.403   7.403
  719   2HG   PRO  97          1HG       PRO  97 -14.387   5.744   5.744
  720   1HD   PRO  97          2HD       PRO  97 -12.505   6.363   6.363
  721   2HD   PRO  97          1HD       PRO  97 -13.379   4.814   4.814
  722    H    SER  98           H        SER  98 -13.705   8.405   8.405
  723    HA   SER  98           HA       SER  98 -15.364  10.816  10.816
  724   1HB   SER  98          2HB       SER  98 -12.785  10.324  10.324
  725   2HB   SER  98          1HB       SER  98 -12.629  10.796  10.796
  726    HG   SER  98           HG       SER  98 -12.457  12.580  12.580
  727    H    LYS  99           H        LYS  99 -14.358   8.695   8.695
  728    HA   LYS  99           HA       LYS  99 -15.005  10.634  10.634
  729   1HB   LYS  99          2HB       LYS  99 -13.367   8.357   8.357
  730   2HB   LYS  99          1HB       LYS  99 -14.615   7.878   7.878
  731   1HG   LYS  99          2HG       LYS  99 -12.654   8.883   8.883
  732   2HG   LYS  99          1HG       LYS  99 -14.116   9.836   9.836
  733   1HD   LYS  99          2HD       LYS  99 -12.028  11.165  11.165
  734   2HD   LYS  99          1HD       LYS  99 -13.445  11.466  11.466
  735   1HE   LYS  99          2HE       LYS  99 -12.525  10.412  10.412
  736   2HE   LYS  99          1HE       LYS  99 -11.567   9.293   9.293
  737   1HZ   LYS  99          3HZ       LYS  99 -10.600  11.673  11.673
  738   2HZ   LYS  99          2HZ       LYS  99 -10.938  11.984  11.984
  739   3HZ   LYS  99          1HZ       LYS  99  -9.898  10.712  10.712
  740    H    ARG 100           H        ARG 100 -16.809   8.803   8.803
  741    HA   ARG 100           HA       ARG 100 -18.962   8.429   8.429
  742   1HB   ARG 100          2HB       ARG 100 -19.494   6.293   6.293
  743   2HB   ARG 100          1HB       ARG 100 -17.803   6.301   6.301
  744   1HG   ARG 100          2HG       ARG 100 -17.030   6.687   6.687
  745   2HG   ARG 100          1HG       ARG 100 -18.633   7.158   7.158
  746   1HD   ARG 100          2HD       ARG 100 -18.038   4.846   4.846
  747   2HD   ARG 100          1HD       ARG 100 -19.441   4.840   4.840
  748    HE   ARG 100           HE       ARG 100 -16.830   4.597   4.597
  749   1HH1  ARG 100          1HH2      ARG 100 -17.362   2.220   2.220
  750   2HH1  ARG 100          2HH2      ARG 100 -18.130   1.118   1.118
  751   1HH2  ARG 100          2HH1      ARG 100 -18.779   3.536   3.536
  752   2HH2  ARG 100          1HH1      ARG 100 -18.933   1.863   1.863