*HEADER    GENE REGULATION                         02-SEP-01   1JW2              
*TITLE     SOLUTION STRUCTURE OF HEMOLYSIN EXPRESSION MODULATING                 
*TITLE    2 PROTEIN HHA FROM ESCHERICHIA COLI                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEMOLYSIN EXPRESSION MODULATING PROTEIN HHA;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    HHA, HEMOLYSIN EXPRESSION MODULATING PROTEIN, STRUCTURAL              
*KEYWDS   2 GENOMICS                                                             
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    X.CHANG, A.YEE, A.SAVCHENKO, A.M.EDWARDS, C.H.ARROWSMITH              
*REVDAT   1   27-FEB-02 1JW2    0                                                

!!
assign (residue 1 and name HB#) (residue 2 and name HN)  4  2.2  1
assign (residue 1 and name HB#) (residue 3 and name HN)  4  2.2  1
!!
assign (residue 2 and name HA#) (residue 2 and name HN)  4  2.2  1
assign (residue 2 and name HA#) (residue 3 and name HN)  4  2.2  1
!!
assign (residue 3 and name HA) (residue 3 and name HN)  4  2.2  1
assign (residue 3 and name HB#) (residue 3 and name HN)  4  2.2  1
assign (residue 3 and name HG#) (residue 5 and name HA)  4  2.2  1
assign (residue 3 and name HN) (residue 7 and name HN)  4  2.2  1
!!
assign (residue 4 and name HA) (residue 5 and name HD#)  3  1.2  0.5
assign (residue 4 and name HB#) (residue 5 and name HA)  4  2.2  1
assign (residue 4 and name HB#) (residue 5 and name HD#)  4  2.2  1
!!
assign (residue 5 and name HD1) (residue 5 and name HG#)  4  2.2  1
assign (residue 5 and name HD2) (residue 5 and name HG#)  4  2.2  1
assign (residue 5 and name HA) (residue 6 and name HN)  3  1.2  0.5
!!
assign (residue 6 and name HA) (residue 6 and name HN)  4  2.2  1
assign (residue 6 and name HA) (residue 6 and name HB1)  4  2.2  1
assign (residue 6 and name HA) (residue 6 and name HB2)  4  2.2  1
assign (residue 6 and name HA) (residue 6 and name HD1#)  3  1.2  0.5
assign (residue 6 and name HA) (residue 6 and name HD2#)  3  1.2  0.5
assign (residue 6 and name HA) (residue 6 and name HG)  4  2.2  1
assign (residue 6 and name HB1) (residue 6 and name HN)  4  2.2  1
assign (residue 6 and name HB2) (residue 6 and name HN)  4  2.2  1
assign (residue 6 and name HB1) (residue 6 and name HD1#)  4  2.2  1
assign (residue 6 and name HB2) (residue 6 and name HD1#)  4  2.2  1
assign (residue 6 and name HB1) (residue 6 and name HD2#)  4  2.2  1
assign (residue 6 and name HB2) (residue 6 and name HD2#)  4  2.2  1
assign (residue 6 and name HB1) (residue 6 and name HG)  4  2.2  1
assign (residue 6 and name HD1#) (residue 6 and name HN)  4  2.2  1
assign (residue 6 and name HD1#) (residue 6 and name HG)  3  1.2  0.5
assign (residue 6 and name HD2#) (residue 6 and name HN)  4  2.2  1
assign (residue 6 and name HD2#) (residue 6 and name HG)  3  1.2  0.5
assign (residue 6 and name HG) (residue 6 and name HN)  4  2.2  1
assign (residue 6 and name HA) (residue 7 and name HN)  3  1.2  0.5
assign (residue 6 and name HB1) (residue 7 and name HN)  4  2.2  1
assign (residue 6 and name HD1#) (residue 7 and name HN)  4  2.2  1
assign (residue 6 and name HB1) (residue 10 and name HB2)  4  2.2  1
assign (residue 6 and name HD1#) (residue 10 and name HB1)  3  1.2  0.5
assign (residue 6 and name HD1#) (residue 10 and name HB2)  3  1.2  0.5
assign (residue 6 and name HD2#) (residue 10 and name HB1)  4  2.2  1
!!Thr7
assign (residue 7 and name HA) (residue 7 and name HN)  3  1.2  0.5
assign (residue 7 and name HG2#) (residue 7 and name HA)  3  1.2  0.5
assign (residue 7 and name HG2#) (residue 7 and name HN)  3  1.2  0.5
assign (residue 7 and name HA) (residue 8 and name HN)  4  2.2  1
assign (residue 7 and name HG2#) (residue 8 and name HN)  4  2.2  1
assign (residue 7 and name HG2#) (residue 9 and name HN)  4  2.2  1
assign (residue 7 and name HG2#) (residue 10 and name HN)  4  2.2  1
assign (residue 7 and name HN) (residue 10 and name HB1)  3  1.2  0.5
assign (residue 7 and name HN) (residue 10 and name HB2)  3  1.2  0.5
assign (residue 7 and name HA) (residue 42 and name HG1#)  3  1.2  0.5
!!
assign (residue 8 and name HA) (residue 8 and name HN)  4  2.2  1
assign (residue 8 and name HA) (residue 8 and name HB2)  4  2.2  1
assign (residue 8 and name HA) (residue 8 and name HE#)  4  2.2  1
assign (residue 8 and name HA) (residue 8 and name HG1)  4  2.2  1
assign (residue 8 and name HA) (residue 8 and name HG2)  4  2.2  1
assign (residue 8 and name HB1) (residue 8 and name HN)  4  2.2  1
assign (residue 8 and name HB2) (residue 8 and name HN)  4  2.2  1
assign (residue 8 and name HB1) (residue 8 and name HG1)  4  2.2  1
assign (residue 8 and name HB2) (residue 8 and name HG1)  4  2.2  1
assign (residue 8 and name HB1) (residue 8 and name HG2)  4  2.2  1
assign (residue 8 and name HD#) (residue 8 and name HE#)  4  2.2  1
assign (residue 8 and name HD#) (residue 8 and name HG1)  4  2.2  1
assign (residue 8 and name HG1) (residue 8 and name HE#)  4  2.2  1
assign (residue 8 and name HG2) (residue 8 and name HE#)  4  2.2  1
assign (residue 8 and name HG1) (residue 8 and name HN)  4  2.2  1
assign (residue 8 and name HN) (residue 8 and name HE#)  4  2.2  1
assign (residue 8 and name HA) (residue 9 and name HN)  3  1.2  0.5
assign (residue 8 and name HB2) (residue 9 and name HN)  4  2.2  1
assign (residue 8 and name HG1) (residue 9 and name HN)  4  2.2  1
assign (residue 8 and name HN) (residue 9 and name HN)  3  1.2  0.5
assign (residue 8 and name HA) (residue 11 and name HN)  4  2.2  1
!!Thr9
assign (residue 9 and name HA) (residue 9 and name HN)  4  2.2  1
assign (residue 9 and name HA) (residue 9 and name HG2#)  3  1.2  0.5
assign (residue 9 and name HB) (residue 9 and name HN)  3  1.2  0.5
assign (residue 9 and name HB) (residue 9 and name HA)  3  1.2  0.5
assign (residue 9 and name HB) (residue 9 and name HG2#)  3  1.2  0.5
assign (residue 9 and name HN) (residue 9 and name HG2#)  3  1.2  0.5
assign (residue 9 and name HA) (residue 10 and name HN)  4  2.2  1
assign (residue 9 and name HB) (residue 10 and name HN)  4  2.2  1
assign (residue 9 and name HN) (residue 10 and name HN)  3  1.2  0.5
assign (residue 9 and name HA) (residue 12 and name HB2)  3  1.2  0.5
assign (residue 9 and name HA) (residue 12 and name HD1#)  4  2.2  1
assign (residue 9 and name HG2#) (residue 13 and name HG#)  3  1.2  0.5
!!
assign (residue 10 and name HA) (residue 10 and name HN)  4  2.2  1
assign (residue 10 and name HA) (residue 10 and name HB1)  4  2.2  1
assign (residue 10 and name HA) (residue 10 and name HB2)  4  2.2  1
assign (residue 10 and name HB1) (residue 6 and name HB1)  3  1.2  0.5
assign (residue 10 and name HB2) (residue 6 and name HB1)  3  1.2  0.5
assign (residue 10 and name HB1) (residue 6 and name HD1#)  3  1.2  0.5
assign (residue 10 and name HB2) (residue 6 and name HD1#)  3  1.2  0.5
assign (residue 10 and name HB1) (residue 10 and name HN)  4  2.2  1
assign (residue 10 and name HB2) (residue 10 and name HN)  4  2.2  1
assign (residue 10 and name HB1) (residue 11 and name HN)  4  2.2  1
assign (residue 10 and name HB2) (residue 11 and name HN)  4  2.2  1
assign (residue 10 and name HN) (residue 7 and name HA)  4  2.2  1
assign (residue 10 and name HN) (residue 8 and name HN)  4  2.2  1
assign (residue 10 and name HN) (residue 8 and name HA)  4  2.2  1
assign (residue 10 and name HN) (residue 9 and name HG2#)  4  2.2  1
assign (residue 10 and name HN) (residue 11 and name HN)  4  2.2  1
!!
assign (residue 11 and name HA) (residue 11 and name HN)  4  2.2  1
assign (residue 11 and name HA) (residue 11 and name HB2)  4  2.2  1
assign (residue 11 and name HB2) (residue 11 and name HN)  4  2.2  1
assign (residue 11 and name HB1) (residue 11 and name HA)  4  2.2  1
assign (residue 11 and name HB2) (residue 11 and name HD#)  4  2.2  1
assign (residue 11 and name HB2) (residue 11 and name HE#)  4  2.2  1
assign (residue 11 and name HA) (residue 12 and name HN)  4  2.2  1
assign (residue 11 and name HB1) (residue 12 and name HN)  4  2.2  1
assign (residue 11 and name HB2) (residue 12 and name HN)  4  2.2  1
assign (residue 11 and name HN) (residue 12 and name HN)  4  2.2  1
assign (residue 11 and name HA) (residue 14 and name HN)  4  2.2  1
assign (residue 11 and name HA) (residue 14 and name HB2)  3  1.2  0.5
assign (residue 11 and name HB1) (residue 15 and name HD1#)  4  2.2  1
assign (residue 11 and name HB2) (residue 15 and name HD1#)  4  2.2  1
assign (residue 11 and name HD#) (residue 42 and name HG1#)  4  2.2  1
assign (residue 11 and name HE#) (residue 42 and name HG1#)  4  2.2  1
assign (residue 11 and name HE#) (residue 42 and name HB)  4  2.2  1
assign (residue 11 and name HB1) (residue 46 and name HB#)  3  1.2  0.5
assign (residue 11 and name HB2) (residue 46 and name HB#)  3  1.2  0.5
assign (residue 11 and name HD#) (residue 46 and name HB#)  4  2.2  1
!!
assign (residue 12 and name HA) (residue 12 and name HN)  4  2.2  1
assign (residue 12 and name HA) (residue 12 and name HB2)  4  2.2  1
assign (residue 12 and name HA) (residue 12 and name HD1#)  4  2.2  1
assign (residue 12 and name HA) (residue 12 and name HD2#)  4  2.2  1
assign (residue 12 and name HA) (residue 12 and name HG)  4  2.2  1
assign (residue 12 and name HB1) (residue 12 and name HN)  4  2.2  1
assign (residue 12 and name HB2) (residue 12 and name HN)  4  2.2  1
assign (residue 12 and name HB1) (residue 12 and name HA)  4  2.2  1
assign (residue 12 and name HB1) (residue 12 and name HD1#)  4  2.2  1
assign (residue 12 and name HB2) (residue 12 and name HD1#)  4  2.2  1
assign (residue 12 and name HB1) (residue 12 and name HD2#)  4  2.2  1
assign (residue 12 and name HB2) (residue 12 and name HD2#)  4  2.2  1
assign (residue 12 and name HB2) (residue 12 and name HG)  4  2.2  1
assign (residue 12 and name HD1#) (residue 12 and name HN)  4  2.2  1
assign (residue 12 and name HD1#) (residue 12 and name HD2#)  4  2.2  1
assign (residue 12 and name HD1#) (residue 12 and name HG)  4  2.2  1
assign (residue 12 and name HD2#) (residue 12 and name HN)  4  2.2  1
assign (residue 12 and name HD2#) (residue 12 and name HD1#)  4  2.2  1
assign (residue 12 and name HD2#) (residue 12 and name HG)  4  2.2  1
assign (residue 12 and name HG) (residue 12 and name HN)  4  2.2  1
assign (residue 12 and name HB1) (residue 13 and name HN)  4  2.2  1
assign (residue 12 and name HB2) (residue 13 and name HN)  4  2.2  1
assign (residue 12 and name HD1#) (residue 13 and name HE#)  4  2.2  1
assign (residue 12 and name HN) (residue 13 and name HN)  4  2.2  1
assign (residue 12 and name HA) (residue 15 and name HB1)  3  1.2  0.5
assign (residue 12 and name HA) (residue 15 and name HB2)  3  1.2  0.5
assign (residue 12 and name HA) (residue 15 and name HD2#)  4  2.2  1
assign (residue 12 and name HN) (residue 42 and name HG1#)  3  1.2  0.5
assign (residue 12 and name HN) (residue 46 and name HB#)  3  1.2  0.5
!!
assign (residue 13 and name HA) (residue 13 and name HN)  4  2.2  1
assign (residue 13 and name HA) (residue 13 and name HB1)  4  2.2  1
assign (residue 13 and name HA) (residue 13 and name HB2)  4  2.2  1
assign (residue 13 and name HA) (residue 13 and name HG1)  4  2.2  1
assign (residue 13 and name HB1) (residue 13 and name HN)  4  2.2  1
assign (residue 13 and name HB2) (residue 13 and name HN)  4  2.2  1
assign (residue 13 and name HB1) (residue 13 and name HG1)  4  2.2  1
assign (residue 13 and name HB2) (residue 13 and name HG1)  4  2.2  1
assign (residue 13 and name HE#) (residue 13 and name HN)  4  2.2  1
assign (residue 13 and name HG1) (residue 13 and name HN)  4  2.2  1
assign (residue 13 and name HG2) (residue 13 and name HN)  4  2.2  1
assign (residue 13 and name HG2) (residue 13 and name HB1)  4  2.2  1
assign (residue 13 and name HG2) (residue 13 and name HB2)  4  2.2  1
assign (residue 13 and name HA) (residue 14 and name HN)  4  2.2  1
assign (residue 13 and name HE#) (residue 14 and name HA)  4  2.2  1
assign (residue 13 and name HN) (residue 14 and name HN)  4  2.2  1
!!
assign (residue 14 and name HA) (residue 14 and name HN)  4  2.2  1
assign (residue 14 and name HA) (residue 14 and name HB1)  4  2.2  1
assign (residue 14 and name HA) (residue 14 and name HG#)  4  2.2  1
assign (residue 14 and name HB1) (residue 14 and name HN)  4  2.2  1
assign (residue 14 and name HB2) (residue 14 and name HN)  4  2.2  1
assign (residue 14 and name HD#) (residue 14 and name HB2)  4  2.2  1
assign (residue 14 and name HG1) (residue 14 and name HN)  4  2.2  1
assign (residue 14 and name HN) (residue 14 and name HG2)  4  2.2  1
assign (residue 14 and name HA) (residue 15 and name HN)  4  2.2  1
assign (residue 14 and name HB1) (residue 15 and name HN)  4  2.2  1
assign (residue 14 and name HN) (residue 15 and name HN)  4  2.2  1
assign (residue 14 and name HA) (residue 17 and name HD#)  3  1.2  0.5
!!
assign (residue 15 and name HA) (residue 15 and name HB1)  4  2.2  1
assign (residue 15 and name HA) (residue 15 and name HD1#)  4  2.2  1
assign (residue 15 and name HA) (residue 15 and name HD2#)  4  2.2  1
assign (residue 15 and name HB1) (residue 15 and name HN)  4  2.2  1
assign (residue 15 and name HB2) (residue 15 and name HN)  4  2.2  1
assign (residue 15 and name HB2) (residue 15 and name HA)  4  2.2  1
assign (residue 15 and name HB1) (residue 15 and name HD1#)  4  2.2  1
assign (residue 15 and name HB2) (residue 15 and name HD1#)  4  2.2  1
assign (residue 15 and name HB1) (residue 15 and name HD2#)  4  2.2  1
assign (residue 15 and name HB2) (residue 15 and name HD2#)  4  2.2  1
assign (residue 15 and name HB2) (residue 15 and name HG)  4  2.2  1
assign (residue 15 and name HD1#) (residue 15 and name HN)  4  2.2  1
assign (residue 15 and name HD1#) (residue 15 and name HD2#)  4  2.2  1
assign (residue 15 and name HD1#) (residue 15 and name HG)  4  2.2  1
assign (residue 15 and name HD2#) (residue 15 and name HN)  4  2.2  1
assign (residue 15 and name HD2#) (residue 15 and name HD1#)  4  2.2  1
assign (residue 15 and name HD2#) (residue 15 and name HG)  4  2.2  1
assign (residue 15 and name HG) (residue 15 and name HN)  4  2.2  1
assign (residue 15 and name HG) (residue 15 and name HD1#)  4  2.2  1
assign (residue 15 and name HG) (residue 15 and name HD2#)  4  2.2  1
assign (residue 15 and name HB2) (residue 16 and name HN)  4  2.2  1
assign (residue 15 and name HD2#) (residue 18 and name HN)  4  2.2  1
assign (residue 15 and name HD1#) (residue 24 and name HD2#)  4  2.2  1
assign (residue 15 and name HD2#) (residue 43 and name HE#)  4  2.2  1
assign (residue 15 and name HD1#) (residue 43 and name HD#)  4  2.2  1
assign (residue 15 and name HD1#) (residue 43 and name HE#)  4  2.2  1
assign (residue 15 and name HD1#) (residue 46 and name HB#)  3  1.2  0.5
assign (residue 15 and name HD1#) (residue 47 and name HN)  4  2.2  1
assign (residue 15 and name HD1#) (residue 47 and name HA)  4  2.2  1
assign (residue 15 and name HD1#) (residue 47 and name HB#)  4  2.2  1
!!
assign (residue 16 and name HA) (residue 16 and name HN)  4  2.2  1
assign (residue 16 and name HN) (residue 17 and name HN)  4  2.2  1
assign (residue 16 and name HA) (residue 18 and name HN)  4  2.2  1
assign (residue 16 and name HA) (residue 21 and name HD1#)  4  2.2  1
!!
assign (residue 17 and name HA) (residue 17 and name HN)  4  2.2  1
assign (residue 17 and name HA) (residue 17 and name HB1)  4  2.2  1
assign (residue 17 and name HA) (residue 17 and name HG#)  4  2.2  1
assign (residue 17 and name HB1) (residue 17 and name HN)  4  2.2  1
assign (residue 17 and name HB2) (residue 17 and name HN)  4  2.2  1
assign (residue 17 and name HB2) (residue 17 and name HA)  4  2.2  1
assign (residue 17 and name HB1) (residue 17 and name HD#)  4  2.2  1
assign (residue 17 and name HD#) (residue 17 and name HN)  4  2.2  1
assign (residue 17 and name HD#) (residue 17 and name HA)  4  2.2  1
assign (residue 17 and name HD#) (residue 17 and name HG#)  4  2.2  1
assign (residue 17 and name HG#) (residue 17 and name HN)  4  2.2  1
assign (residue 17 and name HN) (residue 17 and name HB2)  4  2.2  1
assign (residue 17 and name HA) (residue 18 and name HN)  4  2.2  1
assign (residue 17 and name HB2) (residue 18 and name HN)  4  2.2  1
assign (residue 17 and name HN) (residue 18 and name HN)  4  2.2  1
!!
assign (residue 18 and name HA) (residue 18 and name HN)  4  2.2  1
assign (residue 18 and name HA) (residue 18 and name HB1)  4  2.2  1
assign (residue 18 and name HA) (residue 18 and name HB2)  4  2.2  1
assign (residue 18 and name HB1) (residue 18 and name HN)  4  2.2  1
assign (residue 18 and name HB2) (residue 18 and name HN)  4  2.2  1
assign (residue 18 and name HB1) (residue 23 and name HG2#)  4  2.2  1
assign (residue 18 and name HB2) (residue 23 and name HG2#)  4  2.2  1
assign (residue 18 and name HB1) (residue 24 and name HD2#)  4  2.2  1
assign (residue 18 and name HB2) (residue 24 and name HD2#)  4  2.2  1
!!
assign (residue 19 and name HA) (residue 19 and name HN)  4  2.2  1
assign (residue 19 and name HA) (residue 19 and name HB#)  4  2.2  1
assign (residue 19 and name HA) (residue 19 and name HG1)  4  2.2  1
assign (residue 19 and name HA) (residue 19 and name HG2)  4  2.2  1
assign (residue 19 and name HG1) (residue 19 and name HB#)  4  2.2  1
assign (residue 19 and name HG2) (residue 19 and name HB#)  4  2.2  1
assign (residue 19 and name HA) (residue 20 and name HN)  3  1.2  0.5
assign (residue 19 and name HB#) (residue 20 and name HN)  4  2.2  1
assign (residue 19 and name HG1) (residue 20 and name HN)  4  2.2  1
!!
assign (residue 20 and name HA) (residue 20 and name HN)  3  1.2  0.5
assign (residue 20 and name HA) (residue 20 and name HG2#)  3  1.2  0.5
assign (residue 20 and name HB) (residue 20 and name HN)  4  2.2  1
assign (residue 20 and name HG2#) (residue 20 and name HN)  3  1.2  0.5
assign (residue 20 and name HG2#) (residue 20 and name HB)  3  1.2  0.5
assign (residue 20 and name HA) (residue 21 and name HN)  3  1.2  0.5
assign (residue 20 and name HB) (residue 21 and name HN)  4  2.2  1
assign (residue 20 and name HG2#) (residue 21 and name HN)  4  2.2  1
assign (residue 20 and name HG2#) (residue 22 and name HN)  4  2.2  1
assign (residue 20 and name HG2#) (residue 25 and name HN)  4  2.2  1
!!
assign (residue 21 and name HA) (residue 21 and name HB)  4  2.2  1
assign (residue 21 and name HA) (residue 21 and name HG11)  4  2.2  1
assign (residue 21 and name HA) (residue 21 and name HG12)  4  2.2  1
assign (residue 21 and name HA) (residue 21 and name HG2#)  3  1.2  0.5
assign (residue 21 and name HA) (residue 21 and name HN)  4  2.2  1
assign (residue 21 and name HB) (residue 21 and name HN)  3  1.2  0.5
assign (residue 21 and name HB) (residue 21 and name HG2#)  4  2.2  1
assign (residue 21 and name HD1#) (residue 21 and name HA)  4  2.2  1
assign (residue 21 and name HD1#) (residue 21 and name HB)  4  2.2  1
assign (residue 21 and name HG11) (residue 21 and name HN)  4  2.2  1
assign (residue 21 and name HG2#) (residue 21 and name HN)  4  2.2  1
assign (residue 21 and name HA) (residue 22 and name HN)  4  2.2  1
assign (residue 21 and name HB) (residue 22 and name HN)  3  1.2  0.5
assign (residue 21 and name HG2#) (residue 22 and name HN)  3  1.2  0.5
assign (residue 21 and name HG2#) (residue 22 and name HA)  4  2.2  1
assign (residue 21 and name HN) (residue 22 and name HN)  4  2.2  1
assign (residue 21 and name HA) (residue 24 and name HN)  3  1.2  0.5
assign (residue 21 and name HA) (residue 24 and name HB1)  3  1.2  0.5
assign (residue 21 and name HA) (residue 24 and name HB2)  3  1.2  0.5
assign (residue 21 and name HG2#) (residue 25 and name HN)  4  2.2  1
assign (residue 21 and name HG2#) (residue 25 and name HG1)  4  2.2  1
assign (residue 21 and name HG2#) (residue 25 and name HG2)  4  2.2  1
assign (residue 21 and name HA) (residue 54 and name HD2#)  4  2.2  1
!!
assign (residue 22 and name HA) (residue 22 and name HN)  4  2.2  1
assign (residue 22 and name HA) (residue 22 and name HB#)  4  2.2  1
assign (residue 22 and name HB#) (residue 22 and name HN)  3  1.2  0.5
assign (residue 22 and name HB#) (residue 23 and name HN)  3  1.2  0.5
assign (residue 22 and name HN) (residue 23 and name HN)  3  1.2  0.5
assign (residue 22 and name HA) (residue 25 and name HB1)  3  1.2  0.5
assign (residue 22 and name HA) (residue 25 and name HB2)  3  1.2  0.5
assign (residue 22 and name HA) (residue 25 and name HN)  4  2.2  1
!!
assign (residue 23 and name HA) (residue 23 and name HN)  3  1.2  0.5
assign (residue 23 and name HA) (residue 23 and name HG2#)  3  1.2  0.5
assign (residue 23 and name HB) (residue 23 and name HA)  3  1.2  0.5
assign (residue 23 and name HB) (residue 23 and name HG2#)  3  1.2  0.5
assign (residue 23 and name HG2#) (residue 23 and name HN)  3  1.2  0.5
assign (residue 23 and name HN) (residue 23 and name HB)  3  1.2  0.5
assign (residue 23 and name HN) (residue 23 and name HG2#)  3  1.2  0.5
assign (residue 23 and name HB) (residue 24 and name HN)  3  1.2  0.5
assign (residue 23 and name HA) (residue 26 and name HB1)  3  1.2  0.5
assign (residue 23 and name HG2#) (residue 26 and name HD#)  4  2.2  1
!!
assign (residue 24 and name HA) (residue 24 and name HD2#)  4  2.2  1
assign (residue 24 and name HA) (residue 24 and name HN)  4  2.2  1
assign (residue 24 and name HB1) (residue 24 and name HN)  3  1.2  0.5
assign (residue 24 and name HB2) (residue 24 and name HN)  3  1.2  0.5
assign (residue 24 and name HB1) (residue 24 and name HA)  4  2.2  1
assign (residue 24 and name HB2) (residue 24 and name HA)  4  2.2  1
assign (residue 24 and name HB1) (residue 24 and name HD1#)  4  2.2  1
assign (residue 24 and name HB2) (residue 24 and name HD1#)  4  2.2  1
assign (residue 24 and name HB1) (residue 24 and name HG)  4  2.2  1
assign (residue 24 and name HD1#) (residue 24 and name HB1)  4  2.2  1
assign (residue 24 and name HD1#) (residue 24 and name HG)  4  2.2  1
assign (residue 24 and name HD1#) (residue 24 and name HN)  4  2.2  1
assign (residue 24 and name HD2#) (residue 24 and name HN)  4  2.2  1
assign (residue 24 and name HD2#) (residue 24 and name HA)  4  2.2  1
assign (residue 24 and name HD2#) (residue 24 and name HB1)  4  2.2  1
assign (residue 24 and name HD2#) (residue 24 and name HG)  4  2.2  1
assign (residue 24 and name HG) (residue 24 and name HN)  4  2.2  1
assign (residue 24 and name HB1) (residue 25 and name HN)  4  2.2  1
assign (residue 24 and name HB2) (residue 25 and name HN)  4  2.2  1
assign (residue 24 and name HD1#) (residue 25 and name HN)  4  2.2  1
assign (residue 24 and name HD2#) (residue 25 and name HN)  4  2.2  1
assign (residue 24 and name HG) (residue 25 and name HN)  4  2.2  1
assign (residue 24 and name HN) (residue 25 and name HN)  3  1.2  0.5
assign (residue 24 and name HA) (residue 27 and name HB)  3  1.2  0.5
assign (residue 24 and name HD2#) (residue 27 and name HA)  4  2.2  1
assign (residue 24 and name HG) (residue 28 and name HD1#)  4  2.2  1
!!
assign (residue 25 and name HA) (residue 25 and name HN)  4  2.2  1
assign (residue 25 and name HA) (residue 25 and name HB1)  4  2.2  1
assign (residue 25 and name HA) (residue 25 and name HB2)  4  2.2  1
assign (residue 25 and name HA) (residue 25 and name HG1)  4  2.2  1
assign (residue 25 and name HA) (residue 25 and name HG2)  4  2.2  1
assign (residue 25 and name HA) (residue 25 and name HN)  4  2.2  1
assign (residue 25 and name HB1) (residue 25 and name HN)  4  2.2  1
assign (residue 25 and name HB2) (residue 25 and name HN)  4  2.2  1
assign (residue 25 and name HB1) (residue 25 and name HG2)  4  2.2  1
assign (residue 25 and name HB2) (residue 25 and name HG2)  4  2.2  1
assign (residue 25 and name HG1) (residue 25 and name HN)  4  2.2  1
assign (residue 25 and name HG2) (residue 25 and name HN)  4  2.2  1
assign (residue 25 and name HN) (residue 26 and name HN)  3  1.2  0.5
assign (residue 25 and name HB1) (residue 26 and name HN)  4  2.2  1
assign (residue 25 and name HB#) (residue 28 and name HD1#)  4  2.2  1
assign (residue 25 and name HA) (residue 28 and name HB)  3  1.2  0.5
assign (residue 25 and name HA) (residue 28 and name HG12)  3  1.2  0.5
assign (residue 25 and name HA) (residue 28 and name HD1#)  4  2.2  1
!!
assign (residue 26 and name HA) (residue 26 and name HN)  4  2.2  1
assign (residue 26 and name HA) (residue 26 and name HB2)  4  2.2  1
assign (residue 26 and name HA) (residue 26 and name HG1)  4  2.2  1
assign (residue 26 and name HA) (residue 26 and name HG2)  4  2.2  1
assign (residue 26 and name HB1) (residue 26 and name HN)  4  2.2  1
assign (residue 26 and name HB2) (residue 26 and name HN)  4  2.2  1
assign (residue 26 and name HG1) (residue 26 and name HN)  4  2.2  1
assign (residue 26 and name HG1) (residue 26 and name HD#)  4  2.2  1
assign (residue 26 and name HG2) (residue 26 and name HD#)  4  2.2  1
assign (residue 26 and name HA) (residue 27 and name HN)  4  2.2  1
assign (residue 26 and name HB1) (residue 27 and name HN)  4  2.2  1
assign (residue 26 and name HN) (residue 27 and name HN)  3  1.2  0.5
assign (residue 26 and name HN) (residue 27 and name HG1#)  4  2.2  1
assign (residue 26 and name HB1) (residue 28 and name HN)  4  2.2  1
assign (residue 26 and name HA) (residue 29 and name HB#)  3  1.2  0.5
assign (residue 26 and name HA) (residue 29 and name HN)  4  2.2  1
!!
assign (residue 27 and name HA) (residue 27 and name HN)  4  2.2  1
assign (residue 27 and name HA) (residue 27 and name HB)  4  2.2  1
assign (residue 27 and name HA) (residue 27 and name HG1#)  4  2.2  1
assign (residue 27 and name HA) (residue 27 and name HG2#)  4  2.2  1
assign (residue 27 and name HB) (residue 27 and name HN)  4  2.2  1
assign (residue 27 and name HB) (residue 27 and name HG1#)  4  2.2  1
assign (residue 27 and name HB) (residue 27 and name HG2#)  4  2.2  1
assign (residue 27 and name HG1#) (residue 27 and name HN)  4  2.2  1
assign (residue 27 and name HG2#) (residue 27 and name HN)  4  2.2  1
assign (residue 27 and name HB) (residue 28 and name HN)  4  2.2  1
assign (residue 27 and name HG1#) (residue 28 and name HN)  4  2.2  1
assign (residue 27 and name HG2#) (residue 28 and name HN)  4  2.2  1
assign (residue 27 and name HN) (residue 28 and name HN)  3  1.2  0.5
assign (residue 27 and name HG2#) (residue 29 and name HN)  4  2.2  1
assign (residue 27 and name HA) (residue 30 and name HB#)  3  1.2  0.5
assign (residue 27 and name HA) (residue 30 and name HN)  4  2.2  1
assign (residue 27 and name HG1#) (residue 30 and name HN)  4  2.2  1
assign (residue 27 and name HG2#) (residue 30 and name HN)  4  2.2  1
assign (residue 27 and name HG1#) (residue 31 and name HB1)  4  2.2  1
assign (residue 27 and name HG2#) (residue 31 and name HB1)  4  2.2  1
assign (residue 27 and name HG1#) (residue 43 and name HE#)  4  2.2  1
!!
assign (residue 28 and name HA) (residue 28 and name HN)  4  2.2  1
assign (residue 28 and name HA) (residue 28 and name HB)  4  2.2  1
assign (residue 28 and name HA) (residue 28 and name HG12)  4  2.2  1
assign (residue 28 and name HA) (residue 28 and name HG2#)  4  2.2  1
assign (residue 28 and name HB) (residue 28 and name HN)  4  2.2  1
assign (residue 28 and name HB) (residue 28 and name HD1#)  4  2.2  1
assign (residue 28 and name HB) (residue 28 and name HG11)  4  2.2  1
assign (residue 28 and name HB) (residue 28 and name HG12)  4  2.2  1
assign (residue 28 and name HB) (residue 28 and name HG2#)  4  2.2  1
assign (residue 28 and name HD1#) (residue 28 and name HN)  4  2.2  1
assign (residue 28 and name HD1#) (residue 28 and name HA)  4  2.2  1
assign (residue 28 and name HD1#) (residue 28 and name HB)  4  2.2  1
assign (residue 28 and name HD1#) (residue 28 and name HG12)  4  2.2  1
assign (residue 28 and name HG12) (residue 28 and name HN)  4  2.2  1
assign (residue 28 and name HG2#) (residue 28 and name HN)  4  2.2  1
assign (residue 28 and name HB) (residue 29 and name HN)  4  2.2  1
assign (residue 28 and name HN) (residue 29 and name HB#)  4  2.2  1
assign (residue 28 and name HN) (residue 29 and name HN)  3  1.2  0.5
assign (residue 28 and name HB) (residue 29 and name HN)  3  1.2  0.5
assign (residue 28 and name HA) (residue 29 and name HN)  4  2.2  1
assign (residue 28 and name HA) (residue 32 and name HN)  4  2.2  1
!!
assign (residue 29 and name HA) (residue 29 and name HN)  4  2.2  1
assign (residue 29 and name HA) (residue 29 and name HB#)  4  2.2  1
assign (residue 29 and name HA) (residue 29 and name HG#)  4  2.2  1
assign (residue 29 and name HB#) (residue 29 and name HN)  3  1.2  0.5
assign (residue 29 and name HB#) (residue 29 and name HA)  4  2.2  1
assign (residue 29 and name HB#) (residue 29 and name HG#)  4  2.2  1
assign (residue 29 and name HN) (residue 29 and name HG#)  4  2.2  1
assign (residue 29 and name HB#) (residue 30 and name HN)  3  1.2  0.5
assign (residue 29 and name HN) (residue 30 and name HN)  4  2.2  1
assign (residue 29 and name HA) (residue 32 and name HN)  4  2.2  1
assign (residue 29 and name HA) (residue 32 and name HB#)  3  1.2  0.5
assign (residue 29 and name HA) (residue 32 and name HG#)  3  1.2  0.5
assign (residue 29 and name HA) (residue 32 and name HE#)  4  2.2  1
!!
assign (residue 30 and name HA) (residue 30 and name HN)  3  1.2  0.5
assign (residue 30 and name HA) (residue 30 and name HB#)  4  2.2  1
assign (residue 30 and name HA) (residue 30 and name HD#)  4  2.2  1
assign (residue 30 and name HB#) (residue 30 and name HN)  3  1.2  0.5
assign (residue 30 and name HB#) (residue 30 and name HG1)  4  2.2  1
assign (residue 30 and name HD#) (residue 30 and name HB#)  4  2.2  1
assign (residue 30 and name HN) (residue 30 and name HG2)  4  2.2  1
assign (residue 30 and name HA) (residue 31 and name HN)  4  2.2  1
assign (residue 30 and name HB#) (residue 31 and name HN)  3  1.2  0.5
assign (residue 30 and name HN) (residue 31 and name HN)  4  2.2  1
!!
assign (residue 31 and name HA) (residue 31 and name HN)  4  2.2  1
assign (residue 31 and name HA) (residue 31 and name HB1)  4  2.2  1
assign (residue 31 and name HA) (residue 31 and name HB2)  4  2.2  1
assign (residue 31 and name HB1) (residue 31 and name HN)  4  2.2  1
assign (residue 31 and name HB2) (residue 31 and name HN)  4  2.2  1
assign (residue 31 and name HA) (residue 32 and name HN)  3  1.2  0.5
assign (residue 31 and name HN) (residue 32 and name HN)  4  2.2  1
assign (residue 31 and name HA) (residue 34 and name HN)  3  1.2  0.5
assign (residue 31 and name HB1) (residue 35 and name HD1#)  4  2.2  1
assign (residue 31 and name HB2) (residue 35 and name HD1#)  4  2.2  1
!!
assign (residue 32 and name HA) (residue 32 and name HN)  3  1.2  0.5
assign (residue 32 and name HA) (residue 32 and name HB#)  4  2.2  1
assign (residue 32 and name HA) (residue 32 and name HG#)  4  2.2  1
assign (residue 32 and name HB#) (residue 32 and name HN)  4  2.2  1
assign (residue 32 and name HB#) (residue 32 and name HG#)  4  2.2  1
assign (residue 32 and name HD#) (residue 32 and name HE#)  4  2.2  1
assign (residue 32 and name HD#) (residue 32 and name HG#)  4  2.2  1
assign (residue 32 and name HE#) (residue 32 and name HB#)  4  2.2  1
assign (residue 32 and name HG#) (residue 32 and name HN)  4  2.2  1
assign (residue 32 and name HA) (residue 33 and name HN)  4  2.2  1
assign (residue 32 and name HB#) (residue 33 and name HN)  4  2.2  1
assign (residue 32 and name HG#) (residue 33 and name HN)  4  2.2  1
assign (residue 32 and name HN) (residue 33 and name HN)  3  1.2  0.5
assign (residue 32 and name HA) (residue 34 and name HN)  4  2.2  1
assign (residue 32 and name HA) (residue 35 and name HD2#)  3  1.2  0.5
!!
assign (residue 33 and name HA) (residue 33 and name HN)  3  1.2  0.5
assign (residue 33 and name HB1) (residue 33 and name HN)  3  1.2  0.5
assign (residue 33 and name HB2) (residue 33 and name HN)  3  1.2  0.5
assign (residue 33 and name HB1) (residue 33 and name HA)  4  2.2  1
assign (residue 33 and name HB2) (residue 33 and name HA)  4  2.2  1
assign (residue 33 and name HA) (residue 34 and name HN)  4  2.2  1
assign (residue 33 and name HN) (residue 34 and name HN)  3  1.2  0.5
!!
assign (residue 34 and name HA) (residue 34 and name HN)  4  2.2  1
assign (residue 34 and name HA) (residue 34 and name HB#)  4  2.2  1
assign (residue 34 and name HA) (residue 34 and name HG1)  4  2.2  1
assign (residue 34 and name HA) (residue 34 and name HG2)  4  2.2  1
assign (residue 34 and name HB#) (residue 34 and name HN)  3  1.2  0.5
assign (residue 34 and name HG1) (residue 34 and name HN)  4  2.2  1
assign (residue 34 and name HG2) (residue 34 and name HN)  4  2.2  1
!!
assign (residue 35 and name HA) (residue 35 and name HB1)  4  2.2  1
assign (residue 35 and name HA) (residue 35 and name HB2)  4  2.2  1
assign (residue 35 and name HA) (residue 35 and name HD2#)  4  2.2  1
assign (residue 35 and name HA) (residue 35 and name HN)  4  2.2  1
assign (residue 35 and name HB1) (residue 35 and name HN)  4  2.2  1
assign (residue 35 and name HB2) (residue 35 and name HN)  4  2.2  1
assign (residue 35 and name HB1) (residue 35 and name HD1#)  4  2.2  1
assign (residue 35 and name HB2) (residue 35 and name HD1#)  4  2.2  1
assign (residue 35 and name HB1) (residue 35 and name HD2#)  4  2.2  1
assign (residue 35 and name HB2) (residue 35 and name HD2#)  4  2.2  1
assign (residue 35 and name HD1#) (residue 35 and name HN)  4  2.2  1
assign (residue 35 and name HD1#) (residue 35 and name HB1)  4  2.2  1
assign (residue 35 and name HD1#) (residue 35 and name HB2)  4  2.2  1
assign (residue 35 and name HD1#) (residue 35 and name HD2#)  4  2.2  1
assign (residue 35 and name HD1#) (residue 35 and name HG)  4  2.2  1
assign (residue 35 and name HD2#) (residue 35 and name HN)  4  2.2  1
assign (residue 35 and name HD2#) (residue 35 and name HA)  4  2.2  1
assign (residue 35 and name HD2#) (residue 35 and name HD1#)  4  2.2  1
assign (residue 35 and name HD2#) (residue 35 and name HG)  4  2.2  1
assign (residue 35 and name HG) (residue 35 and name HN)  4  2.2  1
assign (residue 35 and name HN) (residue 36 and name HN)  4  2.2  1
assign (residue 35 and name HA) (residue 36 and name HN)  2  0.5  0.8
assign (residue 35 and name HB2) (residue 36 and name HN)  3  1.2  0.5
assign (residue 35 and name HD1#) (residue 36 and name HN)  3  1.2  0.5
assign (residue 35 and name HD2#) (residue 36 and name HN)  3  1.2  0.5
assign (residue 35 and name HD2#) (residue 39 and name HB#)  3  1.2  0.5
assign (residue 35 and name HB1) (residue 39 and name HB#)  3  1.2  0.5
assign (residue 35 and name HB2) (residue 39 and name HB#)  3  1.2  0.5
assign (residue 35 and name HB2) (residue 39 and name HG#)  4  2.2  1
assign (residue 35 and name HB1) (residue 39 and name HN)  4  2.2  1
assign (residue 35 and name HB2) (residue 39 and name HN)  4  2.2  1
assign (residue 35 and name HD1#) (residue 39 and name HB#)  4  2.2  1
assign (residue 35 and name HD2#) (residue 39 and name HB#)  3  1.2  0.5
assign (residue 35 and name HD2#) (residue 39 and name HG#)  3  1.2  0.5
assign (residue 35 and name HD2#) (residue 39 and name HN)  4  2.2  1
assign (residue 35 and name HG) (residue 39 and name HA)  4  2.2  1
assign (residue 35 and name HD1#) (residue 40 and name HA)  3  1.2  0.5
assign (residue 35 and name HN) (residue 40 and name HD1#)  4  2.2  1
assign (residue 35 and name HD1#) (residue 43 and name HB1)  3  1.2  0.5
assign (residue 35 and name HD1#) (residue 43 and name HB2)  3  1.2  0.5
assign (residue 35 and name HD1#) (residue 43 and name HN)  4  2.2  1
assign (residue 35 and name HD2#) (residue 43 and name HN)  4  2.2  1
!!
assign (residue 36 and name HB1) (residue 36 and name HN)  4  2.2  1
assign (residue 36 and name HB2) (residue 36 and name HN)  3  1.2  0.5
assign (residue 36 and name HB1) (residue 36 and name HA)  4  2.2  1
assign (residue 36 and name HB2) (residue 36 and name HA)  4  2.2  1
assign (residue 36 and name HN) (residue 39 and name HB#)  3  1.2  0.5
!!
assign (residue 37 and name HA) (residue 37 and name HB#)  4  2.2  1
assign (residue 37 and name HA) (residue 37 and name HN)  4  2.2  1
assign (residue 37 and name HB#) (residue 37 and name HN)  3  1.2  0.5
assign (residue 37 and name HB#) (residue 37 and name HA)  3  1.2  0.5
assign (residue 37 and name HA) (residue 40 and name HB1)  3  1.2  0.5
assign (residue 37 and name HA) (residue 40 and name HB2)  3  1.2  0.5
assign (residue 37 and name HA) (residue 40 and name HD1#)  3  1.2  0.5
!!
assign (residue 38 and name HA) (residue 38 and name HB#)  4  2.2  1
assign (residue 38 and name HB#) (residue 38 and name HN)  4  2.2  1
assign (residue 38 and name HB#) (residue 38 and name HA)  4  2.2  1
assign (residue 38 and name HA) (residue 39 and name HN)  3  1.2  0.5
assign (residue 38 and name HB#) (residue 39 and name HN)  4  2.2  1
assign (residue 38 and name HA) (residue 41 and name HB#)  4  2.2  1
!!
assign (residue 39 and name HB#) (residue 39 and name HN)  3  1.2  0.5
assign (residue 39 and name HB#) (residue 39 and name HA)  4  2.2  1
assign (residue 39 and name HG#) (residue 39 and name HN)  4  2.2  1
assign (residue 39 and name HG#) (residue 39 and name HA)  4  2.2  1
assign (residue 39 and name HN) (residue 39 and name HA)  4  2.2  1
assign (residue 39 and name HN) (residue 39 and name HB#)  4  2.2  1
assign (residue 39 and name HN) (residue 40 and name HN)  3  1.2  0.5
assign (residue 39 and name HA) (residue 40 and name HN)  4  2.2  1
assign (residue 39 and name HB#) (residue 40 and name HN)  3  1.2  0.5
assign (residue 39 and name HG#) (residue 40 and name HN)  4  2.2  1
assign (residue 39 and name HA) (residue 42 and name HB)  3  1.2  0.5
assign (residue 39 and name HA) (residue 42 and name HG2#)  3  1.2  0.5
!!
assign (residue 40 and name HA) (residue 40 and name HN)  3  1.2  0.5
assign (residue 40 and name HA) (residue 40 and name HB1)  3  1.2  0.5
assign (residue 40 and name HA) (residue 40 and name HB2)  3  1.2  0.5
assign (residue 40 and name HA) (residue 40 and name HD1#)  4  2.2  1
assign (residue 40 and name HA) (residue 40 and name HD2#)  4  2.2  1
assign (residue 40 and name HB1) (residue 40 and name HN)  3  1.2  0.5
assign (residue 40 and name HB2) (residue 40 and name HN)  3  1.2  0.5
assign (residue 40 and name HB1) (residue 40 and name HD1#)  3  1.2  0.5
assign (residue 40 and name HB2) (residue 40 and name HD1#)  3  1.2  0.5
assign (residue 40 and name HD1#) (residue 40 and name HN)  4  2.2  1
assign (residue 40 and name HD2#) (residue 40 and name HN)  4  2.2  1
assign (residue 40 and name HG) (residue 40 and name HN)  4  2.2  1
assign (residue 40 and name HG) (residue 40 and name HA)  4  2.2  1
assign (residue 40 and name HG) (residue 40 and name HD1#)  4  2.2  1
assign (residue 40 and name HG) (residue 40 and name HD2#)  4  2.2  1
assign (residue 40 and name HA) (residue 41 and name HN)  4  2.2  1
assign (residue 40 and name HB1) (residue 41 and name HN)  4  2.2  1
assign (residue 40 and name HB2) (residue 41 and name HN)  4  2.2  1
assign (residue 40 and name HD2#) (residue 41 and name HN)  4  2.2  1
assign (residue 40 and name HN) (residue 41 and name HN)  3  1.2  0.5
assign (residue 40 and name HA) (residue 43 and name HB1)  3  1.2  0.5
assign (residue 40 and name HA) (residue 43 and name HB2)  3  1.2  0.5
assign (residue 40 and name HA) (residue 43 and name HD#)  4  2.2  1
assign (residue 40 and name HB2) (residue 43 and name HN)  4  2.2  1
assign (residue 40 and name HD1#) (residue 43 and name HB1)  4  2.2  1
assign (residue 40 and name HD1#) (residue 43 and name HD#)  4  2.2  1
assign (residue 40 and name HD2#) (residue 43 and name HD#)  4  2.2  1
assign (residue 40 and name HA) (residue 44 and name HN)  4  2.2  1
assign (residue 40 and name HD1#) (residue 44 and name HN)  4  2.2  1
assign (residue 40 and name HD1#) (residue 44 and name HD#)  4  2.2  1
assign (residue 40 and name HD1#) (residue 44 and name HE#)  4  2.2  1
assign (residue 40 and name HD1#) (residue 44 and name HN)  4  2.2  1
assign (residue 40 and name HD2#) (residue 44 and name HD#)  4  2.2  1
assign (residue 40 and name HD2#) (residue 44 and name HE#)  4  2.2  1
assign (residue 40 and name HD2#) (residue 44 and name HN)  4  2.2  1
!!
assign (residue 41 and name HA) (residue 41 and name HN)  3  1.2  0.5
assign (residue 41 and name HA) (residue 41 and name HB#)  3  1.2  0.5
assign (residue 41 and name HB#) (residue 41 and name HN)  3  1.2  0.5
assign (residue 41 and name HA) (residue 42 and name HN)  3  1.2  0.5
assign (residue 41 and name HB#) (residue 42 and name HN)  4  2.2  1
assign (residue 41 and name HB#) (residue 43 and name HN)  4  2.2  1
assign (residue 41 and name HA) (residue 44 and name HN)  4  2.2  1
assign (residue 41 and name HA) (residue 44 and name HB1)  3  1.2  0.5
assign (residue 41 and name HA) (residue 44 and name HB2)  3  1.2  0.5
!!
assign (residue 42 and name HA) (residue 42 and name HN)  3  1.2  0.5
assign (residue 42 and name HA) (residue 42 and name HB)  3  1.2  0.5
assign (residue 42 and name HA) (residue 42 and name HG1#)  4  2.2  1
assign (residue 42 and name HA) (residue 42 and name HG2#)  4  2.2  1
assign (residue 42 and name HB) (residue 42 and name HN)  3  1.2  0.5
assign (residue 42 and name HB) (residue 42 and name HG1#)  3  1.2  0.5
assign (residue 42 and name HB) (residue 42 and name HG2#)  3  1.2  0.5
assign (residue 42 and name HG1#) (residue 42 and name HN)  4  2.2  1
assign (residue 42 and name HG2#) (residue 42 and name HN)  4  2.2  1
assign (residue 42 and name HA) (residue 43 and name HA)  4  2.2  1
assign (residue 42 and name HA) (residue 43 and name HN)  4  2.2  1
assign (residue 42 and name HB) (residue 43 and name HN)  3  1.2  0.5
assign (residue 42 and name HG1#) (residue 43 and name HN)  4  2.2  1
assign (residue 42 and name HG2#) (residue 43 and name HN)  4  2.2  1
assign (residue 42 and name HN) (residue 43 and name HN)  3  1.2  0.5
assign (residue 42 and name HA) (residue 45 and name HN)  4  2.2  1
!!
assign (residue 43 and name HA) (residue 43 and name HN)  3  1.2  0.5
assign (residue 43 and name HA) (residue 43 and name HB1)  3  1.2  0.5
assign (residue 43 and name HA) (residue 43 and name HB2)  3  1.2  0.5
assign (residue 43 and name HA) (residue 43 and name HD#)  4  2.2  1
assign (residue 43 and name HA) (residue 43 and name HE#)  4  2.2  1
assign (residue 43 and name HB1) (residue 43 and name HN)  3  1.2  0.5
assign (residue 43 and name HB2) (residue 43 and name HN)  3  1.2  0.5
assign (residue 43 and name HB1) (residue 43 and name HD#)  3  1.2  0.8
assign (residue 43 and name HB2) (residue 43 and name HD#)  3  1.2  0.8
assign (residue 43 and name HN) (residue 44 and name HN)  3  1.2  0.5
assign (residue 43 and name HA) (residue 44 and name HN)  4  2.2  1
assign (residue 43 and name HB1) (residue 44 and name HN)  4  2.2  1
assign (residue 43 and name HB2) (residue 44 and name HN)  4  2.2  1
assign (residue 43 and name HD#) (residue 44 and name HN)  4  2.2  1
assign (residue 43 and name HA) (residue 46 and name HN)  4  2.2  1
assign (residue 43 and name HA) (residue 46 and name HB#)  3  1.2  0.5
!!
assign (residue 44 and name HA) (residue 44 and name HN)  3  1.2  0.5
assign (residue 44 and name HA) (residue 44 and name HB1)  3  1.2  0.5
assign (residue 44 and name HA) (residue 44 and name HB2)  3  1.2  0.5
assign (residue 44 and name HA) (residue 44 and name HD#)  4  2.2  1
assign (residue 44 and name HB1) (residue 44 and name HN)  3  1.2  0.5
assign (residue 44 and name HB2) (residue 44 and name HN)  3  1.2  0.5
assign (residue 44 and name HB1) (residue 44 and name HD#)  4  2.2  1
assign (residue 44 and name HB2) (residue 44 and name HD#)  4  2.2  1
assign (residue 44 and name HN) (residue 44 and name HD#)  4  2.2  1
assign (residue 44 and name HN) (residue 45 and name HN)  3  1.2  0.5
assign (residue 44 and name HB1) (residue 45 and name HN)  4  2.2  1
assign (residue 44 and name HB2) (residue 45 and name HN)  4  2.2  1
assign (residue 44 and name HA) (residue 47 and name HB#)  3  1.2  0.5
assign (residue 44 and name HA) (residue 48 and name HN)  4  2.2  1
!!
assign (residue 45 and name HA) (residue 45 and name HN)  3  1.2  0.5
assign (residue 45 and name HA) (residue 45 and name HB#)  3  1.2  0.5
assign (residue 45 and name HB#) (residue 45 and name HN)  3  1.2  0.5
assign (residue 45 and name HA) (residue 46 and name HN)  4  2.2  1
assign (residue 45 and name HN) (residue 47 and name HN)  4  2.2  1
!!
assign (residue 46 and name HA) (residue 46 and name HN)  3  1.2  0.5
assign (residue 46 and name HA) (residue 46 and name HB#)  3  1.2  0.5
assign (residue 46 and name HB#) (residue 46 and name HN)  3  1.2  0.5
assign (residue 46 and name HB#) (residue 47 and name HN)  3  1.2  0.5
assign (residue 46 and name HN) (residue 47 and name HB#)  4  2.2  1
assign (residue 46 and name HN) (residue 47 and name HN)  3  1.2  0.5
assign (residue 46 and name HA) (residue 47 and name HN)  3  1.2  0.5
assign (residue 46 and name HA) (residue 49 and name HB1)  4  2.2  1
assign (residue 46 and name HA) (residue 49 and name HB2)  4  2.2  1
!!
assign (residue 47 and name HA) (residue 47 and name HN)  3  1.2  0.5
assign (residue 47 and name HA) (residue 47 and name HB#)  3  1.2  0.5
assign (residue 47 and name HB#) (residue 47 and name HN)  4  2.2  1
assign (residue 47 and name HB#) (residue 48 and name HN)  4  2.2  1
assign (residue 47 and name HB#) (residue 49 and name HN)  4  2.2  1
assign (residue 47 and name HA) (residue 50 and name HB#)  4  2.2  1
assign (residue 47 and name HA) (residue 50 and name HG#)  4  2.2  1
!!
assign (residue 48 and name HA) (residue 48 and name HN)  3  1.2  0.5
assign (residue 48 and name HA) (residue 48 and name HB1)  3  1.2  0.5
assign (residue 48 and name HB1) (residue 48 and name HN)  3  1.2  0.5
assign (residue 48 and name HA) (residue 49 and name HN)  4  2.2  1
assign (residue 48 and name HB1) (residue 49 and name HN)  4  2.2  1
assign (residue 48 and name HN) (residue 49 and name HN)  3  1.2  0.5
assign (residue 48 and name HA) (residue 51 and name HB1)  3  1.2  0.5
assign (residue 48 and name HA) (residue 51 and name HB2)  3  1.2  0.5
assign (residue 48 and name HA) (residue 51 and name HD1#)  4  2.2  1
!!
assign (residue 49 and name HA) (residue 49 and name HN)  3  1.2  0.5
assign (residue 49 and name HA) (residue 49 and name HB1)  3  1.2  0.5
assign (residue 49 and name HA) (residue 49 and name HB2)  3  1.2  0.5
assign (residue 49 and name HB1) (residue 49 and name HN)  3  1.2  0.5
assign (residue 49 and name HB2) (residue 49 and name HN)  3  1.2  0.5
assign (residue 49 and name HA) (residue 50 and name HN)  4  2.2  1
assign (residue 49 and name HB1) (residue 50 and name HN)  4  2.2  1
assign (residue 49 and name HB2) (residue 50 and name HN)  4  2.2  1
assign (residue 49 and name HN) (residue 50 and name HN)  3  1.2  0.5
assign (residue 49 and name HA) (residue 52 and name HB#)  3  1.2  0.5
assign (residue 49 and name HA) (residue 63 and name HD1#)  3  1.2  0.5
assign (residue 49 and name HA) (residue 63 and name HG12)  4  2.2  1
!!
assign (residue 50 and name HA) (residue 50 and name HN)  4  2.2  1
assign (residue 50 and name HB#) (residue 50 and name HN)  3  1.2  0.5
assign (residue 50 and name HB#) (residue 50 and name HA)  4  2.2  1
assign (residue 50 and name HB#) (residue 50 and name HG#)  3  1.2  0.5
assign (residue 50 and name HN) (residue 50 and name HD#)  4  2.2  1
assign (residue 50 and name HN) (residue 50 and name HG#)  4  2.2  1
assign (residue 50 and name HA) (residue 51 and name HN)  4  2.2  1
assign (residue 50 and name HB#) (residue 51 and name HD1#)  4  2.2  1
assign (residue 50 and name HD#) (residue 54 and name HD1#)  4  2.2  1
!!
assign (residue 51 and name HA) (residue 51 and name HN)  3  1.2  0.5
assign (residue 51 and name HA) (residue 51 and name HB1)  4  2.2  1
assign (residue 51 and name HA) (residue 51 and name HB2)  4  2.2  1
assign (residue 51 and name HA) (residue 51 and name HD1#)  4  2.2  1
assign (residue 51 and name HA) (residue 51 and name HD2#)  4  2.2  1
assign (residue 51 and name HB1) (residue 51 and name HN)  3  1.2  0.5
assign (residue 51 and name HB2) (residue 51 and name HN)  3  1.2  0.5
assign (residue 51 and name HB1) (residue 51 and name HD1#)  4  2.2  1
assign (residue 51 and name HB2) (residue 51 and name HD1#)  4  2.2  1
assign (residue 51 and name HB1) (residue 51 and name HD2#)  4  2.2  1
assign (residue 51 and name HB2) (residue 51 and name HD2#)  4  2.2  1
assign (residue 51 and name HD1#) (residue 51 and name HN)  3  1.2  0.5
assign (residue 51 and name HD1#) (residue 51 and name HG)  4  2.2  1
assign (residue 51 and name HD2#) (residue 51 and name HN)  4  2.2  1
assign (residue 51 and name HD2#) (residue 51 and name HG)  4  2.2  1
assign (residue 51 and name HG) (residue 51 and name HA)  4  2.2  1
assign (residue 51 and name HG) (residue 51 and name HB2)  4  2.2  1
assign (residue 51 and name HB1) (residue 52 and name HN)  4  2.2  1
assign (residue 51 and name HB2) (residue 52 and name HN)  4  2.2  1
assign (residue 51 and name HN) (residue 52 and name HN)  3  1.2  0.5
assign (residue 51 and name HD2#) (residue 54 and name HB2)  4  2.2  1
!!
assign (residue 52 and name HA) (residue 52 and name HN)  3  1.2  0.5
assign (residue 52 and name HA) (residue 52 and name HB#)  3  1.2  0.5
assign (residue 52 and name HB#) (residue 52 and name HN)  3  1.2  0.5
assign (residue 52 and name HA) (residue 53 and name HN)  4  2.2  1
assign (residue 52 and name HB#) (residue 53 and name HN)  4  2.2  1
assign (residue 52 and name HA) (residue 55 and name HB)  3  1.2  0.5
assign (residue 52 and name HA) (residue 63 and name HG12)  3  1.2  0.5
assign (residue 52 and name HB#) (residue 63 and name HD1#)  3  1.2  0.5
assign (residue 52 and name HB#) (residue 63 and name HG11)  4  2.2  1
assign (residue 52 and name HB#) (residue 63 and name HG2#)  3  1.2  0.5
assign (residue 52 and name HB#) (residue 67 and name HG1#)  4  2.2  1
!!
assign (residue 53 and name HA) (residue 53 and name HN)  3  1.2  0.5
assign (residue 53 and name HA) (residue 53 and name HB1)  3  1.2  0.5
assign (residue 53 and name HA) (residue 53 and name HB2)  3  1.2  0.5
assign (residue 53 and name HB1) (residue 53 and name HN)  4  2.2  1
assign (residue 53 and name HB2) (residue 53 and name HN)  4  2.2  1
assign (residue 53 and name HB2) (residue 54 and name HN)  4  2.2  1
assign (residue 53 and name HN) (residue 54 and name HN)  3  1.2  0.5
assign (residue 53 and name HA) (residue 58 and name HE#)  4  2.2  1
assign (residue 53 and name HA) (residue 59 and name HD#)  4  2.2  1
assign (residue 53 and name HB#) (residue 59 and name HD1#)  4  2.2  1
assign (residue 53 and name HB1) (residue 59 and name HD2#)  4  2.2  1
!!
assign (residue 54 and name HA) (residue 54 and name HN)  3  1.2  0.5
assign (residue 54 and name HA) (residue 54 and name HB1)  3  1.2  0.5
assign (residue 54 and name HA) (residue 54 and name HB2)  3  1.2  0.5
assign (residue 54 and name HA) (residue 54 and name HD1#)  4  2.2  1
assign (residue 54 and name HA) (residue 54 and name HG)  3  1.2  0.5
assign (residue 54 and name HB1) (residue 54 and name HN)  3  1.2  0.5
assign (residue 54 and name HB2) (residue 54 and name HN)  3  1.2  0.5
assign (residue 54 and name HB1) (residue 54 and name HD1#)  4  2.2  1
assign (residue 54 and name HB2) (residue 54 and name HD1#)  4  2.2  1
assign (residue 54 and name HB1) (residue 54 and name HD2#)  4  2.2  1
assign (residue 54 and name HB2) (residue 54 and name HD2#)  4  2.2  1
assign (residue 54 and name HD1#) (residue 54 and name HG)  4  2.2  1
assign (residue 54 and name HD1#) (residue 54 and name HN)  4  2.2  1
assign (residue 54 and name HD2#) (residue 54 and name HN)  4  2.2  1
assign (residue 54 and name HD2#) (residue 54 and name HG)  4  2.2  1
assign (residue 54 and name HN) (residue 54 and name HG)  4  2.2  1
assign (residue 54 and name HA) (residue 55 and name HN)  3  1.2  0.5
assign (residue 54 and name HB2) (residue 55 and name HN)  4  2.2  1
assign (residue 54 and name HN) (residue 55 and name HN)  3  1.2  0.5
assign (residue 54 and name HA) (residue 57 and name HN)  4  2.2  1
!!
assign (residue 55 and name HA) (residue 55 and name HN)  3  1.2  0.5
assign (residue 55 and name HA) (residue 55 and name HB)  4  2.2  1
assign (residue 55 and name HA) (residue 55 and name HG2#)  3  1.2  0.5
assign (residue 55 and name HB) (residue 55 and name HN)  3  1.2  0.5
assign (residue 55 and name HB) (residue 55 and name HA)  3  1.2  0.5
assign (residue 55 and name HB) (residue 55 and name HG2#)  3  1.2  0.5
assign (residue 55 and name HG2#) (residue 55 and name HN)  4  2.2  1
assign (residue 55 and name HA) (residue 56 and name HN)  4  2.2  1
assign (residue 55 and name HB) (residue 56 and name HN)  3  1.2  0.5
assign (residue 55 and name HG2#) (residue 56 and name HN)  4  2.2  1
assign (residue 55 and name HN) (residue 56 and name HN)  3  1.2  0.5
assign (residue 55 and name HG2#) (residue 70 and name HD#)  4  2.2  1
assign (residue 55 and name HA) (residue 71 and name HG2#)  4  2.2  1
assign (residue 55 and name HB) (residue 71 and name HD1#)  4  2.2  1
assign (residue 55 and name HB) (residue 71 and name HG2#)  4  2.2  1
!!
assign (residue 56 and name HA) (residue 56 and name HN)  3  1.2  0.5
assign (residue 56 and name HE#) (residue 56 and name HN)  4  2.2  1
assign (residue 56 and name HE#) (residue 56 and name HA)  4  2.2  1
assign (residue 56 and name HE#) (residue 56 and name HG2)  4  2.2  1
assign (residue 56 and name HG1) (residue 56 and name HN)  4  2.2  1
assign (residue 56 and name HG2) (residue 56 and name HN)  4  2.2  1
assign (residue 56 and name HG1) (residue 56 and name HA)  4  2.2  1
assign (residue 56 and name HG2) (residue 56 and name HA)  4  2.2  1
assign (residue 56 and name HG1) (residue 56 and name HB#)  4  2.2  1
assign (residue 56 and name HG2) (residue 56 and name HB#)  4  2.2  1
assign (residue 56 and name HB#) (residue 57 and name HA)  4  2.2  1
assign (residue 56 and name HB#) (residue 57 and name HN)  4  2.2  1
assign (residue 56 and name HN) (residue 57 and name HN)  4  2.2  1
assign (residue 56 and name HB#) (residue 59 and name HA)  4  2.2  1
assign (residue 56 and name HB#) (residue 59 and name HD1#)  4  2.2  1
assign (residue 56 and name HG#) (residue 59 and name HD1#)  4  2.2  1
assign (residue 56 and name HG2) (residue 59 and name HD2#)  4  2.2  1
assign (residue 56 and name HN) (residue 59 and name HD1#)  4  2.2  1
assign (residue 56 and name HE#) (residue 64 and name HD1)  4  2.2  1
assign (residue 56 and name HE#) (residue 67 and name HN)  4  2.2  1
assign (residue 56 and name HE#) (residue 67 and name HA)  4  2.2  1
assign (residue 56 and name HE#) (residue 67 and name HG1#)  3  1.2  0.5
assign (residue 56 and name HE#) (residue 67 and name HG2#)  3  1.2  0.5
assign (residue 56 and name HG#) (residue 67 and name HG1#)  4  2.2  1
assign (residue 56 and name HG#) (residue 67 and name HG2#)  4  2.2  1
!!
assign (residue 57 and name HA) (residue 57 and name HN)  3  1.2  0.5
assign (residue 57 and name HA) (residue 57 and name HB1)  4  2.2  1
assign (residue 57 and name HA) (residue 57 and name HB2)  4  2.2  1
assign (residue 57 and name HB1) (residue 57 and name HN)  4  2.2  1
assign (residue 57 and name HB2) (residue 57 and name HN)  4  2.2  1
assign (residue 57 and name HB1) (residue 57 and name HD21)  4  2.2  1
assign (residue 57 and name HB2) (residue 57 and name HD21)  4  2.2  1
assign (residue 57 and name HB1) (residue 57 and name HD22)  4  2.2  1
assign (residue 57 and name HA) (residue 58 and name HB2)  4  2.2  1
assign (residue 57 and name HB2) (residue 58 and name HN)  4  2.2  1
assign (residue 57 and name HA) (residue 58 and name HN)  4  2.2  1
!!
assign (residue 58 and name HA) (residue 58 and name HN)  3  1.2  0.5
assign (residue 58 and name HA) (residue 58 and name HB1)  4  2.2  1
assign (residue 58 and name HA) (residue 58 and name HD#)  4  2.2  1
assign (residue 58 and name HA) (residue 58 and name HG#)  4  2.2  1
assign (residue 58 and name HB2) (residue 58 and name HN)  3  1.2  0.5
assign (residue 58 and name HD#) (residue 58 and name HA)  4  2.2  1
assign (residue 58 and name HD#) (residue 58 and name HE#)  4  2.2  1
assign (residue 58 and name HE#) (residue 58 and name HB2)  4  2.2  1
assign (residue 58 and name HE#) (residue 58 and name HD#)  4  2.2  1
assign (residue 58 and name HE#) (residue 58 and name HG#)  4  2.2  1
assign (residue 58 and name HA) (residue 59 and name HN)  3  1.2  0.5
assign (residue 58 and name HB2) (residue 59 and name HA)  4  2.2  1
assign (residue 58 and name HE#) (residue 59 and name HA)  4  2.2  1
assign (residue 58 and name HB1) (residue 59 and name HN)  4  2.2  1
!!
assign (residue 59 and name HA) (residue 59 and name HN)  4  2.2  1
assign (residue 59 and name HA) (residue 59 and name HB1)  4  2.2  1
assign (residue 59 and name HA) (residue 59 and name HB2)  4  2.2  1
assign (residue 59 and name HA) (residue 59 and name HD1#)  4  2.2  1
assign (residue 59 and name HB1) (residue 59 and name HN)  3  1.2  0.5
assign (residue 59 and name HB2) (residue 59 and name HN)  3  1.2  0.5
assign (residue 59 and name HB1) (residue 59 and name HD1#)  4  2.2  1
assign (residue 59 and name HB2) (residue 59 and name HD1#)  4  2.2  1
assign (residue 59 and name HB1) (residue 59 and name HD2#)  4  2.2  1
assign (residue 59 and name HB2) (residue 59 and name HD2#)  4  2.2  1
assign (residue 59 and name HD1#) (residue 59 and name HN)  4  2.2  1
assign (residue 59 and name HD2#) (residue 59 and name HN)  4  2.2  1
assign (residue 59 and name HA) (residue 60 and name HN)  3  1.2  0.5
assign (residue 59 and name HD1#) (residue 60 and name HD#)  4  2.2  1
assign (residue 59 and name HD1#) (residue 60 and name HN)  4  2.2  1
assign (residue 59 and name HD1#) (residue 63 and name HN)  4  2.2  1
!!
assign (residue 60 and name HB1) (residue 60 and name HN)  4  2.2  1
assign (residue 60 and name HB2) (residue 60 and name HN)  4  2.2  1
assign (residue 60 and name HB1) (residue 60 and name HA)  4  2.2  1
assign (residue 60 and name HB2) (residue 60 and name HA)  4  2.2  1
assign (residue 60 and name HB1) (residue 60 and name HD#)  4  2.2  1
assign (residue 60 and name HB2) (residue 60 and name HD#)  4  2.2  1
assign (residue 60 and name HN) (residue 60 and name HA)  4  2.2  1
assign (residue 60 and name HB1) (residue 63 and name HD1#)  3  1.2  0.5
assign (residue 60 and name HB2) (residue 63 and name HD1#)  3  1.2  0.5
assign (residue 60 and name HD#) (residue 63 and name HD1#)  3  1.2  0.5
!!
assign (residue 61 and name HB1) (residue 61 and name HA)  4  2.2  1
assign (residue 61 and name HB2) (residue 61 and name HA)  4  2.2  1
assign (residue 61 and name HA) (residue 62 and name HN)  4  2.2  1
assign (residue 61 and name HB1) (residue 62 and name HN)  4  2.2  1
assign (residue 61 and name HA) (residue 63 and name HN)  4  2.2  1
!!
assign (residue 62 and name HA) (residue 62 and name HB#)  4  2.2  1
assign (residue 62 and name HB#) (residue 62 and name HN)  4  2.2  1
assign (residue 62 and name HB#) (residue 62 and name HA)  4  2.2  1
assign (residue 62 and name HB#) (residue 62 and name HG1)  4  2.2  1
assign (residue 62 and name HD#) (residue 62 and name HA)  4  2.2  1
assign (residue 62 and name HD#) (residue 62 and name HE#)  4  2.2  1
assign (residue 62 and name HE#) (residue 62 and name HB#)  4  2.2  1
assign (residue 62 and name HE#) (residue 62 and name HG2)  4  2.2  1
assign (residue 62 and name HA) (residue 63 and name HN)  3  1.2  0.5
assign (residue 62 and name HB#) (residue 63 and name HN)  4  2.2  1
assign (residue 62 and name HN) (residue 63 and name HN)  4  2.2  1
!!
assign (residue 63 and name HA) (residue 63 and name HN)  4  2.2  1
assign (residue 63 and name HA) (residue 63 and name HD1#)  4  2.2  1
assign (residue 63 and name HA) (residue 63 and name HG12)  4  2.2  1
assign (residue 63 and name HA) (residue 63 and name HG2#)  4  2.2  1
assign (residue 63 and name HB) (residue 63 and name HN)  3  1.2  0.5
assign (residue 63 and name HB) (residue 63 and name HA)  4  2.2  1
assign (residue 63 and name HB) (residue 63 and name HG11)  4  2.2  1
assign (residue 63 and name HB) (residue 63 and name HG12)  4  2.2  1
assign (residue 63 and name HB) (residue 63 and name HG2#)  4  2.2  1
assign (residue 63 and name HD1#) (residue 63 and name HA)  4  2.2  1
assign (residue 63 and name HD1#) (residue 63 and name HB)  4  2.2  1
assign (residue 63 and name HD1#) (residue 63 and name HG11)  4  2.2  1
assign (residue 63 and name HD1#) (residue 63 and name HG12)  4  2.2  1
assign (residue 63 and name HD1#) (residue 68 and name HZ2)  4  2.2  1
assign (residue 63 and name HG11) (residue 63 and name HN)  4  2.2  1
assign (residue 63 and name HG11) (residue 63 and name HD1#)  4  2.2  1
assign (residue 63 and name HG11) (residue 63 and name HG2#)  4  2.2  1
assign (residue 63 and name HG12) (residue 63 and name HG2#)  4  2.2  1
assign (residue 63 and name HG2#) (residue 63 and name HN)  4  2.2  1
assign (residue 63 and name HG2#) (residue 63 and name HG11)  4  2.2  1
assign (residue 63 and name HG2#) (residue 63 and name HG12)  4  2.2  1
assign (residue 63 and name HN) (residue 63 and name HD1#)  4  2.2  1
assign (residue 63 and name HN) (residue 63 and name HG12)  4  2.2  1
assign (residue 63 and name HA) (residue 64 and name HD1)  3  1.2  0.5
assign (residue 63 and name HA) (residue 64 and name HD2)  3  1.2  0.5
assign (residue 63 and name HG2#) (residue 64 and name HD1)  3  1.2  0.5
assign (residue 63 and name HG2#) (residue 64 and name HD2)  3  1.2  0.5
assign (residue 63 and name HG2#) (residue 67 and name HN)  4  2.2  1
assign (residue 63 and name HG2#) (residue 67 and name HB)  3  1.2  0.5
assign (residue 63 and name HG2#) (residue 67 and name HG1#)  3  1.2  0.5
assign (residue 63 and name HG2#) (residue 67 and name HG2#)  3  1.2  0.5
assign (residue 63 and name HG2#) (residue 67 and name HN)  4  2.2  1
assign (residue 63 and name HB) (residue 68 and name HE1)  4  2.2  1
assign (residue 63 and name HG2#) (residue 68 and name HE1)  4  2.2  1
assign (residue 63 and name HG2#) (residue 68 and name HN)  4  2.2  1
assign (residue 63 and name HB) (residue 68 and name HE1)  4  2.2  1
assign (residue 63 and name HG2#) (residue 69 and name HN)  4  2.2  1
!!
assign (residue 64 and name HD2) (residue 64 and name HD1)  4  2.2  1
assign (residue 64 and name HD1) (residue 64 and name HD2)  4  2.2  1
assign (residue 64 and name HD1) (residue 64 and name HG#)  4  2.2  1
assign (residue 64 and name HD2) (residue 64 and name HG#)  4  2.2  1
assign (residue 64 and name HD1) (residue 67 and name HG1#)  4  2.2  1
assign (residue 64 and name HD1) (residue 67 and name HG2#)  3  1.2  0.5
assign (residue 64 and name HD2) (residue 67 and name HG2#)  3  1.2  0.5
assign (residue 64 and name HB#) (residue 67 and name HG2#)  3  1.2  0.5
assign (residue 64 and name HG#) (residue 67 and name HG2#)  3  1.2  0.5
!!
assign (residue 66 and name HA) (residue 66 and name HB#)  4  2.2  1
assign (residue 66 and name HA) (residue 67 and name HN)  4  2.2  1
assign (residue 66 and name HA) (residue 69 and name HB#)  3  1.2  0.5
assign (residue 66 and name HA) (residue 69 and name HD#)  4  2.2  1
!!
assign (residue 67 and name HA) (residue 67 and name HN)  3  1.2  0.5
assign (residue 67 and name HA) (residue 67 and name HB)  3  1.2  0.5
assign (residue 67 and name HA) (residue 67 and name HG1#)  3  1.2  0.5
assign (residue 67 and name HA) (residue 67 and name HG2#)  3  1.2  0.5
assign (residue 67 and name HB) (residue 67 and name HN)  3  1.2  0.5
assign (residue 67 and name HB) (residue 67 and name HG1#)  4  2.2  1
assign (residue 67 and name HB) (residue 67 and name HG2#)  4  2.2  1
assign (residue 67 and name HG1#) (residue 67 and name HN)  4  2.2  1
assign (residue 67 and name HG2#) (residue 67 and name HN)  3  1.2  0.5
assign (residue 67 and name HA) (residue 68 and name HN)  4  2.2  1
assign (residue 67 and name HB) (residue 68 and name HN)  4  2.2  1
assign (residue 67 and name HG1#) (residue 68 and name HN)  4  2.2  1
assign (residue 67 and name HG2#) (residue 68 and name HN)  4  2.2  1
assign (residue 67 and name HA) (residue 70 and name HN)  4  2.2  1
assign (residue 67 and name HA) (residue 70 and name HB#)  3  1.2  0.5
!!
assign (residue 68 and name HA) (residue 68 and name HB2)  4  2.2  1
assign (residue 68 and name HA) (residue 68 and name HZ3)  4  2.2  1
assign (residue 68 and name HB1) (residue 68 and name HN)  4  2.2  1
assign (residue 68 and name HB2) (residue 68 and name HN)  4  2.2  1
assign (residue 68 and name HB1) (residue 68 and name HA)  4  2.2  1
assign (residue 68 and name HB2) (residue 68 and name HA)  4  2.2  1
assign (residue 68 and name HD1) (residue 68 and name HE1)  4  2.2  1
assign (residue 68 and name HZ3) (residue 68 and name HA)  4  2.2  1
assign (residue 68 and name HN) (residue 68 and name HA)  4  2.2  1
assign (residue 68 and name HN) (residue 69 and name HN)  4  2.2  1
assign (residue 68 and name HE1) (residue 68 and name HB1)  4  2.2  1
assign (residue 68 and name HE1) (residue 68 and name HB2)  4  2.2  1
assign (residue 68 and name HE1) (residue 68 and name HD1)  4  2.2  1
assign (residue 68 and name HE1) (residue 68 and name HZ2)  4  2.2  1
assign (residue 68 and name HA) (residue 69 and name HN)  4  2.2  1
assign (residue 68 and name HB1) (residue 69 and name HN)  4  2.2  1
assign (residue 68 and name HB2) (residue 69 and name HN)  4  2.2  1
assign (residue 68 and name HN) (residue 69 and name HN)  4  2.2  1
assign (residue 68 and name HA) (residue 71 and name HB)  4  2.2  1
assign (residue 68 and name HZ2) (residue 71 and name HG2#)  4  2.2  1
!!
assign (residue 69 and name HA) (residue 69 and name HN)  4  2.2  1
assign (residue 69 and name HA) (residue 69 and name HB#)  4  2.2  1
assign (residue 69 and name HA) (residue 69 and name HG#)  4  2.2  1
assign (residue 69 and name HB#) (residue 69 and name HN)  4  2.2  1
assign (residue 69 and name HB#) (residue 69 and name HG#)  4  2.2  1
assign (residue 69 and name HD#) (residue 69 and name HN)  4  2.2  1
assign (residue 69 and name HD#) (residue 69 and name HE#)  4  2.2  1
assign (residue 69 and name HE#) (residue 69 and name HA)  4  2.2  1
assign (residue 69 and name HE#) (residue 69 and name HB#)  4  2.2  1
assign (residue 69 and name HG#) (residue 69 and name HN)  4  2.2  1
assign (residue 69 and name HG#) (residue 69 and name HE#)  4  2.2  1
assign (residue 69 and name HA) (residue 70 and name HN)  4  2.2  1
assign (residue 69 and name HB#) (residue 70 and name HA)  4  2.2  1
assign (residue 69 and name HB#) (residue 70 and name HB#)  4  2.2  1
assign (residue 69 and name HB#) (residue 70 and name HN)  4  2.2  1
!!
assign (residue 70 and name HA) (residue 70 and name HN)  4  2.2  1
assign (residue 70 and name HA) (residue 70 and name HB#)  4  2.2  1
assign (residue 70 and name HA) (residue 70 and name HD#)  4  2.2  1
assign (residue 70 and name HB#) (residue 70 and name HN)  3  1.2  0.5
assign (residue 70 and name HB#) (residue 70 and name HD#)  3  1.2  0.5
assign (residue 70 and name HB#) (residue 71 and name HN)  3  1.2  0.5
assign (residue 70 and name HN) (residue 71 and name HN)  3  1.2  0.5
!!
assign (residue 71 and name HA) (residue 71 and name HN)  3  1.2  0.5
assign (residue 71 and name HA) (residue 71 and name HB)  4  2.2  1
assign (residue 71 and name HA) (residue 71 and name HG11)  4  2.2  1
assign (residue 71 and name HA) (residue 71 and name HG12)  3  1.2  0.5
assign (residue 71 and name HA) (residue 71 and name HG2#)  3  1.2  0.5
assign (residue 71 and name HB) (residue 71 and name HN)  4  2.2  1
assign (residue 71 and name HB) (residue 71 and name HG2#)  4  2.2  1
assign (residue 71 and name HD1#) (residue 71 and name HN)  4  2.2  1
assign (residue 71 and name HD1#) (residue 71 and name HA)  4  2.2  1
assign (residue 71 and name HD1#) (residue 71 and name HB)  4  2.2  1
assign (residue 71 and name HD1#) (residue 71 and name HG11)  4  2.2  1
assign (residue 71 and name HD1#) (residue 71 and name HG12)  4  2.2  1
assign (residue 71 and name HG11) (residue 71 and name HN)  4  2.2  1
assign (residue 71 and name HG12) (residue 71 and name HN)  4  2.2  1
assign (residue 71 and name HG11) (residue 71 and name HG2#)  4  2.2  1
assign (residue 71 and name HG12) (residue 71 and name HG2#)  4  2.2  1
assign (residue 71 and name HG2#) (residue 71 and name HN)  4  2.2  1
assign (residue 71 and name HA) (residue 72 and name HN)  3  1.2  0.5
assign (residue 71 and name HG2#) (residue 72 and name HN)  4  2.2  1
!!72
assign (residue 72 and name HA) (residue 72 and name HB#)  3  1.2  0.5
assign (residue 72 and name HA) (residue 72 and name HN)  3  1.2  0.5
assign (residue 72 and name HB#) (residue 72 and name HN)  3  1.2  0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1   9.994   9.723  12.984
    2   2H    MET   1          2HT       MET   1   9.147   8.558  13.917
    3   3H    MET   1          3HT       MET   1   9.904   8.097  12.447
    4    HA   MET   1           HA       MET   1  11.353   9.171  14.765
    5   1HB   MET   1          2HB       MET   1  10.559   6.368  14.013
    6   2HB   MET   1          1HB       MET   1  12.000   6.674  14.974
    7   1HG   MET   1          2HG       MET   1  10.823   7.246  16.815
    8   2HG   MET   1          1HG       MET   1   9.504   7.958  15.886
    9   1HE   MET   1          1HE       MET   1  10.444   4.797  18.061
   10   2HE   MET   1          2HE       MET   1   8.707   4.679  18.340
   11   3HE   MET   1          3HE       MET   1   9.519   6.238  18.485
   12    H    SER   2           H        SER   2  11.517   6.990  11.944
   13    HA   SER   2           HA       SER   2  14.336   7.601  11.605
   14   1HB   SER   2          2HB       SER   2  13.528   5.280  11.323
   15   2HB   SER   2          1HB       SER   2  12.533   5.804   9.964
   16    HG   SER   2           HG       SER   2  14.233   5.548   8.777
   17    H    GLU   3           H        GLU   3  11.263   8.347  10.114
   18    HA   GLU   3           HA       GLU   3  12.628  10.293   8.397
   19   1HB   GLU   3          2HB       GLU   3  12.043   8.132   7.157
   20   2HB   GLU   3          1HB       GLU   3  10.361   8.597   7.364
   21   1HG   GLU   3          2HG       GLU   3  10.487   9.837   5.546
   22   2HG   GLU   3          1HG       GLU   3  11.714  10.839   6.321
   23    H    LYS   4           H        LYS   4  11.390  12.131   7.865
   24    HA   LYS   4           HA       LYS   4   9.752  13.198   9.778
   25   1HB   LYS   4          2HB       LYS   4  10.008  13.752   6.840
   26   2HB   LYS   4          1HB       LYS   4   8.824  14.624   7.803
   27   1HG   LYS   4          2HG       LYS   4  10.595  15.440   9.262
   28   2HG   LYS   4          1HG       LYS   4  11.789  14.543   8.324
   29   1HD   LYS   4          2HD       LYS   4  10.514  15.976   6.382
   30   2HD   LYS   4          1HD       LYS   4  10.462  17.093   7.747
   31   1HE   LYS   4          2HE       LYS   4  13.038  15.733   7.255
   32   2HE   LYS   4          1HE       LYS   4  12.537  16.920   6.052
   33   1HZ   LYS   4          1HZ       LYS   4  13.539  18.331   7.467
   34   2HZ   LYS   4          2HZ       LYS   4  13.371  17.310   8.804
   35   3HZ   LYS   4          3HZ       LYS   4  12.068  18.262   8.300
   36    HA   PRO   5           HA       PRO   5   5.783  11.807   7.317
   37   1HB   PRO   5          2HB       PRO   5   6.174   9.788   5.516
   38   2HB   PRO   5          1HB       PRO   5   6.172  11.500   5.083
   39   1HG   PRO   5          2HG       PRO   5   8.494   9.683   5.609
   40   2HG   PRO   5          1HG       PRO   5   8.282  10.884   4.320
   41   1HD   PRO   5          2HD       PRO   5   9.765  11.411   6.488
   42   2HD   PRO   5          1HD       PRO   5   8.769  12.663   5.725
   43    H    LEU   6           H        LEU   6   8.177  10.038   8.835
   44    HA   LEU   6           HA       LEU   6   8.074   8.408  10.406
   45   1HB   LEU   6          2HB       LEU   6   5.172   8.007   9.724
   46   2HB   LEU   6          1HB       LEU   6   6.010   7.497  11.173
   47    HG   LEU   6           HG       LEU   6   6.410  10.209  11.216
   48   1HD1  LEU   6          1HD1      LEU   6   4.992  11.033   9.678
   49   2HD1  LEU   6          2HD1      LEU   6   3.806  10.798  10.962
   50   3HD1  LEU   6          3HD1      LEU   6   3.976   9.592   9.686
   51   1HD2  LEU   6          1HD2      LEU   6   4.075   8.763  12.457
   52   2HD2  LEU   6          2HD2      LEU   6   4.875  10.216  13.054
   53   3HD2  LEU   6          3HD2      LEU   6   5.730   8.673  13.061
   54    H    THR   7           H        THR   7   6.857   5.943  10.426
   55    HA   THR   7           HA       THR   7   7.981   4.758   7.989
   56    HB   THR   7           HB       THR   7   7.386   2.705   9.805
   57    HG1  THR   7           1HG      THR   7   7.332   3.727  11.639
   58   1HG2  THR   7          1HG2      THR   7   9.382   2.807   8.400
   59   2HG2  THR   7          2HG2      THR   7   9.777   2.496  10.091
   60   3HG2  THR   7          3HG2      THR   7  10.019   4.105   9.410
   61    H    LYS   8           H        LYS   8   6.892   2.784   7.155
   62    HA   LYS   8           HA       LYS   8   4.291   3.299   6.354
   63   1HB   LYS   8          2HB       LYS   8   5.452   0.525   6.571
   64   2HB   LYS   8          1HB       LYS   8   4.263   1.110   5.415
   65   1HG   LYS   8          2HG       LYS   8   6.236   2.752   4.773
   66   2HG   LYS   8          1HG       LYS   8   7.208   1.443   5.447
   67   1HD   LYS   8          2HD       LYS   8   6.255  -0.134   3.904
   68   2HD   LYS   8          1HD       LYS   8   5.105   1.070   3.318
   69   1HE   LYS   8          2HE       LYS   8   7.688   2.184   3.051
   70   2HE   LYS   8          1HE       LYS   8   7.768   0.537   2.427
   71   1HZ   LYS   8          1HZ       LYS   8   5.773   1.083   1.072
   72   2HZ   LYS   8          2HZ       LYS   8   7.153   1.966   0.652
   73   3HZ   LYS   8          3HZ       LYS   8   5.927   2.696   1.561
   74    H    THR   9           H        THR   9   5.453   1.767   9.244
   75    HA   THR   9           HA       THR   9   2.942   0.560   9.945
   76    HB   THR   9           HB       THR   9   5.080  -0.375  10.726
   77    HG1  THR   9           1HG      THR   9   3.468   0.596  12.846
   78   1HG2  THR   9          1HG2      THR   9   6.077   1.986  11.136
   79   2HG2  THR   9          2HG2      THR   9   6.537   0.639  12.177
   80   3HG2  THR   9          3HG2      THR   9   5.341   1.812  12.729
   81    H    ASP  10           H        ASP  10   4.623   3.557  10.668
   82    HA   ASP  10           HA       ASP  10   3.055   4.431  12.813
   83   1HB   ASP  10          2HB       ASP  10   4.496   6.044  10.692
   84   2HB   ASP  10          1HB       ASP  10   3.837   6.712  12.180
   85    H    TYR  11           H        TYR  11   2.700   5.093   9.330
   86    HA   TYR  11           HA       TYR  11   0.233   6.505   9.685
   87   1HB   TYR  11          2HB       TYR  11   1.992   5.787   7.454
   88   2HB   TYR  11          1HB       TYR  11   0.284   5.757   7.032
   89    HD1  TYR  11           1HD      TYR  11   2.099   8.011   9.378
   90    HD2  TYR  11           2HD      TYR  11  -0.045   7.653   5.721
   91    HE1  TYR  11           1HE      TYR  11   2.122  10.457   9.132
   92    HE2  TYR  11           2HE      TYR  11  -0.027  10.098   5.464
   93    HH   TYR  11           HH       TYR  11   0.213  12.088   6.801
   94    H    LEU  12           H        LEU  12   1.147   3.260   8.611
   95    HA   LEU  12           HA       LEU  12  -1.366   2.299   7.902
   96   1HB   LEU  12          2HB       LEU  12   0.624   1.048   7.398
   97   2HB   LEU  12          1HB       LEU  12   1.008   0.877   9.100
   98    HG   LEU  12           HG       LEU  12  -0.994  -0.545   9.393
   99   1HD1  LEU  12          1HD1      LEU  12  -2.243   0.459   7.466
  100   2HD1  LEU  12          2HD1      LEU  12  -2.278  -1.303   7.544
  101   3HD1  LEU  12          3HD1      LEU  12  -1.217  -0.492   6.393
  102   1HD2  LEU  12          1HD2      LEU  12   1.059  -1.345   7.347
  103   2HD2  LEU  12          2HD2      LEU  12  -0.128  -2.473   8.002
  104   3HD2  LEU  12          3HD2      LEU  12   1.040  -1.701   9.074
  105    H    MET  13           H        MET  13   0.225   2.347  11.068
  106    HA   MET  13           HA       MET  13  -1.712   0.917  12.495
  107   1HB   MET  13          2HB       MET  13   0.250   3.047  13.338
  108   2HB   MET  13          1HB       MET  13  -0.810   2.241  14.486
  109   1HG   MET  13          2HG       MET  13   0.680   0.419  12.752
  110   2HG   MET  13          1HG       MET  13   1.690   1.417  13.796
  111   1HE   MET  13          1HE       MET  13  -1.369  -0.998  13.669
  112   2HE   MET  13          2HE       MET  13  -1.984   0.268  14.733
  113   3HE   MET  13          3HE       MET  13  -1.656  -1.341  15.375
  114    H    ARG  14           H        ARG  14  -1.425   4.375  11.796
  115    HA   ARG  14           HA       ARG  14  -3.757   5.090  13.295
  116   1HB   ARG  14          2HB       ARG  14  -1.657   6.449  11.897
  117   2HB   ARG  14          1HB       ARG  14  -3.204   7.078  11.347
  118   1HG   ARG  14          2HG       ARG  14  -3.353   8.314  13.172
  119   2HG   ARG  14          1HG       ARG  14  -3.323   6.858  14.169
  120   1HD   ARG  14          2HD       ARG  14  -1.034   6.987  14.513
  121   2HD   ARG  14          1HD       ARG  14  -0.775   7.992  13.088
  122    HE   ARG  14           HE       ARG  14  -2.349   9.439  14.875
  123   1HH1  ARG  14          1HH1      ARG  14   0.883   8.138  14.692
  124   2HH1  ARG  14          2HH1      ARG  14   1.567   9.358  15.713
  125   1HH2  ARG  14          1HH2      ARG  14  -1.452  11.046  16.218
  126   2HH2  ARG  14          2HH2      ARG  14   0.242  11.010  16.578
  127    H    LEU  15           H        LEU  15  -3.156   3.966  10.078
  128    HA   LEU  15           HA       LEU  15  -5.480   4.976   8.825
  129   1HB   LEU  15          2HB       LEU  15  -3.283   3.278   8.145
  130   2HB   LEU  15          1HB       LEU  15  -4.769   2.494   7.645
  131    HG   LEU  15           HG       LEU  15  -3.967   5.297   6.862
  132   1HD1  LEU  15          1HD1      LEU  15  -2.493   4.136   5.593
  133   2HD1  LEU  15          2HD1      LEU  15  -3.914   3.946   4.566
  134   3HD1  LEU  15          3HD1      LEU  15  -3.437   2.646   5.660
  135   1HD2  LEU  15          1HD2      LEU  15  -6.471   4.297   6.956
  136   2HD2  LEU  15          2HD2      LEU  15  -5.982   3.783   5.341
  137   3HD2  LEU  15          3HD2      LEU  15  -5.931   5.491   5.775
  138    H    ARG  16           H        ARG  16  -4.787   1.873  10.408
  139    HA   ARG  16           HA       ARG  16  -7.341   0.746   9.915
  140   1HB   ARG  16          2HB       ARG  16  -6.696  -0.914  11.635
  141   2HB   ARG  16          1HB       ARG  16  -5.453  -0.678  10.415
  142   1HG   ARG  16          2HG       ARG  16  -4.205   0.748  11.946
  143   2HG   ARG  16          1HG       ARG  16  -5.459   0.536  13.171
  144   1HD   ARG  16          2HD       ARG  16  -3.761  -1.653  11.976
  145   2HD   ARG  16          1HD       ARG  16  -3.547  -0.938  13.573
  146    HE   ARG  16           HE       ARG  16  -6.174  -1.936  13.304
  147   1HH1  ARG  16          1HH1      ARG  16  -2.880  -3.016  13.700
  148   2HH1  ARG  16          2HH1      ARG  16  -3.326  -4.487  14.499
  149   1HH2  ARG  16          1HH2      ARG  16  -6.763  -3.869  14.355
  150   2HH2  ARG  16          2HH2      ARG  16  -5.531  -4.970  14.871
  151    H    ARG  17           H        ARG  17  -6.259   3.098  12.148
  152    HA   ARG  17           HA       ARG  17  -7.901   2.672  14.349
  153   1HB   ARG  17          2HB       ARG  17  -6.146   4.663  13.489
  154   2HB   ARG  17          1HB       ARG  17  -7.682   5.492  13.700
  155   1HG   ARG  17          2HG       ARG  17  -7.752   4.315  15.989
  156   2HG   ARG  17          1HG       ARG  17  -6.028   4.046  15.727
  157   1HD   ARG  17          2HD       ARG  17  -5.557   6.338  15.707
  158   2HD   ARG  17          1HD       ARG  17  -7.245   6.773  15.437
  159    HE   ARG  17           HE       ARG  17  -7.547   6.760  17.694
  160   1HH1  ARG  17          1HH1      ARG  17  -4.701   4.875  16.965
  161   2HH1  ARG  17          2HH1      ARG  17  -4.286   4.629  18.628
  162   1HH2  ARG  17          1HH2      ARG  17  -7.002   6.436  19.881
  163   2HH2  ARG  17          2HH2      ARG  17  -5.592   5.514  20.284
  164    H    CYS  18           H        CYS  18  -8.724   3.699  11.161
  165    HA   CYS  18           HA       CYS  18 -11.002   5.204  11.513
  166   1HB   CYS  18          2HB       CYS  18 -11.721   4.413   9.322
  167   2HB   CYS  18          1HB       CYS  18  -9.985   4.711   9.319
  168    HG   CYS  18           HG       CYS  18 -10.682   2.398   8.148
  169    H    GLN  19           H        GLN  19 -13.284   4.307  10.836
  170    HA   GLN  19           HA       GLN  19 -13.918   2.195  12.772
  171   1HB   GLN  19          2HB       GLN  19 -16.253   3.075  12.594
  172   2HB   GLN  19          1HB       GLN  19 -15.090   4.240  13.215
  173   1HG   GLN  19          2HG       GLN  19 -15.183   5.545  11.333
  174   2HG   GLN  19          1HG       GLN  19 -15.686   4.209  10.299
  175   1HE2  GLN  19          1HE2      GLN  19 -16.687   6.987  11.717
  176   2HE2  GLN  19          2HE2      GLN  19 -18.391   6.708  11.740
  177    H    THR  20           H        THR  20 -14.272   3.112   9.407
  178    HA   THR  20           HA       THR  20 -14.858   0.360   8.716
  179    HB   THR  20           HB       THR  20 -17.100   1.149   9.073
  180    HG1  THR  20           1HG      THR  20 -17.890   0.587   7.152
  181   1HG2  THR  20          1HG2      THR  20 -17.282   3.163   7.027
  182   2HG2  THR  20          2HG2      THR  20 -16.161   3.642   8.302
  183   3HG2  THR  20          3HG2      THR  20 -17.822   3.205   8.705
  184    H    ILE  21           H        ILE  21 -14.886   0.050   6.323
  185    HA   ILE  21           HA       ILE  21 -12.669   1.432   5.161
  186    HB   ILE  21           HB       ILE  21 -14.556  -0.524   3.846
  187   1HG1  ILE  21          2HG1      ILE  21 -13.563  -1.537   5.815
  188   2HG1  ILE  21          1HG1      ILE  21 -12.805  -2.207   4.375
  189   1HG2  ILE  21          1HG2      ILE  21 -11.768   0.354   3.108
  190   2HG2  ILE  21          2HG2      ILE  21 -13.255   0.754   2.247
  191   3HG2  ILE  21          3HG2      ILE  21 -12.689  -0.916   2.302
  192   1HD1  ILE  21          1HD1      ILE  21 -11.221  -0.032   5.054
  193   2HD1  ILE  21          2HD1      ILE  21 -10.856  -1.738   5.312
  194   3HD1  ILE  21          3HD1      ILE  21 -11.626  -0.798   6.590
  195    H    ASP  22           H        ASP  22 -16.160   1.383   4.568
  196    HA   ASP  22           HA       ASP  22 -16.264   2.874   2.237
  197   1HB   ASP  22          2HB       ASP  22 -18.128   2.312   4.464
  198   2HB   ASP  22          1HB       ASP  22 -18.511   3.726   3.485
  199    H    THR  23           H        THR  23 -16.300   4.056   5.594
  200    HA   THR  23           HA       THR  23 -16.282   6.806   4.771
  201    HB   THR  23           HB       THR  23 -16.362   5.312   7.325
  202    HG1  THR  23           1HG      THR  23 -18.254   6.148   6.711
  203   1HG2  THR  23          1HG2      THR  23 -15.882   7.270   8.691
  204   2HG2  THR  23          2HG2      THR  23 -15.341   8.140   7.255
  205   3HG2  THR  23          3HG2      THR  23 -14.455   6.719   7.812
  206    H    LEU  24           H        LEU  24 -13.929   4.482   6.011
  207    HA   LEU  24           HA       LEU  24 -11.760   6.234   6.322
  208   1HB   LEU  24          2HB       LEU  24 -11.654   4.042   7.274
  209   2HB   LEU  24          1HB       LEU  24 -11.899   3.282   5.715
  210    HG   LEU  24           HG       LEU  24  -9.541   3.237   6.733
  211   1HD1  LEU  24          1HD1      LEU  24  -9.326   4.378   4.025
  212   2HD1  LEU  24          2HD1      LEU  24 -10.426   3.011   4.209
  213   3HD1  LEU  24          3HD1      LEU  24  -8.731   2.848   4.669
  214   1HD2  LEU  24          1HD2      LEU  24  -8.304   5.103   6.905
  215   2HD2  LEU  24          2HD2      LEU  24  -9.867   5.919   6.955
  216   3HD2  LEU  24          3HD2      LEU  24  -8.977   5.809   5.436
  217    H    GLU  25           H        GLU  25 -12.972   4.478   3.516
  218    HA   GLU  25           HA       GLU  25 -10.835   4.919   1.769
  219   1HB   GLU  25          2HB       GLU  25 -12.901   3.455   1.423
  220   2HB   GLU  25          1HB       GLU  25 -13.731   4.923   0.927
  221   1HG   GLU  25          2HG       GLU  25 -11.399   4.929  -0.563
  222   2HG   GLU  25          1HG       GLU  25 -11.900   3.239  -0.545
  223    H    ARG  26           H        ARG  26 -13.590   6.943   2.613
  224    HA   ARG  26           HA       ARG  26 -13.270   8.946   0.691
  225   1HB   ARG  26          2HB       ARG  26 -15.223   8.646   2.256
  226   2HB   ARG  26          1HB       ARG  26 -14.236   9.361   3.523
  227   1HG   ARG  26          2HG       ARG  26 -13.980  11.366   1.989
  228   2HG   ARG  26          1HG       ARG  26 -15.269  10.652   1.019
  229   1HD   ARG  26          2HD       ARG  26 -16.768  11.555   2.383
  230   2HD   ARG  26          1HD       ARG  26 -16.125  10.587   3.709
  231    HE   ARG  26           HE       ARG  26 -14.426  12.683   3.608
  232   1HH1  ARG  26          1HH1      ARG  26 -17.905  12.449   3.757
  233   2HH1  ARG  26          2HH1      ARG  26 -18.093  13.940   4.617
  234   1HH2  ARG  26          1HH2      ARG  26 -14.672  14.644   4.739
  235   2HH2  ARG  26          2HH2      ARG  26 -16.257  15.187   5.174
  236    H    VAL  27           H        VAL  27 -11.701   8.463   3.816
  237    HA   VAL  27           HA       VAL  27 -10.391  11.002   3.786
  238    HB   VAL  27           HB       VAL  27 -10.889   9.645   5.869
  239   1HG1  VAL  27          1HG1      VAL  27  -8.986   7.853   4.599
  240   2HG1  VAL  27          2HG1      VAL  27 -10.111   7.565   5.922
  241   3HG1  VAL  27          3HG1      VAL  27  -8.531   8.275   6.249
  242   1HG2  VAL  27          1HG2      VAL  27  -9.645  11.435   6.443
  243   2HG2  VAL  27          2HG2      VAL  27  -8.427  11.121   5.207
  244   3HG2  VAL  27          3HG2      VAL  27  -8.403  10.213   6.720
  245    H    ILE  28           H        ILE  28  -9.692   7.869   2.476
  246    HA   ILE  28           HA       ILE  28  -6.905   8.067   2.193
  247    HB   ILE  28           HB       ILE  28  -8.789   6.715   0.256
  248   1HG1  ILE  28          2HG1      ILE  28  -7.575   5.689   2.831
  249   2HG1  ILE  28          1HG1      ILE  28  -9.285   5.927   2.493
  250   1HG2  ILE  28          1HG2      ILE  28  -7.001   5.724  -0.684
  251   2HG2  ILE  28          2HG2      ILE  28  -6.146   5.570   0.850
  252   3HG2  ILE  28          3HG2      ILE  28  -6.129   7.105  -0.018
  253   1HD1  ILE  28          1HD1      ILE  28  -8.684   4.234   0.515
  254   2HD1  ILE  28          2HD1      ILE  28  -9.199   3.712   2.119
  255   3HD1  ILE  28          3HD1      ILE  28  -7.485   3.735   1.708
  256    H    GLU  29           H        GLU  29  -9.572   9.236   0.222
  257    HA   GLU  29           HA       GLU  29  -7.962  10.147  -1.944
  258   1HB   GLU  29          2HB       GLU  29 -10.689   9.869  -1.452
  259   2HB   GLU  29          1HB       GLU  29 -10.458  11.605  -1.607
  260   1HG   GLU  29          2HG       GLU  29  -9.686   9.505  -3.620
  261   2HG   GLU  29          1HG       GLU  29 -11.025  10.645  -3.743
  262    H    LYS  30           H        LYS  30  -9.426  11.753   0.864
  263    HA   LYS  30           HA       LYS  30  -8.486  14.345   0.237
  264   1HB   LYS  30          2HB       LYS  30  -9.999  13.105   2.322
  265   2HB   LYS  30          1HB       LYS  30  -8.742  14.091   3.056
  266   1HG   LYS  30          2HG       LYS  30  -9.857  15.631   0.983
  267   2HG   LYS  30          1HG       LYS  30 -11.204  14.898   1.853
  268   1HD   LYS  30          2HD       LYS  30  -9.100  15.971   3.587
  269   2HD   LYS  30          1HD       LYS  30  -9.906  17.187   2.594
  270   1HE   LYS  30          2HE       LYS  30 -11.787  15.322   3.777
  271   2HE   LYS  30          1HE       LYS  30 -10.813  16.141   4.996
  272   1HZ   LYS  30          1HZ       LYS  30 -13.028  17.170   3.952
  273   2HZ   LYS  30          2HZ       LYS  30 -11.885  17.830   2.894
  274   3HZ   LYS  30          3HZ       LYS  30 -11.761  18.117   4.556
  275    H    ASN  31           H        ASN  31  -7.232  11.824   2.408
  276    HA   ASN  31           HA       ASN  31  -5.010  13.266   3.341
  277   1HB   ASN  31          2HB       ASN  31  -6.087  10.889   3.997
  278   2HB   ASN  31          1HB       ASN  31  -4.723  10.329   3.035
  279   1HD2  ASN  31          1HD2      ASN  31  -5.621  10.786   6.060
  280   2HD2  ASN  31          2HD2      ASN  31  -4.119  11.228   6.792
  281    H    LYS  32           H        LYS  32  -5.513  11.331   0.463
  282    HA   LYS  32           HA       LYS  32  -2.857  11.013  -0.349
  283   1HB   LYS  32          2HB       LYS  32  -5.502  10.992  -1.714
  284   2HB   LYS  32          1HB       LYS  32  -4.070  11.131  -2.724
  285   1HG   LYS  32          2HG       LYS  32  -3.711   9.051  -0.775
  286   2HG   LYS  32          1HG       LYS  32  -5.207   8.802  -1.677
  287   1HD   LYS  32          2HD       LYS  32  -2.911   9.584  -3.327
  288   2HD   LYS  32          1HD       LYS  32  -2.728   8.029  -2.513
  289   1HE   LYS  32          2HE       LYS  32  -3.735   7.477  -4.541
  290   2HE   LYS  32          1HE       LYS  32  -5.080   7.514  -3.402
  291   1HZ   LYS  32          1HZ       LYS  32  -5.822   8.685  -5.263
  292   2HZ   LYS  32          2HZ       LYS  32  -4.363   9.520  -5.452
  293   3HZ   LYS  32          3HZ       LYS  32  -5.392   9.898  -4.163
  294    H    TYR  33           H        TYR  33  -5.141  13.653  -0.895
  295    HA   TYR  33           HA       TYR  33  -3.147  15.161  -2.386
  296   1HB   TYR  33          2HB       TYR  33  -6.072  15.423  -1.879
  297   2HB   TYR  33          1HB       TYR  33  -5.167  16.889  -2.242
  298    HD1  TYR  33           1HD      TYR  33  -7.225  14.657  -3.715
  299    HD2  TYR  33           2HD      TYR  33  -3.329  16.270  -4.280
  300    HE1  TYR  33           1HE      TYR  33  -7.366  14.142  -6.115
  301    HE2  TYR  33           2HE      TYR  33  -3.460  15.759  -6.683
  302    HH   TYR  33           HH       TYR  33  -5.850  15.390  -8.359
  303    H    GLU  34           H        GLU  34  -4.392  14.920   0.818
  304    HA   GLU  34           HA       GLU  34  -3.942  17.508   1.769
  305   1HB   GLU  34          2HB       GLU  34  -4.830  15.141   2.854
  306   2HB   GLU  34          1HB       GLU  34  -3.307  15.394   3.692
  307   1HG   GLU  34          2HG       GLU  34  -4.254  17.816   4.021
  308   2HG   GLU  34          1HG       GLU  34  -5.800  17.010   3.752
  309    H    LEU  35           H        LEU  35  -1.835  14.739   2.569
  310    HA   LEU  35           HA       LEU  35   0.355  16.422   3.191
  311   1HB   LEU  35          2HB       LEU  35   1.581  14.504   3.653
  312   2HB   LEU  35          1HB       LEU  35  -0.045  14.087   4.080
  313    HG   LEU  35           HG       LEU  35   1.758  12.829   2.193
  314   1HD1  LEU  35          1HD1      LEU  35   0.720  10.943   2.890
  315   2HD1  LEU  35          2HD1      LEU  35  -0.867  11.705   2.972
  316   3HD1  LEU  35          3HD1      LEU  35   0.325  12.008   4.236
  317   1HD2  LEU  35          1HD2      LEU  35  -0.860  13.784   1.174
  318   2HD2  LEU  35          2HD2      LEU  35  -0.362  12.140   0.781
  319   3HD2  LEU  35          3HD2      LEU  35   0.659  13.504   0.325
  320    H    SER  36           H        SER  36   2.455  14.916   1.980
  321    HA   SER  36           HA       SER  36   2.271  15.900  -0.790
  322   1HB   SER  36          2HB       SER  36   4.381  16.224   1.275
  323   2HB   SER  36          1HB       SER  36   4.933  15.911  -0.370
  324    HG   SER  36           HG       SER  36   3.202  17.998   0.467
  325    H    ASP  37           H        ASP  37   4.315  14.834  -2.013
  326    HA   ASP  37           HA       ASP  37   3.643  12.143  -2.383
  327   1HB   ASP  37          2HB       ASP  37   5.956  13.846  -3.252
  328   2HB   ASP  37          1HB       ASP  37   5.968  12.114  -3.573
  329    H    ASN  38           H        ASN  38   5.827  13.669  -0.162
  330    HA   ASN  38           HA       ASN  38   7.425  11.376   0.367
  331   1HB   ASN  38          2HB       ASN  38   8.142  13.726   0.795
  332   2HB   ASN  38          1HB       ASN  38   7.008  13.780   2.139
  333   1HD2  ASN  38          1HD2      ASN  38   8.796  14.212   3.506
  334   2HD2  ASN  38          2HD2      ASN  38   9.833  12.934   4.032
  335    H    GLU  39           H        GLU  39   4.684  12.853   2.147
  336    HA   GLU  39           HA       GLU  39   4.726  10.692   4.057
  337   1HB   GLU  39          2HB       GLU  39   2.266  12.236   4.058
  338   2HB   GLU  39          1HB       GLU  39   3.432  11.992   5.341
  339   1HG   GLU  39          2HG       GLU  39   3.680  14.020   3.132
  340   2HG   GLU  39          1HG       GLU  39   3.113  14.350   4.765
  341    H    LEU  40           H        LEU  40   3.071  11.485   1.113
  342    HA   LEU  40           HA       LEU  40   0.883   9.745   1.308
  343   1HB   LEU  40          2HB       LEU  40   1.072  11.486  -0.382
  344   2HB   LEU  40          1HB       LEU  40   2.396  10.631  -1.145
  345    HG   LEU  40           HG       LEU  40  -0.089   9.074  -0.864
  346   1HD1  LEU  40          1HD1      LEU  40  -1.072  10.204  -2.880
  347   2HD1  LEU  40          2HD1      LEU  40   0.053  11.532  -2.591
  348   3HD1  LEU  40          3HD1      LEU  40  -1.162  11.125  -1.379
  349   1HD2  LEU  40          1HD2      LEU  40   1.241   9.499  -3.460
  350   2HD2  LEU  40          2HD2      LEU  40   0.698   8.009  -2.690
  351   3HD2  LEU  40          3HD2      LEU  40   2.222   8.749  -2.200
  352    H    ALA  41           H        ALA  41   4.217   9.198   0.298
  353    HA   ALA  41           HA       ALA  41   3.929   6.675  -0.856
  354   1HB   ALA  41          1HB       ALA  41   6.256   6.372  -0.508
  355   2HB   ALA  41          2HB       ALA  41   6.269   7.479   0.864
  356   3HB   ALA  41          3HB       ALA  41   6.024   8.100  -0.768
  357    H    VAL  42           H        VAL  42   4.139   7.708   2.480
  358    HA   VAL  42           HA       VAL  42   4.171   5.051   3.564
  359    HB   VAL  42           HB       VAL  42   3.451   7.578   5.045
  360   1HG1  VAL  42          1HG1      VAL  42   3.181   5.158   5.985
  361   2HG1  VAL  42          2HG1      VAL  42   3.902   6.417   6.988
  362   3HG1  VAL  42          3HG1      VAL  42   4.933   5.242   6.173
  363   1HG2  VAL  42          1HG2      VAL  42   6.048   7.224   5.655
  364   2HG2  VAL  42          2HG2      VAL  42   5.485   8.298   4.374
  365   3HG2  VAL  42          3HG2      VAL  42   6.050   6.675   3.979
  366    H    PHE  43           H        PHE  43   1.748   7.458   2.719
  367    HA   PHE  43           HA       PHE  43  -0.371   6.173   4.167
  368   1HB   PHE  43          2HB       PHE  43  -0.277   8.625   3.487
  369   2HB   PHE  43          1HB       PHE  43  -0.698   8.090   1.863
  370    HD1  PHE  43           1HD      PHE  43  -1.902   8.760   5.199
  371    HD2  PHE  43           2HD      PHE  43  -2.874   6.981   1.458
  372    HE1  PHE  43           1HE      PHE  43  -4.284   8.772   5.818
  373    HE2  PHE  43           2HE      PHE  43  -5.258   6.991   2.069
  374    HZ   PHE  43           HZ       PHE  43  -5.965   7.888   4.251
  375    H    TYR  44           H        TYR  44   0.808   6.104   0.848
  376    HA   TYR  44           HA       TYR  44  -1.351   4.556  -0.181
  377   1HB   TYR  44          2HB       TYR  44   0.555   6.022  -1.360
  378   2HB   TYR  44          1HB       TYR  44   1.313   4.439  -1.497
  379    HD1  TYR  44           1HD      TYR  44  -0.304   2.541  -2.416
  380    HD2  TYR  44           2HD      TYR  44  -0.839   6.712  -3.063
  381    HE1  TYR  44           1HE      TYR  44  -1.681   2.051  -4.393
  382    HE2  TYR  44           2HE      TYR  44  -2.218   6.234  -5.042
  383    HH   TYR  44           HH       TYR  44  -3.550   4.447  -5.970
  384    H    SER  45           H        SER  45   1.969   3.754   0.812
  385    HA   SER  45           HA       SER  45   1.823   1.007   0.248
  386   1HB   SER  45          2HB       SER  45   3.797   0.784   1.666
  387   2HB   SER  45          1HB       SER  45   3.942   2.224   0.659
  388    HG   SER  45           HG       SER  45   4.226   3.247   2.462
  389    H    ALA  46           H        ALA  46   0.821   2.884   3.027
  390    HA   ALA  46           HA       ALA  46   0.379   0.619   4.727
  391   1HB   ALA  46          1HB       ALA  46  -1.029   2.478   5.970
  392   2HB   ALA  46          2HB       ALA  46  -0.118   3.542   4.898
  393   3HB   ALA  46          3HB       ALA  46   0.734   2.472   6.011
  394    H    ALA  47           H        ALA  47  -1.601   2.603   2.601
  395    HA   ALA  47           HA       ALA  47  -4.114   1.585   3.380
  396   1HB   ALA  47          1HB       ALA  47  -4.988   2.860   1.708
  397   2HB   ALA  47          2HB       ALA  47  -3.701   2.455   0.572
  398   3HB   ALA  47          3HB       ALA  47  -3.409   3.631   1.854
  399    H    ASP  48           H        ASP  48  -1.640   0.370   1.250
  400    HA   ASP  48           HA       ASP  48  -3.315  -1.519  -0.100
  401   1HB   ASP  48          2HB       ASP  48  -0.432  -0.846  -0.048
  402   2HB   ASP  48          1HB       ASP  48  -0.818  -2.514  -0.461
  403    H    HIS  49           H        HIS  49  -0.959  -1.741   2.566
  404    HA   HIS  49           HA       HIS  49  -1.067  -4.494   2.976
  405   1HB   HIS  49          2HB       HIS  49  -0.171  -2.166   4.467
  406   2HB   HIS  49          1HB       HIS  49  -0.867  -3.379   5.537
  407    HD1  HIS  49           1HD      HIS  49   1.361  -4.083   6.560
  408    HD2  HIS  49           2HD      HIS  49   1.253  -4.447   2.422
  409    HE1  HIS  49           1HE      HIS  49   3.418  -5.394   5.946
  410    HE2  HIS  49           2HE      HIS  49   3.382  -5.514   3.430
  411    H    ARG  50           H        ARG  50  -3.156  -1.922   4.184
  412    HA   ARG  50           HA       ARG  50  -4.809  -3.546   5.815
  413   1HB   ARG  50          2HB       ARG  50  -4.563  -0.880   5.446
  414   2HB   ARG  50          1HB       ARG  50  -5.990  -1.186   4.463
  415   1HG   ARG  50          2HG       ARG  50  -7.028  -0.787   6.431
  416   2HG   ARG  50          1HG       ARG  50  -6.716  -2.508   6.662
  417   1HD   ARG  50          2HD       ARG  50  -4.560  -0.668   7.485
  418   2HD   ARG  50          1HD       ARG  50  -6.035  -0.616   8.448
  419    HE   ARG  50           HE       ARG  50  -5.507  -3.259   8.290
  420   1HH1  ARG  50          1HH1      ARG  50  -3.574  -0.504   9.212
  421   2HH1  ARG  50          2HH1      ARG  50  -2.594  -1.405  10.320
  422   1HH2  ARG  50          1HH2      ARG  50  -4.220  -4.445   9.746
  423   2HH2  ARG  50          2HH2      ARG  50  -2.960  -3.642  10.624
  424    H    LEU  51           H        LEU  51  -5.086  -2.319   2.523
  425    HA   LEU  51           HA       LEU  51  -7.540  -3.451   1.833
  426   1HB   LEU  51          2HB       LEU  51  -6.846  -1.902   0.293
  427   2HB   LEU  51          1HB       LEU  51  -5.169  -2.377   0.414
  428    HG   LEU  51           HG       LEU  51  -6.272  -2.755  -1.819
  429   1HD1  LEU  51          1HD1      LEU  51  -5.422  -5.430  -1.210
  430   2HD1  LEU  51          2HD1      LEU  51  -4.390  -4.250  -0.399
  431   3HD1  LEU  51          3HD1      LEU  51  -4.609  -4.178  -2.148
  432   1HD2  LEU  51          1HD2      LEU  51  -7.386  -5.318  -1.115
  433   2HD2  LEU  51          2HD2      LEU  51  -8.107  -3.990  -2.024
  434   3HD2  LEU  51          3HD2      LEU  51  -8.218  -4.016  -0.264
  435    H    ALA  52           H        ALA  52  -4.276  -4.753   1.811
  436    HA   ALA  52           HA       ALA  52  -4.746  -7.111   0.374
  437   1HB   ALA  52          1HB       ALA  52  -2.564  -7.368   0.688
  438   2HB   ALA  52          2HB       ALA  52  -2.781  -7.518   2.432
  439   3HB   ALA  52          3HB       ALA  52  -2.588  -5.925   1.701
  440    H    GLU  53           H        GLU  53  -4.747  -6.566   3.905
  441    HA   GLU  53           HA       GLU  53  -5.478  -9.208   4.570
  442   1HB   GLU  53          2HB       GLU  53  -6.182  -8.194   6.771
  443   2HB   GLU  53          1HB       GLU  53  -4.521  -7.881   6.290
  444   1HG   GLU  53          2HG       GLU  53  -5.078  -5.649   5.613
  445   2HG   GLU  53          1HG       GLU  53  -6.793  -5.952   5.886
  446    H    LEU  54           H        LEU  54  -7.328  -6.418   3.601
  447    HA   LEU  54           HA       LEU  54  -9.862  -7.199   4.510
  448   1HB   LEU  54          2HB       LEU  54  -8.791  -5.322   2.514
  449   2HB   LEU  54          1HB       LEU  54 -10.409  -5.900   2.166
  450    HG   LEU  54           HG       LEU  54 -10.854  -5.225   4.675
  451   1HD1  LEU  54          1HD1      LEU  54  -9.578  -3.265   5.345
  452   2HD1  LEU  54          2HD1      LEU  54  -8.558  -3.424   3.916
  453   3HD1  LEU  54          3HD1      LEU  54  -8.524  -4.668   5.166
  454   1HD2  LEU  54          1HD2      LEU  54 -11.049  -2.745   3.600
  455   2HD2  LEU  54          2HD2      LEU  54 -12.209  -4.046   3.322
  456   3HD2  LEU  54          3HD2      LEU  54 -10.933  -3.734   2.144
  457    H    THR  55           H        THR  55  -8.004  -8.102   1.680
  458    HA   THR  55           HA       THR  55 -10.170  -9.604   0.497
  459    HB   THR  55           HB       THR  55  -7.231  -9.515  -0.218
  460    HG1  THR  55           1HG      THR  55  -7.683  -7.797  -1.334
  461   1HG2  THR  55          1HG2      THR  55  -7.641 -11.105  -1.692
  462   2HG2  THR  55          2HG2      THR  55  -8.803 -10.034  -2.475
  463   3HG2  THR  55          3HG2      THR  55  -9.341 -11.157  -1.225
  464    H    MET  56           H        MET  56  -7.317 -10.213   2.435
  465    HA   MET  56           HA       MET  56  -7.777 -13.101   2.357
  466   1HB   MET  56          2HB       MET  56  -5.470 -11.684   2.325
  467   2HB   MET  56          1HB       MET  56  -5.627 -11.998   4.047
  468   1HG   MET  56          2HG       MET  56  -4.420 -13.819   3.405
  469   2HG   MET  56          1HG       MET  56  -6.057 -14.453   3.242
  470   1HE   MET  56          1HE       MET  56  -2.975 -13.203   1.917
  471   2HE   MET  56          2HE       MET  56  -3.176 -12.948   0.184
  472   3HE   MET  56          3HE       MET  56  -2.710 -14.535   0.793
  473    H    ASN  57           H        ASN  57  -9.435 -10.996   3.817
  474    HA   ASN  57           HA       ASN  57 -10.745 -11.057   5.666
  475   1HB   ASN  57          2HB       ASN  57  -9.092 -13.329   6.757
  476   2HB   ASN  57          1HB       ASN  57 -10.745 -12.894   7.175
  477   1HD2  ASN  57          1HD2      ASN  57 -10.481 -15.401   6.602
  478   2HD2  ASN  57          2HD2      ASN  57 -11.036 -15.791   5.013
  479    H    LYS  58           H        LYS  58  -7.620 -12.108   7.021
  480    HA   LYS  58           HA       LYS  58  -7.170  -9.454   8.117
  481   1HB   LYS  58          2HB       LYS  58  -7.924 -11.833   9.753
  482   2HB   LYS  58          1HB       LYS  58  -6.747 -10.705  10.407
  483   1HG   LYS  58          2HG       LYS  58  -9.225  -9.525   9.322
  484   2HG   LYS  58          1HG       LYS  58  -9.380 -10.474  10.800
  485   1HD   LYS  58          2HD       LYS  58  -9.000  -8.221  11.457
  486   2HD   LYS  58          1HD       LYS  58  -7.499  -9.101  11.751
  487   1HE   LYS  58          2HE       LYS  58  -6.371  -8.001  10.114
  488   2HE   LYS  58          1HE       LYS  58  -7.803  -7.816   9.103
  489   1HZ   LYS  58          1HZ       LYS  58  -7.635  -5.693   9.778
  490   2HZ   LYS  58          2HZ       LYS  58  -6.760  -6.071  11.175
  491   3HZ   LYS  58          3HZ       LYS  58  -8.442  -6.252  11.156
  492    H    LEU  59           H        LEU  59  -5.775 -11.108   6.201
  493    HA   LEU  59           HA       LEU  59  -3.299 -11.630   7.708
  494   1HB   LEU  59          2HB       LEU  59  -4.158 -13.676   6.774
  495   2HB   LEU  59          1HB       LEU  59  -4.331 -12.937   5.195
  496    HG   LEU  59           HG       LEU  59  -2.359 -14.523   5.548
  497   1HD1  LEU  59          1HD1      LEU  59  -1.222 -13.488   3.872
  498   2HD1  LEU  59          2HD1      LEU  59  -1.328 -11.897   4.628
  499   3HD1  LEU  59          3HD1      LEU  59  -2.729 -12.574   3.796
  500   1HD2  LEU  59          1HD2      LEU  59  -1.367 -12.122   7.079
  501   2HD2  LEU  59          2HD2      LEU  59  -0.336 -13.425   6.490
  502   3HD2  LEU  59          3HD2      LEU  59  -1.585 -13.762   7.688
  503    H    TYR  60           H        TYR  60  -1.762 -10.185   7.370
  504    HA   TYR  60           HA       TYR  60  -1.405  -9.091   4.677
  505   1HB   TYR  60          2HB       TYR  60  -1.321  -6.871   5.353
  506   2HB   TYR  60          1HB       TYR  60  -2.626  -7.507   6.343
  507    HD1  TYR  60           1HD      TYR  60   0.938  -6.546   6.361
  508    HD2  TYR  60           2HD      TYR  60  -2.475  -7.491   8.714
  509    HE1  TYR  60           1HE      TYR  60   2.117  -5.761   8.373
  510    HE2  TYR  60           2HE      TYR  60  -1.309  -6.709  10.734
  511    HH   TYR  60           HH       TYR  60   1.111  -6.436  11.474
  512    H    ASP  61           H        ASP  61   0.756  -8.147   4.343
  513    HA   ASP  61           HA       ASP  61   3.031  -7.980   4.677
  514   1HB   ASP  61          2HB       ASP  61   2.403  -8.295   7.218
  515   2HB   ASP  61          1HB       ASP  61   3.023  -9.921   6.953
  516    H    LYS  62           H        LYS  62   1.253 -10.951   4.651
  517    HA   LYS  62           HA       LYS  62   3.506 -12.268   3.287
  518   1HB   LYS  62          2HB       LYS  62   1.325 -13.380   5.038
  519   2HB   LYS  62          1HB       LYS  62   2.211 -14.406   3.916
  520   1HG   LYS  62          2HG       LYS  62   3.486 -14.725   5.758
  521   2HG   LYS  62          1HG       LYS  62   4.287 -13.282   5.132
  522   1HD   LYS  62          2HD       LYS  62   3.959 -12.543   7.246
  523   2HD   LYS  62          1HD       LYS  62   2.366 -12.127   6.610
  524   1HE   LYS  62          2HE       LYS  62   1.326 -13.742   7.796
  525   2HE   LYS  62          1HE       LYS  62   2.659 -14.881   7.611
  526   1HZ   LYS  62          1HZ       LYS  62   3.633 -14.185   9.504
  527   2HZ   LYS  62          2HZ       LYS  62   2.065 -13.696   9.906
  528   3HZ   LYS  62          3HZ       LYS  62   3.170 -12.569   9.299
  529    H    ILE  63           H        ILE  63   1.196 -10.509   2.309
  530    HA   ILE  63           HA       ILE  63  -0.591 -12.101   0.835
  531    HB   ILE  63           HB       ILE  63   0.352  -9.337   0.075
  532   1HG1  ILE  63          2HG1      ILE  63  -2.112  -9.175   1.423
  533   2HG1  ILE  63          1HG1      ILE  63  -1.107 -10.231   2.409
  534   1HG2  ILE  63          1HG2      ILE  63  -1.331  -9.268  -1.410
  535   2HG2  ILE  63          2HG2      ILE  63  -2.440 -10.131  -0.346
  536   3HG2  ILE  63          3HG2      ILE  63  -1.264 -11.027  -1.308
  537   1HD1  ILE  63          1HD1      ILE  63  -0.486  -7.421   1.538
  538   2HD1  ILE  63          2HD1      ILE  63   0.648  -8.477   2.380
  539   3HD1  ILE  63          3HD1      ILE  63  -0.850  -7.983   3.171
  540    HA   PRO  64           HA       PRO  64   2.389 -13.503  -2.218
  541   1HB   PRO  64          2HB       PRO  64   0.725 -15.122  -3.593
  542   2HB   PRO  64          1HB       PRO  64   1.377 -15.564  -2.010
  543   1HG   PRO  64          2HG       PRO  64  -1.310 -14.443  -2.707
  544   2HG   PRO  64          1HG       PRO  64  -0.902 -15.755  -1.585
  545   1HD   PRO  64          2HD       PRO  64  -1.434 -13.210  -0.772
  546   2HD   PRO  64          1HD       PRO  64  -0.339 -14.300   0.106
  547    H    SER  65           H        SER  65   1.863 -14.019  -4.789
  548    HA   SER  65           HA       SER  65   1.262 -11.383  -5.849
  549   1HB   SER  65          2HB       SER  65   2.185 -12.250  -7.955
  550   2HB   SER  65          1HB       SER  65   3.289 -12.548  -6.612
  551    HG   SER  65           HG       SER  65   3.159 -14.578  -7.086
  552    H    SER  66           H        SER  66  -0.162 -14.547  -5.710
  553    HA   SER  66           HA       SER  66  -1.965 -14.222  -7.891
  554   1HB   SER  66          2HB       SER  66  -1.680 -16.148  -5.625
  555   2HB   SER  66          1HB       SER  66  -3.214 -16.097  -6.495
  556    HG   SER  66           HG       SER  66  -2.019 -17.527  -7.615
  557    H    VAL  67           H        VAL  67  -2.296 -13.832  -4.374
  558    HA   VAL  67           HA       VAL  67  -5.027 -13.141  -4.386
  559    HB   VAL  67           HB       VAL  67  -2.940 -12.267  -2.383
  560   1HG1  VAL  67          1HG1      VAL  67  -5.673 -12.844  -1.495
  561   2HG1  VAL  67          2HG1      VAL  67  -5.532 -11.449  -2.565
  562   3HG1  VAL  67          3HG1      VAL  67  -4.597 -11.513  -1.071
  563   1HG2  VAL  67          1HG2      VAL  67  -4.677 -14.588  -1.826
  564   2HG2  VAL  67          2HG2      VAL  67  -2.991 -14.301  -1.397
  565   3HG2  VAL  67          3HG2      VAL  67  -3.407 -14.834  -3.025
  566    H    TRP  68           H        TRP  68  -2.104 -11.108  -4.352
  567    HA   TRP  68           HA       TRP  68  -3.415  -8.631  -4.326
  568   1HB   TRP  68          2HB       TRP  68  -0.744  -9.551  -4.474
  569   2HB   TRP  68          1HB       TRP  68  -0.973  -8.460  -5.834
  570    HD1  TRP  68           HD       TRP  68   0.253  -8.302  -2.508
  571    HE1  TRP  68           1HE      TRP  68  -0.006  -5.967  -1.479
  572    HE3  TRP  68           3HE      TRP  68  -3.132  -6.327  -5.789
  573    HZ2  TRP  68           2HZ      TRP  68  -1.453  -3.595  -1.977
  574    HZ3  TRP  68           3HZ      TRP  68  -3.903  -4.018  -5.442
  575    HH2  TRP  68           HH       TRP  68  -3.079  -2.681  -3.573
  576    H    LYS  69           H        LYS  69  -2.300 -10.639  -7.025
  577    HA   LYS  69           HA       LYS  69  -2.895  -8.898  -9.116
  578   1HB   LYS  69          2HB       LYS  69  -2.401 -11.766  -8.815
  579   2HB   LYS  69          1HB       LYS  69  -3.467 -11.389 -10.161
  580   1HG   LYS  69          2HG       LYS  69  -1.786 -10.635 -11.397
  581   2HG   LYS  69          1HG       LYS  69  -1.183  -9.617 -10.087
  582   1HD   LYS  69          2HD       LYS  69   0.262 -11.222  -9.321
  583   2HD   LYS  69          1HD       LYS  69  -0.734 -12.553  -9.912
  584   1HE   LYS  69          2HE       LYS  69   1.182 -12.531 -11.285
  585   2HE   LYS  69          1HE       LYS  69  -0.104 -11.807 -12.249
  586   1HZ   LYS  69          1HZ       LYS  69   0.876  -9.785 -12.208
  587   2HZ   LYS  69          2HZ       LYS  69   2.278 -10.710 -12.007
  588   3HZ   LYS  69          3HZ       LYS  69   1.541  -9.994 -10.664
  589    H    PHE  70           H        PHE  70  -4.997 -10.839  -7.142
  590    HA   PHE  70           HA       PHE  70  -7.258 -10.710  -8.896
  591   1HB   PHE  70          2HB       PHE  70  -6.627 -12.273  -6.766
  592   2HB   PHE  70          1HB       PHE  70  -7.744 -11.138  -6.015
  593    HD1  PHE  70           1HD      PHE  70  -7.405 -14.027  -8.102
  594    HD2  PHE  70           2HD      PHE  70 -10.042 -10.869  -7.016
  595    HE1  PHE  70           1HE      PHE  70  -9.303 -15.308  -9.003
  596    HE2  PHE  70           2HE      PHE  70 -11.945 -12.144  -7.913
  597    HZ   PHE  70           HZ       PHE  70 -11.576 -14.367  -8.908
  598    H    ILE  71           H        ILE  71  -6.390  -9.056  -5.859
  599    HA   ILE  71           HA       ILE  71  -8.600  -7.189  -6.251
  600    HB   ILE  71           HB       ILE  71  -8.232  -8.163  -4.006
  601   1HG1  ILE  71          2HG1      ILE  71  -7.653  -5.371  -3.395
  602   2HG1  ILE  71          1HG1      ILE  71  -8.838  -5.539  -4.685
  603   1HG2  ILE  71          1HG2      ILE  71  -5.612  -7.887  -4.427
  604   2HG2  ILE  71          2HG2      ILE  71  -6.316  -7.976  -2.812
  605   3HG2  ILE  71          3HG2      ILE  71  -5.901  -6.410  -3.508
  606   1HD1  ILE  71          1HD1      ILE  71 -10.284  -5.625  -2.976
  607   2HD1  ILE  71          2HD1      ILE  71  -9.056  -6.149  -1.823
  608   3HD1  ILE  71          3HD1      ILE  71  -9.800  -7.320  -2.910
  609    H    ARG  72           H        ARG  72  -8.370  -5.153  -6.933
  610    HA   ARG  72           HA       ARG  72  -5.630  -4.124  -7.278
  611   1HB   ARG  72          2HB       ARG  72  -8.110  -3.697  -8.944
  612   2HB   ARG  72          1HB       ARG  72  -6.662  -2.715  -9.117
  613   1HG   ARG  72          2HG       ARG  72  -6.296  -5.643  -9.240
  614   2HG   ARG  72          1HG       ARG  72  -7.141  -4.884 -10.591
  615   1HD   ARG  72          2HD       ARG  72  -5.077  -4.525 -11.396
  616   2HD   ARG  72          1HD       ARG  72  -5.051  -3.185 -10.251
  617    HE   ARG  72           HE       ARG  72  -4.149  -5.262  -8.779
  618   1HH1  ARG  72          1HH1      ARG  72  -3.221  -3.967 -11.883
  619   2HH1  ARG  72          2HH1      ARG  72  -1.564  -4.444 -11.728
  620   1HH2  ARG  72          1HH2      ARG  72  -1.969  -5.890  -8.571
  621   2HH2  ARG  72          2HH2      ARG  72  -0.853  -5.539  -9.848
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1   8.584  11.923  18.342
    2   2H    MET   1          2HT       MET   1   8.355  10.955  16.942
    3   3H    MET   1          3HT       MET   1   9.764  11.923  17.098
    4    HA   MET   1           HA       MET   1  10.269  10.611  19.136
    5   1HB   MET   1          2HB       MET   1   7.839   9.727  19.082
    6   2HB   MET   1          1HB       MET   1   8.423   8.605  17.861
    7   1HG   MET   1          2HG       MET   1   9.884   7.557  19.370
    8   2HG   MET   1          1HG       MET   1   9.721   8.854  20.552
    9   1HE   MET   1          1HE       MET   1   7.832   5.002  20.373
   10   2HE   MET   1          2HE       MET   1   8.849   5.513  21.719
   11   3HE   MET   1          3HE       MET   1   9.434   5.669  20.063
   12    H    SER   2           H        SER   2   9.454   9.649  15.820
   13    HA   SER   2           HA       SER   2  12.201   8.615  15.539
   14   1HB   SER   2          2HB       SER   2  10.882   7.252  13.603
   15   2HB   SER   2          1HB       SER   2  11.136   6.627  15.233
   16    HG   SER   2           HG       SER   2   8.836   7.956  14.238
   17    H    GLU   3           H        GLU   3   9.412   9.785  13.650
   18    HA   GLU   3           HA       GLU   3  11.285  11.362  12.027
   19   1HB   GLU   3          2HB       GLU   3  10.385   9.157  10.956
   20   2HB   GLU   3          1HB       GLU   3   8.896  10.069  10.758
   21   1HG   GLU   3          2HG       GLU   3   9.704  10.913   8.886
   22   2HG   GLU   3          1HG       GLU   3  10.953  11.730   9.825
   23    H    LYS   4           H        LYS   4  10.574  13.371  11.418
   24    HA   LYS   4           HA       LYS   4   8.615  14.627  12.963
   25   1HB   LYS   4          2HB       LYS   4  10.350  15.356  10.721
   26   2HB   LYS   4          1HB       LYS   4   8.831  16.239  10.738
   27   1HG   LYS   4          2HG       LYS   4   9.530  16.478  13.321
   28   2HG   LYS   4          1HG       LYS   4  11.126  16.379  12.575
   29   1HD   LYS   4          2HD       LYS   4  10.852  18.606  12.323
   30   2HD   LYS   4          1HD       LYS   4   9.923  18.121  10.904
   31   1HE   LYS   4          2HE       LYS   4   7.886  18.475  11.958
   32   2HE   LYS   4          1HE       LYS   4   8.590  18.363  13.571
   33   1HZ   LYS   4          1HZ       LYS   4   8.639  20.625  11.684
   34   2HZ   LYS   4          2HZ       LYS   4   9.841  20.484  12.865
   35   3HZ   LYS   4          3HZ       LYS   4   8.218  20.611  13.323
   36    HA   PRO   5           HA       PRO   5   5.592  14.356   9.284
   37   1HB   PRO   5          2HB       PRO   5   6.324  13.278   6.954
   38   2HB   PRO   5          1HB       PRO   5   6.807  14.922   7.393
   39   1HG   PRO   5          2HG       PRO   5   8.390  12.384   7.518
   40   2HG   PRO   5          1HG       PRO   5   8.895  13.992   6.969
   41   1HD   PRO   5          2HD       PRO   5   9.421  12.963   9.473
   42   2HD   PRO   5          1HD       PRO   5   9.364  14.694   9.092
   43    H    LEU   6           H        LEU   6   6.230  12.234  11.177
   44    HA   LEU   6           HA       LEU   6   5.554  10.144  11.753
   45   1HB   LEU   6          2HB       LEU   6   3.727  10.522   9.382
   46   2HB   LEU   6          1HB       LEU   6   3.574   9.241  10.567
   47    HG   LEU   6           HG       LEU   6   2.825  12.098  10.759
   48   1HD1  LEU   6          1HD1      LEU   6   0.888  11.269  11.651
   49   2HD1  LEU   6          2HD1      LEU   6   1.688   9.874  12.375
   50   3HD1  LEU   6          3HD1      LEU   6   1.383   9.913  10.639
   51   1HD2  LEU   6          1HD2      LEU   6   2.910  11.871  13.300
   52   2HD2  LEU   6          2HD2      LEU   6   4.428  12.215  12.471
   53   3HD2  LEU   6          3HD2      LEU   6   4.079  10.579  13.029
   54    H    THR   7           H        THR   7   5.556   7.860  11.113
   55    HA   THR   7           HA       THR   7   7.365   7.407   8.833
   56    HB   THR   7           HB       THR   7   7.674   5.155  10.248
   57    HG1  THR   7           1HG      THR   7   7.474   5.506  12.400
   58   1HG2  THR   7          1HG2      THR   7   9.740   5.875  10.646
   59   2HG2  THR   7          2HG2      THR   7   9.179   7.287  11.541
   60   3HG2  THR   7          3HG2      THR   7   9.249   7.329   9.779
   61    H    LYS   8           H        LYS   8   7.206   4.900   8.221
   62    HA   LYS   8           HA       LYS   8   4.773   4.577   6.881
   63   1HB   LYS   8          2HB       LYS   8   7.247   3.339   6.845
   64   2HB   LYS   8          1HB       LYS   8   6.168   2.064   7.394
   65   1HG   LYS   8          2HG       LYS   8   5.527   1.718   5.307
   66   2HG   LYS   8          1HG       LYS   8   4.900   3.365   5.227
   67   1HD   LYS   8          2HD       LYS   8   7.598   3.747   4.924
   68   2HD   LYS   8          1HD       LYS   8   7.335   2.219   4.080
   69   1HE   LYS   8          2HE       LYS   8   5.242   3.687   3.170
   70   2HE   LYS   8          1HE       LYS   8   6.462   4.941   3.392
   71   1HZ   LYS   8          1HZ       LYS   8   7.074   4.303   1.342
   72   2HZ   LYS   8          2HZ       LYS   8   6.366   2.771   1.471
   73   3HZ   LYS   8          3HZ       LYS   8   7.887   3.060   2.154
   74    H    THR   9           H        THR   9   5.803   3.549  10.049
   75    HA   THR   9           HA       THR   9   3.620   1.716  10.432
   76    HB   THR   9           HB       THR   9   4.492   2.096  12.931
   77    HG1  THR   9           1HG      THR   9   5.957   3.671  12.632
   78   1HG2  THR   9          1HG2      THR   9   6.358   0.450  12.438
   79   2HG2  THR   9          2HG2      THR   9   5.817   0.512  10.761
   80   3HG2  THR   9          3HG2      THR   9   4.717  -0.045  12.023
   81    H    ASP  10           H        ASP  10   4.237   5.090  11.051
   82    HA   ASP  10           HA       ASP  10   2.230   5.560  12.965
   83   1HB   ASP  10          2HB       ASP  10   3.664   7.303  10.984
   84   2HB   ASP  10          1HB       ASP  10   2.344   7.953  11.951
   85    H    TYR  11           H        TYR  11   2.173   5.941   9.422
   86    HA   TYR  11           HA       TYR  11  -0.602   6.630   9.366
   87   1HB   TYR  11          2HB       TYR  11   1.487   6.035   7.312
   88   2HB   TYR  11          1HB       TYR  11  -0.206   6.006   6.831
   89    HD1  TYR  11           1HD      TYR  11   1.762   8.242   9.095
   90    HD2  TYR  11           2HD      TYR  11  -0.720   7.922   5.654
   91    HE1  TYR  11           1HE      TYR  11   1.798  10.688   8.849
   92    HE2  TYR  11           2HE      TYR  11  -0.689  10.369   5.399
   93    HH   TYR  11           HH       TYR  11   1.454  12.328   6.710
   94    H    LEU  12           H        LEU  12   1.254   3.691   8.703
   95    HA   LEU  12           HA       LEU  12  -0.788   2.067   7.753
   96   1HB   LEU  12          2HB       LEU  12   1.512   1.365   7.657
   97   2HB   LEU  12          1HB       LEU  12   1.637   1.378   9.406
   98    HG   LEU  12           HG       LEU  12  -0.410  -0.405   8.999
   99   1HD1  LEU  12          1HD1      LEU  12   1.415  -0.446   6.646
  100   2HD1  LEU  12          2HD1      LEU  12  -0.323  -0.727   6.732
  101   3HD1  LEU  12          3HD1      LEU  12   0.798  -1.969   7.286
  102   1HD2  LEU  12          1HD2      LEU  12   1.677  -2.072   9.162
  103   2HD2  LEU  12          2HD2      LEU  12   1.093  -1.126  10.530
  104   3HD2  LEU  12          3HD2      LEU  12   2.480  -0.564   9.597
  105    H    MET  13           H        MET  13   0.169   2.763  11.086
  106    HA   MET  13           HA       MET  13  -1.718   0.952  12.239
  107   1HB   MET  13          2HB       MET  13  -0.074   3.204  13.390
  108   2HB   MET  13          1HB       MET  13  -1.159   2.221  14.363
  109   1HG   MET  13          2HG       MET  13   0.781   0.757  12.696
  110   2HG   MET  13          1HG       MET  13   1.444   1.689  14.036
  111   1HE   MET  13          1HE       MET  13  -1.272  -1.038  13.085
  112   2HE   MET  13          2HE       MET  13  -2.136   0.173  14.033
  113   3HE   MET  13          3HE       MET  13  -1.877  -1.443  14.692
  114    H    ARG  14           H        ARG  14  -1.638   4.445  11.673
  115    HA   ARG  14           HA       ARG  14  -4.074   5.026  12.979
  116   1HB   ARG  14          2HB       ARG  14  -2.565   6.491  10.813
  117   2HB   ARG  14          1HB       ARG  14  -4.002   7.134  11.596
  118   1HG   ARG  14          2HG       ARG  14  -1.570   6.307  13.148
  119   2HG   ARG  14          1HG       ARG  14  -1.759   7.925  12.470
  120   1HD   ARG  14          2HD       ARG  14  -3.924   8.103  13.706
  121   2HD   ARG  14          1HD       ARG  14  -3.539   6.571  14.489
  122    HE   ARG  14           HE       ARG  14  -1.487   8.570  14.756
  123   1HH1  ARG  14          1HH1      ARG  14  -4.433   7.285  16.115
  124   2HH1  ARG  14          2HH1      ARG  14  -4.111   7.892  17.704
  125   1HH2  ARG  14          1HH2      ARG  14  -1.062   9.368  16.845
  126   2HH2  ARG  14          2HH2      ARG  14  -2.198   9.074  18.120
  127    H    LEU  15           H        LEU  15  -3.288   4.169   9.646
  128    HA   LEU  15           HA       LEU  15  -5.781   4.683   8.486
  129   1HB   LEU  15          2HB       LEU  15  -3.415   3.863   7.527
  130   2HB   LEU  15          1HB       LEU  15  -4.256   2.325   7.533
  131    HG   LEU  15           HG       LEU  15  -5.691   4.604   6.298
  132   1HD1  LEU  15          1HD1      LEU  15  -4.439   4.746   4.368
  133   2HD1  LEU  15          2HD1      LEU  15  -3.615   3.216   4.664
  134   3HD1  LEU  15          3HD1      LEU  15  -3.186   4.644   5.605
  135   1HD2  LEU  15          1HD2      LEU  15  -5.428   1.656   5.929
  136   2HD2  LEU  15          2HD2      LEU  15  -6.006   2.651   4.593
  137   3HD2  LEU  15          3HD2      LEU  15  -6.877   2.640   6.126
  138    H    ARG  16           H        ARG  16  -4.523   1.748  10.028
  139    HA   ARG  16           HA       ARG  16  -6.919   0.245   9.587
  140   1HB   ARG  16          2HB       ARG  16  -4.455  -0.557  10.035
  141   2HB   ARG  16          1HB       ARG  16  -4.943  -0.460  11.721
  142   1HG   ARG  16          2HG       ARG  16  -6.393  -2.211  11.550
  143   2HG   ARG  16          1HG       ARG  16  -6.710  -1.926   9.838
  144   1HD   ARG  16          2HD       ARG  16  -4.969  -3.196   9.170
  145   2HD   ARG  16          1HD       ARG  16  -3.944  -2.678  10.509
  146    HE   ARG  16           HE       ARG  16  -5.770  -4.263  11.714
  147   1HH1  ARG  16          1HH1      ARG  16  -3.684  -4.713   8.954
  148   2HH1  ARG  16          2HH1      ARG  16  -3.534  -6.422   9.189
  149   1HH2  ARG  16          1HH2      ARG  16  -5.573  -6.511  12.026
  150   2HH2  ARG  16          2HH2      ARG  16  -4.607  -7.443  10.932
  151    H    ARG  17           H        ARG  17  -5.790   2.427  12.028
  152    HA   ARG  17           HA       ARG  17  -7.284   1.629  14.233
  153   1HB   ARG  17          2HB       ARG  17  -5.518   3.406  14.192
  154   2HB   ARG  17          1HB       ARG  17  -6.687   4.483  13.441
  155   1HG   ARG  17          2HG       ARG  17  -8.131   3.814  15.546
  156   2HG   ARG  17          1HG       ARG  17  -6.539   3.487  16.232
  157   1HD   ARG  17          2HD       ARG  17  -6.424   5.661  16.703
  158   2HD   ARG  17          1HD       ARG  17  -6.234   5.933  14.972
  159    HE   ARG  17           HE       ARG  17  -8.924   5.812  15.311
  160   1HH1  ARG  17          1HH1      ARG  17  -6.386   7.691  16.796
  161   2HH1  ARG  17          2HH1      ARG  17  -7.408   9.053  17.110
  162   1HH2  ARG  17          1HH2      ARG  17 -10.269   7.603  15.722
  163   2HH2  ARG  17          2HH2      ARG  17  -9.613   9.003  16.502
  164    H    CYS  18           H        CYS  18  -8.325   3.074  11.276
  165    HA   CYS  18           HA       CYS  18 -10.627   4.417  11.998
  166   1HB   CYS  18          2HB       CYS  18  -9.459   3.757   9.631
  167   2HB   CYS  18          1HB       CYS  18 -10.890   2.733   9.589
  168    HG   CYS  18           HG       CYS  18 -12.274   5.026   9.954
  169    H    GLN  19           H        GLN  19 -12.916   3.583  11.370
  170    HA   GLN  19           HA       GLN  19 -13.348   1.123  12.904
  171   1HB   GLN  19          2HB       GLN  19 -15.715   1.930  13.049
  172   2HB   GLN  19          1HB       GLN  19 -14.537   2.993  13.807
  173   1HG   GLN  19          2HG       GLN  19 -14.653   4.543  12.020
  174   2HG   GLN  19          1HG       GLN  19 -15.576   3.421  11.022
  175   1HE2  GLN  19          1HE2      GLN  19 -16.083   6.185  12.117
  176   2HE2  GLN  19          2HE2      GLN  19 -17.644   6.073  12.849
  177    H    THR  20           H        THR  20 -14.115   2.663   9.831
  178    HA   THR  20           HA       THR  20 -14.777   0.028   8.746
  179    HB   THR  20           HB       THR  20 -16.914   1.125   9.343
  180    HG1  THR  20           1HG      THR  20 -16.882  -0.246   7.545
  181   1HG2  THR  20          1HG2      THR  20 -16.974   3.348   9.127
  182   2HG2  THR  20          2HG2      THR  20 -17.413   2.992   7.456
  183   3HG2  THR  20          3HG2      THR  20 -15.739   3.364   7.869
  184    H    ILE  21           H        ILE  21 -14.724  -0.043   6.389
  185    HA   ILE  21           HA       ILE  21 -12.471   1.391   5.368
  186    HB   ILE  21           HB       ILE  21 -14.396  -0.430   3.918
  187   1HG1  ILE  21          2HG1      ILE  21 -13.323  -1.607   5.744
  188   2HG1  ILE  21          1HG1      ILE  21 -12.610  -2.133   4.223
  189   1HG2  ILE  21          1HG2      ILE  21 -12.626  -0.658   2.255
  190   2HG2  ILE  21          2HG2      ILE  21 -11.635   0.498   3.146
  191   3HG2  ILE  21          3HG2      ILE  21 -13.148   1.021   2.406
  192   1HD1  ILE  21          1HD1      ILE  21 -11.431  -0.366   6.331
  193   2HD1  ILE  21          2HD1      ILE  21 -10.786  -0.412   4.690
  194   3HD1  ILE  21          3HD1      ILE  21 -10.804  -1.877   5.672
  195    H    ASP  22           H        ASP  22 -15.960   1.536   4.879
  196    HA   ASP  22           HA       ASP  22 -16.095   3.171   2.651
  197   1HB   ASP  22          2HB       ASP  22 -17.895   2.887   5.046
  198   2HB   ASP  22          1HB       ASP  22 -18.281   4.000   3.738
  199    H    THR  23           H        THR  23 -15.996   4.179   6.072
  200    HA   THR  23           HA       THR  23 -15.882   6.957   5.426
  201    HB   THR  23           HB       THR  23 -15.823   5.298   7.871
  202    HG1  THR  23           1HG      THR  23 -17.038   7.713   7.055
  203   1HG2  THR  23          1HG2      THR  23 -15.135   7.143   9.321
  204   2HG2  THR  23          2HG2      THR  23 -14.635   8.061   7.901
  205   3HG2  THR  23          3HG2      THR  23 -13.812   6.556   8.313
  206    H    LEU  24           H        LEU  24 -13.539   4.428   5.944
  207    HA   LEU  24           HA       LEU  24 -11.278   6.117   6.309
  208   1HB   LEU  24          2HB       LEU  24 -11.157   3.857   7.079
  209   2HB   LEU  24          1HB       LEU  24 -11.570   3.228   5.497
  210    HG   LEU  24           HG       LEU  24  -9.130   3.050   6.283
  211   1HD1  LEU  24          1HD1      LEU  24  -9.131   4.382   3.656
  212   2HD1  LEU  24          2HD1      LEU  24 -10.253   3.035   3.845
  213   3HD1  LEU  24          3HD1      LEU  24  -8.529   2.792   4.129
  214   1HD2  LEU  24          1HD2      LEU  24  -8.612   5.696   5.124
  215   2HD2  LEU  24          2HD2      LEU  24  -7.825   4.868   6.467
  216   3HD2  LEU  24          3HD2      LEU  24  -9.350   5.715   6.725
  217    H    GLU  25           H        GLU  25 -12.787   4.597   3.497
  218    HA   GLU  25           HA       GLU  25 -10.805   5.151   1.607
  219   1HB   GLU  25          2HB       GLU  25 -12.901   3.731   1.319
  220   2HB   GLU  25          1HB       GLU  25 -13.767   5.236   1.041
  221   1HG   GLU  25          2HG       GLU  25 -11.340   4.798  -0.578
  222   2HG   GLU  25          1HG       GLU  25 -12.720   3.754  -0.918
  223    H    ARG  26           H        ARG  26 -13.441   7.133   2.843
  224    HA   ARG  26           HA       ARG  26 -13.258   9.274   1.061
  225   1HB   ARG  26          2HB       ARG  26 -15.110   9.014   2.638
  226   2HB   ARG  26          1HB       ARG  26 -14.019   9.297   3.988
  227   1HG   ARG  26          2HG       ARG  26 -13.698  11.497   2.288
  228   2HG   ARG  26          1HG       ARG  26 -15.433  11.186   2.350
  229   1HD   ARG  26          2HD       ARG  26 -15.590  11.876   4.475
  230   2HD   ARG  26          1HD       ARG  26 -14.133  11.009   4.957
  231    HE   ARG  26           HE       ARG  26 -13.614  13.380   3.417
  232   1HH1  ARG  26          1HH1      ARG  26 -14.181  12.114   6.619
  233   2HH1  ARG  26          2HH1      ARG  26 -13.375  13.424   7.415
  234   1HH2  ARG  26          1HH2      ARG  26 -12.552  15.103   4.462
  235   2HH2  ARG  26          2HH2      ARG  26 -12.451  15.121   6.191
  236    H    VAL  27           H        VAL  27 -11.372   8.488   3.927
  237    HA   VAL  27           HA       VAL  27 -10.017  11.015   3.959
  238    HB   VAL  27           HB       VAL  27 -10.372   9.535   5.992
  239   1HG1  VAL  27          1HG1      VAL  27  -8.631   7.791   4.453
  240   2HG1  VAL  27          2HG1      VAL  27  -9.636   7.443   5.857
  241   3HG1  VAL  27          3HG1      VAL  27  -8.017   8.105   6.076
  242   1HG2  VAL  27          1HG2      VAL  27  -7.778  10.003   6.616
  243   2HG2  VAL  27          2HG2      VAL  27  -9.040  11.235   6.607
  244   3HG2  VAL  27          3HG2      VAL  27  -7.981  11.047   5.209
  245    H    ILE  28           H        ILE  28  -9.537   7.950   2.410
  246    HA   ILE  28           HA       ILE  28  -6.787   8.066   1.893
  247    HB   ILE  28           HB       ILE  28  -8.915   6.932   0.069
  248   1HG1  ILE  28          2HG1      ILE  28  -7.409   5.661   2.366
  249   2HG1  ILE  28          1HG1      ILE  28  -9.136   5.983   2.295
  250   1HG2  ILE  28          1HG2      ILE  28  -6.652   7.241  -0.921
  251   2HG2  ILE  28          2HG2      ILE  28  -7.179   5.560  -0.852
  252   3HG2  ILE  28          3HG2      ILE  28  -6.011   6.165   0.321
  253   1HD1  ILE  28          1HD1      ILE  28  -9.173   3.793   1.751
  254   2HD1  ILE  28          2HD1      ILE  28  -7.556   3.824   1.050
  255   3HD1  ILE  28          3HD1      ILE  28  -8.926   4.451   0.134
  256    H    GLU  29           H        GLU  29  -9.542   9.493   0.230
  257    HA   GLU  29           HA       GLU  29  -8.000  10.530  -1.950
  258   1HB   GLU  29          2HB       GLU  29 -10.806  10.619  -1.060
  259   2HB   GLU  29          1HB       GLU  29 -10.268  12.050  -1.929
  260   1HG   GLU  29          2HG       GLU  29 -10.646  10.968  -3.817
  261   2HG   GLU  29          1HG       GLU  29  -9.312   9.890  -3.411
  262    H    LYS  30           H        LYS  30  -9.323  11.878   1.047
  263    HA   LYS  30           HA       LYS  30  -8.495  14.538   0.583
  264   1HB   LYS  30          2HB       LYS  30  -9.577  12.986   2.831
  265   2HB   LYS  30          1HB       LYS  30  -8.546  14.326   3.314
  266   1HG   LYS  30          2HG       LYS  30 -10.724  14.762   1.319
  267   2HG   LYS  30          1HG       LYS  30 -11.094  14.693   3.043
  268   1HD   LYS  30          2HD       LYS  30 -10.231  16.725   3.415
  269   2HD   LYS  30          1HD       LYS  30  -8.801  16.388   2.437
  270   1HE   LYS  30          2HE       LYS  30  -9.970  18.198   1.413
  271   2HE   LYS  30          1HE       LYS  30 -10.200  16.771   0.403
  272   1HZ   LYS  30          1HZ       LYS  30 -12.260  18.002   0.695
  273   2HZ   LYS  30          2HZ       LYS  30 -12.159  17.821   2.373
  274   3HZ   LYS  30          3HZ       LYS  30 -12.381  16.463   1.390
  275    H    ASN  31           H        ASN  31  -7.004  11.887   2.428
  276    HA   ASN  31           HA       ASN  31  -4.729  13.380   3.225
  277   1HB   ASN  31          2HB       ASN  31  -5.579  10.550   3.331
  278   2HB   ASN  31          1HB       ASN  31  -3.841  10.827   3.355
  279   1HD2  ASN  31          1HD2      ASN  31  -2.931  11.280   5.229
  280   2HD2  ASN  31          2HD2      ASN  31  -3.762  11.758   6.666
  281    H    LYS  32           H        LYS  32  -5.496  11.470   0.401
  282    HA   LYS  32           HA       LYS  32  -2.911  11.086  -0.607
  283   1HB   LYS  32          2HB       LYS  32  -5.656  10.977  -1.670
  284   2HB   LYS  32          1HB       LYS  32  -4.413  11.299  -2.871
  285   1HG   LYS  32          2HG       LYS  32  -3.600   9.156  -1.133
  286   2HG   LYS  32          1HG       LYS  32  -5.184   8.824  -1.836
  287   1HD   LYS  32          2HD       LYS  32  -2.855   9.748  -3.497
  288   2HD   LYS  32          1HD       LYS  32  -3.143   8.042  -3.149
  289   1HE   LYS  32          2HE       LYS  32  -5.123   9.902  -4.460
  290   2HE   LYS  32          1HE       LYS  32  -4.084   8.765  -5.319
  291   1HZ   LYS  32          1HZ       LYS  32  -6.234   8.108  -3.381
  292   2HZ   LYS  32          2HZ       LYS  32  -5.145   6.970  -4.000
  293   3HZ   LYS  32          3HZ       LYS  32  -6.212   7.772  -5.039
  294    H    TYR  33           H        TYR  33  -5.114  13.817  -0.845
  295    HA   TYR  33           HA       TYR  33  -3.204  15.247  -2.541
  296   1HB   TYR  33          2HB       TYR  33  -5.989  15.160  -2.503
  297   2HB   TYR  33          1HB       TYR  33  -5.595  16.738  -1.831
  298    HD1  TYR  33           1HD      TYR  33  -5.432  18.483  -3.324
  299    HD2  TYR  33           2HD      TYR  33  -4.505  14.555  -4.669
  300    HE1  TYR  33           1HE      TYR  33  -5.053  19.357  -5.591
  301    HE2  TYR  33           2HE      TYR  33  -4.122  15.419  -6.940
  302    HH   TYR  33           HH       TYR  33  -4.697  17.304  -8.316
  303    H    GLU  34           H        GLU  34  -4.317  15.097   0.719
  304    HA   GLU  34           HA       GLU  34  -3.827  17.693   1.601
  305   1HB   GLU  34          2HB       GLU  34  -4.480  15.228   2.773
  306   2HB   GLU  34          1HB       GLU  34  -3.018  15.760   3.589
  307   1HG   GLU  34          2HG       GLU  34  -4.344  18.039   3.714
  308   2HG   GLU  34          1HG       GLU  34  -5.730  16.960   3.568
  309    H    LEU  35           H        LEU  35  -1.624  14.960   2.256
  310    HA   LEU  35           HA       LEU  35   0.573  16.709   2.717
  311   1HB   LEU  35          2HB       LEU  35   1.846  14.823   3.195
  312   2HB   LEU  35          1HB       LEU  35   0.247  14.414   3.731
  313    HG   LEU  35           HG       LEU  35   1.957  13.071   1.823
  314   1HD1  LEU  35          1HD1      LEU  35   0.936  11.226   2.642
  315   2HD1  LEU  35          2HD1      LEU  35  -0.644  11.998   2.739
  316   3HD1  LEU  35          3HD1      LEU  35   0.588  12.353   3.948
  317   1HD2  LEU  35          1HD2      LEU  35   0.797  13.674  -0.036
  318   2HD2  LEU  35          2HD2      LEU  35  -0.692  13.998   0.852
  319   3HD2  LEU  35          3HD2      LEU  35  -0.213  12.338   0.511
  320    H    SER  36           H        SER  36   2.611  15.156   1.454
  321    HA   SER  36           HA       SER  36   2.267  16.004  -1.343
  322   1HB   SER  36          2HB       SER  36   4.898  15.913   0.142
  323   2HB   SER  36          1HB       SER  36   4.571  16.646  -1.428
  324    HG   SER  36           HG       SER  36   3.848  18.374  -0.462
  325    H    ASP  37           H        ASP  37   4.249  14.880  -2.623
  326    HA   ASP  37           HA       ASP  37   3.568  12.173  -2.819
  327   1HB   ASP  37          2HB       ASP  37   4.943  13.903  -4.392
  328   2HB   ASP  37          1HB       ASP  37   6.268  12.931  -3.758
  329    H    ASN  38           H        ASN  38   5.852  13.810  -0.788
  330    HA   ASN  38           HA       ASN  38   7.494  11.557  -0.228
  331   1HB   ASN  38          2HB       ASN  38   8.174  13.953   0.054
  332   2HB   ASN  38          1HB       ASN  38   7.134  14.020   1.475
  333   1HD2  ASN  38          1HD2      ASN  38  10.174  14.015   0.799
  334   2HD2  ASN  38          2HD2      ASN  38  10.826  12.983   2.022
  335    H    GLU  39           H        GLU  39   4.840  13.100   1.622
  336    HA   GLU  39           HA       GLU  39   4.999  11.039   3.633
  337   1HB   GLU  39          2HB       GLU  39   2.542  12.602   3.674
  338   2HB   GLU  39          1HB       GLU  39   3.758  12.394   4.916
  339   1HG   GLU  39          2HG       GLU  39   3.823  14.358   2.640
  340   2HG   GLU  39          1HG       GLU  39   3.555  14.716   4.344
  341    H    LEU  40           H        LEU  40   3.156  11.682   0.760
  342    HA   LEU  40           HA       LEU  40   0.981   9.979   1.152
  343   1HB   LEU  40          2HB       LEU  40   1.178  11.586  -0.682
  344   2HB   LEU  40          1HB       LEU  40   2.420  10.599  -1.424
  345    HG   LEU  40           HG       LEU  40  -0.143   9.232  -0.891
  346   1HD1  LEU  40          1HD1      LEU  40  -1.210  11.154  -1.621
  347   2HD1  LEU  40          2HD1      LEU  40  -0.985  10.243  -3.115
  348   3HD1  LEU  40          3HD1      LEU  40   0.095  11.581  -2.727
  349   1HD2  LEU  40          1HD2      LEU  40   2.090   8.595  -2.242
  350   2HD2  LEU  40          2HD2      LEU  40   1.134   9.289  -3.552
  351   3HD2  LEU  40          3HD2      LEU  40   0.502   7.930  -2.621
  352    H    ALA  41           H        ALA  41   4.278   9.298   0.136
  353    HA   ALA  41           HA       ALA  41   3.946   6.687  -0.795
  354   1HB   ALA  41          1HB       ALA  41   6.286   6.367  -0.363
  355   2HB   ALA  41          2HB       ALA  41   6.303   7.694   0.798
  356   3HB   ALA  41          3HB       ALA  41   6.056   8.026  -0.917
  357    H    VAL  42           H        VAL  42   3.987   8.042   2.399
  358    HA   VAL  42           HA       VAL  42   4.157   5.542   3.797
  359    HB   VAL  42           HB       VAL  42   3.243   8.238   4.823
  360   1HG1  VAL  42          1HG1      VAL  42   4.538   6.523   6.741
  361   2HG1  VAL  42          2HG1      VAL  42   3.141   5.718   6.028
  362   3HG1  VAL  42          3HG1      VAL  42   2.950   7.287   6.810
  363   1HG2  VAL  42          1HG2      VAL  42   5.956   7.035   4.470
  364   2HG2  VAL  42          2HG2      VAL  42   5.654   8.156   5.797
  365   3HG2  VAL  42          3HG2      VAL  42   5.402   8.674   4.131
  366    H    PHE  43           H        PHE  43   1.610   7.678   2.615
  367    HA   PHE  43           HA       PHE  43  -0.488   6.331   4.040
  368   1HB   PHE  43          2HB       PHE  43  -0.479   8.747   3.114
  369   2HB   PHE  43          1HB       PHE  43  -0.914   8.003   1.579
  370    HD1  PHE  43           1HD      PHE  43  -3.010   6.607   1.467
  371    HD2  PHE  43           2HD      PHE  43  -2.087   9.125   4.770
  372    HE1  PHE  43           1HE      PHE  43  -5.372   6.565   2.156
  373    HE2  PHE  43           2HE      PHE  43  -4.447   9.088   5.465
  374    HZ   PHE  43           HZ       PHE  43  -6.093   7.806   4.157
  375    H    TYR  44           H        TYR  44   0.761   6.244   0.726
  376    HA   TYR  44           HA       TYR  44  -1.151   4.487  -0.337
  377   1HB   TYR  44          2HB       TYR  44   0.960   5.865  -1.363
  378   2HB   TYR  44          1HB       TYR  44   1.595   4.222  -1.387
  379    HD1  TYR  44           1HD      TYR  44  -1.087   6.419  -2.648
  380    HD2  TYR  44           2HD      TYR  44   0.773   2.604  -2.941
  381    HE1  TYR  44           1HE      TYR  44  -2.331   5.978  -4.722
  382    HE2  TYR  44           2HE      TYR  44  -0.465   2.153  -5.016
  383    HH   TYR  44           HH       TYR  44  -2.207   4.591  -6.684
  384    H    SER  45           H        SER  45   1.944   3.880   1.268
  385    HA   SER  45           HA       SER  45   2.086   1.120   0.865
  386   1HB   SER  45          2HB       SER  45   3.529   1.116   2.919
  387   2HB   SER  45          1HB       SER  45   3.997   2.321   1.720
  388    HG   SER  45           HG       SER  45   2.545   2.738   4.118
  389    H    ALA  46           H        ALA  46   0.597   2.971   3.503
  390    HA   ALA  46           HA       ALA  46  -0.230   0.802   5.067
  391   1HB   ALA  46          1HB       ALA  46  -1.489   3.528   4.773
  392   2HB   ALA  46          2HB       ALA  46  -0.231   3.069   5.921
  393   3HB   ALA  46          3HB       ALA  46  -1.847   2.375   6.058
  394    H    ALA  47           H        ALA  47  -1.583   2.211   2.179
  395    HA   ALA  47           HA       ALA  47  -4.189   1.177   2.341
  396   1HB   ALA  47          1HB       ALA  47  -4.478   2.045   0.278
  397   2HB   ALA  47          2HB       ALA  47  -2.981   1.350  -0.343
  398   3HB   ALA  47          3HB       ALA  47  -2.935   2.824   0.623
  399    H    ASP  48           H        ASP  48  -1.254  -0.147   0.833
  400    HA   ASP  48           HA       ASP  48  -2.362  -2.458  -0.252
  401   1HB   ASP  48          2HB       ASP  48   0.359  -1.605   0.571
  402   2HB   ASP  48          1HB       ASP  48   0.107  -3.335   0.356
  403    H    HIS  49           H        HIS  49  -0.892  -1.973   2.949
  404    HA   HIS  49           HA       HIS  49  -1.216  -4.592   3.889
  405   1HB   HIS  49          2HB       HIS  49   0.225  -3.016   5.038
  406   2HB   HIS  49          1HB       HIS  49  -1.142  -1.967   5.394
  407    HD1  HIS  49           1HD      HIS  49  -0.790  -5.712   5.968
  408    HD2  HIS  49           2HD      HIS  49  -1.420  -2.188   8.079
  409    HE1  HIS  49           1HE      HIS  49  -1.193  -6.416   8.348
  410    HE2  HIS  49           2HE      HIS  49  -1.483  -4.263   9.622
  411    H    ARG  50           H        ARG  50  -3.347  -1.764   4.147
  412    HA   ARG  50           HA       ARG  50  -5.350  -3.022   5.686
  413   1HB   ARG  50          2HB       ARG  50  -4.992  -0.511   5.198
  414   2HB   ARG  50          1HB       ARG  50  -5.900  -0.811   3.722
  415   1HG   ARG  50          2HG       ARG  50  -7.647  -0.238   5.012
  416   2HG   ARG  50          1HG       ARG  50  -7.559  -1.928   5.516
  417   1HD   ARG  50          2HD       ARG  50  -6.715  -1.416   7.565
  418   2HD   ARG  50          1HD       ARG  50  -5.857   0.007   6.975
  419    HE   ARG  50           HE       ARG  50  -7.698   1.282   7.458
  420   1HH1  ARG  50          1HH1      ARG  50  -8.596  -2.089   7.544
  421   2HH1  ARG  50          2HH1      ARG  50 -10.168  -1.782   8.203
  422   1HH2  ARG  50          1HH2      ARG  50  -9.764   1.687   8.325
  423   2HH2  ARG  50          2HH2      ARG  50 -10.831   0.362   8.646
  424    H    LEU  51           H        LEU  51  -5.050  -2.487   2.185
  425    HA   LEU  51           HA       LEU  51  -7.463  -3.702   1.436
  426   1HB   LEU  51          2HB       LEU  51  -5.241  -2.545   0.142
  427   2HB   LEU  51          1HB       LEU  51  -5.416  -4.152  -0.537
  428    HG   LEU  51           HG       LEU  51  -8.006  -3.186  -0.556
  429   1HD1  LEU  51          1HD1      LEU  51  -7.395  -0.993  -1.948
  430   2HD1  LEU  51          2HD1      LEU  51  -6.083  -0.951  -0.771
  431   3HD1  LEU  51          3HD1      LEU  51  -7.758  -0.961  -0.223
  432   1HD2  LEU  51          1HD2      LEU  51  -7.494  -4.300  -2.452
  433   2HD2  LEU  51          2HD2      LEU  51  -5.854  -3.655  -2.519
  434   3HD2  LEU  51          3HD2      LEU  51  -7.211  -2.673  -3.069
  435    H    ALA  52           H        ALA  52  -4.345  -5.029   2.251
  436    HA   ALA  52           HA       ALA  52  -4.603  -7.596   1.149
  437   1HB   ALA  52          1HB       ALA  52  -2.529  -6.542   2.122
  438   2HB   ALA  52          2HB       ALA  52  -2.807  -8.228   2.551
  439   3HB   ALA  52          3HB       ALA  52  -3.168  -6.953   3.713
  440    H    GLU  53           H        GLU  53  -5.320  -6.444   4.439
  441    HA   GLU  53           HA       GLU  53  -6.308  -8.894   5.409
  442   1HB   GLU  53          2HB       GLU  53  -5.582  -7.222   6.946
  443   2HB   GLU  53          1HB       GLU  53  -6.730  -6.050   6.315
  444   1HG   GLU  53          2HG       GLU  53  -8.113  -8.395   7.218
  445   2HG   GLU  53          1HG       GLU  53  -7.058  -7.782   8.489
  446    H    LEU  54           H        LEU  54  -7.807  -6.379   3.534
  447    HA   LEU  54           HA       LEU  54 -10.494  -7.174   4.133
  448   1HB   LEU  54          2HB       LEU  54  -9.221  -5.270   2.217
  449   2HB   LEU  54          1HB       LEU  54 -10.906  -5.706   2.011
  450    HG   LEU  54           HG       LEU  54 -10.048  -4.779   4.704
  451   1HD1  LEU  54          1HD1      LEU  54 -10.780  -2.439   3.524
  452   2HD1  LEU  54          2HD1      LEU  54  -9.813  -3.189   2.257
  453   3HD1  LEU  54          3HD1      LEU  54  -9.119  -2.926   3.856
  454   1HD2  LEU  54          1HD2      LEU  54 -12.262  -4.011   4.857
  455   2HD2  LEU  54          2HD2      LEU  54 -12.375  -5.560   4.023
  456   3HD2  LEU  54          3HD2      LEU  54 -12.489  -4.057   3.109
  457    H    THR  55           H        THR  55  -8.201  -7.839   1.538
  458    HA   THR  55           HA       THR  55 -10.173  -9.210  -0.051
  459    HB   THR  55           HB       THR  55  -7.185  -9.211  -0.443
  460    HG1  THR  55           1HG      THR  55  -7.344  -7.214  -1.010
  461   1HG2  THR  55          1HG2      THR  55  -8.985  -9.104  -2.747
  462   2HG2  THR  55          2HG2      THR  55  -9.040 -10.611  -1.830
  463   3HG2  THR  55          3HG2      THR  55  -7.510 -10.035  -2.493
  464    H    MET  56           H        MET  56  -7.378 -10.247   1.922
  465    HA   MET  56           HA       MET  56  -8.311 -13.014   1.538
  466   1HB   MET  56          2HB       MET  56  -5.741 -11.872   1.272
  467   2HB   MET  56          1HB       MET  56  -5.686 -12.925   2.678
  468   1HG   MET  56          2HG       MET  56  -7.051 -14.387   0.744
  469   2HG   MET  56          1HG       MET  56  -5.739 -13.592  -0.124
  470   1HE   MET  56          1HE       MET  56  -3.649 -13.156   1.723
  471   2HE   MET  56          2HE       MET  56  -2.888 -14.281   0.598
  472   3HE   MET  56          3HE       MET  56  -2.781 -14.563   2.336
  473    H    ASN  57           H        ASN  57  -8.622 -10.682   3.789
  474    HA   ASN  57           HA       ASN  57  -9.158 -10.703   6.010
  475   1HB   ASN  57          2HB       ASN  57 -10.237 -12.989   5.062
  476   2HB   ASN  57          1HB       ASN  57  -9.112 -13.657   6.241
  477   1HD2  ASN  57          1HD2      ASN  57  -9.496 -13.393   8.393
  478   2HD2  ASN  57          2HD2      ASN  57 -10.949 -12.703   9.025
  479    H    LYS  58           H        LYS  58  -7.833 -10.294   7.661
  480    HA   LYS  58           HA       LYS  58  -5.911 -10.193   8.882
  481   1HB   LYS  58          2HB       LYS  58  -6.292 -13.176   8.642
  482   2HB   LYS  58          1HB       LYS  58  -5.081 -12.446   9.685
  483   1HG   LYS  58          2HG       LYS  58  -8.062 -12.375   9.925
  484   2HG   LYS  58          1HG       LYS  58  -6.862 -12.888  11.109
  485   1HD   LYS  58          2HD       LYS  58  -7.540 -10.084  10.245
  486   2HD   LYS  58          1HD       LYS  58  -7.695 -10.794  11.852
  487   1HE   LYS  58          2HE       LYS  58  -5.004 -11.102  11.155
  488   2HE   LYS  58          1HE       LYS  58  -5.439  -9.476  10.631
  489   1HZ   LYS  58          1HZ       LYS  58  -5.721 -10.610  13.360
  490   2HZ   LYS  58          2HZ       LYS  58  -6.350  -9.111  12.893
  491   3HZ   LYS  58          3HZ       LYS  58  -4.679  -9.369  12.871
  492    H    LEU  59           H        LEU  59  -4.642  -9.190   7.305
  493    HA   LEU  59           HA       LEU  59  -2.714 -10.965   5.980
  494   1HB   LEU  59          2HB       LEU  59  -4.196  -8.605   5.005
  495   2HB   LEU  59          1HB       LEU  59  -2.533  -8.761   4.482
  496    HG   LEU  59           HG       LEU  59  -4.044  -9.749   2.843
  497   1HD1  LEU  59          1HD1      LEU  59  -3.080 -12.281   3.508
  498   2HD1  LEU  59          2HD1      LEU  59  -1.906 -11.142   4.163
  499   3HD1  LEU  59          3HD1      LEU  59  -2.326 -11.089   2.452
  500   1HD2  LEU  59          1HD2      LEU  59  -5.455 -10.616   5.101
  501   2HD2  LEU  59          2HD2      LEU  59  -4.853 -12.080   4.323
  502   3HD2  LEU  59          3HD2      LEU  59  -5.836 -10.939   3.410
  503    H    TYR  60           H        TYR  60  -0.571 -10.337   5.874
  504    HA   TYR  60           HA       TYR  60   0.328  -8.797   8.138
  505   1HB   TYR  60          2HB       TYR  60   1.690 -10.439   6.017
  506   2HB   TYR  60          1HB       TYR  60   2.606  -9.494   7.181
  507    HD1  TYR  60           1HD      TYR  60  -0.061 -12.082   6.995
  508    HD2  TYR  60           2HD      TYR  60   3.184 -10.468   9.223
  509    HE1  TYR  60           1HE      TYR  60  -0.243 -13.942   8.597
  510    HE2  TYR  60           2HE      TYR  60   3.013 -12.323  10.830
  511    HH   TYR  60           HH       TYR  60   0.405 -14.277  11.111
  512    H    ASP  61           H        ASP  61   2.042  -7.176   7.957
  513    HA   ASP  61           HA       ASP  61   1.329  -5.063   6.257
  514   1HB   ASP  61          2HB       ASP  61   3.538  -4.066   7.028
  515   2HB   ASP  61          1HB       ASP  61   2.401  -4.511   8.297
  516    H    LYS  62           H        LYS  62   3.286  -7.810   5.655
  517    HA   LYS  62           HA       LYS  62   4.204  -6.576   3.146
  518   1HB   LYS  62          2HB       LYS  62   5.780  -7.849   5.260
  519   2HB   LYS  62          1HB       LYS  62   6.106  -8.497   3.658
  520   1HG   LYS  62          2HG       LYS  62   7.230  -6.679   3.037
  521   2HG   LYS  62          1HG       LYS  62   6.002  -5.593   3.689
  522   1HD   LYS  62          2HD       LYS  62   7.687  -7.022   5.657
  523   2HD   LYS  62          1HD       LYS  62   8.482  -5.777   4.692
  524   1HE   LYS  62          2HE       LYS  62   5.857  -5.122   5.914
  525   2HE   LYS  62          1HE       LYS  62   7.258  -5.224   6.980
  526   1HZ   LYS  62          1HZ       LYS  62   6.559  -3.020   5.666
  527   2HZ   LYS  62          2HZ       LYS  62   7.635  -3.689   4.546
  528   3HZ   LYS  62          3HZ       LYS  62   8.152  -3.364   6.123
  529    H    ILE  63           H        ILE  63   2.251  -7.573   2.275
  530    HA   ILE  63           HA       ILE  63   1.888 -10.384   2.266
  531    HB   ILE  63           HB       ILE  63   0.655  -8.072   0.882
  532   1HG1  ILE  63          2HG1      ILE  63  -1.389  -9.088   1.656
  533   2HG1  ILE  63          1HG1      ILE  63  -0.553 -10.597   2.020
  534   1HG2  ILE  63          1HG2      ILE  63   0.767 -10.800  -0.337
  535   2HG2  ILE  63          2HG2      ILE  63   0.892  -9.221  -1.112
  536   3HG2  ILE  63          3HG2      ILE  63  -0.670  -9.798  -0.531
  537   1HD1  ILE  63          1HD1      ILE  63  -0.800  -9.640   4.098
  538   2HD1  ILE  63          2HD1      ILE  63  -0.514  -8.010   3.496
  539   3HD1  ILE  63          3HD1      ILE  63   0.832  -9.140   3.661
  540    HA   PRO  64           HA       PRO  64   5.011 -11.633  -0.634
  541   1HB   PRO  64          2HB       PRO  64   3.072 -13.746  -1.398
  542   2HB   PRO  64          1HB       PRO  64   4.738 -13.899  -0.825
  543   1HG   PRO  64          2HG       PRO  64   2.686 -14.505   0.765
  544   2HG   PRO  64          1HG       PRO  64   4.130 -13.696   1.403
  545   1HD   PRO  64          2HD       PRO  64   1.445 -12.547   0.741
  546   2HD   PRO  64          1HD       PRO  64   2.524 -12.185   2.109
  547    H    SER  65           H        SER  65   4.462 -12.985  -3.033
  548    HA   SER  65           HA       SER  65   3.344 -10.783  -4.611
  549   1HB   SER  65          2HB       SER  65   5.705 -11.822  -4.981
  550   2HB   SER  65          1HB       SER  65   4.824 -13.119  -5.785
  551    HG   SER  65           HG       SER  65   4.462 -10.391  -6.442
  552    H    SER  66           H        SER  66   2.973 -14.214  -3.979
  553    HA   SER  66           HA       SER  66   1.222 -14.865  -6.063
  554   1HB   SER  66          2HB       SER  66   1.846 -16.022  -3.388
  555   2HB   SER  66          1HB       SER  66   0.376 -16.570  -4.194
  556    HG   SER  66           HG       SER  66   2.910 -16.533  -5.457
  557    H    VAL  67           H        VAL  67   0.550 -13.701  -2.777
  558    HA   VAL  67           HA       VAL  67  -2.251 -13.779  -2.933
  559    HB   VAL  67           HB       VAL  67  -0.631 -11.790  -1.344
  560   1HG1  VAL  67          1HG1      VAL  67  -2.547 -11.956   0.225
  561   2HG1  VAL  67          2HG1      VAL  67  -3.385 -12.952  -0.965
  562   3HG1  VAL  67          3HG1      VAL  67  -2.978 -11.278  -1.346
  563   1HG2  VAL  67          1HG2      VAL  67  -1.264 -14.675  -0.790
  564   2HG2  VAL  67          2HG2      VAL  67  -0.849 -13.533   0.488
  565   3HG2  VAL  67          3HG2      VAL  67   0.311 -13.879  -0.796
  566    H    TRP  68           H        TRP  68   0.044 -11.170  -3.644
  567    HA   TRP  68           HA       TRP  68  -1.914  -9.245  -4.320
  568   1HB   TRP  68          2HB       TRP  68   0.989  -9.430  -4.331
  569   2HB   TRP  68          1HB       TRP  68   0.376  -8.519  -5.710
  570    HD1  TRP  68           HD       TRP  68   1.379  -6.252  -4.662
  571    HE1  TRP  68           1HE      TRP  68   0.495  -4.695  -2.814
  572    HE3  TRP  68           3HE      TRP  68  -2.040  -9.392  -2.493
  573    HZ2  TRP  68           2HZ      TRP  68  -1.399  -4.781  -0.725
  574    HZ3  TRP  68           3HZ      TRP  68  -3.341  -8.570  -0.580
  575    HH2  TRP  68           HH       TRP  68  -3.026  -6.311   0.286
  576    H    LYS  69           H        LYS  69  -0.556 -11.891  -6.062
  577    HA   LYS  69           HA       LYS  69  -1.162 -10.904  -8.676
  578   1HB   LYS  69          2HB       LYS  69   0.464 -12.811  -7.976
  579   2HB   LYS  69          1HB       LYS  69  -0.975 -13.823  -7.985
  580   1HG   LYS  69          2HG       LYS  69  -0.603 -12.180 -10.388
  581   2HG   LYS  69          1HG       LYS  69   0.631 -13.413 -10.120
  582   1HD   LYS  69          2HD       LYS  69  -1.674 -14.786  -9.594
  583   2HD   LYS  69          1HD       LYS  69  -2.181 -13.696 -10.886
  584   1HE   LYS  69          2HE       LYS  69   0.217 -14.579 -11.824
  585   2HE   LYS  69          1HE       LYS  69  -0.363 -15.999 -10.956
  586   1HZ   LYS  69          1HZ       LYS  69  -2.374 -15.964 -12.245
  587   2HZ   LYS  69          2HZ       LYS  69  -1.050 -15.959 -13.298
  588   3HZ   LYS  69          3HZ       LYS  69  -1.914 -14.532 -13.021
  589    H    PHE  70           H        PHE  70  -2.894 -12.575  -6.172
  590    HA   PHE  70           HA       PHE  70  -5.068 -13.452  -7.816
  591   1HB   PHE  70          2HB       PHE  70  -4.247 -14.362  -5.510
  592   2HB   PHE  70          1HB       PHE  70  -5.282 -13.101  -4.847
  593    HD1  PHE  70           1HD      PHE  70  -5.557 -15.625  -7.589
  594    HD2  PHE  70           2HD      PHE  70  -7.312 -13.865  -4.135
  595    HE1  PHE  70           1HE      PHE  70  -7.508 -17.105  -7.831
  596    HE2  PHE  70           2HE      PHE  70  -9.265 -15.342  -4.370
  597    HZ   PHE  70           HZ       PHE  70  -9.365 -16.964  -6.219
  598    H    ILE  71           H        ILE  71  -4.701 -10.841  -5.404
  599    HA   ILE  71           HA       ILE  71  -7.178  -9.761  -5.339
  600    HB   ILE  71           HB       ILE  71  -6.054  -7.465  -5.212
  601   1HG1  ILE  71          2HG1      ILE  71  -3.616  -9.237  -5.319
  602   2HG1  ILE  71          1HG1      ILE  71  -4.070  -8.048  -6.534
  603   1HG2  ILE  71          1HG2      ILE  71  -4.851  -8.193  -3.028
  604   2HG2  ILE  71          2HG2      ILE  71  -5.525  -9.782  -3.398
  605   3HG2  ILE  71          3HG2      ILE  71  -6.596  -8.400  -3.170
  606   1HD1  ILE  71          1HD1      ILE  71  -3.524  -7.311  -3.677
  607   2HD1  ILE  71          2HD1      ILE  71  -3.620  -6.252  -5.083
  608   3HD1  ILE  71          3HD1      ILE  71  -2.266  -7.368  -4.911
  609    H    ARG  72           H        ARG  72  -8.589  -8.925  -6.718
  610    HA   ARG  72           HA       ARG  72  -7.897  -8.601  -9.487
  611   1HB   ARG  72          2HB       ARG  72 -10.493  -7.946  -8.082
  612   2HB   ARG  72          1HB       ARG  72 -10.260  -8.115  -9.816
  613   1HG   ARG  72          2HG       ARG  72 -10.365 -10.352  -9.742
  614   2HG   ARG  72          1HG       ARG  72  -9.436 -10.448  -8.246
  615   1HD   ARG  72          2HD       ARG  72 -11.383  -9.890  -6.944
  616   2HD   ARG  72          1HD       ARG  72 -12.326  -9.605  -8.406
  617    HE   ARG  72           HE       ARG  72 -11.516 -12.177  -8.669
  618   1HH1  ARG  72          1HH1      ARG  72 -13.157 -10.423  -6.136
  619   2HH1  ARG  72          2HH1      ARG  72 -14.035 -11.806  -5.576
  620   1HH2  ARG  72          1HH2      ARG  72 -12.670 -13.998  -7.932
  621   2HH2  ARG  72          2HH2      ARG  72 -13.759 -13.836  -6.595
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1   8.831   3.957  12.799
    2   2H    MET   1          2HT       MET   1   7.846   3.239  14.008
    3   3H    MET   1          3HT       MET   1   9.397   2.588  13.662
    4    HA   MET   1           HA       MET   1   9.712   3.746  15.582
    5   1HB   MET   1          2HB       MET   1  10.363   5.628  13.303
    6   2HB   MET   1          1HB       MET   1  11.129   5.623  14.886
    7   1HG   MET   1          2HG       MET   1  11.192   3.234  13.078
    8   2HG   MET   1          1HG       MET   1  12.386   4.527  12.975
    9   1HE   MET   1          1HE       MET   1  14.550   1.977  14.343
   10   2HE   MET   1          2HE       MET   1  13.393   2.113  13.019
   11   3HE   MET   1          3HE       MET   1  13.083   0.996  14.348
   12    H    SER   2           H        SER   2   9.264   5.452  17.003
   13    HA   SER   2           HA       SER   2   6.817   6.936  16.346
   14   1HB   SER   2          2HB       SER   2   8.049   6.352  19.050
   15   2HB   SER   2          1HB       SER   2   6.516   7.178  18.774
   16    HG   SER   2           HG       SER   2   7.028   4.572  17.801
   17    H    GLU   3           H        GLU   3   7.469   8.792  15.388
   18    HA   GLU   3           HA       GLU   3   9.103  10.603  17.020
   19   1HB   GLU   3          2HB       GLU   3  10.170  11.425  14.886
   20   2HB   GLU   3          1HB       GLU   3  10.664   9.819  15.404
   21   1HG   GLU   3          2HG       GLU   3   9.099   8.835  13.791
   22   2HG   GLU   3          1HG       GLU   3   8.658  10.454  13.252
   23    H    LYS   4           H        LYS   4   9.071  12.864  15.668
   24    HA   LYS   4           HA       LYS   4   6.552  13.939  16.031
   25   1HB   LYS   4          2HB       LYS   4   9.084  14.823  14.954
   26   2HB   LYS   4          1HB       LYS   4   7.751  15.509  14.036
   27   1HG   LYS   4          2HG       LYS   4   6.971  15.831  16.669
   28   2HG   LYS   4          1HG       LYS   4   8.706  16.156  16.693
   29   1HD   LYS   4          2HD       LYS   4   7.929  18.243  16.174
   30   2HD   LYS   4          1HD       LYS   4   8.108  17.581  14.548
   31   1HE   LYS   4          2HE       LYS   4   5.782  17.115  14.395
   32   2HE   LYS   4          1HE       LYS   4   5.538  17.446  16.109
   33   1HZ   LYS   4          1HZ       LYS   4   4.883  19.431  15.311
   34   2HZ   LYS   4          2HZ       LYS   4   5.770  19.292  13.878
   35   3HZ   LYS   4          3HZ       LYS   4   6.541  19.768  15.307
   36    HA   PRO   5           HA       PRO   5   5.726  13.728  11.247
   37   1HB   PRO   5          2HB       PRO   5   7.334  11.977   9.865
   38   2HB   PRO   5          1HB       PRO   5   7.616  13.719   9.964
   39   1HG   PRO   5          2HG       PRO   5   8.871  11.503  11.533
   40   2HG   PRO   5          1HG       PRO   5   9.622  12.953  10.841
   41   1HD   PRO   5          2HD       PRO   5   9.031  12.781  13.454
   42   2HD   PRO   5          1HD       PRO   5   8.887  14.311  12.566
   43    H    LEU   6           H        LEU   6   5.388  11.592   9.645
   44    HA   LEU   6           HA       LEU   6   4.273   9.533  11.436
   45   1HB   LEU   6          2HB       LEU   6   3.210  10.667   8.856
   46   2HB   LEU   6          1HB       LEU   6   2.620   9.162   9.535
   47    HG   LEU   6           HG       LEU   6   1.177  11.115  10.044
   48   1HD1  LEU   6          1HD1      LEU   6   0.932   9.301  11.509
   49   2HD1  LEU   6          2HD1      LEU   6   1.132  10.706  12.554
   50   3HD1  LEU   6          3HD1      LEU   6   2.484   9.607  12.286
   51   1HD2  LEU   6          1HD2      LEU   6   3.349  12.575  10.341
   52   2HD2  LEU   6          2HD2      LEU   6   3.180  12.073  12.023
   53   3HD2  LEU   6          3HD2      LEU   6   1.869  12.944  11.227
   54    H    THR   7           H        THR   7   5.215   7.621  11.256
   55    HA   THR   7           HA       THR   7   6.890   7.027   8.964
   56    HB   THR   7           HB       THR   7   7.030   4.788  10.481
   57    HG1  THR   7           1HG      THR   7   6.647   6.852  12.372
   58   1HG2  THR   7          1HG2      THR   7   8.898   5.956  11.758
   59   2HG2  THR   7          2HG2      THR   7   8.509   7.372  10.782
   60   3HG2  THR   7          3HG2      THR   7   9.030   5.878  10.001
   61    H    LYS   8           H        LYS   8   6.792   4.510   8.391
   62    HA   LYS   8           HA       LYS   8   4.494   4.148   6.850
   63   1HB   LYS   8          2HB       LYS   8   6.698   2.308   7.723
   64   2HB   LYS   8          1HB       LYS   8   5.338   1.693   6.794
   65   1HG   LYS   8          2HG       LYS   8   6.520   2.239   4.991
   66   2HG   LYS   8          1HG       LYS   8   6.098   3.910   5.364
   67   1HD   LYS   8          2HD       LYS   8   8.188   3.794   6.921
   68   2HD   LYS   8          1HD       LYS   8   8.638   2.429   5.897
   69   1HE   LYS   8          2HE       LYS   8   9.569   3.975   4.572
   70   2HE   LYS   8          1HE       LYS   8   7.918   4.309   4.053
   71   1HZ   LYS   8          1HZ       LYS   8   8.984   6.349   4.657
   72   2HZ   LYS   8          2HZ       LYS   8   9.433   5.737   6.168
   73   3HZ   LYS   8          3HZ       LYS   8   7.801   6.008   5.817
   74    H    THR   9           H        THR   9   5.274   3.065  10.092
   75    HA   THR   9           HA       THR   9   2.977   1.345  10.297
   76    HB   THR   9           HB       THR   9   3.759   1.719  12.872
   77    HG1  THR   9           1HG      THR   9   6.164   1.921  11.409
   78   1HG2  THR   9          1HG2      THR   9   5.250  -0.224  12.605
   79   2HG2  THR   9          2HG2      THR   9   5.070  -0.089  10.857
   80   3HG2  THR   9          3HG2      THR   9   3.668  -0.456  11.862
   81    H    ASP  10           H        ASP  10   3.745   4.663  11.055
   82    HA   ASP  10           HA       ASP  10   1.658   5.208  12.852
   83   1HB   ASP  10          2HB       ASP  10   3.400   6.840  11.070
   84   2HB   ASP  10          1HB       ASP  10   1.957   7.605  11.728
   85    H    TYR  11           H        TYR  11   1.810   5.648   9.320
   86    HA   TYR  11           HA       TYR  11  -0.866   6.554   9.073
   87   1HB   TYR  11          2HB       TYR  11   1.312   5.760   7.246
   88   2HB   TYR  11          1HB       TYR  11  -0.312   5.558   6.605
   89    HD1  TYR  11           1HD      TYR  11   0.285   7.236   4.877
   90    HD2  TYR  11           2HD      TYR  11   0.193   8.228   9.014
   91    HE1  TYR  11           1HE      TYR  11   0.211   9.623   4.298
   92    HE2  TYR  11           2HE      TYR  11   0.118  10.620   8.443
   93    HH   TYR  11           HH       TYR  11  -0.718  11.805   5.590
   94    H    LEU  12           H        LEU  12   0.646   3.408   8.369
   95    HA   LEU  12           HA       LEU  12  -1.638   2.038   7.582
   96   1HB   LEU  12          2HB       LEU  12   0.955   1.381   7.806
   97   2HB   LEU  12          1HB       LEU  12   0.332   0.550   9.218
   98    HG   LEU  12           HG       LEU  12  -0.670   0.148   6.399
   99   1HD1  LEU  12          1HD1      LEU  12   0.483  -1.964   6.447
  100   2HD1  LEU  12          2HD1      LEU  12   1.045  -1.662   8.091
  101   3HD1  LEU  12          3HD1      LEU  12   1.636  -0.666   6.759
  102   1HD2  LEU  12          1HD2      LEU  12  -1.282  -1.336   8.951
  103   2HD2  LEU  12          2HD2      LEU  12  -1.871  -1.753   7.342
  104   3HD2  LEU  12          3HD2      LEU  12  -2.377  -0.245   8.103
  105    H    MET  13           H        MET  13  -0.293   2.437  10.844
  106    HA   MET  13           HA       MET  13  -2.264   0.853  12.133
  107   1HB   MET  13          2HB       MET  13  -0.337   2.941  13.140
  108   2HB   MET  13          1HB       MET  13  -1.451   2.096  14.206
  109   1HG   MET  13          2HG       MET  13   0.188   0.396  12.449
  110   2HG   MET  13          1HG       MET  13   1.055   1.281  13.702
  111   1HE   MET  13          1HE       MET  13  -1.952  -1.193  13.018
  112   2HE   MET  13          2HE       MET  13  -2.660   0.105  13.979
  113   3HE   MET  13          3HE       MET  13  -2.491  -1.510  14.667
  114    H    ARG  14           H        ARG  14  -1.903   4.348  11.649
  115    HA   ARG  14           HA       ARG  14  -4.214   5.102  13.083
  116   1HB   ARG  14          2HB       ARG  14  -2.253   6.566  12.292
  117   2HB   ARG  14          1HB       ARG  14  -3.096   6.641  10.751
  118   1HG   ARG  14          2HG       ARG  14  -4.845   7.876  11.616
  119   2HG   ARG  14          1HG       ARG  14  -4.527   7.357  13.272
  120   1HD   ARG  14          2HD       ARG  14  -3.273   9.155  13.622
  121   2HD   ARG  14          1HD       ARG  14  -2.225   8.716  12.274
  122    HE   ARG  14           HE       ARG  14  -4.283  10.717  12.291
  123   1HH1  ARG  14          1HH1      ARG  14  -2.437   8.542  10.281
  124   2HH1  ARG  14          2HH1      ARG  14  -2.653   9.485   8.845
  125   1HH2  ARG  14          1HH2      ARG  14  -4.569  11.960  10.402
  126   2HH2  ARG  14          2HH2      ARG  14  -3.863  11.425   8.914
  127    H    LEU  15           H        LEU  15  -3.713   3.968   9.826
  128    HA   LEU  15           HA       LEU  15  -6.120   4.854   8.673
  129   1HB   LEU  15          2HB       LEU  15  -3.934   3.613   7.726
  130   2HB   LEU  15          1HB       LEU  15  -5.017   2.240   7.817
  131    HG   LEU  15           HG       LEU  15  -6.214   4.581   6.527
  132   1HD1  LEU  15          1HD1      LEU  15  -4.774   3.700   4.404
  133   2HD1  LEU  15          2HD1      LEU  15  -3.567   3.631   5.689
  134   3HD1  LEU  15          3HD1      LEU  15  -4.397   5.147   5.339
  135   1HD2  LEU  15          1HD2      LEU  15  -7.502   2.825   6.014
  136   2HD2  LEU  15          2HD2      LEU  15  -6.220   1.665   6.355
  137   3HD2  LEU  15          3HD2      LEU  15  -6.288   2.467   4.786
  138    H    ARG  16           H        ARG  16  -5.291   1.810  10.306
  139    HA   ARG  16           HA       ARG  16  -7.841   0.618   9.971
  140   1HB   ARG  16          2HB       ARG  16  -5.492  -0.384  10.668
  141   2HB   ARG  16          1HB       ARG  16  -6.104  -0.096  12.291
  142   1HG   ARG  16          2HG       ARG  16  -7.899  -1.583  11.994
  143   2HG   ARG  16          1HG       ARG  16  -7.670  -1.634  10.245
  144   1HD   ARG  16          2HD       ARG  16  -6.660  -3.598  10.781
  145   2HD   ARG  16          1HD       ARG  16  -5.276  -2.522  10.976
  146    HE   ARG  16           HE       ARG  16  -6.831  -2.907  13.373
  147   1HH1  ARG  16          1HH1      ARG  16  -4.178  -4.092  11.438
  148   2HH1  ARG  16          2HH1      ARG  16  -3.405  -4.893  12.765
  149   1HH2  ARG  16          1HH2      ARG  16  -5.815  -3.960  15.117
  150   2HH2  ARG  16          2HH2      ARG  16  -4.333  -4.817  14.854
  151    H    ARG  17           H        ARG  17  -6.724   3.080  12.056
  152    HA   ARG  17           HA       ARG  17  -8.187   2.710  14.374
  153   1HB   ARG  17          2HB       ARG  17  -6.514   4.611  13.558
  154   2HB   ARG  17          1HB       ARG  17  -8.021   5.463  13.251
  155   1HG   ARG  17          2HG       ARG  17  -8.642   4.880  15.656
  156   2HG   ARG  17          1HG       ARG  17  -6.941   4.458  15.860
  157   1HD   ARG  17          2HD       ARG  17  -6.743   6.629  16.431
  158   2HD   ARG  17          1HD       ARG  17  -6.699   6.871  14.685
  159    HE   ARG  17           HE       ARG  17  -8.665   7.996  14.871
  160   1HH1  ARG  17          1HH1      ARG  17  -8.389   5.850  17.609
  161   2HH1  ARG  17          2HH1      ARG  17  -9.849   6.410  18.354
  162   1HH2  ARG  17          1HH2      ARG  17 -10.584   8.734  15.848
  163   2HH2  ARG  17          2HH2      ARG  17 -11.096   8.047  17.353
  164    H    CYS  18           H        CYS  18  -9.305   3.562  11.206
  165    HA   CYS  18           HA       CYS  18 -11.734   4.807  11.895
  166   1HB   CYS  18          2HB       CYS  18 -10.415   4.227   9.548
  167   2HB   CYS  18          1HB       CYS  18 -11.833   3.190   9.456
  168    HG   CYS  18           HG       CYS  18 -13.338   5.237   9.408
  169    H    GLN  19           H        GLN  19 -13.913   3.818  11.332
  170    HA   GLN  19           HA       GLN  19 -14.100   1.217  12.676
  171   1HB   GLN  19          2HB       GLN  19 -15.743   3.641  12.642
  172   2HB   GLN  19          1HB       GLN  19 -16.676   2.164  12.457
  173   1HG   GLN  19          2HG       GLN  19 -16.390   1.578  14.587
  174   2HG   GLN  19          1HG       GLN  19 -14.679   2.005  14.572
  175   1HE2  GLN  19          1HE2      GLN  19 -14.212   4.364  14.639
  176   2HE2  GLN  19          2HE2      GLN  19 -15.211   5.348  15.648
  177    H    THR  20           H        THR  20 -15.216   2.975   9.825
  178    HA   THR  20           HA       THR  20 -15.804   0.386   8.557
  179    HB   THR  20           HB       THR  20 -17.909   1.536   9.163
  180    HG1  THR  20           1HG      THR  20 -18.833   1.328   7.143
  181   1HG2  THR  20          1HG2      THR  20 -16.637   3.789   7.760
  182   2HG2  THR  20          2HG2      THR  20 -17.800   3.781   9.085
  183   3HG2  THR  20          3HG2      THR  20 -18.347   3.519   7.429
  184    H    ILE  21           H        ILE  21 -15.443   0.273   6.308
  185    HA   ILE  21           HA       ILE  21 -13.196   1.737   5.407
  186    HB   ILE  21           HB       ILE  21 -15.070   0.019   3.779
  187   1HG1  ILE  21          2HG1      ILE  21 -14.216  -1.272   5.629
  188   2HG1  ILE  21          1HG1      ILE  21 -13.352  -1.755   4.173
  189   1HG2  ILE  21          1HG2      ILE  21 -12.210   0.820   3.262
  190   2HG2  ILE  21          2HG2      ILE  21 -13.626   1.476   2.438
  191   3HG2  ILE  21          3HG2      ILE  21 -13.202  -0.226   2.247
  192   1HD1  ILE  21          1HD1      ILE  21 -11.586  -0.032   4.950
  193   2HD1  ILE  21          2HD1      ILE  21 -11.671  -1.607   5.738
  194   3HD1  ILE  21          3HD1      ILE  21 -12.376  -0.192   6.518
  195    H    ASP  22           H        ASP  22 -16.647   1.951   4.669
  196    HA   ASP  22           HA       ASP  22 -16.577   3.656   2.492
  197   1HB   ASP  22          2HB       ASP  22 -18.586   2.500   3.664
  198   2HB   ASP  22          1HB       ASP  22 -18.664   3.970   4.631
  199    H    THR  23           H        THR  23 -16.761   4.580   5.940
  200    HA   THR  23           HA       THR  23 -16.545   7.370   5.346
  201    HB   THR  23           HB       THR  23 -16.787   5.689   7.765
  202    HG1  THR  23           1HG      THR  23 -17.827   8.198   6.970
  203   1HG2  THR  23          1HG2      THR  23 -14.815   6.908   8.434
  204   2HG2  THR  23          2HG2      THR  23 -16.231   7.505   9.300
  205   3HG2  THR  23          3HG2      THR  23 -15.567   8.429   7.953
  206    H    LEU  24           H        LEU  24 -14.323   4.784   6.047
  207    HA   LEU  24           HA       LEU  24 -12.085   6.410   6.705
  208   1HB   LEU  24          2HB       LEU  24 -12.465   3.883   7.114
  209   2HB   LEU  24          1HB       LEU  24 -11.879   3.680   5.474
  210    HG   LEU  24           HG       LEU  24 -10.349   4.939   7.748
  211   1HD1  LEU  24          1HD1      LEU  24  -8.880   2.913   7.368
  212   2HD1  LEU  24          2HD1      LEU  24 -10.217   2.242   6.434
  213   3HD1  LEU  24          3HD1      LEU  24 -10.436   2.619   8.143
  214   1HD2  LEU  24          1HD2      LEU  24  -9.468   6.010   5.919
  215   2HD2  LEU  24          2HD2      LEU  24  -9.811   4.666   4.831
  216   3HD2  LEU  24          3HD2      LEU  24  -8.468   4.560   5.968
  217    H    GLU  25           H        GLU  25 -13.334   5.036   3.711
  218    HA   GLU  25           HA       GLU  25 -11.174   5.581   2.032
  219   1HB   GLU  25          2HB       GLU  25 -13.267   4.247   1.496
  220   2HB   GLU  25          1HB       GLU  25 -14.077   5.783   1.223
  221   1HG   GLU  25          2HG       GLU  25 -13.365   5.742  -0.867
  222   2HG   GLU  25          1HG       GLU  25 -11.709   5.878  -0.276
  223    H    ARG  26           H        ARG  26 -13.643   7.655   3.338
  224    HA   ARG  26           HA       ARG  26 -13.409   9.844   1.606
  225   1HB   ARG  26          2HB       ARG  26 -15.225   9.659   3.214
  226   2HB   ARG  26          1HB       ARG  26 -14.087   9.757   4.550
  227   1HG   ARG  26          2HG       ARG  26 -13.592  12.042   3.054
  228   2HG   ARG  26          1HG       ARG  26 -15.347  11.869   3.034
  229   1HD   ARG  26          2HD       ARG  26 -15.088  11.465   5.580
  230   2HD   ARG  26          1HD       ARG  26 -13.505  12.211   5.369
  231    HE   ARG  26           HE       ARG  26 -15.636  13.760   4.241
  232   1HH1  ARG  26          1HH1      ARG  26 -13.901  13.038   7.180
  233   2HH1  ARG  26          2HH1      ARG  26 -14.283  14.552   7.927
  234   1HH2  ARG  26          1HH2      ARG  26 -16.139  15.754   5.221
  235   2HH2  ARG  26          2HH2      ARG  26 -15.554  16.094   6.815
  236    H    VAL  27           H        VAL  27 -11.459   8.797   4.329
  237    HA   VAL  27           HA       VAL  27  -9.962  11.236   4.479
  238    HB   VAL  27           HB       VAL  27 -10.337   9.392   6.321
  239   1HG1  VAL  27          1HG1      VAL  27  -8.791   7.713   6.516
  240   2HG1  VAL  27          2HG1      VAL  27  -7.593   8.550   5.531
  241   3HG1  VAL  27          3HG1      VAL  27  -8.977   7.774   4.763
  242   1HG2  VAL  27          1HG2      VAL  27  -9.309  11.196   7.191
  243   2HG2  VAL  27          2HG2      VAL  27  -8.183  11.337   5.840
  244   3HG2  VAL  27          3HG2      VAL  27  -7.881  10.163   7.121
  245    H    ILE  28           H        ILE  28  -9.644   8.187   2.804
  246    HA   ILE  28           HA       ILE  28  -6.930   8.322   2.113
  247    HB   ILE  28           HB       ILE  28  -9.309   6.970   0.901
  248   1HG1  ILE  28          2HG1      ILE  28  -7.895   4.966   1.315
  249   2HG1  ILE  28          1HG1      ILE  28  -6.639   6.019   1.955
  250   1HG2  ILE  28          1HG2      ILE  28  -8.208   7.632  -1.093
  251   2HG2  ILE  28          2HG2      ILE  28  -7.766   5.949  -0.808
  252   3HG2  ILE  28          3HG2      ILE  28  -6.622   7.237  -0.429
  253   1HD1  ILE  28          1HD1      ILE  28  -9.374   6.112   3.127
  254   2HD1  ILE  28          2HD1      ILE  28  -7.817   6.481   3.868
  255   3HD1  ILE  28          3HD1      ILE  28  -8.273   4.805   3.561
  256    H    GLU  29           H        GLU  29  -9.760   9.893   0.787
  257    HA   GLU  29           HA       GLU  29  -8.455  10.879  -1.566
  258   1HB   GLU  29          2HB       GLU  29 -11.036  10.579  -0.938
  259   2HB   GLU  29          1HB       GLU  29 -10.851  12.265  -0.474
  260   1HG   GLU  29          2HG       GLU  29 -11.376  12.661  -2.610
  261   2HG   GLU  29          1HG       GLU  29  -9.678  12.288  -2.907
  262    H    LYS  30           H        LYS  30  -9.421  12.343   1.529
  263    HA   LYS  30           HA       LYS  30  -8.302  14.887   0.948
  264   1HB   LYS  30          2HB       LYS  30  -9.697  13.621   3.145
  265   2HB   LYS  30          1HB       LYS  30  -8.369  14.609   3.736
  266   1HG   LYS  30          2HG       LYS  30  -9.564  16.223   1.851
  267   2HG   LYS  30          1HG       LYS  30 -10.926  15.397   2.608
  268   1HD   LYS  30          2HD       LYS  30  -8.851  16.429   4.438
  269   2HD   LYS  30          1HD       LYS  30  -9.810  17.643   3.588
  270   1HE   LYS  30          2HE       LYS  30 -11.628  15.701   4.483
  271   2HE   LYS  30          1HE       LYS  30 -10.526  15.989   5.827
  272   1HZ   LYS  30          1HZ       LYS  30 -12.450  17.480   5.852
  273   2HZ   LYS  30          2HZ       LYS  30 -11.992  18.107   4.349
  274   3HZ   LYS  30          3HZ       LYS  30 -10.997  18.335   5.698
  275    H    ASN  31           H        ASN  31  -7.064  11.961   2.420
  276    HA   ASN  31           HA       ASN  31  -4.681  13.154   3.451
  277   1HB   ASN  31          2HB       ASN  31  -5.482  10.284   2.973
  278   2HB   ASN  31          1HB       ASN  31  -3.935  10.745   3.675
  279   1HD2  ASN  31          1HD2      ASN  31  -5.095   9.243   5.309
  280   2HD2  ASN  31          2HD2      ASN  31  -5.961  10.059   6.561
  281    H    LYS  32           H        LYS  32  -5.479  11.314   0.536
  282    HA   LYS  32           HA       LYS  32  -2.879  11.061  -0.470
  283   1HB   LYS  32          2HB       LYS  32  -3.858  10.462  -2.540
  284   2HB   LYS  32          1HB       LYS  32  -4.970   9.896  -1.305
  285   1HG   LYS  32          2HG       LYS  32  -6.604  10.981  -2.325
  286   2HG   LYS  32          1HG       LYS  32  -5.785  12.503  -1.973
  287   1HD   LYS  32          2HD       LYS  32  -5.804  12.708  -4.224
  288   2HD   LYS  32          1HD       LYS  32  -4.358  11.702  -4.105
  289   1HE   LYS  32          2HE       LYS  32  -6.113   9.745  -4.208
  290   2HE   LYS  32          1HE       LYS  32  -7.117  10.978  -4.970
  291   1HZ   LYS  32          1HZ       LYS  32  -4.550   9.860  -5.906
  292   2HZ   LYS  32          2HZ       LYS  32  -5.104  11.354  -6.469
  293   3HZ   LYS  32          3HZ       LYS  32  -6.024   9.959  -6.731
  294    H    TYR  33           H        TYR  33  -5.110  13.741  -0.507
  295    HA   TYR  33           HA       TYR  33  -3.352  15.253  -2.296
  296   1HB   TYR  33          2HB       TYR  33  -6.132  15.150  -2.022
  297   2HB   TYR  33          1HB       TYR  33  -5.674  16.710  -1.347
  298    HD1  TYR  33           1HD      TYR  33  -4.043  18.138  -2.815
  299    HD2  TYR  33           2HD      TYR  33  -6.433  14.951  -4.309
  300    HE1  TYR  33           1HE      TYR  33  -3.852  19.067  -5.083
  301    HE2  TYR  33           2HE      TYR  33  -6.248  15.870  -6.583
  302    HH   TYR  33           HH       TYR  33  -4.416  17.446  -7.789
  303    H    GLU  34           H        GLU  34  -3.692  14.714   0.970
  304    HA   GLU  34           HA       GLU  34  -3.230  17.393   1.903
  305   1HB   GLU  34          2HB       GLU  34  -4.030  14.970   3.063
  306   2HB   GLU  34          1HB       GLU  34  -2.481  15.343   3.802
  307   1HG   GLU  34          2HG       GLU  34  -4.679  17.373   3.631
  308   2HG   GLU  34          1HG       GLU  34  -4.579  16.207   4.950
  309    H    LEU  35           H        LEU  35  -1.232  14.472   2.370
  310    HA   LEU  35           HA       LEU  35   1.119  15.984   2.817
  311   1HB   LEU  35          2HB       LEU  35   2.246  13.978   3.083
  312   2HB   LEU  35          1HB       LEU  35   0.643  13.636   3.641
  313    HG   LEU  35           HG       LEU  35   2.158  12.422   1.453
  314   1HD1  LEU  35          1HD1      LEU  35  -0.107  10.927   2.158
  315   2HD1  LEU  35          2HD1      LEU  35   0.481  11.682   3.638
  316   3HD1  LEU  35          3HD1      LEU  35   1.559  10.688   2.669
  317   1HD2  LEU  35          1HD2      LEU  35   0.764  13.239  -0.157
  318   2HD2  LEU  35          2HD2      LEU  35  -0.589  13.436   0.953
  319   3HD2  LEU  35          3HD2      LEU  35  -0.158  11.834   0.368
  320    H    SER  36           H        SER  36   3.029  14.500   1.389
  321    HA   SER  36           HA       SER  36   2.617  15.500  -1.353
  322   1HB   SER  36          2HB       SER  36   5.140  15.483   0.320
  323   2HB   SER  36          1HB       SER  36   5.115  15.826  -1.410
  324    HG   SER  36           HG       SER  36   3.530  17.263   0.441
  325    H    ASP  37           H        ASP  37   4.553  14.414  -2.746
  326    HA   ASP  37           HA       ASP  37   3.838  11.715  -3.024
  327   1HB   ASP  37          2HB       ASP  37   5.860  13.520  -4.213
  328   2HB   ASP  37          1HB       ASP  37   6.226  11.800  -4.303
  329    H    ASN  38           H        ASN  38   6.207  13.289  -1.044
  330    HA   ASN  38           HA       ASN  38   7.863  11.023  -0.584
  331   1HB   ASN  38          2HB       ASN  38   8.168  13.661  -0.124
  332   2HB   ASN  38          1HB       ASN  38   7.725  13.124   1.494
  333   1HD2  ASN  38          1HD2      ASN  38   9.833  12.142  -1.187
  334   2HD2  ASN  38          2HD2      ASN  38  11.183  11.723  -0.196
  335    H    GLU  39           H        GLU  39   5.243  12.537   1.316
  336    HA   GLU  39           HA       GLU  39   5.384  10.494   3.335
  337   1HB   GLU  39          2HB       GLU  39   4.735  12.695   4.013
  338   2HB   GLU  39          1HB       GLU  39   3.481  12.761   2.790
  339   1HG   GLU  39          2HG       GLU  39   2.115  12.247   4.471
  340   2HG   GLU  39          1HG       GLU  39   2.691  10.600   4.221
  341    H    LEU  40           H        LEU  40   3.590  11.100   0.411
  342    HA   LEU  40           HA       LEU  40   1.400   9.424   0.789
  343   1HB   LEU  40          2HB       LEU  40   1.736  11.012  -1.089
  344   2HB   LEU  40          1HB       LEU  40   2.877   9.889  -1.799
  345    HG   LEU  40           HG       LEU  40   0.365   8.572  -1.234
  346   1HD1  LEU  40          1HD1      LEU  40  -0.559  10.832  -1.511
  347   2HD1  LEU  40          2HD1      LEU  40  -1.037   9.751  -2.820
  348   3HD1  LEU  40          3HD1      LEU  40   0.231  10.949  -3.083
  349   1HD2  LEU  40          1HD2      LEU  40   2.103   9.057  -3.630
  350   2HD2  LEU  40          2HD2      LEU  40   0.547   8.238  -3.770
  351   3HD2  LEU  40          3HD2      LEU  40   1.816   7.554  -2.754
  352    H    ALA  41           H        ALA  41   4.725   8.680  -0.006
  353    HA   ALA  41           HA       ALA  41   4.425   6.069  -0.959
  354   1HB   ALA  41          1HB       ALA  41   6.585   6.984  -1.122
  355   2HB   ALA  41          2HB       ALA  41   6.736   5.726   0.105
  356   3HB   ALA  41          3HB       ALA  41   6.624   7.420   0.585
  357    H    VAL  42           H        VAL  42   4.280   7.435   2.234
  358    HA   VAL  42           HA       VAL  42   4.255   4.930   3.634
  359    HB   VAL  42           HB       VAL  42   3.530   7.730   4.521
  360   1HG1  VAL  42          1HG1      VAL  42   4.173   6.095   6.735
  361   2HG1  VAL  42          2HG1      VAL  42   2.962   5.232   5.788
  362   3HG1  VAL  42          3HG1      VAL  42   2.634   6.867   6.359
  363   1HG2  VAL  42          1HG2      VAL  42   5.987   6.041   4.971
  364   2HG2  VAL  42          2HG2      VAL  42   5.677   7.600   5.737
  365   3HG2  VAL  42          3HG2      VAL  42   5.871   7.500   3.987
  366    H    PHE  43           H        PHE  43   1.889   7.155   2.268
  367    HA   PHE  43           HA       PHE  43  -0.364   5.912   3.543
  368   1HB   PHE  43          2HB       PHE  43  -0.113   8.321   2.524
  369   2HB   PHE  43          1HB       PHE  43  -0.613   7.528   1.034
  370    HD1  PHE  43           1HD      PHE  43  -2.769   8.260   0.631
  371    HD2  PHE  43           2HD      PHE  43  -1.716   6.941   4.538
  372    HE1  PHE  43           1HE      PHE  43  -5.123   8.441   1.323
  373    HE2  PHE  43           2HE      PHE  43  -4.067   7.118   5.237
  374    HZ   PHE  43           HZ       PHE  43  -5.774   7.869   3.630
  375    H    TYR  44           H        TYR  44   1.134   5.731   0.341
  376    HA   TYR  44           HA       TYR  44  -0.790   3.989  -0.793
  377   1HB   TYR  44          2HB       TYR  44   1.188   5.442  -1.848
  378   2HB   TYR  44          1HB       TYR  44   2.027   3.898  -1.750
  379    HD1  TYR  44           1HD      TYR  44   0.930   1.876  -2.864
  380    HD2  TYR  44           2HD      TYR  44  -0.295   5.881  -3.606
  381    HE1  TYR  44           1HE      TYR  44  -0.148   1.152  -4.952
  382    HE2  TYR  44           2HE      TYR  44  -1.378   5.170  -5.696
  383    HH   TYR  44           HH       TYR  44  -1.004   3.143  -7.366
  384    H    SER  45           H        SER  45   2.404   3.398   0.656
  385    HA   SER  45           HA       SER  45   2.472   0.630   0.284
  386   1HB   SER  45          2HB       SER  45   4.413   2.031   0.993
  387   2HB   SER  45          1HB       SER  45   3.683   2.173   2.592
  388    HG   SER  45           HG       SER  45   4.964   0.023   1.403
  389    H    ALA  46           H        ALA  46   1.268   2.536   3.029
  390    HA   ALA  46           HA       ALA  46   0.478   0.271   4.562
  391   1HB   ALA  46          1HB       ALA  46   0.116   3.209   4.760
  392   2HB   ALA  46          2HB       ALA  46   0.755   2.064   5.938
  393   3HB   ALA  46          3HB       ALA  46  -0.985   2.181   5.677
  394    H    ALA  47           H        ALA  47  -1.043   2.184   2.081
  395    HA   ALA  47           HA       ALA  47  -3.730   1.557   2.575
  396   1HB   ALA  47          1HB       ALA  47  -3.875   3.059   0.944
  397   2HB   ALA  47          2HB       ALA  47  -3.482   1.771  -0.195
  398   3HB   ALA  47          3HB       ALA  47  -2.200   2.788   0.464
  399    H    ASP  48           H        ASP  48  -1.697   0.146   0.000
  400    HA   ASP  48           HA       ASP  48  -3.389  -1.958  -0.634
  401   1HB   ASP  48          2HB       ASP  48  -0.573  -1.280  -1.126
  402   2HB   ASP  48          1HB       ASP  48  -0.902  -3.010  -1.151
  403    H    HIS  49           H        HIS  49  -0.747  -1.869   1.741
  404    HA   HIS  49           HA       HIS  49  -0.757  -4.560   2.471
  405   1HB   HIS  49          2HB       HIS  49   0.446  -2.175   3.408
  406   2HB   HIS  49          1HB       HIS  49  -0.339  -2.917   4.799
  407    HD1  HIS  49           1HD      HIS  49   2.825  -2.711   4.110
  408    HD2  HIS  49           2HD      HIS  49   0.388  -6.069   3.880
  409    HE1  HIS  49           1HE      HIS  49   4.375  -4.682   4.301
  410    HE2  HIS  49           2HE      HIS  49   2.869  -6.700   4.244
  411    H    ARG  50           H        ARG  50  -2.577  -1.854   3.919
  412    HA   ARG  50           HA       ARG  50  -4.003  -3.403   5.782
  413   1HB   ARG  50          2HB       ARG  50  -3.808  -0.733   5.252
  414   2HB   ARG  50          1HB       ARG  50  -5.425  -1.078   4.657
  415   1HG   ARG  50          2HG       ARG  50  -4.398  -1.644   7.429
  416   2HG   ARG  50          1HG       ARG  50  -5.492  -0.340   6.963
  417   1HD   ARG  50          2HD       ARG  50  -6.100  -3.264   6.566
  418   2HD   ARG  50          1HD       ARG  50  -6.600  -2.345   7.985
  419    HE   ARG  50           HE       ARG  50  -7.764  -2.254   5.363
  420   1HH1  ARG  50          1HH1      ARG  50  -7.286  -0.492   8.336
  421   2HH1  ARG  50          2HH1      ARG  50  -8.672   0.519   8.106
  422   1HH2  ARG  50          1HH2      ARG  50  -9.587  -0.923   5.056
  423   2HH2  ARG  50          2HH2      ARG  50  -9.979   0.274   6.244
  424    H    LEU  51           H        LEU  51  -4.673  -2.485   2.449
  425    HA   LEU  51           HA       LEU  51  -7.268  -3.597   2.303
  426   1HB   LEU  51          2HB       LEU  51  -5.217  -2.640   0.372
  427   2HB   LEU  51          1HB       LEU  51  -6.468  -3.691  -0.257
  428    HG   LEU  51           HG       LEU  51  -7.312  -1.567  -0.669
  429   1HD1  LEU  51          1HD1      LEU  51  -9.246  -1.345   0.642
  430   2HD1  LEU  51          2HD1      LEU  51  -8.460  -2.029   2.065
  431   3HD1  LEU  51          3HD1      LEU  51  -8.850  -3.063   0.690
  432   1HD2  LEU  51          1HD2      LEU  51  -7.291   0.242   1.070
  433   2HD2  LEU  51          2HD2      LEU  51  -5.706  -0.219   0.446
  434   3HD2  LEU  51          3HD2      LEU  51  -6.231  -0.790   2.030
  435    H    ALA  52           H        ALA  52  -4.043  -4.864   1.817
  436    HA   ALA  52           HA       ALA  52  -4.746  -7.307   0.598
  437   1HB   ALA  52          1HB       ALA  52  -2.399  -6.023   1.191
  438   2HB   ALA  52          2HB       ALA  52  -2.540  -7.657   0.544
  439   3HB   ALA  52          3HB       ALA  52  -2.365  -7.410   2.281
  440    H    GLU  53           H        GLU  53  -4.007  -6.520   4.005
  441    HA   GLU  53           HA       GLU  53  -4.411  -9.073   5.047
  442   1HB   GLU  53          2HB       GLU  53  -4.934  -7.866   7.208
  443   2HB   GLU  53          1HB       GLU  53  -3.394  -7.469   6.462
  444   1HG   GLU  53          2HG       GLU  53  -4.297  -5.404   5.602
  445   2HG   GLU  53          1HG       GLU  53  -5.899  -5.818   6.213
  446    H    LEU  54           H        LEU  54  -6.711  -6.456   4.462
  447    HA   LEU  54           HA       LEU  54  -8.961  -7.614   5.650
  448   1HB   LEU  54          2HB       LEU  54  -8.398  -5.427   3.835
  449   2HB   LEU  54          1HB       LEU  54  -9.885  -6.242   3.390
  450    HG   LEU  54           HG       LEU  54 -10.817  -5.842   5.593
  451   1HD1  LEU  54          1HD1      LEU  54  -8.053  -4.883   6.188
  452   2HD1  LEU  54          2HD1      LEU  54  -9.098  -5.950   7.126
  453   3HD1  LEU  54          3HD1      LEU  54  -9.428  -4.218   7.070
  454   1HD2  LEU  54          1HD2      LEU  54 -11.420  -4.056   4.314
  455   2HD2  LEU  54          2HD2      LEU  54  -9.753  -3.586   3.984
  456   3HD2  LEU  54          3HD2      LEU  54 -10.481  -3.215   5.547
  457    H    THR  55           H        THR  55  -7.358  -8.244   2.630
  458    HA   THR  55           HA       THR  55  -9.522  -9.817   1.544
  459    HB   THR  55           HB       THR  55  -6.690  -9.820   0.532
  460    HG1  THR  55           1HG      THR  55  -8.666  -7.828   0.151
  461   1HG2  THR  55          1HG2      THR  55  -9.328  -9.968  -0.907
  462   2HG2  THR  55          2HG2      THR  55  -8.250 -11.327  -0.582
  463   3HG2  THR  55          3HG2      THR  55  -7.728 -10.022  -1.648
  464    H    MET  56           H        MET  56  -6.466 -10.398   3.211
  465    HA   MET  56           HA       MET  56  -6.807 -13.287   2.949
  466   1HB   MET  56          2HB       MET  56  -4.636 -12.079   4.596
  467   2HB   MET  56          1HB       MET  56  -4.618 -13.545   3.631
  468   1HG   MET  56          2HG       MET  56  -4.206 -10.716   2.789
  469   2HG   MET  56          1HG       MET  56  -3.209 -12.131   2.484
  470   1HE   MET  56          1HE       MET  56  -5.537 -14.068  -0.070
  471   2HE   MET  56          2HE       MET  56  -5.109 -14.242   1.633
  472   3HE   MET  56          3HE       MET  56  -3.845 -13.995   0.427
  473    H    ASN  57           H        ASN  57  -8.472 -11.372   4.698
  474    HA   ASN  57           HA       ASN  57  -9.564 -11.506   6.678
  475   1HB   ASN  57          2HB       ASN  57  -8.477 -14.249   6.350
  476   2HB   ASN  57          1HB       ASN  57  -9.034 -13.805   7.960
  477   1HD2  ASN  57          1HD2      ASN  57 -11.225 -12.639   7.912
  478   2HD2  ASN  57          2HD2      ASN  57 -12.435 -13.372   6.919
  479    H    LYS  58           H        LYS  58  -7.734  -9.828   6.994
  480    HA   LYS  58           HA       LYS  58  -6.393  -8.752   8.470
  481   1HB   LYS  58          2HB       LYS  58  -7.405 -10.981  10.212
  482   2HB   LYS  58          1HB       LYS  58  -6.238  -9.815  10.814
  483   1HG   LYS  58          2HG       LYS  58  -8.611  -8.677   9.498
  484   2HG   LYS  58          1HG       LYS  58  -8.900  -9.520  11.021
  485   1HD   LYS  58          2HD       LYS  58  -8.492  -7.149  11.407
  486   2HD   LYS  58          1HD       LYS  58  -7.200  -8.127  12.107
  487   1HE   LYS  58          2HE       LYS  58  -5.845  -7.692  10.071
  488   2HE   LYS  58          1HE       LYS  58  -7.115  -6.608   9.504
  489   1HZ   LYS  58          1HZ       LYS  58  -6.776  -5.385  11.674
  490   2HZ   LYS  58          2HZ       LYS  58  -5.534  -5.246  10.535
  491   3HZ   LYS  58          3HZ       LYS  58  -5.354  -6.283  11.859
  492    H    LEU  59           H        LEU  59  -5.295 -10.864   6.675
  493    HA   LEU  59           HA       LEU  59  -2.841 -11.411   8.212
  494   1HB   LEU  59          2HB       LEU  59  -3.824 -13.519   7.763
  495   2HB   LEU  59          1HB       LEU  59  -4.182 -13.086   6.104
  496    HG   LEU  59           HG       LEU  59  -2.204 -14.701   6.613
  497   1HD1  LEU  59          1HD1      LEU  59  -1.280 -14.187   4.570
  498   2HD1  LEU  59          2HD1      LEU  59  -1.441 -12.446   4.812
  499   3HD1  LEU  59          3HD1      LEU  59  -2.861 -13.422   4.441
  500   1HD2  LEU  59          1HD2      LEU  59  -0.287 -13.897   7.465
  501   2HD2  LEU  59          2HD2      LEU  59  -1.331 -12.657   8.160
  502   3HD2  LEU  59          3HD2      LEU  59  -0.464 -12.339   6.658
  503    H    TYR  60           H        TYR  60  -1.121 -10.360   7.546
  504    HA   TYR  60           HA       TYR  60  -0.912  -9.620   4.706
  505   1HB   TYR  60          2HB       TYR  60  -0.190  -7.459   5.197
  506   2HB   TYR  60          1HB       TYR  60  -1.459  -7.718   6.384
  507    HD1  TYR  60           1HD      TYR  60   2.192  -7.633   5.884
  508    HD2  TYR  60           2HD      TYR  60  -0.981  -7.685   8.713
  509    HE1  TYR  60           1HE      TYR  60   3.791  -7.090   7.676
  510    HE2  TYR  60           2HE      TYR  60   0.605  -7.141  10.515
  511    HH   TYR  60           HH       TYR  60   3.601  -7.586  10.522
  512    H    ASP  61           H        ASP  61   1.329  -9.230   3.993
  513    HA   ASP  61           HA       ASP  61   3.603  -9.604   3.974
  514   1HB   ASP  61          2HB       ASP  61   3.221  -9.767   6.649
  515   2HB   ASP  61          1HB       ASP  61   3.675 -11.432   6.299
  516    H    LYS  62           H        LYS  62   1.085 -11.778   3.929
  517    HA   LYS  62           HA       LYS  62   2.769 -13.784   2.596
  518   1HB   LYS  62          2HB       LYS  62   0.700 -14.154   4.707
  519   2HB   LYS  62          1HB       LYS  62   0.793 -15.361   3.434
  520   1HG   LYS  62          2HG       LYS  62   2.309 -16.344   4.740
  521   2HG   LYS  62          1HG       LYS  62   3.413 -15.101   4.146
  522   1HD   LYS  62          2HD       LYS  62   3.484 -14.052   6.132
  523   2HD   LYS  62          1HD       LYS  62   1.750 -14.243   6.399
  524   1HE   LYS  62          2HE       LYS  62   2.331 -15.713   7.982
  525   2HE   LYS  62          1HE       LYS  62   2.671 -16.812   6.646
  526   1HZ   LYS  62          1HZ       LYS  62   4.960 -15.464   6.772
  527   2HZ   LYS  62          2HZ       LYS  62   4.678 -16.898   7.624
  528   3HZ   LYS  62          3HZ       LYS  62   4.505 -15.407   8.402
  529    H    ILE  63           H        ILE  63   0.814 -11.448   1.890
  530    HA   ILE  63           HA       ILE  63  -1.382 -12.586   0.538
  531    HB   ILE  63           HB       ILE  63  -0.045 -10.015  -0.278
  532   1HG1  ILE  63          2HG1      ILE  63  -2.081  -9.345   1.497
  533   2HG1  ILE  63          1HG1      ILE  63  -1.274 -10.700   2.281
  534   1HG2  ILE  63          1HG2      ILE  63  -2.669 -11.303  -0.697
  535   2HG2  ILE  63          2HG2      ILE  63  -1.746 -10.233  -1.752
  536   3HG2  ILE  63          3HG2      ILE  63  -2.684  -9.561  -0.417
  537   1HD1  ILE  63          1HD1      ILE  63  -0.020  -8.118   1.383
  538   2HD1  ILE  63          2HD1      ILE  63   0.873  -9.492   2.034
  539   3HD1  ILE  63          3HD1      ILE  63  -0.305  -8.648   3.042
  540    HA   PRO  64           HA       PRO  64   1.019 -14.296  -2.858
  541   1HB   PRO  64          2HB       PRO  64  -1.031 -15.508  -4.130
  542   2HB   PRO  64          1HB       PRO  64  -0.314 -16.165  -2.653
  543   1HG   PRO  64          2HG       PRO  64  -2.818 -14.560  -2.993
  544   2HG   PRO  64          1HG       PRO  64  -2.537 -15.995  -1.990
  545   1HD   PRO  64          2HD       PRO  64  -2.535 -13.464  -0.992
  546   2HD   PRO  64          1HD       PRO  64  -1.558 -14.779  -0.301
  547    H    SER  65           H        SER  65   0.184 -14.540  -5.384
  548    HA   SER  65           HA       SER  65  -0.116 -11.766  -6.226
  549   1HB   SER  65          2HB       SER  65   1.707 -13.172  -7.175
  550   2HB   SER  65          1HB       SER  65   0.484 -14.214  -7.902
  551    HG   SER  65           HG       SER  65   1.425 -12.427  -9.221
  552    H    SER  66           H        SER  66  -1.851 -14.785  -6.252
  553    HA   SER  66           HA       SER  66  -3.746 -14.115  -8.253
  554   1HB   SER  66          2HB       SER  66  -3.694 -16.147  -6.032
  555   2HB   SER  66          1HB       SER  66  -5.120 -15.943  -7.049
  556    HG   SER  66           HG       SER  66  -3.229 -17.489  -7.626
  557    H    VAL  67           H        VAL  67  -3.814 -13.899  -4.706
  558    HA   VAL  67           HA       VAL  67  -6.446 -12.843  -4.566
  559    HB   VAL  67           HB       VAL  67  -4.256 -12.497  -2.516
  560   1HG1  VAL  67          1HG1      VAL  67  -7.127 -11.915  -2.605
  561   2HG1  VAL  67          2HG1      VAL  67  -5.863 -11.249  -1.571
  562   3HG1  VAL  67          3HG1      VAL  67  -6.605 -12.799  -1.171
  563   1HG2  VAL  67          1HG2      VAL  67  -5.031 -14.908  -3.447
  564   2HG2  VAL  67          2HG2      VAL  67  -6.234 -14.656  -2.183
  565   3HG2  VAL  67          3HG2      VAL  67  -4.516 -14.615  -1.786
  566    H    TRP  68           H        TRP  68  -3.236 -11.318  -4.336
  567    HA   TRP  68           HA       TRP  68  -4.098  -8.696  -3.972
  568   1HB   TRP  68          2HB       TRP  68  -1.624 -10.027  -4.481
  569   2HB   TRP  68          1HB       TRP  68  -1.737  -8.647  -5.566
  570    HD1  TRP  68           HD       TRP  68   0.152  -9.058  -2.837
  571    HE1  TRP  68           1HE      TRP  68   0.149  -7.113  -1.154
  572    HE3  TRP  68           3HE      TRP  68  -4.176  -6.741  -4.270
  573    HZ2  TRP  68           2HZ      TRP  68  -1.472  -4.892  -0.514
  574    HZ3  TRP  68           3HZ      TRP  68  -4.881  -4.713  -3.072
  575    HH2  TRP  68           HH       TRP  68  -3.556  -3.809  -1.232
  576    H    LYS  69           H        LYS  69  -3.573 -10.535  -6.939
  577    HA   LYS  69           HA       LYS  69  -3.939  -8.411  -8.750
  578   1HB   LYS  69          2HB       LYS  69  -2.999 -10.695  -9.270
  579   2HB   LYS  69          1HB       LYS  69  -4.648 -11.305  -9.243
  580   1HG   LYS  69          2HG       LYS  69  -5.251 -10.086 -11.149
  581   2HG   LYS  69          1HG       LYS  69  -3.832  -9.042 -11.032
  582   1HD   LYS  69          2HD       LYS  69  -2.388 -10.948 -11.559
  583   2HD   LYS  69          1HD       LYS  69  -3.807 -11.992 -11.671
  584   1HE   LYS  69          2HE       LYS  69  -3.010  -9.722 -13.470
  585   2HE   LYS  69          1HE       LYS  69  -3.261 -11.415 -13.891
  586   1HZ   LYS  69          1HZ       LYS  69  -5.197 -10.473 -14.619
  587   2HZ   LYS  69          2HZ       LYS  69  -5.246  -9.311 -13.392
  588   3HZ   LYS  69          3HZ       LYS  69  -5.659 -10.916 -13.053
  589    H    PHE  70           H        PHE  70  -6.184 -10.436  -7.007
  590    HA   PHE  70           HA       PHE  70  -8.490  -9.789  -8.546
  591   1HB   PHE  70          2HB       PHE  70  -7.988 -11.079  -5.898
  592   2HB   PHE  70          1HB       PHE  70  -9.617 -10.525  -6.270
  593    HD1  PHE  70           1HD      PHE  70  -9.984 -11.129  -9.046
  594    HD2  PHE  70           2HD      PHE  70  -7.927 -13.366  -6.068
  595    HE1  PHE  70           1HE      PHE  70 -10.399 -13.194 -10.317
  596    HE2  PHE  70           2HE      PHE  70  -8.336 -15.436  -7.334
  597    HZ   PHE  70           HZ       PHE  70  -9.573 -15.351  -9.462
  598    H    ILE  71           H        ILE  71  -7.265  -8.619  -5.416
  599    HA   ILE  71           HA       ILE  71  -9.240  -6.476  -5.420
  600    HB   ILE  71           HB       ILE  71  -8.809  -7.691  -3.320
  601   1HG1  ILE  71          2HG1      ILE  71  -7.726  -5.026  -2.656
  602   2HG1  ILE  71          1HG1      ILE  71  -9.186  -5.016  -3.641
  603   1HG2  ILE  71          1HG2      ILE  71  -6.195  -7.661  -4.035
  604   2HG2  ILE  71          2HG2      ILE  71  -6.781  -8.003  -2.408
  605   3HG2  ILE  71          3HG2      ILE  71  -6.230  -6.380  -2.823
  606   1HD1  ILE  71          1HD1      ILE  71  -9.879  -6.802  -1.741
  607   2HD1  ILE  71          2HD1      ILE  71 -10.215  -5.073  -1.656
  608   3HD1  ILE  71          3HD1      ILE  71  -8.809  -5.740  -0.827
  609    H    ARG  72           H        ARG  72  -8.826  -4.494  -6.137
  610    HA   ARG  72           HA       ARG  72  -7.732  -2.654  -6.902
  611   1HB   ARG  72          2HB       ARG  72  -6.114  -3.614  -4.653
  612   2HB   ARG  72          1HB       ARG  72  -5.211  -2.641  -5.805
  613   1HG   ARG  72          2HG       ARG  72  -7.513  -1.188  -5.466
  614   2HG   ARG  72          1HG       ARG  72  -7.223  -1.850  -3.857
  615   1HD   ARG  72          2HD       ARG  72  -5.626  -0.347  -3.509
  616   2HD   ARG  72          1HD       ARG  72  -4.742  -0.941  -4.913
  617    HE   ARG  72           HE       ARG  72  -6.345   1.436  -4.751
  618   1HH1  ARG  72          1HH1      ARG  72  -5.034  -0.985  -6.897
  619   2HH1  ARG  72          2HH1      ARG  72  -5.092   0.040  -8.292
  620   1HH2  ARG  72          1HH2      ARG  72  -6.422   2.786  -6.585
  621   2HH2  ARG  72          2HH2      ARG  72  -5.879   2.181  -8.115
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1  11.232  12.107  16.905
    2   2H    MET   1          2HT       MET   1  10.543  10.598  17.344
    3   3H    MET   1          3HT       MET   1   9.534  11.962  17.086
    4    HA   MET   1           HA       MET   1  10.440  12.004  14.776
    5   1HB   MET   1          2HB       MET   1  11.597   9.514  15.916
    6   2HB   MET   1          1HB       MET   1  11.007   9.434  14.260
    7   1HG   MET   1          2HG       MET   1  12.429  11.617  13.981
    8   2HG   MET   1          1HG       MET   1  13.272  10.991  15.397
    9   1HE   MET   1          1HE       MET   1  15.213  11.391  13.403
   10   2HE   MET   1          2HE       MET   1  14.124  11.429  12.017
   11   3HE   MET   1          3HE       MET   1  15.436  10.253  12.074
   12    H    SER   2           H        SER   2   8.570  10.178  16.993
   13    HA   SER   2           HA       SER   2   6.936   8.752  15.180
   14   1HB   SER   2          2HB       SER   2   5.389   8.507  17.084
   15   2HB   SER   2          1HB       SER   2   7.054   8.174  17.561
   16    HG   SER   2           HG       SER   2   5.840   9.566  19.014
   17    H    GLU   3           H        GLU   3   5.784   9.699  13.629
   18    HA   GLU   3           HA       GLU   3   3.703  11.538  14.271
   19   1HB   GLU   3          2HB       GLU   3   4.499  13.381  12.787
   20   2HB   GLU   3          1HB       GLU   3   5.453  13.185  14.250
   21   1HG   GLU   3          2HG       GLU   3   7.140  11.952  12.958
   22   2HG   GLU   3          1HG       GLU   3   6.194  12.223  11.496
   23    H    LYS   4           H        LYS   4   2.948  12.535  11.924
   24    HA   LYS   4           HA       LYS   4   1.832  10.412  10.551
   25   1HB   LYS   4          2HB       LYS   4   2.115  13.300  10.098
   26   2HB   LYS   4          1HB       LYS   4   1.914  12.362   8.625
   27   1HG   LYS   4          2HG       LYS   4  -0.106  11.313   9.694
   28   2HG   LYS   4          1HG       LYS   4   0.053  12.513  10.979
   29   1HD   LYS   4          2HD       LYS   4  -0.052  13.348   8.103
   30   2HD   LYS   4          1HD       LYS   4  -1.534  13.005   8.998
   31   1HE   LYS   4          2HE       LYS   4  -0.548  14.619  10.766
   32   2HE   LYS   4          1HE       LYS   4   0.496  15.159   9.453
   33   1HZ   LYS   4          1HZ       LYS   4  -2.473  15.131   9.362
   34   2HZ   LYS   4          2HZ       LYS   4  -1.441  15.723   8.159
   35   3HZ   LYS   4          3HZ       LYS   4  -1.524  16.501   9.659
   36    HA   PRO   5           HA       PRO   5   5.214  10.581   7.189
   37   1HB   PRO   5          2HB       PRO   5   7.163  12.419   7.271
   38   2HB   PRO   5          1HB       PRO   5   5.557  12.807   6.644
   39   1HG   PRO   5          2HG       PRO   5   6.731  13.392   9.335
   40   2HG   PRO   5          1HG       PRO   5   5.758  14.442   8.289
   41   1HD   PRO   5          2HD       PRO   5   4.741  13.047  10.420
   42   2HD   PRO   5          1HD       PRO   5   3.784  13.528   9.004
   43    H    LEU   6           H        LEU   6   5.397   9.005   9.343
   44    HA   LEU   6           HA       LEU   6   8.215   9.017  10.162
   45   1HB   LEU   6          2HB       LEU   6   6.347   9.000  11.884
   46   2HB   LEU   6          1HB       LEU   6   6.001   7.366  11.363
   47    HG   LEU   6           HG       LEU   6   7.450   7.711  13.461
   48   1HD1  LEU   6          1HD1      LEU   6   8.746   5.715  12.980
   49   2HD1  LEU   6          2HD1      LEU   6   8.426   5.905  11.257
   50   3HD1  LEU   6          3HD1      LEU   6   7.100   5.557  12.368
   51   1HD2  LEU   6          1HD2      LEU   6   9.629   8.353  13.285
   52   2HD2  LEU   6          2HD2      LEU   6   8.937   9.332  11.993
   53   3HD2  LEU   6          3HD2      LEU   6   9.766   7.825  11.608
   54    H    THR   7           H        THR   7   5.926   6.322   9.903
   55    HA   THR   7           HA       THR   7   7.497   5.134   7.763
   56    HB   THR   7           HB       THR   7   7.524   2.935   9.110
   57    HG1  THR   7           1HG      THR   7   7.332   3.080  11.255
   58   1HG2  THR   7          1HG2      THR   7   9.562   3.719  10.475
   59   2HG2  THR   7          2HG2      THR   7   9.335   5.248   9.627
   60   3HG2  THR   7          3HG2      THR   7   9.634   3.770   8.713
   61    H    LYS   8           H        LYS   8   6.491   2.958   7.118
   62    HA   LYS   8           HA       LYS   8   3.823   3.373   6.396
   63   1HB   LYS   8          2HB       LYS   8   5.266   0.722   6.552
   64   2HB   LYS   8          1HB       LYS   8   3.846   1.085   5.580
   65   1HG   LYS   8          2HG       LYS   8   5.172   2.702   4.286
   66   2HG   LYS   8          1HG       LYS   8   6.595   2.264   5.232
   67   1HD   LYS   8          2HD       LYS   8   6.063  -0.151   4.470
   68   2HD   LYS   8          1HD       LYS   8   5.074   0.629   3.234
   69   1HE   LYS   8          2HE       LYS   8   6.867   1.374   2.087
   70   2HE   LYS   8          1HE       LYS   8   7.787   1.722   3.551
   71   1HZ   LYS   8          1HZ       LYS   8   7.706  -0.694   1.940
   72   2HZ   LYS   8          2HZ       LYS   8   7.752  -0.935   3.613
   73   3HZ   LYS   8          3HZ       LYS   8   8.972  -0.042   2.855
   74    H    THR   9           H        THR   9   5.242   1.564   9.064
   75    HA   THR   9           HA       THR   9   2.844   0.362   9.962
   76    HB   THR   9           HB       THR   9   4.829   0.946  12.041
   77    HG1  THR   9           1HG      THR   9   6.476   0.696  10.767
   78   1HG2  THR   9          1HG2      THR   9   4.855  -1.494  12.261
   79   2HG2  THR   9          2HG2      THR   9   3.785  -1.615  10.866
   80   3HG2  THR   9          3HG2      THR   9   3.226  -0.824  12.340
   81    H    ASP  10           H        ASP  10   4.507   3.362  10.846
   82    HA   ASP  10           HA       ASP  10   2.942   4.127  13.006
   83   1HB   ASP  10          2HB       ASP  10   5.000   5.293  12.375
   84   2HB   ASP  10          1HB       ASP  10   4.228   5.899  10.913
   85    H    TYR  11           H        TYR  11   2.466   4.913   9.563
   86    HA   TYR  11           HA       TYR  11  -0.036   6.227  10.061
   87   1HB   TYR  11          2HB       TYR  11   1.793   6.083   7.922
   88   2HB   TYR  11          1HB       TYR  11   0.282   5.419   7.311
   89    HD1  TYR  11           1HD      TYR  11   2.107   8.334   7.572
   90    HD2  TYR  11           2HD      TYR  11  -1.855   6.892   8.137
   91    HE1  TYR  11           1HE      TYR  11   1.240  10.613   7.260
   92    HE2  TYR  11           2HE      TYR  11  -2.734   9.167   7.825
   93    HH   TYR  11           HH       TYR  11  -1.165  11.571   6.437
   94    H    LEU  12           H        LEU  12   0.948   3.099   8.717
   95    HA   LEU  12           HA       LEU  12  -1.541   2.134   7.959
   96   1HB   LEU  12          2HB       LEU  12   0.547   1.015   7.396
   97   2HB   LEU  12          1HB       LEU  12   0.813   0.617   9.082
   98    HG   LEU  12           HG       LEU  12  -0.050  -1.234   7.539
   99   1HD1  LEU  12          1HD1      LEU  12  -1.944  -1.052   9.780
  100   2HD1  LEU  12          2HD1      LEU  12  -0.244  -0.859  10.203
  101   3HD1  LEU  12          3HD1      LEU  12  -0.784  -2.314   9.367
  102   1HD2  LEU  12          1HD2      LEU  12  -2.799  -0.331   8.076
  103   2HD2  LEU  12          2HD2      LEU  12  -2.133  -1.188   6.686
  104   3HD2  LEU  12          3HD2      LEU  12  -1.936   0.558   6.822
  105    H    MET  13           H        MET  13   0.073   1.833  11.117
  106    HA   MET  13           HA       MET  13  -2.049   0.370  12.314
  107   1HB   MET  13          2HB       MET  13  -0.897   0.734  14.409
  108   2HB   MET  13          1HB       MET  13   0.277   0.343  13.161
  109   1HG   MET  13          2HG       MET  13   1.409   2.141  13.763
  110   2HG   MET  13          1HG       MET  13   0.090   3.120  13.124
  111   1HE   MET  13          1HE       MET  13   0.454   0.662  15.869
  112   2HE   MET  13          2HE       MET  13  -0.251   1.428  17.292
  113   3HE   MET  13          3HE       MET  13   1.447   1.695  16.898
  114    H    ARG  14           H        ARG  14  -1.359   3.770  11.930
  115    HA   ARG  14           HA       ARG  14  -3.326   4.643  13.833
  116   1HB   ARG  14          2HB       ARG  14  -1.339   6.001  13.291
  117   2HB   ARG  14          1HB       ARG  14  -1.926   6.190  11.645
  118   1HG   ARG  14          2HG       ARG  14  -3.564   7.666  12.246
  119   2HG   ARG  14          1HG       ARG  14  -3.695   7.020  13.883
  120   1HD   ARG  14          2HD       ARG  14  -1.255   8.489  12.926
  121   2HD   ARG  14          1HD       ARG  14  -2.643   9.326  13.620
  122    HE   ARG  14           HE       ARG  14  -1.642   7.192  15.263
  123   1HH1  ARG  14          1HH1      ARG  14  -1.305  10.565  14.441
  124   2HH1  ARG  14          2HH1      ARG  14  -0.587  10.992  15.958
  125   1HH2  ARG  14          1HH2      ARG  14  -0.699   7.750  17.260
  126   2HH2  ARG  14          2HH2      ARG  14  -0.243   9.394  17.559
  127    H    LEU  15           H        LEU  15  -3.248   3.943  10.419
  128    HA   LEU  15           HA       LEU  15  -5.609   5.308   9.676
  129   1HB   LEU  15          2HB       LEU  15  -3.655   3.979   8.334
  130   2HB   LEU  15          1HB       LEU  15  -4.969   2.824   8.224
  131    HG   LEU  15           HG       LEU  15  -5.819   5.535   7.566
  132   1HD1  LEU  15          1HD1      LEU  15  -4.041   4.331   5.504
  133   2HD1  LEU  15          2HD1      LEU  15  -3.324   5.300   6.792
  134   3HD1  LEU  15          3HD1      LEU  15  -4.539   6.008   5.728
  135   1HD2  LEU  15          1HD2      LEU  15  -5.916   3.406   5.551
  136   2HD2  LEU  15          2HD2      LEU  15  -7.202   4.432   6.186
  137   3HD2  LEU  15          3HD2      LEU  15  -6.687   3.005   7.086
  138    H    ARG  16           H        ARG  16  -5.016   1.948  10.660
  139    HA   ARG  16           HA       ARG  16  -7.666   1.049  10.346
  140   1HB   ARG  16          2HB       ARG  16  -5.327  -0.176  10.878
  141   2HB   ARG  16          1HB       ARG  16  -6.026  -0.169  12.492
  142   1HG   ARG  16          2HG       ARG  16  -8.091  -1.019  10.833
  143   2HG   ARG  16          1HG       ARG  16  -6.649  -1.831  10.219
  144   1HD   ARG  16          2HD       ARG  16  -7.412  -1.802  13.131
  145   2HD   ARG  16          1HD       ARG  16  -7.929  -3.062  12.011
  146    HE   ARG  16           HE       ARG  16  -5.090  -2.635  12.028
  147   1HH1  ARG  16          1HH1      ARG  16  -7.734  -4.310  13.571
  148   2HH1  ARG  16          2HH1      ARG  16  -6.734  -5.585  14.182
  149   1HH2  ARG  16          1HH2      ARG  16  -3.773  -4.311  12.830
  150   2HH2  ARG  16          2HH2      ARG  16  -4.486  -5.585  13.762
  151    H    ARG  17           H        ARG  17  -6.242   3.076  12.703
  152    HA   ARG  17           HA       ARG  17  -7.690   2.514  14.998
  153   1HB   ARG  17          2HB       ARG  17  -5.850   4.384  14.312
  154   2HB   ARG  17          1HB       ARG  17  -7.297   5.381  14.400
  155   1HG   ARG  17          2HG       ARG  17  -6.736   5.550  16.563
  156   2HG   ARG  17          1HG       ARG  17  -7.535   3.982  16.693
  157   1HD   ARG  17          2HD       ARG  17  -5.600   2.883  17.040
  158   2HD   ARG  17          1HD       ARG  17  -4.709   3.881  15.893
  159    HE   ARG  17           HE       ARG  17  -4.910   4.263  18.728
  160   1HH1  ARG  17          1HH1      ARG  17  -4.375   5.866  15.674
  161   2HH1  ARG  17          2HH1      ARG  17  -3.495   7.181  16.376
  162   1HH2  ARG  17          1HH2      ARG  17  -3.753   5.995  19.653
  163   2HH2  ARG  17          2HH2      ARG  17  -3.143   7.255  18.635
  164    H    CYS  18           H        CYS  18  -8.764   3.922  12.026
  165    HA   CYS  18           HA       CYS  18 -10.957   5.413  12.846
  166   1HB   CYS  18          2HB       CYS  18  -9.893   4.734  10.433
  167   2HB   CYS  18          1HB       CYS  18 -11.381   3.795  10.417
  168    HG   CYS  18           HG       CYS  18 -11.243   6.654   9.784
  169    H    GLN  19           H        GLN  19 -13.268   4.480  11.869
  170    HA   GLN  19           HA       GLN  19 -13.860   2.237  13.664
  171   1HB   GLN  19          2HB       GLN  19 -15.051   4.511  13.828
  172   2HB   GLN  19          1HB       GLN  19 -15.902   4.025  12.368
  173   1HG   GLN  19          2HG       GLN  19 -17.019   2.300  13.440
  174   2HG   GLN  19          1HG       GLN  19 -15.863   2.247  14.771
  175   1HE2  GLN  19          1HE2      GLN  19 -18.042   2.245  15.887
  176   2HE2  GLN  19          2HE2      GLN  19 -18.674   3.787  16.344
  177    H    THR  20           H        THR  20 -14.338   3.367  10.355
  178    HA   THR  20           HA       THR  20 -14.830   0.592   9.553
  179    HB   THR  20           HB       THR  20 -17.027   1.711   9.768
  180    HG1  THR  20           1HG      THR  20 -17.731   1.173   7.669
  181   1HG2  THR  20          1HG2      THR  20 -17.343   3.305   7.615
  182   2HG2  THR  20          2HG2      THR  20 -15.722   3.766   8.135
  183   3HG2  THR  20          3HG2      THR  20 -17.076   3.888   9.258
  184    H    ILE  21           H        ILE  21 -14.263   0.100   7.404
  185    HA   ILE  21           HA       ILE  21 -12.080   1.649   6.391
  186    HB   ILE  21           HB       ILE  21 -13.468  -0.793   5.279
  187   1HG1  ILE  21          2HG1      ILE  21 -11.222  -1.827   5.946
  188   2HG1  ILE  21          1HG1      ILE  21 -10.940  -0.348   6.861
  189   1HG2  ILE  21          1HG2      ILE  21 -12.488   0.444   3.446
  190   2HG2  ILE  21          2HG2      ILE  21 -11.527  -0.999   3.773
  191   3HG2  ILE  21          3HG2      ILE  21 -10.960   0.579   4.319
  192   1HD1  ILE  21          1HD1      ILE  21 -12.034  -2.528   7.919
  193   2HD1  ILE  21          2HD1      ILE  21 -13.499  -1.735   7.343
  194   3HD1  ILE  21          3HD1      ILE  21 -12.426  -0.898   8.464
  195    H    ASP  22           H        ASP  22 -15.458   1.236   5.568
  196    HA   ASP  22           HA       ASP  22 -15.492   2.274   2.989
  197   1HB   ASP  22          2HB       ASP  22 -17.393   1.413   4.787
  198   2HB   ASP  22          1HB       ASP  22 -17.766   3.126   4.631
  199    H    THR  23           H        THR  23 -15.898   4.010   6.075
  200    HA   THR  23           HA       THR  23 -16.111   6.579   4.934
  201    HB   THR  23           HB       THR  23 -16.596   5.702   7.365
  202    HG1  THR  23           1HG      THR  23 -15.526   8.291   6.947
  203   1HG2  THR  23          1HG2      THR  23 -13.842   6.848   7.743
  204   2HG2  THR  23          2HG2      THR  23 -14.287   5.156   7.959
  205   3HG2  THR  23          3HG2      THR  23 -14.976   6.390   9.013
  206    H    LEU  24           H        LEU  24 -13.350   4.793   6.240
  207    HA   LEU  24           HA       LEU  24 -11.401   6.764   5.989
  208   1HB   LEU  24          2HB       LEU  24 -11.482   3.925   6.430
  209   2HB   LEU  24          1HB       LEU  24 -10.175   4.312   5.327
  210    HG   LEU  24           HG       LEU  24 -10.581   5.450   8.083
  211   1HD1  LEU  24          1HD1      LEU  24  -8.977   3.244   6.969
  212   2HD1  LEU  24          2HD1      LEU  24  -9.627   3.472   8.593
  213   3HD1  LEU  24          3HD1      LEU  24  -8.151   4.308   8.108
  214   1HD2  LEU  24          1HD2      LEU  24  -9.337   7.175   7.444
  215   2HD2  LEU  24          2HD2      LEU  24  -9.147   6.493   5.829
  216   3HD2  LEU  24          3HD2      LEU  24  -8.018   6.054   7.110
  217    H    GLU  25           H        GLU  25 -12.843   4.688   3.589
  218    HA   GLU  25           HA       GLU  25 -10.968   4.960   1.529
  219   1HB   GLU  25          2HB       GLU  25 -12.985   3.436   1.554
  220   2HB   GLU  25          1HB       GLU  25 -13.967   4.840   1.161
  221   1HG   GLU  25          2HG       GLU  25 -11.632   4.182  -0.564
  222   2HG   GLU  25          1HG       GLU  25 -13.108   3.227  -0.707
  223    H    ARG  26           H        ARG  26 -13.629   7.030   2.549
  224    HA   ARG  26           HA       ARG  26 -13.485   8.888   0.431
  225   1HB   ARG  26          2HB       ARG  26 -15.431   8.779   1.883
  226   2HB   ARG  26          1HB       ARG  26 -14.456   9.217   3.278
  227   1HG   ARG  26          2HG       ARG  26 -14.133  11.211   1.262
  228   2HG   ARG  26          1HG       ARG  26 -15.854  10.914   1.512
  229   1HD   ARG  26          2HD       ARG  26 -14.872  10.980   4.075
  230   2HD   ARG  26          1HD       ARG  26 -13.893  12.196   3.256
  231    HE   ARG  26           HE       ARG  26 -16.714  12.428   2.742
  232   1HH1  ARG  26          1HH1      ARG  26 -14.107  13.317   4.885
  233   2HH1  ARG  26          2HH1      ARG  26 -14.915  14.727   5.485
  234   1HH2  ARG  26          1HH2      ARG  26 -17.777  14.280   3.530
  235   2HH2  ARG  26          2HH2      ARG  26 -16.999  15.272   4.716
  236    H    VAL  27           H        VAL  27 -12.043   8.879   3.686
  237    HA   VAL  27           HA       VAL  27 -10.626  11.319   3.274
  238    HB   VAL  27           HB       VAL  27 -11.276  10.268   5.527
  239   1HG1  VAL  27          1HG1      VAL  27 -10.303   8.405   6.232
  240   2HG1  VAL  27          2HG1      VAL  27  -8.700   9.086   5.961
  241   3HG1  VAL  27          3HG1      VAL  27  -9.534   8.250   4.655
  242   1HG2  VAL  27          1HG2      VAL  27  -8.863  11.079   6.403
  243   2HG2  VAL  27          2HG2      VAL  27 -10.141  12.179   5.888
  244   3HG2  VAL  27          3HG2      VAL  27  -8.848  11.748   4.770
  245    H    ILE  28           H        ILE  28 -10.043   8.018   2.501
  246    HA   ILE  28           HA       ILE  28  -7.252   7.970   2.366
  247    HB   ILE  28           HB       ILE  28  -9.309   6.195   1.780
  248   1HG1  ILE  28          2HG1      ILE  28  -7.467   4.563   1.435
  249   2HG1  ILE  28          1HG1      ILE  28  -6.330   5.906   1.357
  250   1HG2  ILE  28          1HG2      ILE  28  -9.358   7.026  -0.540
  251   2HG2  ILE  28          2HG2      ILE  28  -8.898   5.327  -0.433
  252   3HG2  ILE  28          3HG2      ILE  28  -7.668   6.557  -0.721
  253   1HD1  ILE  28          1HD1      ILE  28  -7.283   6.514   3.687
  254   2HD1  ILE  28          2HD1      ILE  28  -6.124   5.193   3.536
  255   3HD1  ILE  28          3HD1      ILE  28  -7.845   4.844   3.695
  256    H    GLU  29           H        GLU  29  -9.684   9.080   0.083
  257    HA   GLU  29           HA       GLU  29  -7.824   9.599  -2.033
  258   1HB   GLU  29          2HB       GLU  29 -10.692   9.770  -1.621
  259   2HB   GLU  29          1HB       GLU  29 -10.086  11.177  -2.483
  260   1HG   GLU  29          2HG       GLU  29  -8.900   8.829  -3.584
  261   2HG   GLU  29          1HG       GLU  29 -10.648   8.612  -3.498
  262    H    LYS  30           H        LYS  30  -9.451  11.565   0.422
  263    HA   LYS  30           HA       LYS  30  -8.451  14.058  -0.434
  264   1HB   LYS  30          2HB       LYS  30 -10.270  13.275   1.419
  265   2HB   LYS  30          1HB       LYS  30  -8.921  13.705   2.461
  266   1HG   LYS  30          2HG       LYS  30 -10.056  15.692   2.341
  267   2HG   LYS  30          1HG       LYS  30  -8.880  15.889   1.039
  268   1HD   LYS  30          2HD       LYS  30 -11.354  14.588   0.188
  269   2HD   LYS  30          1HD       LYS  30 -11.597  16.221   0.811
  270   1HE   LYS  30          2HE       LYS  30 -11.073  16.862  -1.275
  271   2HE   LYS  30          1HE       LYS  30  -9.411  16.572  -0.766
  272   1HZ   LYS  30          1HZ       LYS  30 -10.107  14.133  -1.540
  273   2HZ   LYS  30          2HZ       LYS  30  -9.414  15.268  -2.584
  274   3HZ   LYS  30          3HZ       LYS  30 -11.090  15.040  -2.577
  275    H    ASN  31           H        ASN  31  -7.300  11.787   2.047
  276    HA   ASN  31           HA       ASN  31  -5.131  13.296   2.956
  277   1HB   ASN  31          2HB       ASN  31  -6.206  10.901   3.649
  278   2HB   ASN  31          1HB       ASN  31  -4.728  10.372   2.854
  279   1HD2  ASN  31          1HD2      ASN  31  -6.038  11.236   5.733
  280   2HD2  ASN  31          2HD2      ASN  31  -4.602  11.678   6.585
  281    H    LYS  32           H        LYS  32  -5.458  11.172   0.182
  282    HA   LYS  32           HA       LYS  32  -2.762  10.864  -0.482
  283   1HB   LYS  32          2HB       LYS  32  -5.332  10.723  -1.980
  284   2HB   LYS  32          1HB       LYS  32  -3.847  10.817  -2.916
  285   1HG   LYS  32          2HG       LYS  32  -3.003   8.845  -1.656
  286   2HG   LYS  32          1HG       LYS  32  -4.591   8.714  -0.898
  287   1HD   LYS  32          2HD       LYS  32  -5.032   7.342  -2.629
  288   2HD   LYS  32          1HD       LYS  32  -5.287   8.849  -3.510
  289   1HE   LYS  32          2HE       LYS  32  -2.771   8.736  -4.019
  290   2HE   LYS  32          1HE       LYS  32  -2.884   7.053  -3.506
  291   1HZ   LYS  32          1HZ       LYS  32  -3.302   6.805  -5.706
  292   2HZ   LYS  32          2HZ       LYS  32  -3.970   8.348  -5.888
  293   3HZ   LYS  32          3HZ       LYS  32  -4.888   7.106  -5.199
  294    H    TYR  33           H        TYR  33  -5.088  13.353  -1.480
  295    HA   TYR  33           HA       TYR  33  -2.996  14.850  -2.830
  296   1HB   TYR  33          2HB       TYR  33  -5.961  14.982  -2.691
  297   2HB   TYR  33          1HB       TYR  33  -5.106  16.491  -2.999
  298    HD1  TYR  33           1HD      TYR  33  -3.143  16.178  -4.844
  299    HD2  TYR  33           2HD      TYR  33  -6.676  13.827  -4.544
  300    HE1  TYR  33           1HE      TYR  33  -2.940  15.580  -7.220
  301    HE2  TYR  33           2HE      TYR  33  -6.482  13.222  -6.920
  302    HH   TYR  33           HH       TYR  33  -4.811  13.102  -8.659
  303    H    GLU  34           H        GLU  34  -4.111  14.578   0.303
  304    HA   GLU  34           HA       GLU  34  -4.007  17.322   1.093
  305   1HB   GLU  34          2HB       GLU  34  -5.267  15.486   2.287
  306   2HB   GLU  34          1HB       GLU  34  -3.716  14.901   2.872
  307   1HG   GLU  34          2HG       GLU  34  -4.658  16.212   4.596
  308   2HG   GLU  34          1HG       GLU  34  -3.349  17.159   3.888
  309    H    LEU  35           H        LEU  35  -1.905  14.612   2.101
  310    HA   LEU  35           HA       LEU  35   0.174  16.350   2.934
  311   1HB   LEU  35          2HB       LEU  35   1.402  14.454   3.489
  312   2HB   LEU  35          1HB       LEU  35  -0.246  13.998   3.766
  313    HG   LEU  35           HG       LEU  35   1.742  12.782   2.055
  314   1HD1  LEU  35          1HD1      LEU  35  -0.948  11.641   2.547
  315   2HD1  LEU  35          2HD1      LEU  35   0.118  11.921   3.923
  316   3HD1  LEU  35          3HD1      LEU  35   0.640  10.878   2.602
  317   1HD2  LEU  35          1HD2      LEU  35  -0.205  12.095   0.411
  318   2HD2  LEU  35          2HD2      LEU  35   0.845  13.473   0.086
  319   3HD2  LEU  35          3HD2      LEU  35  -0.759  13.730   0.766
  320    H    SER  36           H        SER  36   2.398  14.883   1.890
  321    HA   SER  36           HA       SER  36   2.444  15.900  -0.872
  322   1HB   SER  36          2HB       SER  36   3.848  17.230   0.707
  323   2HB   SER  36          1HB       SER  36   4.778  15.774   1.056
  324    HG   SER  36           HG       SER  36   4.461  16.857  -1.544
  325    H    ASP  37           H        ASP  37   4.600  14.862  -1.923
  326    HA   ASP  37           HA       ASP  37   3.986  12.170  -2.373
  327   1HB   ASP  37          2HB       ASP  37   6.105  12.077  -3.611
  328   2HB   ASP  37          1HB       ASP  37   5.205  13.541  -3.998
  329    H    ASN  38           H        ASN  38   5.956  13.691   0.044
  330    HA   ASN  38           HA       ASN  38   7.536  11.418   0.684
  331   1HB   ASN  38          2HB       ASN  38   6.962  14.011   2.081
  332   2HB   ASN  38          1HB       ASN  38   7.914  12.750   2.858
  333   1HD2  ASN  38          1HD2      ASN  38   7.723  14.825   0.026
  334   2HD2  ASN  38          2HD2      ASN  38   9.421  14.854  -0.294
  335    H    GLU  39           H        GLU  39   4.626  12.816   2.246
  336    HA   GLU  39           HA       GLU  39   4.545  10.625   4.120
  337   1HB   GLU  39          2HB       GLU  39   2.085  12.170   3.924
  338   2HB   GLU  39          1HB       GLU  39   3.123  11.888   5.305
  339   1HG   GLU  39          2HG       GLU  39   4.665  13.642   4.245
  340   2HG   GLU  39          1HG       GLU  39   3.265  14.062   3.260
  341    H    LEU  40           H        LEU  40   3.112  11.439   1.064
  342    HA   LEU  40           HA       LEU  40   0.930   9.695   1.049
  343   1HB   LEU  40          2HB       LEU  40   1.325  11.429  -0.631
  344   2HB   LEU  40          1HB       LEU  40   2.681  10.520  -1.264
  345    HG   LEU  40           HG       LEU  40   0.085   9.099  -1.177
  346   1HD1  LEU  40          1HD1      LEU  40  -0.936  10.214  -2.931
  347   2HD1  LEU  40          2HD1      LEU  40   0.548  11.042  -3.403
  348   3HD1  LEU  40          3HD1      LEU  40  -0.311  11.536  -1.945
  349   1HD2  LEU  40          1HD2      LEU  40   1.584   7.785  -2.242
  350   2HD2  LEU  40          2HD2      LEU  40   2.573   9.148  -2.766
  351   3HD2  LEU  40          3HD2      LEU  40   1.093   8.746  -3.637
  352    H    ALA  41           H        ALA  41   4.343   9.128   0.370
  353    HA   ALA  41           HA       ALA  41   4.160   6.581  -0.756
  354   1HB   ALA  41          1HB       ALA  41   6.454   6.232   0.073
  355   2HB   ALA  41          2HB       ALA  41   6.301   7.676   1.073
  356   3HB   ALA  41          3HB       ALA  41   6.260   7.813  -0.685
  357    H    VAL  42           H        VAL  42   3.998   7.701   2.547
  358    HA   VAL  42           HA       VAL  42   3.966   5.081   3.721
  359    HB   VAL  42           HB       VAL  42   2.992   7.615   5.033
  360   1HG1  VAL  42          1HG1      VAL  42   4.380   5.234   6.241
  361   2HG1  VAL  42          2HG1      VAL  42   2.627   5.369   6.115
  362   3HG1  VAL  42          3HG1      VAL  42   3.534   6.535   7.077
  363   1HG2  VAL  42          1HG2      VAL  42   5.832   6.644   4.738
  364   2HG2  VAL  42          2HG2      VAL  42   5.318   7.903   5.860
  365   3HG2  VAL  42          3HG2      VAL  42   5.153   8.150   4.121
  366    H    PHE  43           H        PHE  43   1.616   7.397   2.519
  367    HA   PHE  43           HA       PHE  43  -0.642   6.117   3.743
  368   1HB   PHE  43          2HB       PHE  43  -0.372   8.567   2.848
  369   2HB   PHE  43          1HB       PHE  43  -0.878   7.859   1.318
  370    HD1  PHE  43           1HD      PHE  43  -3.130   7.523   0.864
  371    HD2  PHE  43           2HD      PHE  43  -1.880   8.200   4.876
  372    HE1  PHE  43           1HE      PHE  43  -5.481   7.679   1.567
  373    HE2  PHE  43           2HE      PHE  43  -4.231   8.356   5.586
  374    HZ   PHE  43           HZ       PHE  43  -6.036   8.095   3.930
  375    H    TYR  44           H        TYR  44   0.839   6.063   0.528
  376    HA   TYR  44           HA       TYR  44  -1.113   4.426  -0.693
  377   1HB   TYR  44          2HB       TYR  44   0.896   5.854  -1.684
  378   2HB   TYR  44          1HB       TYR  44   1.725   4.303  -1.601
  379    HD1  TYR  44           1HD      TYR  44   0.606   2.306  -2.762
  380    HD2  TYR  44           2HD      TYR  44  -0.515   6.347  -3.479
  381    HE1  TYR  44           1HE      TYR  44  -0.433   1.634  -4.888
  382    HE2  TYR  44           2HE      TYR  44  -1.557   5.687  -5.606
  383    HH   TYR  44           HH       TYR  44  -1.336   3.828  -7.266
  384    H    SER  45           H        SER  45   2.034   3.660   0.771
  385    HA   SER  45           HA       SER  45   1.860   0.869   0.319
  386   1HB   SER  45          2HB       SER  45   3.817   0.678   1.641
  387   2HB   SER  45          1HB       SER  45   3.954   2.246   0.844
  388    HG   SER  45           HG       SER  45   3.125   3.182   2.789
  389    H    ALA  46           H        ALA  46   1.165   2.888   3.157
  390    HA   ALA  46           HA       ALA  46   0.428   0.762   4.863
  391   1HB   ALA  46          1HB       ALA  46   1.047   2.948   5.728
  392   2HB   ALA  46          2HB       ALA  46  -0.568   2.502   6.277
  393   3HB   ALA  46          3HB       ALA  46  -0.371   3.668   4.968
  394    H    ALA  47           H        ALA  47  -1.365   2.704   2.554
  395    HA   ALA  47           HA       ALA  47  -3.944   1.773   3.366
  396   1HB   ALA  47          1HB       ALA  47  -3.090   3.110   0.801
  397   2HB   ALA  47          2HB       ALA  47  -3.671   3.924   2.255
  398   3HB   ALA  47          3HB       ALA  47  -4.753   2.875   1.340
  399    H    ASP  48           H        ASP  48  -1.467   0.586   1.258
  400    HA   ASP  48           HA       ASP  48  -3.145  -1.105  -0.318
  401   1HB   ASP  48          2HB       ASP  48  -0.399  -0.350  -0.281
  402   2HB   ASP  48          1HB       ASP  48  -0.470  -2.108  -0.232
  403    H    HIS  49           H        HIS  49  -0.915  -1.715   2.394
  404    HA   HIS  49           HA       HIS  49  -1.312  -4.454   2.624
  405   1HB   HIS  49          2HB       HIS  49  -0.401  -2.298   4.448
  406   2HB   HIS  49          1HB       HIS  49  -0.898  -3.809   5.201
  407    HD1  HIS  49           1HD      HIS  49   0.240  -5.663   2.888
  408    HD2  HIS  49           2HD      HIS  49   2.308  -2.645   4.857
  409    HE1  HIS  49           1HE      HIS  49   2.674  -6.242   2.637
  410    HE2  HIS  49           2HE      HIS  49   3.901  -4.452   3.916
  411    H    ARG  50           H        ARG  50  -3.025  -1.841   4.342
  412    HA   ARG  50           HA       ARG  50  -4.768  -3.407   5.825
  413   1HB   ARG  50          2HB       ARG  50  -6.191  -1.437   5.983
  414   2HB   ARG  50          1HB       ARG  50  -4.500  -0.983   6.139
  415   1HG   ARG  50          2HG       ARG  50  -4.475  -0.236   3.820
  416   2HG   ARG  50          1HG       ARG  50  -6.166  -0.710   3.645
  417   1HD   ARG  50          2HD       ARG  50  -5.181   1.307   5.657
  418   2HD   ARG  50          1HD       ARG  50  -5.791   1.732   4.060
  419    HE   ARG  50           HE       ARG  50  -7.938   1.224   4.756
  420   1HH1  ARG  50          1HH1      ARG  50  -5.634   0.340   7.229
  421   2HH1  ARG  50          2HH1      ARG  50  -6.843   0.128   8.450
  422   1HH2  ARG  50          1HH2      ARG  50  -9.522   0.945   6.362
  423   2HH2  ARG  50          2HH2      ARG  50  -9.048   0.470   7.959
  424    H    LEU  51           H        LEU  51  -5.083  -2.244   2.501
  425    HA   LEU  51           HA       LEU  51  -7.726  -3.271   2.146
  426   1HB   LEU  51          2HB       LEU  51  -6.072  -1.536   0.771
  427   2HB   LEU  51          1HB       LEU  51  -6.144  -2.933  -0.286
  428    HG   LEU  51           HG       LEU  51  -8.799  -2.451   0.496
  429   1HD1  LEU  51          1HD1      LEU  51  -7.229   0.015   0.392
  430   2HD1  LEU  51          2HD1      LEU  51  -8.827  -0.289   1.071
  431   3HD1  LEU  51          3HD1      LEU  51  -8.647   0.014  -0.657
  432   1HD2  LEU  51          1HD2      LEU  51  -7.537  -3.117  -1.748
  433   2HD2  LEU  51          2HD2      LEU  51  -7.809  -1.410  -2.096
  434   3HD2  LEU  51          3HD2      LEU  51  -9.175  -2.468  -1.744
  435    H    ALA  52           H        ALA  52  -4.500  -4.344   1.126
  436    HA   ALA  52           HA       ALA  52  -5.252  -6.629  -0.280
  437   1HB   ALA  52          1HB       ALA  52  -3.012  -7.220  -0.267
  438   2HB   ALA  52          2HB       ALA  52  -2.741  -6.549   1.342
  439   3HB   ALA  52          3HB       ALA  52  -2.951  -5.473  -0.039
  440    H    GLU  53           H        GLU  53  -4.344  -6.310   3.145
  441    HA   GLU  53           HA       GLU  53  -4.696  -9.028   3.804
  442   1HB   GLU  53          2HB       GLU  53  -4.733  -8.228   6.144
  443   2HB   GLU  53          1HB       GLU  53  -3.393  -7.573   5.215
  444   1HG   GLU  53          2HG       GLU  53  -4.034  -5.630   6.122
  445   2HG   GLU  53          1HG       GLU  53  -5.240  -5.645   4.837
  446    H    LEU  54           H        LEU  54  -6.921  -6.359   3.555
  447    HA   LEU  54           HA       LEU  54  -9.044  -7.460   5.058
  448   1HB   LEU  54          2HB       LEU  54  -8.571  -5.132   3.482
  449   2HB   LEU  54          1HB       LEU  54 -10.080  -5.848   2.952
  450    HG   LEU  54           HG       LEU  54 -10.565  -5.915   5.556
  451   1HD1  LEU  54          1HD1      LEU  54  -8.192  -4.933   5.888
  452   2HD1  LEU  54          2HD1      LEU  54  -9.533  -4.291   6.837
  453   3HD1  LEU  54          3HD1      LEU  54  -8.947  -3.406   5.429
  454   1HD2  LEU  54          1HD2      LEU  54 -11.967  -4.118   5.234
  455   2HD2  LEU  54          2HD2      LEU  54 -11.647  -4.610   3.571
  456   3HD2  LEU  54          3HD2      LEU  54 -10.789  -3.234   4.264
  457    H    THR  55           H        THR  55  -7.943  -7.964   1.794
  458    HA   THR  55           HA       THR  55 -10.361  -9.256   0.920
  459    HB   THR  55           HB       THR  55  -7.619  -9.205  -0.350
  460    HG1  THR  55           1HG      THR  55  -8.601  -7.136  -0.106
  461   1HG2  THR  55          1HG2      THR  55  -9.581  -9.360  -2.315
  462   2HG2  THR  55          2HG2      THR  55 -10.029 -10.569  -1.113
  463   3HG2  THR  55          3HG2      THR  55  -8.428 -10.611  -1.851
  464    H    MET  56           H        MET  56  -7.176 -10.292   2.048
  465    HA   MET  56           HA       MET  56  -7.998 -13.091   1.794
  466   1HB   MET  56          2HB       MET  56  -5.683 -12.020   1.076
  467   2HB   MET  56          1HB       MET  56  -5.292 -12.323   2.761
  468   1HG   MET  56          2HG       MET  56  -4.623 -14.310   1.977
  469   2HG   MET  56          1HG       MET  56  -6.338 -14.705   2.094
  470   1HE   MET  56          1HE       MET  56  -3.301 -14.296   0.177
  471   2HE   MET  56          2HE       MET  56  -3.881 -12.948  -0.801
  472   3HE   MET  56          3HE       MET  56  -3.703 -14.549  -1.521
  473    H    ASN  57           H        ASN  57  -8.416 -10.806   4.033
  474    HA   ASN  57           HA       ASN  57  -9.088 -10.937   6.206
  475   1HB   ASN  57          2HB       ASN  57  -9.462 -13.484   5.450
  476   2HB   ASN  57          1HB       ASN  57  -8.173 -13.730   6.624
  477   1HD2  ASN  57          1HD2      ASN  57  -8.858 -14.160   8.580
  478   2HD2  ASN  57          2HD2      ASN  57 -10.329 -13.604   9.296
  479    H    LYS  58           H        LYS  58  -7.524  -9.514   6.864
  480    HA   LYS  58           HA       LYS  58  -5.561  -8.746   7.766
  481   1HB   LYS  58          2HB       LYS  58  -6.370 -11.058   9.509
  482   2HB   LYS  58          1HB       LYS  58  -5.017 -10.018   9.923
  483   1HG   LYS  58          2HG       LYS  58  -7.928  -9.325   9.754
  484   2HG   LYS  58          1HG       LYS  58  -6.829  -9.162  11.122
  485   1HD   LYS  58          2HD       LYS  58  -6.956  -7.491   8.623
  486   2HD   LYS  58          1HD       LYS  58  -7.184  -6.974  10.293
  487   1HE   LYS  58          2HE       LYS  58  -4.647  -8.095  10.269
  488   2HE   LYS  58          1HE       LYS  58  -4.747  -7.225   8.737
  489   1HZ   LYS  58          1HZ       LYS  58  -3.907  -5.915  10.685
  490   2HZ   LYS  58          2HZ       LYS  58  -5.466  -5.993  11.336
  491   3HZ   LYS  58          3HZ       LYS  58  -5.206  -5.216   9.856
  492    H    LEU  59           H        LEU  59  -4.778 -10.091   5.550
  493    HA   LEU  59           HA       LEU  59  -2.423 -11.601   6.482
  494   1HB   LEU  59          2HB       LEU  59  -3.929 -13.060   5.271
  495   2HB   LEU  59          1HB       LEU  59  -3.993 -11.931   3.933
  496    HG   LEU  59           HG       LEU  59  -2.527 -14.037   3.702
  497   1HD1  LEU  59          1HD1      LEU  59  -2.547 -11.743   2.386
  498   2HD1  LEU  59          2HD1      LEU  59  -1.336 -12.986   2.074
  499   3HD1  LEU  59          3HD1      LEU  59  -0.937 -11.605   3.095
  500   1HD2  LEU  59          1HD2      LEU  59  -0.771 -12.317   5.445
  501   2HD2  LEU  59          2HD2      LEU  59  -0.196 -13.684   4.491
  502   3HD2  LEU  59          3HD2      LEU  59  -1.356 -13.943   5.793
  503    H    TYR  60           H        TYR  60  -0.587 -10.520   6.212
  504    HA   TYR  60           HA       TYR  60  -0.273  -8.873   3.812
  505   1HB   TYR  60          2HB       TYR  60   1.261  -7.511   5.629
  506   2HB   TYR  60          1HB       TYR  60  -0.339  -7.028   5.087
  507    HD1  TYR  60           1HD      TYR  60  -2.298  -8.262   6.431
  508    HD2  TYR  60           2HD      TYR  60   1.620  -7.542   7.908
  509    HE1  TYR  60           1HE      TYR  60  -3.150  -8.409   8.738
  510    HE2  TYR  60           2HE      TYR  60   0.787  -7.689  10.218
  511    HH   TYR  60           HH       TYR  60  -1.364  -7.402  11.422
  512    H    ASP  61           H        ASP  61   1.974  -8.414   3.253
  513    HA   ASP  61           HA       ASP  61   4.162  -8.979   2.934
  514   1HB   ASP  61          2HB       ASP  61   3.909  -9.408   5.593
  515   2HB   ASP  61          1HB       ASP  61   4.268 -11.045   5.052
  516    H    LYS  62           H        LYS  62   1.562 -10.820   2.457
  517    HA   LYS  62           HA       LYS  62   3.066 -12.762   0.896
  518   1HB   LYS  62          2HB       LYS  62   1.509 -13.401   3.295
  519   2HB   LYS  62          1HB       LYS  62   1.061 -14.358   1.891
  520   1HG   LYS  62          2HG       LYS  62   2.905 -15.591   2.021
  521   2HG   LYS  62          1HG       LYS  62   3.936 -14.171   2.211
  522   1HD   LYS  62          2HD       LYS  62   2.266 -14.936   4.534
  523   2HD   LYS  62          1HD       LYS  62   3.613 -16.004   4.134
  524   1HE   LYS  62          2HE       LYS  62   4.337 -13.183   4.073
  525   2HE   LYS  62          1HE       LYS  62   3.754 -13.708   5.651
  526   1HZ   LYS  62          1HZ       LYS  62   5.512 -15.084   5.948
  527   2HZ   LYS  62          2HZ       LYS  62   6.265 -13.960   4.932
  528   3HZ   LYS  62          3HZ       LYS  62   5.694 -15.421   4.300
  529    H    ILE  63           H        ILE  63   0.833 -10.445   0.831
  530    HA   ILE  63           HA       ILE  63  -1.393 -11.597  -0.449
  531    HB   ILE  63           HB       ILE  63  -0.289  -8.790  -0.676
  532   1HG1  ILE  63          2HG1      ILE  63  -2.743  -8.884   0.739
  533   2HG1  ILE  63          1HG1      ILE  63  -1.740 -10.179   1.388
  534   1HG2  ILE  63          1HG2      ILE  63  -3.103  -8.949  -1.176
  535   2HG2  ILE  63          2HG2      ILE  63  -2.256 -10.038  -2.272
  536   3HG2  ILE  63          3HG2      ILE  63  -1.823  -8.331  -2.219
  537   1HD1  ILE  63          1HD1      ILE  63   0.016  -8.602   1.901
  538   2HD1  ILE  63          2HD1      ILE  63  -1.504  -8.072   2.627
  539   3HD1  ILE  63          3HD1      ILE  63  -0.907  -7.296   1.156
  540    HA   PRO  64           HA       PRO  64   0.852 -12.744  -4.204
  541   1HB   PRO  64          2HB       PRO  64  -1.851 -13.587  -5.056
  542   2HB   PRO  64          1HB       PRO  64  -0.355 -14.523  -4.973
  543   1HG   PRO  64          2HG       PRO  64  -2.331 -14.911  -3.214
  544   2HG   PRO  64          1HG       PRO  64  -0.628 -15.012  -2.728
  545   1HD   PRO  64          2HD       PRO  64  -2.591 -12.787  -2.318
  546   2HD   PRO  64          1HD       PRO  64  -1.362 -13.427  -1.203
  547    H    SER  65           H        SER  65   0.145 -12.527  -6.641
  548    HA   SER  65           HA       SER  65  -0.422  -9.726  -7.039
  549   1HB   SER  65          2HB       SER  65   0.662 -11.949  -8.666
  550   2HB   SER  65          1HB       SER  65  -0.220 -10.707  -9.554
  551    HG   SER  65           HG       SER  65   1.170  -9.161  -8.508
  552    H    SER  66           H        SER  66  -1.898 -12.815  -7.981
  553    HA   SER  66           HA       SER  66  -4.012 -11.869  -9.495
  554   1HB   SER  66          2HB       SER  66  -4.526 -14.149  -7.640
  555   2HB   SER  66          1HB       SER  66  -4.887 -13.995  -9.359
  556    HG   SER  66           HG       SER  66  -2.499 -14.068  -9.609
  557    H    VAL  67           H        VAL  67  -3.866 -12.352  -5.978
  558    HA   VAL  67           HA       VAL  67  -6.508 -11.637  -5.392
  559    HB   VAL  67           HB       VAL  67  -4.119 -11.113  -3.621
  560   1HG1  VAL  67          1HG1      VAL  67  -5.995 -11.799  -1.912
  561   2HG1  VAL  67          2HG1      VAL  67  -7.065 -11.260  -3.205
  562   3HG1  VAL  67          3HG1      VAL  67  -5.883 -10.147  -2.517
  563   1HG2  VAL  67          1HG2      VAL  67  -5.132 -13.479  -2.762
  564   2HG2  VAL  67          2HG2      VAL  67  -3.749 -13.321  -3.845
  565   3HG2  VAL  67          3HG2      VAL  67  -5.355 -13.627  -4.505
  566    H    TRP  68           H        TRP  68  -3.566  -9.626  -5.227
  567    HA   TRP  68           HA       TRP  68  -4.853  -7.212  -4.627
  568   1HB   TRP  68          2HB       TRP  68  -2.210  -8.078  -5.165
  569   2HB   TRP  68          1HB       TRP  68  -2.530  -6.729  -6.247
  570    HD1  TRP  68           HD       TRP  68  -0.590  -6.829  -3.548
  571    HE1  TRP  68           1HE      TRP  68  -0.893  -4.925  -1.846
  572    HE3  TRP  68           3HE      TRP  68  -5.266  -5.261  -4.898
  573    HZ2  TRP  68           2HZ      TRP  68  -2.851  -3.013  -1.165
  574    HZ3  TRP  68           3HZ      TRP  68  -6.282  -3.389  -3.671
  575    HH2  TRP  68           HH       TRP  68  -5.098  -2.288  -1.840
  576    H    LYS  69           H        LYS  69  -3.934  -8.643  -7.732
  577    HA   LYS  69           HA       LYS  69  -4.666  -6.538  -9.406
  578   1HB   LYS  69          2HB       LYS  69  -3.571  -8.947  -9.837
  579   2HB   LYS  69          1HB       LYS  69  -5.214  -9.299 -10.351
  580   1HG   LYS  69          2HG       LYS  69  -4.580  -8.522 -12.337
  581   2HG   LYS  69          1HG       LYS  69  -4.698  -6.920 -11.608
  582   1HD   LYS  69          2HD       LYS  69  -2.411  -6.750 -11.301
  583   2HD   LYS  69          1HD       LYS  69  -2.174  -8.498 -11.328
  584   1HE   LYS  69          2HE       LYS  69  -3.043  -6.916 -13.736
  585   2HE   LYS  69          1HE       LYS  69  -1.352  -7.238 -13.355
  586   1HZ   LYS  69          1HZ       LYS  69  -1.726  -9.568 -13.557
  587   2HZ   LYS  69          2HZ       LYS  69  -2.359  -8.831 -14.942
  588   3HZ   LYS  69          3HZ       LYS  69  -3.397  -9.357 -13.716
  589    H    PHE  70           H        PHE  70  -6.621  -8.994  -7.854
  590    HA   PHE  70           HA       PHE  70  -8.985  -8.538  -9.366
  591   1HB   PHE  70          2HB       PHE  70  -8.336  -9.945  -6.809
  592   2HB   PHE  70          1HB       PHE  70 -10.021  -9.607  -7.189
  593    HD1  PHE  70           1HD      PHE  70 -10.396 -10.104  -9.920
  594    HD2  PHE  70           2HD      PHE  70  -7.782 -12.120  -7.234
  595    HE1  PHE  70           1HE      PHE  70 -10.475 -12.103 -11.351
  596    HE2  PHE  70           2HE      PHE  70  -7.857 -14.124  -8.660
  597    HZ   PHE  70           HZ       PHE  70  -9.204 -14.116 -10.722
  598    H    ILE  71           H        ILE  71  -7.954  -7.462  -6.133
  599    HA   ILE  71           HA       ILE  71 -10.197  -5.598  -6.032
  600    HB   ILE  71           HB       ILE  71  -9.669  -6.941  -4.026
  601   1HG1  ILE  71          2HG1      ILE  71  -9.083  -4.065  -3.377
  602   2HG1  ILE  71          1HG1      ILE  71 -10.648  -4.537  -4.031
  603   1HG2  ILE  71          1HG2      ILE  71  -7.104  -6.655  -4.554
  604   2HG2  ILE  71          2HG2      ILE  71  -7.678  -6.887  -2.904
  605   3HG2  ILE  71          3HG2      ILE  71  -7.272  -5.269  -3.477
  606   1HD1  ILE  71          1HD1      ILE  71 -10.673  -4.385  -1.595
  607   2HD1  ILE  71          2HD1      ILE  71  -9.415  -5.618  -1.508
  608   3HD1  ILE  71          3HD1      ILE  71 -11.006  -6.025  -2.152
  609    H    ARG  72           H        ARG  72  -9.984  -3.596  -6.758
  610    HA   ARG  72           HA       ARG  72  -7.662  -2.016  -6.160
  611   1HB   ARG  72          2HB       ARG  72  -7.310  -1.433  -8.621
  612   2HB   ARG  72          1HB       ARG  72  -6.692  -2.985  -8.072
  613   1HG   ARG  72          2HG       ARG  72  -8.566  -4.133  -9.050
  614   2HG   ARG  72          1HG       ARG  72  -9.319  -2.598  -9.488
  615   1HD   ARG  72          2HD       ARG  72  -6.923  -2.299 -10.673
  616   2HD   ARG  72          1HD       ARG  72  -7.085  -4.052 -10.758
  617    HE   ARG  72           HE       ARG  72  -9.470  -3.173 -11.675
  618   1HH1  ARG  72          1HH1      ARG  72  -6.169  -2.420 -12.521
  619   2HH1  ARG  72          2HH1      ARG  72  -6.541  -2.070 -14.175
  620   1HH2  ARG  72          1HH2      ARG  72  -9.961  -2.714 -13.852
  621   2HH2  ARG  72          2HH2      ARG  72  -8.693  -2.236 -14.931
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1  14.752   3.985  17.357
    2   2H    MET   1          2HT       MET   1  13.738   2.629  17.084
    3   3H    MET   1          3HT       MET   1  13.063   4.112  17.616
    4    HA   MET   1           HA       MET   1  14.020   5.087  15.525
    5   1HB   MET   1          2HB       MET   1  14.418   3.528  13.731
    6   2HB   MET   1          1HB       MET   1  15.429   3.072  15.094
    7   1HG   MET   1          2HG       MET   1  13.132   1.609  15.497
    8   2HG   MET   1          1HG       MET   1  13.330   1.587  13.745
    9   1HE   MET   1          1HE       MET   1  16.205  -0.493  12.958
   10   2HE   MET   1          2HE       MET   1  14.954   0.656  12.481
   11   3HE   MET   1          3HE       MET   1  14.505  -0.961  13.026
   12    H    SER   2           H        SER   2  11.772   2.630  16.566
   13    HA   SER   2           HA       SER   2   9.823   3.012  14.547
   14   1HB   SER   2          2HB       SER   2   9.079   2.159  17.323
   15   2HB   SER   2          1HB       SER   2   8.476   1.569  15.775
   16    HG   SER   2           HG       SER   2  10.167   0.332  17.166
   17    H    GLU   3           H        GLU   3   9.757   5.334  14.392
   18    HA   GLU   3           HA       GLU   3   7.553   6.483  15.651
   19   1HB   GLU   3          2HB       GLU   3   8.845   6.580  17.675
   20   2HB   GLU   3          1HB       GLU   3  10.215   7.289  16.832
   21   1HG   GLU   3          2HG       GLU   3   9.420   9.347  17.078
   22   2HG   GLU   3          1HG       GLU   3   7.816   8.878  16.517
   23    H    LYS   4           H        LYS   4  10.309   8.600  15.376
   24    HA   LYS   4           HA       LYS   4  10.750  10.310  13.937
   25   1HB   LYS   4          2HB       LYS   4   9.843   8.545  11.684
   26   2HB   LYS   4          1HB       LYS   4  11.176   9.689  11.722
   27   1HG   LYS   4          2HG       LYS   4  11.171   7.179  13.367
   28   2HG   LYS   4          1HG       LYS   4  11.777   7.233  11.711
   29   1HD   LYS   4          2HD       LYS   4  13.722   8.031  12.433
   30   2HD   LYS   4          1HD       LYS   4  12.902   9.418  13.151
   31   1HE   LYS   4          2HE       LYS   4  12.351   7.479  14.970
   32   2HE   LYS   4          1HE       LYS   4  13.942   6.972  14.406
   33   1HZ   LYS   4          1HZ       LYS   4  14.892   8.986  15.081
   34   2HZ   LYS   4          2HZ       LYS   4  13.871   8.555  16.358
   35   3HZ   LYS   4          3HZ       LYS   4  13.394   9.751  15.261
   36    HA   PRO   5           HA       PRO   5   7.225  12.650  12.702
   37   1HB   PRO   5          2HB       PRO   5   8.161  13.000   9.920
   38   2HB   PRO   5          1HB       PRO   5   7.873  14.214  11.170
   39   1HG   PRO   5          2HG       PRO   5  10.355  13.559  10.415
   40   2HG   PRO   5          1HG       PRO   5   9.971  13.943  12.103
   41   1HD   PRO   5          2HD       PRO   5  10.375  11.270  10.812
   42   2HD   PRO   5          1HD       PRO   5  10.931  11.852  12.396
   43    H    LEU   6           H        LEU   6   6.131  10.431  12.771
   44    HA   LEU   6           HA       LEU   6   4.529   9.032  11.977
   45   1HB   LEU   6          2HB       LEU   6   4.365  11.226   9.924
   46   2HB   LEU   6          1HB       LEU   6   3.311   9.826   9.876
   47    HG   LEU   6           HG       LEU   6   2.212  11.741  10.925
   48   1HD1  LEU   6          1HD1      LEU   6   1.313  10.606  12.789
   49   2HD1  LEU   6          2HD1      LEU   6   2.795   9.685  13.039
   50   3HD1  LEU   6          3HD1      LEU   6   1.778   9.354  11.637
   51   1HD2  LEU   6          1HD2      LEU   6   4.598  12.408  11.941
   52   2HD2  LEU   6          2HD2      LEU   6   3.905  11.590  13.342
   53   3HD2  LEU   6          3HD2      LEU   6   3.070  12.966  12.622
   54    H    THR   7           H        THR   7   6.117   7.398  11.614
   55    HA   THR   7           HA       THR   7   7.249   7.119   8.963
   56    HB   THR   7           HB       THR   7   7.943   4.819  10.074
   57    HG1  THR   7           1HG      THR   7   7.619   6.411  12.383
   58   1HG2  THR   7          1HG2      THR   7   9.114   7.450  10.115
   59   2HG2  THR   7          2HG2      THR   7   9.880   5.875   9.916
   60   3HG2  THR   7          3HG2      THR   7   9.581   6.512  11.533
   61    H    LYS   8           H        LYS   8   7.160   4.660   8.174
   62    HA   LYS   8           HA       LYS   8   4.678   4.243   7.044
   63   1HB   LYS   8          2HB       LYS   8   5.512   1.809   6.791
   64   2HB   LYS   8          1HB       LYS   8   6.425   3.097   6.018
   65   1HG   LYS   8          2HG       LYS   8   7.320   2.526   8.732
   66   2HG   LYS   8          1HG       LYS   8   7.454   1.145   7.642
   67   1HD   LYS   8          2HD       LYS   8   9.153   2.070   6.513
   68   2HD   LYS   8          1HD       LYS   8   8.353   3.641   6.433
   69   1HE   LYS   8          2HE       LYS   8   9.974   4.314   7.827
   70   2HE   LYS   8          1HE       LYS   8   9.032   3.493   9.071
   71   1HZ   LYS   8          1HZ       LYS   8  11.537   2.702   7.812
   72   2HZ   LYS   8          2HZ       LYS   8  10.446   1.458   8.165
   73   3HZ   LYS   8          3HZ       LYS   8  11.002   2.470   9.401
   74    H    THR   9           H        THR   9   5.887   3.165  10.144
   75    HA   THR   9           HA       THR   9   3.688   1.374  10.630
   76    HB   THR   9           HB       THR   9   4.728   1.686  13.075
   77    HG1  THR   9           1HG      THR   9   6.925   2.166  12.904
   78   1HG2  THR   9          1HG2      THR   9   4.803  -0.433  12.005
   79   2HG2  THR   9          2HG2      THR   9   6.441  -0.032  12.521
   80   3HG2  THR   9          3HG2      THR   9   5.983   0.140  10.827
   81    H    ASP  10           H        ASP  10   4.531   4.684  11.463
   82    HA   ASP  10           HA       ASP  10   2.602   5.159  13.427
   83   1HB   ASP  10          2HB       ASP  10   4.041   6.928  11.476
   84   2HB   ASP  10          1HB       ASP  10   2.784   7.592  12.515
   85    H    TYR  11           H        TYR  11   2.420   5.718   9.913
   86    HA   TYR  11           HA       TYR  11  -0.285   6.589   9.966
   87   1HB   TYR  11          2HB       TYR  11   1.768   6.085   7.954
   88   2HB   TYR  11          1HB       TYR  11   0.157   5.649   7.398
   89    HD1  TYR  11           1HD      TYR  11  -0.363   7.329   5.858
   90    HD2  TYR  11           2HD      TYR  11   1.144   8.415   9.685
   91    HE1  TYR  11           1HE      TYR  11  -0.838   9.691   5.368
   92    HE2  TYR  11           2HE      TYR  11   0.674  10.780   9.206
   93    HH   TYR  11           HH       TYR  11  -0.204  11.879   6.057
   94    H    LEU  12           H        LEU  12   1.220   3.525   8.951
   95    HA   LEU  12           HA       LEU  12  -1.107   2.143   8.314
   96   1HB   LEU  12          2HB       LEU  12   1.370   1.484   8.003
   97   2HB   LEU  12          1HB       LEU  12   1.244   0.806   9.615
   98    HG   LEU  12           HG       LEU  12  -0.613   0.007   7.382
   99   1HD1  LEU  12          1HD1      LEU  12   0.817  -1.572   6.619
  100   2HD1  LEU  12          2HD1      LEU  12   1.603  -1.777   8.184
  101   3HD1  LEU  12          3HD1      LEU  12   2.016  -0.399   7.164
  102   1HD2  LEU  12          1HD2      LEU  12  -0.447  -2.104   9.019
  103   2HD2  LEU  12          2HD2      LEU  12  -1.628  -0.811   9.231
  104   3HD2  LEU  12          3HD2      LEU  12  -0.142  -0.815  10.182
  105    H    MET  13           H        MET  13   0.499   2.531  11.439
  106    HA   MET  13           HA       MET  13  -1.161   0.737  12.865
  107   1HB   MET  13          2HB       MET  13   0.612   3.020  13.706
  108   2HB   MET  13          1HB       MET  13  -0.344   2.121  14.875
  109   1HG   MET  13          2HG       MET  13   1.316   0.522  13.034
  110   2HG   MET  13          1HG       MET  13   2.173   1.496  14.228
  111   1HE   MET  13          1HE       MET  13  -0.477  -1.305  13.631
  112   2HE   MET  13          2HE       MET  13  -1.394  -0.175  14.628
  113   3HE   MET  13          3HE       MET  13  -0.936  -1.751  15.275
  114    H    ARG  14           H        ARG  14  -1.306   4.233  12.327
  115    HA   ARG  14           HA       ARG  14  -3.651   4.583  13.936
  116   1HB   ARG  14          2HB       ARG  14  -2.027   6.319  12.124
  117   2HB   ARG  14          1HB       ARG  14  -3.642   6.845  12.579
  118   1HG   ARG  14          2HG       ARG  14  -2.945   6.525  14.979
  119   2HG   ARG  14          1HG       ARG  14  -1.298   6.315  14.381
  120   1HD   ARG  14          2HD       ARG  14  -1.741   8.562  13.154
  121   2HD   ARG  14          1HD       ARG  14  -3.039   8.747  14.332
  122    HE   ARG  14           HE       ARG  14  -0.873   8.139  15.850
  123   1HH1  ARG  14          1HH1      ARG  14  -1.520  10.563  13.425
  124   2HH1  ARG  14          2HH1      ARG  14  -0.444  11.727  14.123
  125   1HH2  ARG  14          1HH2      ARG  14   0.543   9.668  16.769
  126   2HH2  ARG  14          2HH2      ARG  14   0.728  11.219  16.021
  127    H    LEU  15           H        LEU  15  -2.998   3.859  10.600
  128    HA   LEU  15           HA       LEU  15  -5.409   4.651   9.429
  129   1HB   LEU  15          2HB       LEU  15  -3.129   3.035   8.716
  130   2HB   LEU  15          1HB       LEU  15  -4.604   2.285   8.137
  131    HG   LEU  15           HG       LEU  15  -4.178   5.188   7.597
  132   1HD1  LEU  15          1HD1      LEU  15  -2.837   4.789   5.688
  133   2HD1  LEU  15          2HD1      LEU  15  -2.993   3.040   5.857
  134   3HD1  LEU  15          3HD1      LEU  15  -2.053   3.959   7.032
  135   1HD2  LEU  15          1HD2      LEU  15  -5.199   3.285   5.586
  136   2HD2  LEU  15          2HD2      LEU  15  -5.766   4.898   6.017
  137   3HD2  LEU  15          3HD2      LEU  15  -6.195   3.514   7.022
  138    H    ARG  16           H        ARG  16  -4.508   1.623  11.026
  139    HA   ARG  16           HA       ARG  16  -6.963   0.295  10.505
  140   1HB   ARG  16          2HB       ARG  16  -6.203  -1.284  12.277
  141   2HB   ARG  16          1HB       ARG  16  -5.008  -1.007  11.017
  142   1HG   ARG  16          2HG       ARG  16  -3.662   0.292  12.417
  143   2HG   ARG  16          1HG       ARG  16  -4.960   0.532  13.587
  144   1HD   ARG  16          2HD       ARG  16  -4.728  -2.190  13.539
  145   2HD   ARG  16          1HD       ARG  16  -3.057  -1.675  13.305
  146    HE   ARG  16           HE       ARG  16  -3.883  -0.163  15.389
  147   1HH1  ARG  16          1HH1      ARG  16  -3.968  -3.593  14.752
  148   2HH1  ARG  16          2HH1      ARG  16  -3.846  -4.033  16.423
  149   1HH2  ARG  16          1HH2      ARG  16  -3.721  -0.739  17.586
  150   2HH2  ARG  16          2HH2      ARG  16  -3.706  -2.413  18.031
  151    H    ARG  17           H        ARG  17  -5.993   2.651  12.823
  152    HA   ARG  17           HA       ARG  17  -7.691   2.123  14.957
  153   1HB   ARG  17          2HB       ARG  17  -5.909   4.111  14.309
  154   2HB   ARG  17          1HB       ARG  17  -7.443   4.970  14.298
  155   1HG   ARG  17          2HG       ARG  17  -7.829   4.577  16.547
  156   2HG   ARG  17          1HG       ARG  17  -6.719   3.205  16.599
  157   1HD   ARG  17          2HD       ARG  17  -4.859   4.541  16.750
  158   2HD   ARG  17          1HD       ARG  17  -5.635   5.898  15.935
  159    HE   ARG  17           HE       ARG  17  -6.913   5.465  18.393
  160   1HH1  ARG  17          1HH1      ARG  17  -3.855   6.578  17.134
  161   2HH1  ARG  17          2HH1      ARG  17  -3.530   7.606  18.488
  162   1HH2  ARG  17          1HH2      ARG  17  -6.486   6.816  20.177
  163   2HH2  ARG  17          2HH2      ARG  17  -5.022   7.740  20.217
  164    H    CYS  18           H        CYS  18  -8.436   3.248  11.781
  165    HA   CYS  18           HA       CYS  18 -10.744   4.701  12.095
  166   1HB   CYS  18          2HB       CYS  18 -11.387   3.962   9.873
  167   2HB   CYS  18          1HB       CYS  18  -9.650   4.241   9.922
  168    HG   CYS  18           HG       CYS  18 -10.529   1.902   8.748
  169    H    GLN  19           H        GLN  19 -13.006   3.863  11.439
  170    HA   GLN  19           HA       GLN  19 -13.646   1.643  13.247
  171   1HB   GLN  19          2HB       GLN  19 -14.710   4.150  13.134
  172   2HB   GLN  19          1HB       GLN  19 -15.856   3.252  12.147
  173   1HG   GLN  19          2HG       GLN  19 -16.837   2.922  14.146
  174   2HG   GLN  19          1HG       GLN  19 -15.698   1.579  14.214
  175   1HE2  GLN  19          1HE2      GLN  19 -13.531   2.172  15.173
  176   2HE2  GLN  19          2HE2      GLN  19 -13.555   3.176  16.579
  177    H    THR  20           H        THR  20 -14.050   2.787   9.955
  178    HA   THR  20           HA       THR  20 -14.677   0.083   9.109
  179    HB   THR  20           HB       THR  20 -16.878   1.137   9.590
  180    HG1  THR  20           1HG      THR  20 -16.395   0.670   6.838
  181   1HG2  THR  20          1HG2      THR  20 -15.807   3.247   7.869
  182   2HG2  THR  20          2HG2      THR  20 -17.058   3.311   9.109
  183   3HG2  THR  20          3HG2      THR  20 -17.451   2.735   7.489
  184    H    ILE  21           H        ILE  21 -14.557  -0.180   6.763
  185    HA   ILE  21           HA       ILE  21 -12.353   1.286   5.684
  186    HB   ILE  21           HB       ILE  21 -14.134  -0.731   4.313
  187   1HG1  ILE  21          2HG1      ILE  21 -13.138  -1.738   6.269
  188   2HG1  ILE  21          1HG1      ILE  21 -12.292  -2.329   4.842
  189   1HG2  ILE  21          1HG2      ILE  21 -12.256  -1.025   2.778
  190   2HG2  ILE  21          2HG2      ILE  21 -11.368   0.248   3.617
  191   3HG2  ILE  21          3HG2      ILE  21 -12.857   0.633   2.753
  192   1HD1  ILE  21          1HD1      ILE  21 -10.790  -1.799   6.713
  193   2HD1  ILE  21          2HD1      ILE  21 -11.310  -0.116   6.626
  194   3HD1  ILE  21          3HD1      ILE  21 -10.448  -0.845   5.270
  195    H    ASP  22           H        ASP  22 -15.822   1.177   5.037
  196    HA   ASP  22           HA       ASP  22 -15.939   2.627   2.687
  197   1HB   ASP  22          2HB       ASP  22 -17.801   2.088   4.921
  198   2HB   ASP  22          1HB       ASP  22 -18.199   3.474   3.909
  199    H    THR  23           H        THR  23 -16.089   3.912   6.017
  200    HA   THR  23           HA       THR  23 -16.159   6.625   5.164
  201    HB   THR  23           HB       THR  23 -16.029   5.166   7.726
  202    HG1  THR  23           1HG      THR  23 -17.367   7.456   6.748
  203   1HG2  THR  23          1HG2      THR  23 -15.492   7.152   9.049
  204   2HG2  THR  23          2HG2      THR  23 -15.019   7.995   7.574
  205   3HG2  THR  23          3HG2      THR  23 -14.113   6.580   8.111
  206    H    LEU  24           H        LEU  24 -13.611   4.350   5.851
  207    HA   LEU  24           HA       LEU  24 -11.534   6.307   6.086
  208   1HB   LEU  24          2HB       LEU  24 -11.515   3.918   6.988
  209   2HB   LEU  24          1HB       LEU  24 -11.166   3.411   5.347
  210    HG   LEU  24           HG       LEU  24  -9.440   5.315   6.931
  211   1HD1  LEU  24          1HD1      LEU  24  -9.655   2.431   7.017
  212   2HD1  LEU  24          2HD1      LEU  24  -8.723   3.527   8.038
  213   3HD1  LEU  24          3HD1      LEU  24  -8.046   2.952   6.514
  214   1HD2  LEU  24          1HD2      LEU  24  -8.756   5.775   4.829
  215   2HD2  LEU  24          2HD2      LEU  24  -9.403   4.272   4.173
  216   3HD2  LEU  24          3HD2      LEU  24  -7.857   4.270   5.021
  217    H    GLU  25           H        GLU  25 -12.886   4.380   3.460
  218    HA   GLU  25           HA       GLU  25 -10.906   4.806   1.539
  219   1HB   GLU  25          2HB       GLU  25 -13.018   3.319   1.435
  220   2HB   GLU  25          1HB       GLU  25 -13.839   4.763   0.858
  221   1HG   GLU  25          2HG       GLU  25 -11.329   4.051  -0.516
  222   2HG   GLU  25          1HG       GLU  25 -12.693   2.962  -0.755
  223    H    ARG  26           H        ARG  26 -13.475   6.866   2.695
  224    HA   ARG  26           HA       ARG  26 -13.387   8.809   0.650
  225   1HB   ARG  26          2HB       ARG  26 -15.254   8.689   2.208
  226   2HB   ARG  26          1HB       ARG  26 -14.187   9.050   3.557
  227   1HG   ARG  26          2HG       ARG  26 -13.725  11.262   2.529
  228   2HG   ARG  26          1HG       ARG  26 -14.929  10.890   1.292
  229   1HD   ARG  26          2HD       ARG  26 -16.363  10.374   3.508
  230   2HD   ARG  26          1HD       ARG  26 -15.278  11.615   4.134
  231    HE   ARG  26           HE       ARG  26 -17.432  11.977   2.274
  232   1HH1  ARG  26          1HH1      ARG  26 -14.376  13.254   3.373
  233   2HH1  ARG  26          2HH1      ARG  26 -14.714  14.866   2.835
  234   1HH2  ARG  26          1HH2      ARG  26 -17.879  14.095   1.567
  235   2HH2  ARG  26          2HH2      ARG  26 -16.702  15.343   1.810
  236    H    VAL  27           H        VAL  27 -11.495   8.283   3.559
  237    HA   VAL  27           HA       VAL  27 -10.155  10.821   3.343
  238    HB   VAL  27           HB       VAL  27 -10.563   9.657   5.540
  239   1HG1  VAL  27          1HG1      VAL  27  -9.948   7.507   5.611
  240   2HG1  VAL  27          2HG1      VAL  27  -8.338   8.146   5.937
  241   3HG1  VAL  27          3HG1      VAL  27  -8.789   7.686   4.297
  242   1HG2  VAL  27          1HG2      VAL  27  -9.168  11.391   5.895
  243   2HG2  VAL  27          2HG2      VAL  27  -8.061  10.902   4.612
  244   3HG2  VAL  27          3HG2      VAL  27  -7.994  10.106   6.184
  245    H    ILE  28           H        ILE  28  -9.644   7.583   2.205
  246    HA   ILE  28           HA       ILE  28  -6.880   7.647   1.753
  247    HB   ILE  28           HB       ILE  28  -8.931   6.291  -0.005
  248   1HG1  ILE  28          2HG1      ILE  28  -7.566   5.315   2.513
  249   2HG1  ILE  28          1HG1      ILE  28  -9.284   5.625   2.303
  250   1HG2  ILE  28          1HG2      ILE  28  -7.248   5.233  -1.045
  251   2HG2  ILE  28          2HG2      ILE  28  -6.319   5.037   0.440
  252   3HG2  ILE  28          3HG2      ILE  28  -6.259   6.563  -0.441
  253   1HD1  ILE  28          1HD1      ILE  28  -7.669   3.309   1.505
  254   2HD1  ILE  28          2HD1      ILE  28  -8.887   3.833   0.341
  255   3HD1  ILE  28          3HD1      ILE  28  -9.363   3.408   1.985
  256    H    GLU  29           H        GLU  29  -9.594   8.809  -0.173
  257    HA   GLU  29           HA       GLU  29  -7.980   9.606  -2.400
  258   1HB   GLU  29          2HB       GLU  29 -10.830   9.781  -1.631
  259   2HB   GLU  29          1HB       GLU  29 -10.256  11.044  -2.712
  260   1HG   GLU  29          2HG       GLU  29  -9.341   9.192  -4.171
  261   2HG   GLU  29          1HG       GLU  29 -10.273   8.079  -3.169
  262    H    LYS  30           H        LYS  30  -9.414  11.262   0.382
  263    HA   LYS  30           HA       LYS  30  -8.621  13.872  -0.400
  264   1HB   LYS  30          2HB       LYS  30 -10.269  12.875   1.519
  265   2HB   LYS  30          1HB       LYS  30  -8.879  13.337   2.490
  266   1HG   LYS  30          2HG       LYS  30  -9.187  15.557   2.129
  267   2HG   LYS  30          1HG       LYS  30  -9.881  15.313   0.526
  268   1HD   LYS  30          2HD       LYS  30 -11.771  15.919   1.649
  269   2HD   LYS  30          1HD       LYS  30 -11.813  14.181   1.951
  270   1HE   LYS  30          2HE       LYS  30 -10.773  14.503   4.118
  271   2HE   LYS  30          1HE       LYS  30 -10.615  16.232   3.811
  272   1HZ   LYS  30          1HZ       LYS  30 -12.516  16.164   5.057
  273   2HZ   LYS  30          2HZ       LYS  30 -13.019  14.670   4.443
  274   3HZ   LYS  30          3HZ       LYS  30 -13.182  16.066   3.504
  275    H    ASN  31           H        ASN  31  -7.202  11.519   1.864
  276    HA   ASN  31           HA       ASN  31  -5.018  13.141   2.619
  277   1HB   ASN  31          2HB       ASN  31  -5.746  10.277   2.909
  278   2HB   ASN  31          1HB       ASN  31  -4.043  10.685   3.087
  279   1HD2  ASN  31          1HD2      ASN  31  -3.683  10.572   5.195
  280   2HD2  ASN  31          2HD2      ASN  31  -4.578  11.409   6.411
  281    H    LYS  32           H        LYS  32  -5.545  10.949  -0.049
  282    HA   LYS  32           HA       LYS  32  -2.901  10.545  -0.861
  283   1HB   LYS  32          2HB       LYS  32  -5.567  10.224  -2.028
  284   2HB   LYS  32          1HB       LYS  32  -4.328  10.589  -3.222
  285   1HG   LYS  32          2HG       LYS  32  -3.107   8.672  -1.712
  286   2HG   LYS  32          1HG       LYS  32  -4.794   8.155  -1.677
  287   1HD   LYS  32          2HD       LYS  32  -3.790   8.998  -4.312
  288   2HD   LYS  32          1HD       LYS  32  -3.048   7.538  -3.654
  289   1HE   LYS  32          2HE       LYS  32  -5.008   6.354  -3.706
  290   2HE   LYS  32          1HE       LYS  32  -6.009   7.795  -3.543
  291   1HZ   LYS  32          1HZ       LYS  32  -6.370   7.400  -5.717
  292   2HZ   LYS  32          2HZ       LYS  32  -4.925   6.550  -5.935
  293   3HZ   LYS  32          3HZ       LYS  32  -4.915   8.241  -5.916
  294    H    TYR  33           H        TYR  33  -5.222  13.058  -1.846
  295    HA   TYR  33           HA       TYR  33  -3.180  14.411  -3.399
  296   1HB   TYR  33          2HB       TYR  33  -6.026  14.336  -3.399
  297   2HB   TYR  33          1HB       TYR  33  -5.533  16.006  -3.137
  298    HD1  TYR  33           1HD      TYR  33  -3.511  16.754  -4.752
  299    HD2  TYR  33           2HD      TYR  33  -6.322  13.671  -5.582
  300    HE1  TYR  33           1HE      TYR  33  -3.064  17.003  -7.157
  301    HE2  TYR  33           2HE      TYR  33  -5.882  13.910  -7.990
  302    HH   TYR  33           HH       TYR  33  -3.256  15.520  -9.227
  303    H    GLU  34           H        GLU  34  -3.892  14.326  -0.176
  304    HA   GLU  34           HA       GLU  34  -3.669  17.134   0.407
  305   1HB   GLU  34          2HB       GLU  34  -4.054  14.649   1.938
  306   2HB   GLU  34          1HB       GLU  34  -3.147  15.897   2.778
  307   1HG   GLU  34          2HG       GLU  34  -5.168  17.386   1.874
  308   2HG   GLU  34          1HG       GLU  34  -5.988  15.828   1.973
  309    H    LEU  35           H        LEU  35  -1.648  14.540   1.747
  310    HA   LEU  35           HA       LEU  35   0.578  16.173   2.161
  311   1HB   LEU  35          2HB       LEU  35   1.781  14.249   2.729
  312   2HB   LEU  35          1HB       LEU  35   0.151  13.939   3.226
  313    HG   LEU  35           HG       LEU  35   1.829  12.489   1.330
  314   1HD1  LEU  35          1HD1      LEU  35  -0.497  11.076   2.045
  315   2HD1  LEU  35          2HD1      LEU  35   0.005  12.002   3.457
  316   3HD1  LEU  35          3HD1      LEU  35   1.133  10.898   2.682
  317   1HD2  LEU  35          1HD2      LEU  35  -0.914  13.324   0.511
  318   2HD2  LEU  35          2HD2      LEU  35  -0.320  11.720   0.102
  319   3HD2  LEU  35          3HD2      LEU  35   0.545  13.147  -0.461
  320    H    SER  36           H        SER  36   2.680  14.571   1.102
  321    HA   SER  36           HA       SER  36   2.546  15.322  -1.745
  322   1HB   SER  36          2HB       SER  36   4.966  15.377   0.078
  323   2HB   SER  36          1HB       SER  36   4.960  15.791  -1.635
  324    HG   SER  36           HG       SER  36   3.806  17.597  -1.209
  325    H    ASP  37           H        ASP  37   4.610  14.146  -2.840
  326    HA   ASP  37           HA       ASP  37   3.932  11.427  -2.966
  327   1HB   ASP  37          2HB       ASP  37   5.126  12.809  -4.736
  328   2HB   ASP  37          1HB       ASP  37   6.596  12.585  -3.793
  329    H    ASN  38           H        ASN  38   6.098  13.177  -0.902
  330    HA   ASN  38           HA       ASN  38   7.689  10.953  -0.106
  331   1HB   ASN  38          2HB       ASN  38   8.120  13.548   0.091
  332   2HB   ASN  38          1HB       ASN  38   7.347  13.335   1.659
  333   1HD2  ASN  38          1HD2      ASN  38   8.364  12.113   3.236
  334   2HD2  ASN  38          2HD2      ASN  38  10.033  11.677   3.133
  335    H    GLU  39           H        GLU  39   4.940  12.652   1.423
  336    HA   GLU  39           HA       GLU  39   4.895  10.803   3.623
  337   1HB   GLU  39          2HB       GLU  39   4.213  13.065   4.030
  338   2HB   GLU  39          1HB       GLU  39   3.048  13.004   2.720
  339   1HG   GLU  39          2HG       GLU  39   1.569  12.648   4.344
  340   2HG   GLU  39          1HG       GLU  39   2.157  10.988   4.293
  341    H    LEU  40           H        LEU  40   3.215  11.254   0.587
  342    HA   LEU  40           HA       LEU  40   1.054   9.539   0.960
  343   1HB   LEU  40          2HB       LEU  40   1.268  11.069  -0.915
  344   2HB   LEU  40          1HB       LEU  40   2.583  10.119  -1.571
  345    HG   LEU  40           HG       LEU  40   0.041   8.675  -1.125
  346   1HD1  LEU  40          1HD1      LEU  40  -0.947   9.534  -3.194
  347   2HD1  LEU  40          2HD1      LEU  40   0.346  10.729  -3.310
  348   3HD1  LEU  40          3HD1      LEU  40  -0.798  10.796  -1.970
  349   1HD2  LEU  40          1HD2      LEU  40   0.724   7.433  -2.958
  350   2HD2  LEU  40          2HD2      LEU  40   2.254   7.866  -2.197
  351   3HD2  LEU  40          3HD2      LEU  40   1.695   8.750  -3.617
  352    H    ALA  41           H        ALA  41   4.394   8.829   0.097
  353    HA   ALA  41           HA       ALA  41   4.081   6.197  -0.780
  354   1HB   ALA  41          1HB       ALA  41   6.342   6.077  -0.710
  355   2HB   ALA  41          2HB       ALA  41   6.432   6.722   0.929
  356   3HB   ALA  41          3HB       ALA  41   6.217   7.815  -0.438
  357    H    VAL  42           H        VAL  42   4.127   7.604   2.411
  358    HA   VAL  42           HA       VAL  42   4.146   5.107   3.826
  359    HB   VAL  42           HB       VAL  42   3.427   7.881   4.792
  360   1HG1  VAL  42          1HG1      VAL  42   2.912   6.996   6.756
  361   2HG1  VAL  42          2HG1      VAL  42   4.462   6.161   6.829
  362   3HG1  VAL  42          3HG1      VAL  42   3.079   5.386   6.054
  363   1HG2  VAL  42          1HG2      VAL  42   5.982   6.631   5.565
  364   2HG2  VAL  42          2HG2      VAL  42   5.609   8.311   5.173
  365   3HG2  VAL  42          3HG2      VAL  42   5.846   7.134   3.879
  366    H    PHE  43           H        PHE  43   1.734   7.374   2.618
  367    HA   PHE  43           HA       PHE  43  -0.452   6.184   4.048
  368   1HB   PHE  43          2HB       PHE  43  -0.342   8.571   3.194
  369   2HB   PHE  43          1HB       PHE  43  -0.635   7.918   1.586
  370    HD1  PHE  43           1HD      PHE  43  -2.759   8.580   0.984
  371    HD2  PHE  43           2HD      PHE  43  -2.105   6.997   4.879
  372    HE1  PHE  43           1HE      PHE  43  -5.182   8.627   1.405
  373    HE2  PHE  43           2HE      PHE  43  -4.528   7.040   5.308
  374    HZ   PHE  43           HZ       PHE  43  -6.069   7.855   3.568
  375    H    TYR  44           H        TYR  44   0.657   6.075   0.674
  376    HA   TYR  44           HA       TYR  44  -1.358   4.394  -0.303
  377   1HB   TYR  44          2HB       TYR  44   0.654   5.758  -1.454
  378   2HB   TYR  44          1HB       TYR  44   1.350   4.142  -1.487
  379    HD1  TYR  44           1HD      TYR  44   0.973   2.887  -3.379
  380    HD2  TYR  44           2HD      TYR  44  -1.916   5.801  -2.257
  381    HE1  TYR  44           1HE      TYR  44  -0.333   2.357  -5.394
  382    HE2  TYR  44           2HE      TYR  44  -3.232   5.279  -4.269
  383    HH   TYR  44           HH       TYR  44  -2.553   4.229  -6.692
  384    H    SER  45           H        SER  45   1.900   3.594   0.886
  385    HA   SER  45           HA       SER  45   1.641   0.807   0.478
  386   1HB   SER  45          2HB       SER  45   3.698   0.592   1.679
  387   2HB   SER  45          1HB       SER  45   3.804   2.083   0.745
  388    HG   SER  45           HG       SER  45   3.777   1.707   3.464
  389    H    ALA  46           H        ALA  46   0.971   2.898   3.233
  390    HA   ALA  46           HA       ALA  46   0.473   0.727   5.036
  391   1HB   ALA  46          1HB       ALA  46  -0.085   3.677   5.230
  392   2HB   ALA  46          2HB       ALA  46   1.247   2.782   5.961
  393   3HB   ALA  46          3HB       ALA  46  -0.403   2.527   6.528
  394    H    ALA  47           H        ALA  47  -1.537   2.892   3.105
  395    HA   ALA  47           HA       ALA  47  -4.004   1.887   4.155
  396   1HB   ALA  47          1HB       ALA  47  -3.485   4.185   3.052
  397   2HB   ALA  47          2HB       ALA  47  -5.060   3.430   2.810
  398   3HB   ALA  47          3HB       ALA  47  -3.833   3.331   1.549
  399    H    ASP  48           H        ASP  48  -2.022   1.178   1.332
  400    HA   ASP  48           HA       ASP  48  -3.984  -0.404   0.012
  401   1HB   ASP  48          2HB       ASP  48  -1.006  -0.081  -0.305
  402   2HB   ASP  48          1HB       ASP  48  -1.908  -1.249  -1.258
  403    H    HIS  49           H        HIS  49  -1.089  -1.270   1.932
  404    HA   HIS  49           HA       HIS  49  -1.352  -4.039   1.769
  405   1HB   HIS  49          2HB       HIS  49   0.043  -2.140   3.513
  406   2HB   HIS  49          1HB       HIS  49  -0.398  -3.635   4.334
  407    HD1  HIS  49           1HD      HIS  49   1.025  -2.938   0.864
  408    HD2  HIS  49           2HD      HIS  49   1.739  -5.272   4.226
  409    HE1  HIS  49           1HE      HIS  49   3.030  -4.345   0.293
  410    HE2  HIS  49           2HE      HIS  49   3.492  -5.691   2.371
  411    H    ARG  50           H        ARG  50  -2.763  -1.760   4.075
  412    HA   ARG  50           HA       ARG  50  -4.132  -3.657   5.663
  413   1HB   ARG  50          2HB       ARG  50  -3.692  -1.015   5.879
  414   2HB   ARG  50          1HB       ARG  50  -5.323  -0.970   5.221
  415   1HG   ARG  50          2HG       ARG  50  -5.863  -1.024   7.414
  416   2HG   ARG  50          1HG       ARG  50  -5.708  -2.763   7.161
  417   1HD   ARG  50          2HD       ARG  50  -3.162  -1.512   7.780
  418   2HD   ARG  50          1HD       ARG  50  -4.361  -1.239   9.043
  419    HE   ARG  50           HE       ARG  50  -3.020  -3.670   8.482
  420   1HH1  ARG  50          1HH1      ARG  50  -6.118  -2.412   9.480
  421   2HH1  ARG  50          2HH1      ARG  50  -6.562  -3.844  10.346
  422   1HH2  ARG  50          1HH2      ARG  50  -3.603  -5.556   9.620
  423   2HH2  ARG  50          2HH2      ARG  50  -5.134  -5.629  10.424
  424    H    LEU  51           H        LEU  51  -5.092  -1.646   2.942
  425    HA   LEU  51           HA       LEU  51  -7.754  -2.475   2.721
  426   1HB   LEU  51          2HB       LEU  51  -7.246  -0.538   1.552
  427   2HB   LEU  51          1HB       LEU  51  -5.738  -1.178   0.948
  428    HG   LEU  51           HG       LEU  51  -7.573  -0.767  -0.752
  429   1HD1  LEU  51          1HD1      LEU  51  -5.552  -2.648  -0.569
  430   2HD1  LEU  51          2HD1      LEU  51  -6.395  -2.139  -2.036
  431   3HD1  LEU  51          3HD1      LEU  51  -6.945  -3.561  -1.150
  432   1HD2  LEU  51          1HD2      LEU  51  -9.546  -1.769  -0.556
  433   2HD2  LEU  51          2HD2      LEU  51  -9.040  -2.395   1.012
  434   3HD2  LEU  51          3HD2      LEU  51  -8.778  -3.352  -0.446
  435    H    ALA  52           H        ALA  52  -4.756  -3.836   1.527
  436    HA   ALA  52           HA       ALA  52  -5.815  -5.646  -0.343
  437   1HB   ALA  52          1HB       ALA  52  -3.297  -4.913   0.506
  438   2HB   ALA  52          2HB       ALA  52  -3.676  -6.138  -0.704
  439   3HB   ALA  52          3HB       ALA  52  -3.416  -6.608   0.976
  440    H    GLU  53           H        GLU  53  -4.856  -6.188   3.060
  441    HA   GLU  53           HA       GLU  53  -5.542  -8.887   3.166
  442   1HB   GLU  53          2HB       GLU  53  -5.892  -8.416   5.674
  443   2HB   GLU  53          1HB       GLU  53  -4.296  -8.153   4.991
  444   1HG   GLU  53          2HG       GLU  53  -4.761  -5.753   4.850
  445   2HG   GLU  53          1HG       GLU  53  -6.355  -6.029   5.552
  446    H    LEU  54           H        LEU  54  -7.525  -6.019   3.746
  447    HA   LEU  54           HA       LEU  54  -9.835  -7.303   4.650
  448   1HB   LEU  54          2HB       LEU  54  -9.356  -4.723   3.189
  449   2HB   LEU  54          1HB       LEU  54 -10.979  -5.245   3.591
  450    HG   LEU  54           HG       LEU  54  -9.075  -5.259   5.839
  451   1HD1  LEU  54          1HD1      LEU  54  -8.334  -3.247   4.689
  452   2HD1  LEU  54          2HD1      LEU  54  -9.203  -2.840   6.168
  453   3HD1  LEU  54          3HD1      LEU  54  -9.999  -2.670   4.603
  454   1HD2  LEU  54          1HD2      LEU  54 -11.455  -5.769   6.095
  455   2HD2  LEU  54          2HD2      LEU  54 -11.862  -4.165   5.486
  456   3HD2  LEU  54          3HD2      LEU  54 -10.996  -4.336   7.013
  457    H    THR  55           H        THR  55  -8.540  -6.862   1.436
  458    HA   THR  55           HA       THR  55 -10.942  -7.766   0.114
  459    HB   THR  55           HB       THR  55  -8.304  -7.667  -1.276
  460    HG1  THR  55           1HG      THR  55  -9.705  -5.435  -0.260
  461   1HG2  THR  55          1HG2      THR  55 -10.099  -8.149  -2.711
  462   2HG2  THR  55          2HG2      THR  55  -9.720  -6.445  -2.968
  463   3HG2  THR  55          3HG2      THR  55 -11.113  -6.901  -1.989
  464    H    MET  56           H        MET  56  -7.875  -9.110   1.139
  465    HA   MET  56           HA       MET  56  -8.466 -11.666  -0.153
  466   1HB   MET  56          2HB       MET  56  -6.145 -10.418  -0.021
  467   2HB   MET  56          1HB       MET  56  -6.054 -11.218   1.542
  468   1HG   MET  56          2HG       MET  56  -4.931 -12.521  -0.161
  469   2HG   MET  56          1HG       MET  56  -6.338 -13.384   0.460
  470   1HE   MET  56          1HE       MET  56  -6.377 -11.070  -3.508
  471   2HE   MET  56          2HE       MET  56  -5.465 -10.656  -2.056
  472   3HE   MET  56          3HE       MET  56  -7.212 -10.418  -2.098
  473    H    ASN  57           H        ASN  57  -9.739 -10.432   2.399
  474    HA   ASN  57           HA       ASN  57 -10.663 -11.244   4.298
  475   1HB   ASN  57          2HB       ASN  57 -10.005 -13.661   2.768
  476   2HB   ASN  57          1HB       ASN  57 -10.116 -13.926   4.506
  477   1HD2  ASN  57          1HD2      ASN  57 -12.080 -12.373   5.345
  478   2HD2  ASN  57          2HD2      ASN  57 -13.573 -12.753   4.564
  479    H    LYS  58           H        LYS  58  -8.803  -9.921   5.143
  480    HA   LYS  58           HA       LYS  58  -7.154  -9.572   6.665
  481   1HB   LYS  58          2HB       LYS  58  -8.383 -12.137   7.598
  482   2HB   LYS  58          1HB       LYS  58  -6.971 -11.493   8.422
  483   1HG   LYS  58          2HG       LYS  58  -9.226  -9.634   7.962
  484   2HG   LYS  58          1HG       LYS  58  -9.451 -10.907   9.162
  485   1HD   LYS  58          2HD       LYS  58  -8.596  -8.996  10.302
  486   2HD   LYS  58          1HD       LYS  58  -7.290 -10.179  10.207
  487   1HE   LYS  58          2HE       LYS  58  -6.486  -7.930   9.700
  488   2HE   LYS  58          1HE       LYS  58  -6.340  -8.991   8.299
  489   1HZ   LYS  58          1HZ       LYS  58  -7.253  -6.691   7.886
  490   2HZ   LYS  58          2HZ       LYS  58  -8.659  -7.189   8.684
  491   3HZ   LYS  58          3HZ       LYS  58  -8.168  -7.972   7.267
  492    H    LEU  59           H        LEU  59  -6.447 -10.953   4.145
  493    HA   LEU  59           HA       LEU  59  -4.016 -12.312   5.105
  494   1HB   LEU  59          2HB       LEU  59  -5.534 -13.853   3.956
  495   2HB   LEU  59          1HB       LEU  59  -5.521 -12.820   2.539
  496    HG   LEU  59           HG       LEU  59  -4.048 -14.924   2.518
  497   1HD1  LEU  59          1HD1      LEU  59  -2.127 -12.960   1.786
  498   2HD1  LEU  59          2HD1      LEU  59  -3.731 -12.344   1.392
  499   3HD1  LEU  59          3HD1      LEU  59  -3.202 -13.897   0.748
  500   1HD2  LEU  59          1HD2      LEU  59  -1.787 -14.574   3.467
  501   2HD2  LEU  59          2HD2      LEU  59  -3.044 -14.712   4.697
  502   3HD2  LEU  59          3HD2      LEU  59  -2.387 -13.128   4.282
  503    H    TYR  60           H        TYR  60  -2.229 -11.203   4.761
  504    HA   TYR  60           HA       TYR  60  -2.028  -9.558   2.332
  505   1HB   TYR  60          2HB       TYR  60  -1.144  -7.728   3.463
  506   2HB   TYR  60          1HB       TYR  60  -2.387  -8.288   4.573
  507    HD1  TYR  60           1HD      TYR  60  -1.831  -9.005   6.766
  508    HD2  TYR  60           2HD      TYR  60   1.249  -8.285   3.921
  509    HE1  TYR  60           1HE      TYR  60  -0.151  -9.167   8.555
  510    HE2  TYR  60           2HE      TYR  60   2.941  -8.447   5.703
  511    HH   TYR  60           HH       TYR  60   2.193  -9.607   8.846
  512    H    ASP  61           H        ASP  61   0.214  -9.106   1.681
  513    HA   ASP  61           HA       ASP  61   2.462  -9.595   1.461
  514   1HB   ASP  61          2HB       ASP  61   2.247 -10.536   3.905
  515   2HB   ASP  61          1HB       ASP  61   2.238 -12.099   3.092
  516    H    LYS  62           H        LYS  62  -0.219 -11.542   0.847
  517    HA   LYS  62           HA       LYS  62   1.250 -12.921  -1.290
  518   1HB   LYS  62          2HB       LYS  62   0.724 -14.474   0.599
  519   2HB   LYS  62          1HB       LYS  62  -0.983 -14.156   0.328
  520   1HG   LYS  62          2HG       LYS  62   0.264 -14.920  -2.136
  521   2HG   LYS  62          1HG       LYS  62   0.622 -16.110  -0.883
  522   1HD   LYS  62          2HD       LYS  62  -2.145 -15.095  -1.526
  523   2HD   LYS  62          1HD       LYS  62  -1.458 -16.586  -2.172
  524   1HE   LYS  62          2HE       LYS  62  -1.318 -17.556  -0.005
  525   2HE   LYS  62          1HE       LYS  62  -1.685 -16.019   0.775
  526   1HZ   LYS  62          1HZ       LYS  62  -3.624 -17.399   0.794
  527   2HZ   LYS  62          2HZ       LYS  62  -3.535 -17.651  -0.875
  528   3HZ   LYS  62          3HZ       LYS  62  -3.899 -16.114  -0.272
  529    H    ILE  63           H        ILE  63  -0.554 -10.483  -1.032
  530    HA   ILE  63           HA       ILE  63  -3.031 -11.003  -2.243
  531    HB   ILE  63           HB       ILE  63  -1.416  -8.467  -2.520
  532   1HG1  ILE  63          2HG1      ILE  63  -3.308  -8.087  -0.518
  533   2HG1  ILE  63          1HG1      ILE  63  -2.672  -9.695  -0.188
  534   1HG2  ILE  63          1HG2      ILE  63  -4.255  -9.219  -3.015
  535   2HG2  ILE  63          2HG2      ILE  63  -3.183  -8.176  -3.949
  536   3HG2  ILE  63          3HG2      ILE  63  -3.892  -7.590  -2.445
  537   1HD1  ILE  63          1HD1      ILE  63  -0.381  -8.705  -0.257
  538   2HD1  ILE  63          2HD1      ILE  63  -1.400  -8.130   1.063
  539   3HD1  ILE  63          3HD1      ILE  63  -1.139  -7.117  -0.358
  540    HA   PRO  64           HA       PRO  64  -1.393 -12.309  -6.253
  541   1HB   PRO  64          2HB       PRO  64  -4.287 -12.093  -6.907
  542   2HB   PRO  64          1HB       PRO  64  -3.165 -13.428  -7.194
  543   1HG   PRO  64          2HG       PRO  64  -4.981 -13.575  -5.252
  544   2HG   PRO  64          1HG       PRO  64  -3.345 -14.220  -5.021
  545   1HD   PRO  64          2HD       PRO  64  -4.550 -11.684  -3.991
  546   2HD   PRO  64          1HD       PRO  64  -3.412 -12.800  -3.199
  547    H    SER  65           H        SER  65  -1.543 -11.465  -8.472
  548    HA   SER  65           HA       SER  65  -1.464  -8.604  -8.478
  549   1HB   SER  65          2HB       SER  65  -0.914 -10.766 -10.462
  550   2HB   SER  65          1HB       SER  65  -1.206  -9.137 -11.069
  551    HG   SER  65           HG       SER  65   0.449  -8.489  -9.477
  552    H    SER  66           H        SER  66  -3.639 -11.061  -9.782
  553    HA   SER  66           HA       SER  66  -5.286  -9.366 -11.290
  554   1HB   SER  66          2HB       SER  66  -5.170 -12.036 -10.966
  555   2HB   SER  66          1HB       SER  66  -6.559 -11.682  -9.938
  556    HG   SER  66           HG       SER  66  -7.413 -11.948 -11.923
  557    H    VAL  67           H        VAL  67  -5.491 -10.397  -7.905
  558    HA   VAL  67           HA       VAL  67  -7.943  -9.116  -7.334
  559    HB   VAL  67           HB       VAL  67  -5.745  -9.626  -5.334
  560   1HG1  VAL  67          1HG1      VAL  67  -8.257  -8.482  -5.070
  561   2HG1  VAL  67          2HG1      VAL  67  -7.249  -9.119  -3.772
  562   3HG1  VAL  67          3HG1      VAL  67  -8.476 -10.142  -4.517
  563   1HG2  VAL  67          1HG2      VAL  67  -5.970 -11.829  -5.543
  564   2HG2  VAL  67          2HG2      VAL  67  -6.918 -11.545  -7.001
  565   3HG2  VAL  67          3HG2      VAL  67  -7.726 -11.713  -5.443
  566    H    TRP  68           H        TRP  68  -4.581  -8.128  -6.699
  567    HA   TRP  68           HA       TRP  68  -5.138  -5.659  -5.537
  568   1HB   TRP  68          2HB       TRP  68  -2.825  -7.064  -6.460
  569   2HB   TRP  68          1HB       TRP  68  -2.736  -5.404  -7.039
  570    HD1  TRP  68           HD       TRP  68  -1.147  -7.032  -4.500
  571    HE1  TRP  68           1HE      TRP  68  -0.947  -5.695  -2.314
  572    HE3  TRP  68           3HE      TRP  68  -4.797  -3.559  -5.335
  573    HZ2  TRP  68           2HZ      TRP  68  -2.179  -3.461  -1.098
  574    HZ3  TRP  68           3HZ      TRP  68  -5.224  -1.856  -3.615
  575    HH2  TRP  68           HH       TRP  68  -3.941  -1.808  -1.539
  576    H    LYS  69           H        LYS  69  -4.685  -6.525  -8.938
  577    HA   LYS  69           HA       LYS  69  -4.753  -3.930  -9.999
  578   1HB   LYS  69          2HB       LYS  69  -4.325  -6.352 -11.070
  579   2HB   LYS  69          1HB       LYS  69  -5.996  -6.124 -11.569
  580   1HG   LYS  69          2HG       LYS  69  -5.462  -4.182 -12.805
  581   2HG   LYS  69          1HG       LYS  69  -3.851  -4.087 -12.092
  582   1HD   LYS  69          2HD       LYS  69  -3.761  -6.559 -13.177
  583   2HD   LYS  69          1HD       LYS  69  -4.854  -5.755 -14.306
  584   1HE   LYS  69          2HE       LYS  69  -2.304  -4.426 -13.490
  585   2HE   LYS  69          1HE       LYS  69  -2.281  -5.693 -14.716
  586   1HZ   LYS  69          1HZ       LYS  69  -3.852  -4.424 -16.026
  587   2HZ   LYS  69          2HZ       LYS  69  -2.483  -3.487 -15.695
  588   3HZ   LYS  69          3HZ       LYS  69  -3.918  -3.217 -14.841
  589    H    PHE  70           H        PHE  70  -7.290  -6.070  -8.927
  590    HA   PHE  70           HA       PHE  70  -9.429  -4.605 -10.148
  591   1HB   PHE  70          2HB       PHE  70  -9.458  -7.064  -9.455
  592   2HB   PHE  70          1HB       PHE  70  -9.681  -6.488  -7.807
  593    HD1  PHE  70           1HD      PHE  70 -11.193  -6.688 -11.148
  594    HD2  PHE  70           2HD      PHE  70 -11.772  -5.610  -7.072
  595    HE1  PHE  70           1HE      PHE  70 -13.618  -6.530 -11.538
  596    HE2  PHE  70           2HE      PHE  70 -14.197  -5.452  -7.454
  597    HZ   PHE  70           HZ       PHE  70 -15.123  -5.913  -9.690
  598    H    ILE  71           H        ILE  71  -8.220  -4.898  -6.809
  599    HA   ILE  71           HA       ILE  71  -9.905  -2.661  -5.998
  600    HB   ILE  71           HB       ILE  71  -9.756  -4.653  -4.538
  601   1HG1  ILE  71          2HG1      ILE  71  -8.498  -2.669  -2.792
  602   2HG1  ILE  71          1HG1      ILE  71  -9.753  -1.986  -3.820
  603   1HG2  ILE  71          1HG2      ILE  71  -7.821  -5.352  -3.475
  604   2HG2  ILE  71          2HG2      ILE  71  -6.989  -3.822  -3.759
  605   3HG2  ILE  71          3HG2      ILE  71  -7.248  -4.947  -5.093
  606   1HD1  ILE  71          1HD1      ILE  71 -10.001  -4.171  -1.785
  607   2HD1  ILE  71          2HD1      ILE  71 -11.239  -3.867  -3.003
  608   3HD1  ILE  71          3HD1      ILE  71 -10.824  -2.613  -1.835
  609    H    ARG  72           H        ARG  72  -9.201  -0.640  -5.911
  610    HA   ARG  72           HA       ARG  72  -6.348  -0.118  -6.247
  611   1HB   ARG  72          2HB       ARG  72  -8.630   1.055  -7.316
  612   2HB   ARG  72          1HB       ARG  72  -8.071   2.227  -6.130
  613   1HG   ARG  72          2HG       ARG  72  -5.800   2.063  -7.207
  614   2HG   ARG  72          1HG       ARG  72  -6.573   1.137  -8.496
  615   1HD   ARG  72          2HD       ARG  72  -7.971   2.972  -9.083
  616   2HD   ARG  72          1HD       ARG  72  -7.493   3.874  -7.646
  617    HE   ARG  72           HE       ARG  72  -5.628   4.584  -8.760
  618   1HH1  ARG  72          1HH1      ARG  72  -6.966   1.842 -10.454
  619   2HH1  ARG  72          2HH1      ARG  72  -5.889   1.990 -11.803
  620   1HH2  ARG  72          1HH2      ARG  72  -4.211   4.781 -10.533
  621   2HH2  ARG  72          2HH2      ARG  72  -4.326   3.660 -11.847
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1  10.048   2.767  13.479
    2   2H    MET   1          2HT       MET   1   8.868   1.754  14.205
    3   3H    MET   1          3HT       MET   1  10.251   2.240  15.097
    4    HA   MET   1           HA       MET   1   8.235   4.097  14.033
    5   1HB   MET   1          2HB       MET   1   7.222   2.539  15.629
    6   2HB   MET   1          1HB       MET   1   8.510   2.860  16.781
    7   1HG   MET   1          2HG       MET   1   6.518   4.062  17.403
    8   2HG   MET   1          1HG       MET   1   7.784   5.193  16.931
    9   1HE   MET   1          1HE       MET   1   4.101   6.534  15.900
   10   2HE   MET   1          2HE       MET   1   5.175   6.339  17.285
   11   3HE   MET   1          3HE       MET   1   4.098   5.025  16.813
   12    H    SER   2           H        SER   2   9.254   5.978  13.799
   13    HA   SER   2           HA       SER   2  11.099   6.832  15.923
   14   1HB   SER   2          2HB       SER   2  11.979   6.142  13.436
   15   2HB   SER   2          1HB       SER   2  11.696   7.870  13.229
   16    HG   SER   2           HG       SER   2  13.461   6.551  14.977
   17    H    GLU   3           H        GLU   3   8.193   7.387  14.983
   18    HA   GLU   3           HA       GLU   3   6.763   9.138  15.046
   19   1HB   GLU   3          2HB       GLU   3   7.904   9.768  17.093
   20   2HB   GLU   3          1HB       GLU   3   9.168  10.578  16.181
   21   1HG   GLU   3          2HG       GLU   3   7.964  12.410  16.633
   22   2HG   GLU   3          1HG       GLU   3   7.001  11.882  15.255
   23    H    LYS   4           H        LYS   4   9.148  11.611  14.551
   24    HA   LYS   4           HA       LYS   4   9.501  13.031  12.803
   25   1HB   LYS   4          2HB       LYS   4   9.793  10.318  11.805
   26   2HB   LYS   4          1HB       LYS   4   9.286  11.418  10.531
   27   1HG   LYS   4          2HG       LYS   4  11.238  12.890  11.610
   28   2HG   LYS   4          1HG       LYS   4  11.831  11.278  12.018
   29   1HD   LYS   4          2HD       LYS   4  11.590  10.637   9.637
   30   2HD   LYS   4          1HD       LYS   4  11.115  12.296   9.269
   31   1HE   LYS   4          2HE       LYS   4  13.635  11.963  10.771
   32   2HE   LYS   4          1HE       LYS   4  13.645  11.394   9.102
   33   1HZ   LYS   4          1HZ       LYS   4  13.483  13.476   8.299
   34   2HZ   LYS   4          2HZ       LYS   4  14.146  13.907   9.793
   35   3HZ   LYS   4          3HZ       LYS   4  12.476  14.017   9.547
   36    HA   PRO   5           HA       PRO   5   5.766  14.430  10.916
   37   1HB   PRO   5          2HB       PRO   5   6.336  14.754   8.243
   38   2HB   PRO   5          1HB       PRO   5   6.794  15.902   9.505
   39   1HG   PRO   5          2HG       PRO   5   8.432  13.774   8.192
   40   2HG   PRO   5          1HG       PRO   5   8.894  15.425   8.648
   41   1HD   PRO   5          2HD       PRO   5   9.609  13.296  10.120
   42   2HD   PRO   5          1HD       PRO   5   9.213  14.855  10.869
   43    H    LEU   6           H        LEU   6   5.000  12.162  11.377
   44    HA   LEU   6           HA       LEU   6   3.707  10.387  10.803
   45   1HB   LEU   6          2HB       LEU   6   3.603  11.800   8.139
   46   2HB   LEU   6          1HB       LEU   6   2.622  10.410   8.563
   47    HG   LEU   6           HG       LEU   6   1.285  12.388   8.792
   48   1HD1  LEU   6          1HD1      LEU   6   2.072  11.574  11.578
   49   2HD1  LEU   6          2HD1      LEU   6   1.112  10.554  10.507
   50   3HD1  LEU   6          3HD1      LEU   6   0.498  12.129  11.009
   51   1HD2  LEU   6          1HD2      LEU   6   3.398  13.833   9.179
   52   2HD2  LEU   6          2HD2      LEU   6   3.123  13.481  10.885
   53   3HD2  LEU   6          3HD2      LEU   6   1.882  14.308   9.943
   54    H    THR   7           H        THR   7   5.384   8.885  11.060
   55    HA   THR   7           HA       THR   7   7.072   8.223   8.806
   56    HB   THR   7           HB       THR   7   7.543   6.240  10.594
   57    HG1  THR   7           1HG      THR   7   6.616   6.692  12.402
   58   1HG2  THR   7          1HG2      THR   7   9.523   7.208  10.619
   59   2HG2  THR   7          2HG2      THR   7   8.896   8.518  11.620
   60   3HG2  THR   7          3HG2      THR   7   8.824   8.639   9.862
   61    H    LYS   8           H        LYS   8   7.320   5.671   8.531
   62    HA   LYS   8           HA       LYS   8   5.173   4.779   7.054
   63   1HB   LYS   8          2HB       LYS   8   7.456   3.348   8.370
   64   2HB   LYS   8          1HB       LYS   8   6.221   2.443   7.504
   65   1HG   LYS   8          2HG       LYS   8   7.358   4.729   6.047
   66   2HG   LYS   8          1HG       LYS   8   8.473   3.402   6.378
   67   1HD   LYS   8          2HD       LYS   8   5.753   2.874   5.237
   68   2HD   LYS   8          1HD       LYS   8   7.092   3.356   4.194
   69   1HE   LYS   8          2HE       LYS   8   8.261   1.402   5.659
   70   2HE   LYS   8          1HE       LYS   8   6.600   0.819   5.601
   71   1HZ   LYS   8          1HZ       LYS   8   7.850   1.731   3.112
   72   2HZ   LYS   8          2HZ       LYS   8   6.677   0.536   3.352
   73   3HZ   LYS   8          3HZ       LYS   8   8.296   0.219   3.728
   74    H    THR   9           H        THR   9   5.841   4.263  10.469
   75    HA   THR   9           HA       THR   9   3.642   2.446  10.823
   76    HB   THR   9           HB       THR   9   4.312   3.279  13.350
   77    HG1  THR   9           1HG      THR   9   6.736   3.251  11.898
   78   1HG2  THR   9          1HG2      THR   9   4.945   1.171  13.603
   79   2HG2  THR   9          2HG2      THR   9   6.214   1.320  12.388
   80   3HG2  THR   9          3HG2      THR   9   4.560   0.958  11.895
   81    H    ASP  10           H        ASP  10   4.142   5.887  11.132
   82    HA   ASP  10           HA       ASP  10   2.063   6.581  12.826
   83   1HB   ASP  10          2HB       ASP  10   3.560   7.957  10.672
   84   2HB   ASP  10          1HB       ASP  10   2.028   8.683  11.145
   85    H    TYR  11           H        TYR  11   1.940   6.289   9.266
   86    HA   TYR  11           HA       TYR  11  -0.890   6.750   9.220
   87   1HB   TYR  11          2HB       TYR  11   1.216   6.208   7.206
   88   2HB   TYR  11          1HB       TYR  11  -0.415   5.714   6.772
   89    HD1  TYR  11           1HD      TYR  11  -1.844   8.000   8.272
   90    HD2  TYR  11           2HD      TYR  11   1.461   7.939   5.591
   91    HE1  TYR  11           1HE      TYR  11  -2.355  10.306   7.598
   92    HE2  TYR  11           2HE      TYR  11   0.956  10.245   4.912
   93    HH   TYR  11           HH       TYR  11  -1.337  11.711   4.931
   94    H    LEU  12           H        LEU  12   1.208   3.930   9.111
   95    HA   LEU  12           HA       LEU  12  -0.624   1.992   8.340
   96   1HB   LEU  12          2HB       LEU  12   1.810   1.940  10.079
   97   2HB   LEU  12          1HB       LEU  12   0.824   0.498   9.928
   98    HG   LEU  12           HG       LEU  12   1.850   1.898   7.482
   99   1HD1  LEU  12          1HD1      LEU  12   3.583   1.079   9.401
  100   2HD1  LEU  12          2HD1      LEU  12   3.938   1.103   7.674
  101   3HD1  LEU  12          3HD1      LEU  12   3.408  -0.393   8.444
  102   1HD2  LEU  12          1HD2      LEU  12   0.111   0.163   7.269
  103   2HD2  LEU  12          2HD2      LEU  12   1.190  -0.987   8.058
  104   3HD2  LEU  12          3HD2      LEU  12   1.629  -0.298   6.495
  105    H    MET  13           H        MET  13   0.091   3.168  11.624
  106    HA   MET  13           HA       MET  13  -1.927   1.508  12.816
  107   1HB   MET  13          2HB       MET  13  -0.588   3.919  14.042
  108   2HB   MET  13          1HB       MET  13  -1.369   2.589  14.885
  109   1HG   MET  13          2HG       MET  13   0.363   1.081  14.285
  110   2HG   MET  13          1HG       MET  13   1.074   2.245  13.170
  111   1HE   MET  13          1HE       MET  13   2.569   4.412  14.025
  112   2HE   MET  13          2HE       MET  13   2.346   5.006  15.670
  113   3HE   MET  13          3HE       MET  13   0.964   4.889  14.580
  114    H    ARG  14           H        ARG  14  -1.635   4.912  11.915
  115    HA   ARG  14           HA       ARG  14  -4.055   5.810  13.000
  116   1HB   ARG  14          2HB       ARG  14  -2.155   7.216  12.079
  117   2HB   ARG  14          1HB       ARG  14  -2.786   6.869  10.474
  118   1HG   ARG  14          2HG       ARG  14  -4.926   7.902  11.122
  119   2HG   ARG  14          1HG       ARG  14  -4.230   8.305  12.692
  120   1HD   ARG  14          2HD       ARG  14  -2.366   9.294  10.937
  121   2HD   ARG  14          1HD       ARG  14  -3.886   9.597  10.095
  122    HE   ARG  14           HE       ARG  14  -4.410  11.178  11.670
  123   1HH1  ARG  14          1HH1      ARG  14  -1.737   9.257  12.829
  124   2HH1  ARG  14          2HH1      ARG  14  -1.425  10.285  14.187
  125   1HH2  ARG  14          1HH2      ARG  14  -4.002  12.530  13.456
  126   2HH2  ARG  14          2HH2      ARG  14  -2.711  12.143  14.544
  127    H    LEU  15           H        LEU  15  -3.300   4.276   9.924
  128    HA   LEU  15           HA       LEU  15  -5.788   4.705   8.668
  129   1HB   LEU  15          2HB       LEU  15  -3.526   3.850   7.710
  130   2HB   LEU  15          1HB       LEU  15  -4.114   2.266   8.175
  131    HG   LEU  15           HG       LEU  15  -5.991   3.884   6.573
  132   1HD1  LEU  15          1HD1      LEU  15  -3.458   4.090   5.723
  133   2HD1  LEU  15          2HD1      LEU  15  -4.842   4.005   4.634
  134   3HD1  LEU  15          3HD1      LEU  15  -3.898   2.555   4.974
  135   1HD2  LEU  15          1HD2      LEU  15  -6.583   1.809   5.669
  136   2HD2  LEU  15          2HD2      LEU  15  -6.221   1.462   7.360
  137   3HD2  LEU  15          3HD2      LEU  15  -5.040   1.075   6.109
  138    H    ARG  16           H        ARG  16  -4.551   2.000  10.607
  139    HA   ARG  16           HA       ARG  16  -6.948   0.468  10.411
  140   1HB   ARG  16          2HB       ARG  16  -4.548  -0.316  10.988
  141   2HB   ARG  16          1HB       ARG  16  -4.940   0.182  12.629
  142   1HG   ARG  16          2HG       ARG  16  -6.974  -1.325  12.442
  143   2HG   ARG  16          1HG       ARG  16  -6.224  -1.972  10.981
  144   1HD   ARG  16          2HD       ARG  16  -5.455  -3.441  12.578
  145   2HD   ARG  16          1HD       ARG  16  -4.141  -2.266  12.520
  146    HE   ARG  16           HE       ARG  16  -6.111  -1.609  14.485
  147   1HH1  ARG  16          1HH1      ARG  16  -3.308  -3.592  13.861
  148   2HH1  ARG  16          2HH1      ARG  16  -2.874  -3.723  15.532
  149   1HH2  ARG  16          1HH2      ARG  16  -5.542  -1.780  16.684
  150   2HH2  ARG  16          2HH2      ARG  16  -4.142  -2.695  17.136
  151    H    ARG  17           H        ARG  17  -5.924   3.086  12.408
  152    HA   ARG  17           HA       ARG  17  -7.410   2.675  14.721
  153   1HB   ARG  17          2HB       ARG  17  -5.985   4.841  13.489
  154   2HB   ARG  17          1HB       ARG  17  -7.498   5.444  14.151
  155   1HG   ARG  17          2HG       ARG  17  -6.543   3.841  16.168
  156   2HG   ARG  17          1HG       ARG  17  -5.078   4.570  15.506
  157   1HD   ARG  17          2HD       ARG  17  -5.637   6.647  16.200
  158   2HD   ARG  17          1HD       ARG  17  -7.358   6.395  15.906
  159    HE   ARG  17           HE       ARG  17  -6.325   4.917  18.148
  160   1HH1  ARG  17          1HH1      ARG  17  -7.686   7.955  17.097
  161   2HH1  ARG  17          2HH1      ARG  17  -8.268   8.381  18.669
  162   1HH2  ARG  17          1HH2      ARG  17  -7.092   5.477  20.218
  163   2HH2  ARG  17          2HH2      ARG  17  -7.932   6.974  20.442
  164    H    CYS  18           H        CYS  18  -8.442   3.628  11.541
  165    HA   CYS  18           HA       CYS  18 -10.856   4.883  12.092
  166   1HB   CYS  18          2HB       CYS  18  -9.543   3.865   9.809
  167   2HB   CYS  18          1HB       CYS  18 -11.157   3.162   9.806
  168    HG   CYS  18           HG       CYS  18 -11.771   5.289   8.746
  169    H    GLN  19           H        GLN  19 -13.066   3.932  11.637
  170    HA   GLN  19           HA       GLN  19 -13.356   1.517  13.258
  171   1HB   GLN  19          2HB       GLN  19 -14.630   3.732  13.665
  172   2HB   GLN  19          1HB       GLN  19 -15.624   3.239  12.301
  173   1HG   GLN  19          2HG       GLN  19 -16.846   2.412  14.039
  174   2HG   GLN  19          1HG       GLN  19 -15.846   1.012  13.653
  175   1HE2  GLN  19          1HE2      GLN  19 -15.349   3.997  15.511
  176   2HE2  GLN  19          2HE2      GLN  19 -14.794   3.213  16.947
  177    H    THR  20           H        THR  20 -14.277   2.829  10.112
  178    HA   THR  20           HA       THR  20 -14.809   0.081   9.214
  179    HB   THR  20           HB       THR  20 -16.958   1.197   9.540
  180    HG1  THR  20           1HG      THR  20 -17.730   0.924   7.408
  181   1HG2  THR  20          1HG2      THR  20 -15.681   3.368   7.996
  182   2HG2  THR  20          2HG2      THR  20 -16.851   3.443   9.312
  183   3HG2  THR  20          3HG2      THR  20 -17.384   3.036   7.680
  184    H    ILE  21           H        ILE  21 -14.633  -0.201   6.867
  185    HA   ILE  21           HA       ILE  21 -12.269   1.063   5.871
  186    HB   ILE  21           HB       ILE  21 -14.167  -0.786   4.421
  187   1HG1  ILE  21          2HG1      ILE  21 -13.316  -1.813   6.474
  188   2HG1  ILE  21          1HG1      ILE  21 -12.598  -2.573   5.058
  189   1HG2  ILE  21          1HG2      ILE  21 -12.230  -1.263   2.991
  190   2HG2  ILE  21          2HG2      ILE  21 -11.298  -0.044   3.861
  191   3HG2  ILE  21          3HG2      ILE  21 -12.709   0.433   2.914
  192   1HD1  ILE  21          1HD1      ILE  21 -10.710  -2.326   6.247
  193   2HD1  ILE  21          2HD1      ILE  21 -11.352  -0.985   7.195
  194   3HD1  ILE  21          3HD1      ILE  21 -10.745  -0.701   5.563
  195    H    ASP  22           H        ASP  22 -15.710   1.207   5.060
  196    HA   ASP  22           HA       ASP  22 -15.594   2.713   2.738
  197   1HB   ASP  22          2HB       ASP  22 -17.645   2.595   4.942
  198   2HB   ASP  22          1HB       ASP  22 -17.879   3.592   3.510
  199    H    THR  23           H        THR  23 -15.855   3.898   6.089
  200    HA   THR  23           HA       THR  23 -15.756   6.636   5.413
  201    HB   THR  23           HB       THR  23 -16.403   5.388   7.651
  202    HG1  THR  23           1HG      THR  23 -15.133   7.921   7.650
  203   1HG2  THR  23          1HG2      THR  23 -14.135   4.576   8.156
  204   2HG2  THR  23          2HG2      THR  23 -14.793   5.622   9.413
  205   3HG2  THR  23          3HG2      THR  23 -13.593   6.250   8.283
  206    H    LEU  24           H        LEU  24 -13.266   4.333   6.399
  207    HA   LEU  24           HA       LEU  24 -11.098   6.090   6.531
  208   1HB   LEU  24          2HB       LEU  24 -10.901   3.875   7.414
  209   2HB   LEU  24          1HB       LEU  24 -11.257   3.155   5.858
  210    HG   LEU  24           HG       LEU  24  -8.827   3.118   6.691
  211   1HD1  LEU  24          1HD1      LEU  24  -9.884   2.899   4.253
  212   2HD1  LEU  24          2HD1      LEU  24  -8.146   2.829   4.553
  213   3HD1  LEU  24          3HD1      LEU  24  -8.886   4.330   3.994
  214   1HD2  LEU  24          1HD2      LEU  24  -9.176   5.795   6.992
  215   2HD2  LEU  24          2HD2      LEU  24  -8.385   5.721   5.416
  216   3HD2  LEU  24          3HD2      LEU  24  -7.612   4.999   6.826
  217    H    GLU  25           H        GLU  25 -12.506   4.379   3.775
  218    HA   GLU  25           HA       GLU  25 -10.512   4.908   1.890
  219   1HB   GLU  25          2HB       GLU  25 -12.678   3.462   1.725
  220   2HB   GLU  25          1HB       GLU  25 -13.419   4.948   1.146
  221   1HG   GLU  25          2HG       GLU  25 -10.887   4.088  -0.129
  222   2HG   GLU  25          1HG       GLU  25 -12.348   3.167  -0.489
  223    H    ARG  26           H        ARG  26 -13.208   6.868   3.014
  224    HA   ARG  26           HA       ARG  26 -13.083   8.923   1.122
  225   1HB   ARG  26          2HB       ARG  26 -14.935   8.678   2.707
  226   2HB   ARG  26          1HB       ARG  26 -13.860   9.069   4.042
  227   1HG   ARG  26          2HG       ARG  26 -13.473  11.258   2.599
  228   2HG   ARG  26          1HG       ARG  26 -15.080  10.838   2.003
  229   1HD   ARG  26          2HD       ARG  26 -16.077  11.335   3.962
  230   2HD   ARG  26          1HD       ARG  26 -14.748  10.684   4.919
  231    HE   ARG  26           HE       ARG  26 -13.835  13.029   3.750
  232   1HH1  ARG  26          1HH1      ARG  26 -16.295  12.065   6.029
  233   2HH1  ARG  26          2HH1      ARG  26 -16.265  13.567   6.889
  234   1HH2  ARG  26          1HH2      ARG  26 -13.793  15.007   4.880
  235   2HH2  ARG  26          2HH2      ARG  26 -14.844  15.238   6.237
  236    H    VAL  27           H        VAL  27 -11.271   8.407   4.112
  237    HA   VAL  27           HA       VAL  27  -9.971  10.944   4.021
  238    HB   VAL  27           HB       VAL  27 -10.288   9.535   6.104
  239   1HG1  VAL  27          1HG1      VAL  27  -8.495   7.782   4.637
  240   2HG1  VAL  27          2HG1      VAL  27  -9.504   7.458   6.043
  241   3HG1  VAL  27          3HG1      VAL  27  -7.903   8.166   6.251
  242   1HG2  VAL  27          1HG2      VAL  27  -7.917  11.061   5.272
  243   2HG2  VAL  27          2HG2      VAL  27  -7.722  10.092   6.734
  244   3HG2  VAL  27          3HG2      VAL  27  -9.003  11.301   6.642
  245    H    ILE  28           H        ILE  28  -9.373   7.852   2.575
  246    HA   ILE  28           HA       ILE  28  -6.617   8.084   2.076
  247    HB   ILE  28           HB       ILE  28  -8.635   6.726   0.286
  248   1HG1  ILE  28          2HG1      ILE  28  -7.202   5.696   2.742
  249   2HG1  ILE  28          1HG1      ILE  28  -8.935   5.910   2.545
  250   1HG2  ILE  28          1HG2      ILE  28  -5.924   7.129  -0.066
  251   2HG2  ILE  28          2HG2      ILE  28  -6.917   5.922  -0.882
  252   3HG2  ILE  28          3HG2      ILE  28  -6.026   5.489   0.576
  253   1HD1  ILE  28          1HD1      ILE  28  -8.381   4.244   0.485
  254   2HD1  ILE  28          2HD1      ILE  28  -8.913   3.726   2.084
  255   3HD1  ILE  28          3HD1      ILE  28  -7.196   3.724   1.683
  256    H    GLU  29           H        GLU  29  -9.444   9.262   0.349
  257    HA   GLU  29           HA       GLU  29  -7.969  10.225  -1.907
  258   1HB   GLU  29          2HB       GLU  29 -10.590   9.710  -1.485
  259   2HB   GLU  29          1HB       GLU  29 -10.587  11.455  -1.282
  260   1HG   GLU  29          2HG       GLU  29  -9.680  11.767  -3.479
  261   2HG   GLU  29          1HG       GLU  29  -9.472  10.028  -3.684
  262    H    LYS  30           H        LYS  30  -9.112  11.603   1.118
  263    HA   LYS  30           HA       LYS  30  -8.402  14.294   0.434
  264   1HB   LYS  30          2HB       LYS  30  -9.909  13.074   2.438
  265   2HB   LYS  30          1HB       LYS  30  -8.532  13.762   3.290
  266   1HG   LYS  30          2HG       LYS  30  -9.270  15.851   3.028
  267   2HG   LYS  30          1HG       LYS  30  -9.715  15.583   1.342
  268   1HD   LYS  30          2HD       LYS  30 -11.436  14.186   3.250
  269   2HD   LYS  30          1HD       LYS  30 -11.472  15.943   3.416
  270   1HE   LYS  30          2HE       LYS  30 -11.930  16.121   0.991
  271   2HE   LYS  30          1HE       LYS  30 -11.995  14.362   0.902
  272   1HZ   LYS  30          1HZ       LYS  30 -13.732  14.810   2.858
  273   2HZ   LYS  30          2HZ       LYS  30 -14.177  14.737   1.228
  274   3HZ   LYS  30          3HZ       LYS  30 -13.939  16.237   1.971
  275    H    ASN  31           H        ASN  31  -6.860  11.630   2.135
  276    HA   ASN  31           HA       ASN  31  -4.635  13.210   3.029
  277   1HB   ASN  31          2HB       ASN  31  -5.448  10.361   3.210
  278   2HB   ASN  31          1HB       ASN  31  -3.726  10.707   3.334
  279   1HD2  ASN  31          1HD2      ASN  31  -6.510  12.584   4.436
  280   2HD2  ASN  31          2HD2      ASN  31  -6.077  12.574   6.108
  281    H    LYS  32           H        LYS  32  -5.202  10.871   0.435
  282    HA   LYS  32           HA       LYS  32  -2.583  10.691  -0.516
  283   1HB   LYS  32          2HB       LYS  32  -3.499   9.791  -2.534
  284   2HB   LYS  32          1HB       LYS  32  -4.494   9.226  -1.202
  285   1HG   LYS  32          2HG       LYS  32  -6.167   9.839  -2.569
  286   2HG   LYS  32          1HG       LYS  32  -5.861  11.432  -1.876
  287   1HD   LYS  32          2HD       LYS  32  -4.239  11.797  -3.791
  288   2HD   LYS  32          1HD       LYS  32  -4.922  10.341  -4.517
  289   1HE   LYS  32          2HE       LYS  32  -6.774  12.485  -3.605
  290   2HE   LYS  32          1HE       LYS  32  -5.861  12.738  -5.091
  291   1HZ   LYS  32          1HZ       LYS  32  -8.125  11.674  -5.314
  292   2HZ   LYS  32          2HZ       LYS  32  -7.450  10.286  -4.623
  293   3HZ   LYS  32          3HZ       LYS  32  -6.848  10.879  -6.087
  294    H    TYR  33           H        TYR  33  -5.090  13.079  -1.135
  295    HA   TYR  33           HA       TYR  33  -3.455  14.444  -3.110
  296   1HB   TYR  33          2HB       TYR  33  -5.927  14.278  -3.364
  297   2HB   TYR  33          1HB       TYR  33  -6.109  15.280  -1.928
  298    HD1  TYR  33           1HD      TYR  33  -3.699  15.640  -4.743
  299    HD2  TYR  33           2HD      TYR  33  -7.075  17.252  -2.718
  300    HE1  TYR  33           1HE      TYR  33  -3.565  17.659  -6.140
  301    HE2  TYR  33           2HE      TYR  33  -6.951  19.276  -4.111
  302    HH   TYR  33           HH       TYR  33  -5.193  19.472  -6.918
  303    H    GLU  34           H        GLU  34  -4.016  14.551   0.274
  304    HA   GLU  34           HA       GLU  34  -3.435  17.285   0.734
  305   1HB   GLU  34          2HB       GLU  34  -3.991  14.939   2.310
  306   2HB   GLU  34          1HB       GLU  34  -2.642  15.825   3.008
  307   1HG   GLU  34          2HG       GLU  34  -4.278  17.873   2.593
  308   2HG   GLU  34          1HG       GLU  34  -5.486  16.596   2.728
  309    H    LEU  35           H        LEU  35  -1.388  14.630   1.911
  310    HA   LEU  35           HA       LEU  35   0.940  16.174   1.990
  311   1HB   LEU  35          2HB       LEU  35   2.114  14.228   2.520
  312   2HB   LEU  35          1HB       LEU  35   0.536  14.000   3.194
  313    HG   LEU  35           HG       LEU  35   1.956  12.409   1.208
  314   1HD1  LEU  35          1HD1      LEU  35   1.344  10.928   2.720
  315   2HD1  LEU  35          2HD1      LEU  35  -0.319  11.097   2.172
  316   3HD1  LEU  35          3HD1      LEU  35   0.278  12.090   3.500
  317   1HD2  LEU  35          1HD2      LEU  35   0.554  13.003  -0.495
  318   2HD2  LEU  35          2HD2      LEU  35  -0.783  13.383   0.586
  319   3HD2  LEU  35          3HD2      LEU  35  -0.374  11.705   0.249
  320    H    SER  36           H        SER  36   2.837  14.443   0.774
  321    HA   SER  36           HA       SER  36   2.394  15.065  -2.072
  322   1HB   SER  36          2HB       SER  36   5.199  14.852  -1.393
  323   2HB   SER  36          1HB       SER  36   4.334  16.195  -2.138
  324    HG   SER  36           HG       SER  36   4.821  17.122  -0.300
  325    H    ASP  37           H        ASP  37   4.280  13.765  -3.337
  326    HA   ASP  37           HA       ASP  37   3.502  11.072  -3.256
  327   1HB   ASP  37          2HB       ASP  37   6.009  12.263  -4.466
  328   2HB   ASP  37          1HB       ASP  37   5.339  10.679  -4.841
  329    H    ASN  38           H        ASN  38   5.944  12.818  -1.525
  330    HA   ASN  38           HA       ASN  38   7.529  10.561  -0.805
  331   1HB   ASN  38          2HB       ASN  38   8.641  12.083   0.750
  332   2HB   ASN  38          1HB       ASN  38   8.448  12.837  -0.829
  333   1HD2  ASN  38          1HD2      ASN  38   8.868  14.140   1.680
  334   2HD2  ASN  38          2HD2      ASN  38   7.497  15.153   1.962
  335    H    GLU  39           H        GLU  39   5.046  12.450   0.940
  336    HA   GLU  39           HA       GLU  39   5.176  10.699   3.220
  337   1HB   GLU  39          2HB       GLU  39   4.643  13.004   3.602
  338   2HB   GLU  39          1HB       GLU  39   3.344  12.956   2.424
  339   1HG   GLU  39          2HG       GLU  39   1.998  12.688   4.164
  340   2HG   GLU  39          1HG       GLU  39   2.587  11.027   4.209
  341    H    LEU  40           H        LEU  40   3.209  11.082   0.355
  342    HA   LEU  40           HA       LEU  40   1.031   9.484   1.047
  343   1HB   LEU  40          2HB       LEU  40   1.113  10.912  -0.928
  344   2HB   LEU  40          1HB       LEU  40   2.302   9.858  -1.661
  345    HG   LEU  40           HG       LEU  40  -0.232   8.567  -0.860
  346   1HD1  LEU  40          1HD1      LEU  40  -1.008  10.742  -1.725
  347   2HD1  LEU  40          2HD1      LEU  40  -1.468   9.393  -2.764
  348   3HD1  LEU  40          3HD1      LEU  40  -0.123  10.440  -3.221
  349   1HD2  LEU  40          1HD2      LEU  40   0.153   7.729  -3.298
  350   2HD2  LEU  40          2HD2      LEU  40   1.185   7.144  -1.992
  351   3HD2  LEU  40          3HD2      LEU  40   1.764   8.409  -3.076
  352    H    ALA  41           H        ALA  41   4.250   8.629  -0.052
  353    HA   ALA  41           HA       ALA  41   3.818   5.965  -0.770
  354   1HB   ALA  41          1HB       ALA  41   6.178   7.442   0.335
  355   2HB   ALA  41          2HB       ALA  41   5.952   6.734  -1.264
  356   3HB   ALA  41          3HB       ALA  41   6.246   5.692   0.128
  357    H    VAL  42           H        VAL  42   3.998   7.552   2.311
  358    HA   VAL  42           HA       VAL  42   4.160   5.159   3.884
  359    HB   VAL  42           HB       VAL  42   3.419   7.985   4.677
  360   1HG1  VAL  42          1HG1      VAL  42   3.226   5.531   6.139
  361   2HG1  VAL  42          2HG1      VAL  42   2.849   7.170   6.666
  362   3HG1  VAL  42          3HG1      VAL  42   4.482   6.541   6.855
  363   1HG2  VAL  42          1HG2      VAL  42   5.694   7.755   3.778
  364   2HG2  VAL  42          2HG2      VAL  42   6.029   6.503   4.973
  365   3HG2  VAL  42          3HG2      VAL  42   5.696   8.155   5.496
  366    H    PHE  43           H        PHE  43   1.619   7.281   2.658
  367    HA   PHE  43           HA       PHE  43  -0.455   6.069   4.229
  368   1HB   PHE  43          2HB       PHE  43  -0.458   8.425   3.216
  369   2HB   PHE  43          1HB       PHE  43  -0.881   7.641   1.696
  370    HD1  PHE  43           1HD      PHE  43  -2.092   8.910   4.805
  371    HD2  PHE  43           2HD      PHE  43  -2.978   6.216   1.634
  372    HE1  PHE  43           1HE      PHE  43  -4.460   8.912   5.472
  373    HE2  PHE  43           2HE      PHE  43  -5.347   6.213   2.293
  374    HZ   PHE  43           HZ       PHE  43  -6.092   7.562   4.215
  375    H    TYR  44           H        TYR  44   0.542   5.857   0.826
  376    HA   TYR  44           HA       TYR  44  -1.409   4.055  -0.032
  377   1HB   TYR  44          2HB       TYR  44   0.560   5.382  -1.281
  378   2HB   TYR  44          1HB       TYR  44   1.318   3.796  -1.184
  379    HD1  TYR  44           1HD      TYR  44  -1.456   5.723  -2.616
  380    HD2  TYR  44           2HD      TYR  44   0.458   1.927  -2.458
  381    HE1  TYR  44           1HE      TYR  44  -2.734   5.004  -4.588
  382    HE2  TYR  44           2HE      TYR  44  -0.814   1.197  -4.431
  383    HH   TYR  44           HH       TYR  44  -1.970   2.545  -6.479
  384    H    SER  45           H        SER  45   1.777   3.469   1.396
  385    HA   SER  45           HA       SER  45   1.834   0.687   1.095
  386   1HB   SER  45          2HB       SER  45   3.113   2.516   3.129
  387   2HB   SER  45          1HB       SER  45   3.411   0.778   3.096
  388    HG   SER  45           HG       SER  45   4.946   2.085   1.897
  389    H    ALA  46           H        ALA  46   0.537   2.707   3.697
  390    HA   ALA  46           HA       ALA  46  -0.240   0.489   5.328
  391   1HB   ALA  46          1HB       ALA  46  -1.578   2.299   6.534
  392   2HB   ALA  46          2HB       ALA  46  -0.827   3.432   5.410
  393   3HB   ALA  46          3HB       ALA  46   0.176   2.473   6.500
  394    H    ALA  47           H        ALA  47  -1.759   2.386   2.818
  395    HA   ALA  47           HA       ALA  47  -4.429   1.517   3.356
  396   1HB   ALA  47          1HB       ALA  47  -4.587   2.314   0.806
  397   2HB   ALA  47          2HB       ALA  47  -3.075   3.103   1.261
  398   3HB   ALA  47          3HB       ALA  47  -4.552   3.438   2.165
  399    H    ASP  48           H        ASP  48  -2.021   0.637   0.882
  400    HA   ASP  48           HA       ASP  48  -3.531  -1.306  -0.431
  401   1HB   ASP  48          2HB       ASP  48  -0.664  -0.616  -0.233
  402   2HB   ASP  48          1HB       ASP  48  -1.010  -2.271  -0.727
  403    H    HIS  49           H        HIS  49  -1.241  -1.677   2.268
  404    HA   HIS  49           HA       HIS  49  -1.376  -4.443   2.537
  405   1HB   HIS  49          2HB       HIS  49  -0.706  -2.184   4.360
  406   2HB   HIS  49          1HB       HIS  49  -0.988  -3.761   5.086
  407    HD1  HIS  49           1HD      HIS  49   1.784  -2.026   4.631
  408    HD2  HIS  49           2HD      HIS  49   0.592  -5.566   2.812
  409    HE1  HIS  49           1HE      HIS  49   3.906  -3.128   3.853
  410    HE2  HIS  49           2HE      HIS  49   3.154  -5.230   2.685
  411    H    ARG  50           H        ARG  50  -3.498  -1.932   3.829
  412    HA   ARG  50           HA       ARG  50  -5.063  -3.690   5.430
  413   1HB   ARG  50          2HB       ARG  50  -4.824  -1.065   5.462
  414   2HB   ARG  50          1HB       ARG  50  -6.175  -1.137   4.339
  415   1HG   ARG  50          2HG       ARG  50  -7.553  -1.287   6.058
  416   2HG   ARG  50          1HG       ARG  50  -6.833  -2.844   6.471
  417   1HD   ARG  50          2HD       ARG  50  -5.276  -0.506   7.322
  418   2HD   ARG  50          1HD       ARG  50  -6.854  -0.657   8.091
  419    HE   ARG  50           HE       ARG  50  -6.160  -2.637   9.107
  420   1HH1  ARG  50          1HH1      ARG  50  -3.662  -1.363   7.017
  421   2HH1  ARG  50          2HH1      ARG  50  -2.422  -2.365   7.689
  422   1HH2  ARG  50          1HH2      ARG  50  -4.525  -3.951   9.982
  423   2HH2  ARG  50          2HH2      ARG  50  -2.910  -3.833   9.368
  424    H    LEU  51           H        LEU  51  -5.356  -2.433   2.146
  425    HA   LEU  51           HA       LEU  51  -7.933  -3.564   1.669
  426   1HB   LEU  51          2HB       LEU  51  -6.118  -1.848   0.313
  427   2HB   LEU  51          1HB       LEU  51  -6.493  -3.174  -0.769
  428    HG   LEU  51           HG       LEU  51  -8.826  -1.956   0.563
  429   1HD1  LEU  51          1HD1      LEU  51  -8.771   0.112  -0.355
  430   2HD1  LEU  51          2HD1      LEU  51  -7.807  -0.406  -1.739
  431   3HD1  LEU  51          3HD1      LEU  51  -7.032  -0.126  -0.179
  432   1HD2  LEU  51          1HD2      LEU  51  -9.427  -3.497  -1.031
  433   2HD2  LEU  51          2HD2      LEU  51  -8.089  -3.077  -2.099
  434   3HD2  LEU  51          3HD2      LEU  51  -9.484  -2.006  -1.972
  435    H    ALA  52           H        ALA  52  -4.620  -4.518   0.866
  436    HA   ALA  52           HA       ALA  52  -5.178  -6.777  -0.674
  437   1HB   ALA  52          1HB       ALA  52  -2.918  -5.504   0.172
  438   2HB   ALA  52          2HB       ALA  52  -2.956  -7.030  -0.710
  439   3HB   ALA  52          3HB       ALA  52  -2.831  -7.030   1.050
  440    H    GLU  53           H        GLU  53  -4.538  -6.555   2.820
  441    HA   GLU  53           HA       GLU  53  -4.892  -9.285   3.367
  442   1HB   GLU  53          2HB       GLU  53  -4.947  -8.679   5.670
  443   2HB   GLU  53          1HB       GLU  53  -3.817  -7.596   4.876
  444   1HG   GLU  53          2HG       GLU  53  -5.526  -5.850   4.821
  445   2HG   GLU  53          1HG       GLU  53  -6.656  -6.934   5.627
  446    H    LEU  54           H        LEU  54  -7.181  -6.585   3.394
  447    HA   LEU  54           HA       LEU  54  -9.374  -8.003   4.432
  448   1HB   LEU  54          2HB       LEU  54  -8.873  -5.416   3.326
  449   2HB   LEU  54          1HB       LEU  54 -10.317  -6.069   2.577
  450    HG   LEU  54           HG       LEU  54 -10.986  -6.597   5.075
  451   1HD1  LEU  54          1HD1      LEU  54  -8.734  -4.685   5.292
  452   2HD1  LEU  54          2HD1      LEU  54  -9.275  -5.936   6.412
  453   3HD1  LEU  54          3HD1      LEU  54 -10.141  -4.402   6.316
  454   1HD2  LEU  54          1HD2      LEU  54 -11.112  -3.795   3.970
  455   2HD2  LEU  54          2HD2      LEU  54 -12.217  -4.533   5.131
  456   3HD2  LEU  54          3HD2      LEU  54 -12.163  -5.119   3.468
  457    H    THR  55           H        THR  55  -7.972  -7.871   1.253
  458    HA   THR  55           HA       THR  55 -10.164  -8.838  -0.229
  459    HB   THR  55           HB       THR  55  -7.271  -9.349  -0.899
  460    HG1  THR  55           1HG      THR  55  -8.754  -6.953  -1.041
  461   1HG2  THR  55          1HG2      THR  55  -8.576 -10.327  -2.553
  462   2HG2  THR  55          2HG2      THR  55  -8.174  -8.740  -3.209
  463   3HG2  THR  55          3HG2      THR  55  -9.768  -9.029  -2.512
  464    H    MET  56           H        MET  56  -7.474 -10.533   1.375
  465    HA   MET  56           HA       MET  56  -8.718 -13.091   0.645
  466   1HB   MET  56          2HB       MET  56  -6.202 -12.564   0.363
  467   2HB   MET  56          1HB       MET  56  -6.104 -12.806   2.103
  468   1HG   MET  56          2HG       MET  56  -6.895 -15.065   1.881
  469   2HG   MET  56          1HG       MET  56  -7.172 -14.837   0.156
  470   1HE   MET  56          1HE       MET  56  -5.646 -15.269  -1.588
  471   2HE   MET  56          2HE       MET  56  -3.885 -15.308  -1.509
  472   3HE   MET  56          3HE       MET  56  -4.742 -13.777  -1.328
  473    H    ASN  57           H        ASN  57  -7.990 -11.079   3.393
  474    HA   ASN  57           HA       ASN  57  -9.896 -11.778   5.120
  475   1HB   ASN  57          2HB       ASN  57  -7.994 -14.010   4.912
  476   2HB   ASN  57          1HB       ASN  57  -8.276 -13.475   6.565
  477   1HD2  ASN  57          1HD2      ASN  57  -9.013 -15.975   5.761
  478   2HD2  ASN  57          2HD2      ASN  57 -10.736 -16.091   5.715
  479    H    LYS  58           H        LYS  58  -6.455 -12.296   5.812
  480    HA   LYS  58           HA       LYS  58  -6.159  -9.622   6.888
  481   1HB   LYS  58          2HB       LYS  58  -6.378 -12.055   8.589
  482   2HB   LYS  58          1HB       LYS  58  -5.166 -10.862   9.034
  483   1HG   LYS  58          2HG       LYS  58  -7.838  -9.779   8.464
  484   2HG   LYS  58          1HG       LYS  58  -7.725 -10.822   9.882
  485   1HD   LYS  58          2HD       LYS  58  -7.353  -8.495  10.494
  486   2HD   LYS  58          1HD       LYS  58  -5.885  -9.444  10.738
  487   1HE   LYS  58          2HE       LYS  58  -5.205  -8.661   8.405
  488   2HE   LYS  58          1HE       LYS  58  -6.507  -7.482   8.549
  489   1HZ   LYS  58          1HZ       LYS  58  -5.240  -7.098  10.852
  490   2HZ   LYS  58          2HZ       LYS  58  -4.875  -6.242   9.441
  491   3HZ   LYS  58          3HZ       LYS  58  -3.933  -7.573   9.888
  492    H    LEU  59           H        LEU  59  -4.984 -11.162   4.734
  493    HA   LEU  59           HA       LEU  59  -2.322 -11.846   5.638
  494   1HB   LEU  59          2HB       LEU  59  -2.154 -13.065   3.768
  495   2HB   LEU  59          1HB       LEU  59  -3.893 -12.878   3.711
  496    HG   LEU  59           HG       LEU  59  -2.175 -10.866   2.322
  497   1HD1  LEU  59          1HD1      LEU  59  -1.192 -12.805   1.476
  498   2HD1  LEU  59          2HD1      LEU  59  -2.404 -12.343   0.281
  499   3HD1  LEU  59          3HD1      LEU  59  -2.732 -13.661   1.407
  500   1HD2  LEU  59          1HD2      LEU  59  -4.919 -11.316   2.593
  501   2HD2  LEU  59          2HD2      LEU  59  -4.519 -11.806   0.947
  502   3HD2  LEU  59          3HD2      LEU  59  -4.121 -10.182   1.504
  503    H    TYR  60           H        TYR  60  -0.468 -10.731   5.213
  504    HA   TYR  60           HA       TYR  60  -0.677  -8.245   3.677
  505   1HB   TYR  60          2HB       TYR  60   0.802  -7.146   5.407
  506   2HB   TYR  60          1HB       TYR  60  -0.873  -7.419   5.860
  507    HD1  TYR  60           1HD      TYR  60   1.079 -10.419   5.871
  508    HD2  TYR  60           2HD      TYR  60   0.078  -6.999   8.192
  509    HE1  TYR  60           1HE      TYR  60   1.831 -11.585   7.902
  510    HE2  TYR  60           2HE      TYR  60   0.822  -8.155  10.231
  511    HH   TYR  60           HH       TYR  60   1.027 -10.935  10.799
  512    H    ASP  61           H        ASP  61   1.320  -7.423   2.836
  513    HA   ASP  61           HA       ASP  61   3.362  -7.578   1.848
  514   1HB   ASP  61          2HB       ASP  61   3.681  -8.805   4.431
  515   2HB   ASP  61          1HB       ASP  61   4.710  -9.613   3.254
  516    H    LYS  62           H        LYS  62   2.639 -10.920   2.887
  517    HA   LYS  62           HA       LYS  62   3.787 -12.203   0.713
  518   1HB   LYS  62          2HB       LYS  62   1.678 -12.972   2.688
  519   2HB   LYS  62          1HB       LYS  62   2.037 -14.043   1.340
  520   1HG   LYS  62          2HG       LYS  62   3.611 -14.913   2.647
  521   2HG   LYS  62          1HG       LYS  62   4.531 -13.441   2.325
  522   1HD   LYS  62          2HD       LYS  62   2.926 -12.603   4.339
  523   2HD   LYS  62          1HD       LYS  62   3.126 -14.304   4.765
  524   1HE   LYS  62          2HE       LYS  62   5.066 -13.729   5.696
  525   2HE   LYS  62          1HE       LYS  62   5.677 -13.476   4.061
  526   1HZ   LYS  62          1HZ       LYS  62   4.437 -11.160   4.505
  527   2HZ   LYS  62          2HZ       LYS  62   6.074 -11.421   4.838
  528   3HZ   LYS  62          3HZ       LYS  62   4.931 -11.533   6.080
  529    H    ILE  63           H        ILE  63   1.133 -10.178   0.566
  530    HA   ILE  63           HA       ILE  63  -0.602 -11.505  -1.178
  531    HB   ILE  63           HB       ILE  63  -0.017  -8.543  -1.000
  532   1HG1  ILE  63          2HG1      ILE  63  -2.369  -8.779   0.210
  533   2HG1  ILE  63          1HG1      ILE  63  -1.788 -10.413   0.508
  534   1HG2  ILE  63          1HG2      ILE  63  -2.468  -8.502  -1.887
  535   2HG2  ILE  63          2HG2      ILE  63  -2.079 -10.112  -2.489
  536   3HG2  ILE  63          3HG2      ILE  63  -1.130  -8.721  -3.016
  537   1HD1  ILE  63          1HD1      ILE  63  -1.231  -8.089   1.973
  538   2HD1  ILE  63          2HD1      ILE  63   0.269  -8.538   1.165
  539   3HD1  ILE  63          3HD1      ILE  63  -0.551  -9.701   2.208
  540    HA   PRO  64           HA       PRO  64   2.303 -11.678  -4.648
  541   1HB   PRO  64          2HB       PRO  64   0.082 -13.083  -5.973
  542   2HB   PRO  64          1HB       PRO  64   1.723 -13.641  -5.641
  543   1HG   PRO  64          2HG       PRO  64  -0.399 -14.615  -4.312
  544   2HG   PRO  64          1HG       PRO  64   1.181 -14.408  -3.535
  545   1HD   PRO  64          2HD       PRO  64  -1.263 -12.680  -3.359
  546   2HD   PRO  64          1HD       PRO  64  -0.130 -13.170  -2.075
  547    H    SER  65           H        SER  65   1.272 -11.772  -7.246
  548    HA   SER  65           HA       SER  65   0.271  -9.034  -7.508
  549   1HB   SER  65          2HB       SER  65   2.355  -9.679  -8.716
  550   2HB   SER  65          1HB       SER  65   1.417 -10.849  -9.643
  551    HG   SER  65           HG       SER  65   0.766  -8.097  -9.553
  552    H    SER  66           H        SER  66  -0.635 -12.333  -8.027
  553    HA   SER  66           HA       SER  66  -2.712 -11.876  -9.909
  554   1HB   SER  66          2HB       SER  66  -1.478 -14.105  -8.993
  555   2HB   SER  66          1HB       SER  66  -2.980 -14.181  -8.071
  556    HG   SER  66           HG       SER  66  -2.549 -14.686 -10.693
  557    H    VAL  67           H        VAL  67  -2.675 -12.252  -6.378
  558    HA   VAL  67           HA       VAL  67  -5.481 -11.964  -6.052
  559    HB   VAL  67           HB       VAL  67  -3.362 -11.367  -3.987
  560   1HG1  VAL  67          1HG1      VAL  67  -6.209 -12.312  -3.679
  561   2HG1  VAL  67          2HG1      VAL  67  -5.659 -10.653  -3.445
  562   3HG1  VAL  67          3HG1      VAL  67  -5.079 -11.932  -2.380
  563   1HG2  VAL  67          1HG2      VAL  67  -2.739 -13.502  -4.417
  564   2HG2  VAL  67          2HG2      VAL  67  -4.291 -13.925  -5.143
  565   3HG2  VAL  67          3HG2      VAL  67  -4.125 -13.865  -3.388
  566    H    TRP  68           H        TRP  68  -2.769  -9.704  -5.918
  567    HA   TRP  68           HA       TRP  68  -4.240  -7.470  -5.013
  568   1HB   TRP  68          2HB       TRP  68  -1.552  -8.035  -5.798
  569   2HB   TRP  68          1HB       TRP  68  -2.080  -6.587  -6.646
  570    HD1  TRP  68           HD       TRP  68   0.009  -6.946  -4.033
  571    HE1  TRP  68           1HE      TRP  68  -0.355  -5.318  -2.079
  572    HE3  TRP  68           3HE      TRP  68  -4.790  -5.510  -5.050
  573    HZ2  TRP  68           2HZ      TRP  68  -2.404  -3.645  -1.093
  574    HZ3  TRP  68           3HZ      TRP  68  -5.880  -3.892  -3.552
  575    HH2  TRP  68           HH       TRP  68  -4.708  -2.979  -1.614
  576    H    LYS  69           H        LYS  69  -3.509  -8.708  -8.237
  577    HA   LYS  69           HA       LYS  69  -4.534  -6.491  -9.664
  578   1HB   LYS  69          2HB       LYS  69  -4.334  -7.810 -11.614
  579   2HB   LYS  69          1HB       LYS  69  -3.018  -8.313 -10.565
  580   1HG   LYS  69          2HG       LYS  69  -3.716 -10.412 -10.588
  581   2HG   LYS  69          1HG       LYS  69  -5.343  -9.942 -10.102
  582   1HD   LYS  69          2HD       LYS  69  -4.685  -9.329 -12.893
  583   2HD   LYS  69          1HD       LYS  69  -4.684 -11.051 -12.505
  584   1HE   LYS  69          2HE       LYS  69  -6.890 -10.856 -12.959
  585   2HE   LYS  69          1HE       LYS  69  -6.955 -10.320 -11.280
  586   1HZ   LYS  69          1HZ       LYS  69  -8.155  -8.845 -12.821
  587   2HZ   LYS  69          2HZ       LYS  69  -6.701  -8.502 -13.614
  588   3HZ   LYS  69          3HZ       LYS  69  -6.909  -8.047 -11.999
  589    H    PHE  70           H        PHE  70  -6.037  -9.233  -8.158
  590    HA   PHE  70           HA       PHE  70  -8.485  -9.195  -9.572
  591   1HB   PHE  70          2HB       PHE  70  -7.659 -11.071  -8.120
  592   2HB   PHE  70          1HB       PHE  70  -8.048 -10.084  -6.716
  593    HD1  PHE  70           1HD      PHE  70  -9.929 -10.595  -9.885
  594    HD2  PHE  70           2HD      PHE  70  -9.814 -11.143  -5.666
  595    HE1  PHE  70           1HE      PHE  70 -12.239 -11.441  -9.936
  596    HE2  PHE  70           2HE      PHE  70 -12.122 -11.992  -5.710
  597    HZ   PHE  70           HZ       PHE  70 -13.338 -12.142  -7.847
  598    H    ILE  71           H        ILE  71  -7.544  -7.773  -6.446
  599    HA   ILE  71           HA       ILE  71 -10.058  -6.330  -6.287
  600    HB   ILE  71           HB       ILE  71  -9.075  -7.296  -4.247
  601   1HG1  ILE  71          2HG1      ILE  71  -8.843  -4.447  -3.588
  602   2HG1  ILE  71          1HG1      ILE  71 -10.267  -4.833  -4.547
  603   1HG2  ILE  71          1HG2      ILE  71  -6.873  -7.177  -3.970
  604   2HG2  ILE  71          2HG2      ILE  71  -7.089  -5.485  -3.523
  605   3HG2  ILE  71          3HG2      ILE  71  -6.722  -5.916  -5.193
  606   1HD1  ILE  71          1HD1      ILE  71 -11.252  -5.373  -2.639
  607   2HD1  ILE  71          2HD1      ILE  71  -9.726  -5.329  -1.757
  608   3HD1  ILE  71          3HD1      ILE  71 -10.213  -6.797  -2.603
  609    H    ARG  72           H        ARG  72 -10.306  -4.115  -6.401
  610    HA   ARG  72           HA       ARG  72  -8.160  -2.284  -6.661
  611   1HB   ARG  72          2HB       ARG  72  -8.943  -3.656  -9.055
  612   2HB   ARG  72          1HB       ARG  72  -9.367  -1.956  -9.204
  613   1HG   ARG  72          2HG       ARG  72  -6.941  -1.557  -8.351
  614   2HG   ARG  72          1HG       ARG  72  -6.684  -3.217  -8.890
  615   1HD   ARG  72          2HD       ARG  72  -7.493  -2.611 -11.121
  616   2HD   ARG  72          1HD       ARG  72  -7.744  -0.953 -10.579
  617    HE   ARG  72           HE       ARG  72  -5.254  -2.177 -11.314
  618   1HH1  ARG  72          1HH1      ARG  72  -6.740   0.358  -9.433
  619   2HH1  ARG  72          2HH1      ARG  72  -5.320   1.351  -9.418
  620   1HH2  ARG  72          1HH2      ARG  72  -3.386  -0.874 -11.295
  621   2HH2  ARG  72          2HH2      ARG  72  -3.417   0.651 -10.476
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1  13.393   5.329  18.932
    2   2H    MET   1          2HT       MET   1  12.849   6.124  17.512
    3   3H    MET   1          3HT       MET   1  14.146   5.002  17.428
    4    HA   MET   1           HA       MET   1  12.557   3.309  18.280
    5   1HB   MET   1          2HB       MET   1  10.898   4.926  19.089
    6   2HB   MET   1          1HB       MET   1  10.640   5.497  17.446
    7   1HG   MET   1          2HG       MET   1   8.918   4.073  17.476
    8   2HG   MET   1          1HG       MET   1  10.152   2.861  17.135
    9   1HE   MET   1          1HE       MET   1  10.780   0.828  19.692
   10   2HE   MET   1          2HE       MET   1  10.327   1.041  18.001
   11   3HE   MET   1          3HE       MET   1   9.164   0.375  19.147
   12    H    SER   2           H        SER   2  11.812   5.563  15.611
   13    HA   SER   2           HA       SER   2  12.730   3.596  13.681
   14   1HB   SER   2          2HB       SER   2   9.866   4.551  13.811
   15   2HB   SER   2          1HB       SER   2  10.573   3.824  12.369
   16    HG   SER   2           HG       SER   2  10.153   1.978  13.254
   17    H    GLU   3           H        GLU   3  10.601   6.437  13.450
   18    HA   GLU   3           HA       GLU   3  12.756   7.990  12.258
   19   1HB   GLU   3          2HB       GLU   3  11.473   6.651  10.464
   20   2HB   GLU   3          1HB       GLU   3  10.150   7.767  10.774
   21   1HG   GLU   3          2HG       GLU   3  11.092   9.362   9.555
   22   2HG   GLU   3          1HG       GLU   3  12.646   9.165  10.364
   23    H    LYS   4           H        LYS   4  12.512  10.184  12.487
   24    HA   LYS   4           HA       LYS   4  10.837  11.109  14.543
   25   1HB   LYS   4          2HB       LYS   4  12.977  12.128  12.998
   26   2HB   LYS   4          1HB       LYS   4  11.659  13.282  12.858
   27   1HG   LYS   4          2HG       LYS   4  12.268  14.117  14.813
   28   2HG   LYS   4          1HG       LYS   4  11.762  12.604  15.566
   29   1HD   LYS   4          2HD       LYS   4  14.161  11.829  14.742
   30   2HD   LYS   4          1HD       LYS   4  14.484  13.561  14.850
   31   1HE   LYS   4          2HE       LYS   4  13.434  13.394  17.192
   32   2HE   LYS   4          1HE       LYS   4  13.673  11.656  17.020
   33   1HZ   LYS   4          1HZ       LYS   4  15.920  13.492  16.529
   34   2HZ   LYS   4          2HZ       LYS   4  15.948  11.878  17.035
   35   3HZ   LYS   4          3HZ       LYS   4  15.497  13.095  18.120
   36    HA   PRO   5           HA       PRO   5   8.092  13.178  11.209
   37   1HB   PRO   5          2HB       PRO   5   8.609  12.815   8.601
   38   2HB   PRO   5          1HB       PRO   5   9.465  14.028   9.560
   39   1HG   PRO   5          2HG       PRO   5  10.355  11.289   8.741
   40   2HG   PRO   5          1HG       PRO   5  11.268  12.808   8.736
   41   1HD   PRO   5          2HD       PRO   5  11.476  10.931  10.710
   42   2HD   PRO   5          1HD       PRO   5  11.763  12.662  10.970
   43    H    LEU   6           H        LEU   6   7.831  10.538  12.235
   44    HA   LEU   6           HA       LEU   6   6.499   8.707  12.083
   45   1HB   LEU   6          2HB       LEU   6   5.215  10.304   9.869
   46   2HB   LEU   6          1HB       LEU   6   4.528   8.866  10.599
   47    HG   LEU   6           HG       LEU   6   3.428  10.756  11.550
   48   1HD1  LEU   6          1HD1      LEU   6   5.461   9.886  13.591
   49   2HD1  LEU   6          2HD1      LEU   6   4.114   8.876  13.067
   50   3HD1  LEU   6          3HD1      LEU   6   3.803  10.416  13.869
   51   1HD2  LEU   6          1HD2      LEU   6   6.025  11.865  12.549
   52   2HD2  LEU   6          2HD2      LEU   6   4.457  12.660  12.400
   53   3HD2  LEU   6          3HD2      LEU   6   5.403  12.298  10.956
   54    H    THR   7           H        THR   7   6.257   6.745  10.996
   55    HA   THR   7           HA       THR   7   7.742   6.520   8.464
   56    HB   THR   7           HB       THR   7   7.911   4.017   9.572
   57    HG1  THR   7           1HG      THR   7   7.094   4.769  11.557
   58   1HG2  THR   7          1HG2      THR   7  10.197   5.080  10.514
   59   2HG2  THR   7          2HG2      THR   7   9.739   6.294   9.320
   60   3HG2  THR   7          3HG2      THR   7   9.937   4.610   8.834
   61    H    LYS   8           H        LYS   8   7.213   4.170   7.524
   62    HA   LYS   8           HA       LYS   8   4.641   4.264   6.507
   63   1HB   LYS   8          2HB       LYS   8   5.035   1.865   5.849
   64   2HB   LYS   8          1HB       LYS   8   6.290   2.994   5.353
   65   1HG   LYS   8          2HG       LYS   8   7.805   2.191   6.924
   66   2HG   LYS   8          1HG       LYS   8   6.541   1.431   7.894
   67   1HD   LYS   8          2HD       LYS   8   7.302   0.556   5.109
   68   2HD   LYS   8          1HD       LYS   8   7.933  -0.175   6.585
   69   1HE   LYS   8          2HE       LYS   8   5.120  -0.081   6.836
   70   2HE   LYS   8          1HE       LYS   8   5.475  -0.697   5.224
   71   1HZ   LYS   8          1HZ       LYS   8   7.044  -1.824   7.395
   72   2HZ   LYS   8          2HZ       LYS   8   6.362  -2.581   6.045
   73   3HZ   LYS   8          3HZ       LYS   8   5.400  -2.227   7.390
   74    H    THR   9           H        THR   9   5.816   2.739   9.426
   75    HA   THR   9           HA       THR   9   3.439   1.208   9.891
   76    HB   THR   9           HB       THR   9   5.067   1.767  12.249
   77    HG1  THR   9           1HG      THR   9   6.912   0.683  11.416
   78   1HG2  THR   9          1HG2      THR   9   3.656  -0.162  12.189
   79   2HG2  THR   9          2HG2      THR   9   5.340  -0.684  12.234
   80   3HG2  THR   9          3HG2      THR   9   4.439  -0.740  10.719
   81    H    ASP  10           H        ASP  10   4.664   4.342  10.932
   82    HA   ASP  10           HA       ASP  10   2.930   4.879  13.027
   83   1HB   ASP  10          2HB       ASP  10   4.338   6.619  11.036
   84   2HB   ASP  10          1HB       ASP  10   3.198   7.337  12.169
   85    H    TYR  11           H        TYR  11   2.460   5.612   9.570
   86    HA   TYR  11           HA       TYR  11  -0.193   6.606   9.984
   87   1HB   TYR  11          2HB       TYR  11   1.482   5.984   7.575
   88   2HB   TYR  11          1HB       TYR  11  -0.241   6.295   7.388
   89    HD1  TYR  11           1HD      TYR  11  -0.729   8.439   6.717
   90    HD2  TYR  11           2HD      TYR  11   2.576   7.827   9.324
   91    HE1  TYR  11           1HE      TYR  11  -0.298  10.859   6.728
   92    HE2  TYR  11           2HE      TYR  11   3.018  10.246   9.342
   93    HH   TYR  11           HH       TYR  11   1.511  12.395   8.933
   94    H    LEU  12           H        LEU  12   1.209   3.549   8.938
   95    HA   LEU  12           HA       LEU  12  -1.072   2.254   8.028
   96   1HB   LEU  12          2HB       LEU  12   1.124   1.308   7.734
   97   2HB   LEU  12          1HB       LEU  12   1.339   1.154   9.466
   98    HG   LEU  12           HG       LEU  12   0.804  -0.963   8.128
   99   1HD1  LEU  12          1HD1      LEU  12  -1.163  -0.611  10.331
  100   2HD1  LEU  12          2HD1      LEU  12   0.556  -0.439  10.686
  101   3HD1  LEU  12          3HD1      LEU  12  -0.057  -1.945  10.002
  102   1HD2  LEU  12          1HD2      LEU  12  -1.636  -1.379   7.857
  103   2HD2  LEU  12          2HD2      LEU  12  -0.985  -0.170   6.752
  104   3HD2  LEU  12          3HD2      LEU  12  -1.915   0.335   8.162
  105    H    MET  13           H        MET  13   0.220   2.376  11.348
  106    HA   MET  13           HA       MET  13  -1.926   0.819  12.420
  107   1HB   MET  13          2HB       MET  13  -1.004   1.536  14.631
  108   2HB   MET  13          1HB       MET  13   0.169   0.765  13.572
  109   1HG   MET  13          2HG       MET  13   1.493   2.533  13.638
  110   2HG   MET  13          1HG       MET  13   0.177   3.606  13.166
  111   1HE   MET  13          1HE       MET  13  -1.719   2.758  16.071
  112   2HE   MET  13          2HE       MET  13  -1.772   4.072  14.895
  113   3HE   MET  13          3HE       MET  13  -1.474   4.424  16.598
  114    H    ARG  14           H        ARG  14  -1.309   4.238  11.991
  115    HA   ARG  14           HA       ARG  14  -3.447   5.118  13.675
  116   1HB   ARG  14          2HB       ARG  14  -1.288   6.339  12.486
  117   2HB   ARG  14          1HB       ARG  14  -2.634   6.953  11.539
  118   1HG   ARG  14          2HG       ARG  14  -3.372   8.250  13.203
  119   2HG   ARG  14          1HG       ARG  14  -3.086   7.011  14.428
  120   1HD   ARG  14          2HD       ARG  14  -0.775   7.578  14.569
  121   2HD   ARG  14          1HD       ARG  14  -0.885   8.628  13.158
  122    HE   ARG  14           HE       ARG  14  -2.641   9.735  14.892
  123   1HH1  ARG  14          1HH1      ARG  14   0.709   8.795  15.160
  124   2HH1  ARG  14          2HH1      ARG  14   1.088  10.017  16.326
  125   1HH2  ARG  14          1HH2      ARG  14  -2.144  11.344  16.425
  126   2HH2  ARG  14          2HH2      ARG  14  -0.532  11.465  17.045
  127    H    LEU  15           H        LEU  15  -3.194   4.026  10.409
  128    HA   LEU  15           HA       LEU  15  -5.569   5.263   9.424
  129   1HB   LEU  15          2HB       LEU  15  -3.560   4.276   8.123
  130   2HB   LEU  15          1HB       LEU  15  -4.380   2.738   8.319
  131    HG   LEU  15           HG       LEU  15  -6.189   4.755   7.291
  132   1HD1  LEU  15          1HD1      LEU  15  -4.673   5.873   6.045
  133   2HD1  LEU  15          2HD1      LEU  15  -4.878   4.490   4.969
  134   3HD1  LEU  15          3HD1      LEU  15  -3.507   4.551   6.076
  135   1HD2  LEU  15          1HD2      LEU  15  -5.195   2.218   6.009
  136   2HD2  LEU  15          2HD2      LEU  15  -6.720   3.055   5.716
  137   3HD2  LEU  15          3HD2      LEU  15  -6.435   2.256   7.263
  138    H    ARG  16           H        ARG  16  -4.802   2.021  10.654
  139    HA   ARG  16           HA       ARG  16  -7.365   0.918  10.268
  140   1HB   ARG  16          2HB       ARG  16  -5.101  -0.233  10.820
  141   2HB   ARG  16          1HB       ARG  16  -5.553   0.050  12.495
  142   1HG   ARG  16          2HG       ARG  16  -7.827  -1.066  11.457
  143   2HG   ARG  16          1HG       ARG  16  -6.548  -1.918  10.590
  144   1HD   ARG  16          2HD       ARG  16  -6.937  -1.711  13.569
  145   2HD   ARG  16          1HD       ARG  16  -7.037  -3.158  12.569
  146    HE   ARG  16           HE       ARG  16  -4.475  -1.850  12.486
  147   1HH1  ARG  16          1HH1      ARG  16  -6.450  -4.191  14.158
  148   2HH1  ARG  16          2HH1      ARG  16  -5.098  -5.044  14.822
  149   1HH2  ARG  16          1HH2      ARG  16  -2.695  -2.971  13.358
  150   2HH2  ARG  16          2HH2      ARG  16  -2.966  -4.352  14.369
  151    H    ARG  17           H        ARG  17  -6.236   3.193  12.555
  152    HA   ARG  17           HA       ARG  17  -7.735   2.647  14.818
  153   1HB   ARG  17          2HB       ARG  17  -6.800   5.219  13.584
  154   2HB   ARG  17          1HB       ARG  17  -7.763   5.225  15.054
  155   1HG   ARG  17          2HG       ARG  17  -5.961   3.524  15.886
  156   2HG   ARG  17          1HG       ARG  17  -4.983   4.258  14.613
  157   1HD   ARG  17          2HD       ARG  17  -4.714   6.162  15.763
  158   2HD   ARG  17          1HD       ARG  17  -6.401   6.199  16.272
  159    HE   ARG  17           HE       ARG  17  -4.167   5.174  17.753
  160   1HH1  ARG  17          1HH1      ARG  17  -7.622   4.971  17.303
  161   2HH1  ARG  17          2HH1      ARG  17  -7.921   4.375  18.901
  162   1HH2  ARG  17          1HH2      ARG  17  -4.558   4.389  19.854
  163   2HH2  ARG  17          2HH2      ARG  17  -6.182   4.045  20.350
  164    H    CYS  18           H        CYS  18  -8.781   3.841  11.730
  165    HA   CYS  18           HA       CYS  18 -11.177   5.083  12.410
  166   1HB   CYS  18          2HB       CYS  18  -9.904   4.600  10.077
  167   2HB   CYS  18          1HB       CYS  18 -11.199   3.413   9.963
  168    HG   CYS  18           HG       CYS  18 -11.501   6.347   9.486
  169    H    GLN  19           H        GLN  19 -13.396   4.221  11.957
  170    HA   GLN  19           HA       GLN  19 -13.810   1.852  13.526
  171   1HB   GLN  19          2HB       GLN  19 -15.850   3.480  12.006
  172   2HB   GLN  19          1HB       GLN  19 -16.172   2.337  13.302
  173   1HG   GLN  19          2HG       GLN  19 -14.481   4.007  14.559
  174   2HG   GLN  19          1HG       GLN  19 -15.230   5.120  13.417
  175   1HE2  GLN  19          1HE2      GLN  19 -15.469   3.790  16.424
  176   2HE2  GLN  19          2HE2      GLN  19 -17.142   4.085  16.735
  177    H    THR  20           H        THR  20 -14.186   2.755  10.137
  178    HA   THR  20           HA       THR  20 -14.080  -0.051   9.394
  179    HB   THR  20           HB       THR  20 -16.502   0.475   9.706
  180    HG1  THR  20           1HG      THR  20 -17.106  -0.414   7.716
  181   1HG2  THR  20          1HG2      THR  20 -16.170   2.877   8.751
  182   2HG2  THR  20          2HG2      THR  20 -17.672   1.999   8.464
  183   3HG2  THR  20          3HG2      THR  20 -16.443   2.080   7.203
  184    H    ILE  21           H        ILE  21 -13.935  -0.304   6.985
  185    HA   ILE  21           HA       ILE  21 -11.989   1.533   5.972
  186    HB   ILE  21           HB       ILE  21 -13.329  -0.867   4.723
  187   1HG1  ILE  21          2HG1      ILE  21 -11.018  -1.823   4.966
  188   2HG1  ILE  21          1HG1      ILE  21 -10.572  -0.378   5.866
  189   1HG2  ILE  21          1HG2      ILE  21 -11.134   0.868   3.600
  190   2HG2  ILE  21          2HG2      ILE  21 -12.749   0.640   2.933
  191   3HG2  ILE  21          3HG2      ILE  21 -11.606  -0.703   2.953
  192   1HD1  ILE  21          1HD1      ILE  21 -11.831  -0.968   7.692
  193   2HD1  ILE  21          2HD1      ILE  21 -11.271  -2.538   7.119
  194   3HD1  ILE  21          3HD1      ILE  21 -12.909  -1.999   6.752
  195    H    ASP  22           H        ASP  22 -15.414   1.031   5.523
  196    HA   ASP  22           HA       ASP  22 -15.854   2.322   3.109
  197   1HB   ASP  22          2HB       ASP  22 -17.470   1.779   5.533
  198   2HB   ASP  22          1HB       ASP  22 -18.069   3.051   4.472
  199    H    THR  23           H        THR  23 -15.807   3.743   6.377
  200    HA   THR  23           HA       THR  23 -16.086   6.417   5.383
  201    HB   THR  23           HB       THR  23 -15.831   5.096   8.023
  202    HG1  THR  23           1HG      THR  23 -17.801   5.892   7.028
  203   1HG2  THR  23          1HG2      THR  23 -15.463   7.215   9.207
  204   2HG2  THR  23          2HG2      THR  23 -15.052   7.980   7.672
  205   3HG2  THR  23          3HG2      THR  23 -14.045   6.678   8.308
  206    H    LEU  24           H        LEU  24 -13.454   4.301   6.290
  207    HA   LEU  24           HA       LEU  24 -11.418   6.265   6.432
  208   1HB   LEU  24          2HB       LEU  24 -11.587   3.557   6.910
  209   2HB   LEU  24          1HB       LEU  24 -10.573   3.629   5.482
  210    HG   LEU  24           HG       LEU  24 -10.032   5.137   8.031
  211   1HD1  LEU  24          1HD1      LEU  24  -9.466   3.107   8.808
  212   2HD1  LEU  24          2HD1      LEU  24  -8.033   3.321   7.803
  213   3HD1  LEU  24          3HD1      LEU  24  -9.406   2.395   7.196
  214   1HD2  LEU  24          1HD2      LEU  24  -9.103   5.634   5.493
  215   2HD2  LEU  24          2HD2      LEU  24  -7.830   4.636   6.193
  216   3HD2  LEU  24          3HD2      LEU  24  -8.323   6.129   6.994
  217    H    GLU  25           H        GLU  25 -12.779   4.367   3.819
  218    HA   GLU  25           HA       GLU  25 -10.868   4.850   1.844
  219   1HB   GLU  25          2HB       GLU  25 -12.806   3.273   1.666
  220   2HB   GLU  25          1HB       GLU  25 -13.856   4.661   1.417
  221   1HG   GLU  25          2HG       GLU  25 -13.497   4.262  -0.749
  222   2HG   GLU  25          1HG       GLU  25 -11.968   5.098  -0.475
  223    H    ARG  26           H        ARG  26 -13.419   6.863   3.115
  224    HA   ARG  26           HA       ARG  26 -13.420   8.833   1.089
  225   1HB   ARG  26          2HB       ARG  26 -15.246   8.673   2.686
  226   2HB   ARG  26          1HB       ARG  26 -14.151   9.014   4.019
  227   1HG   ARG  26          2HG       ARG  26 -14.005  11.249   3.509
  228   2HG   ARG  26          1HG       ARG  26 -14.415  10.997   1.810
  229   1HD   ARG  26          2HD       ARG  26 -16.668  10.916   2.224
  230   2HD   ARG  26          1HD       ARG  26 -16.452  10.335   3.875
  231    HE   ARG  26           HE       ARG  26 -15.522  13.023   3.466
  232   1HH1  ARG  26          1HH1      ARG  26 -18.291  11.037   4.219
  233   2HH1  ARG  26          2HH1      ARG  26 -19.140  12.310   5.030
  234   1HH2  ARG  26          1HH2      ARG  26 -16.638  14.698   4.532
  235   2HH2  ARG  26          2HH2      ARG  26 -18.202  14.389   5.207
  236    H    VAL  27           H        VAL  27 -11.468   8.310   3.963
  237    HA   VAL  27           HA       VAL  27 -10.147  10.857   3.747
  238    HB   VAL  27           HB       VAL  27 -10.489   9.631   5.931
  239   1HG1  VAL  27          1HG1      VAL  27  -8.720   7.715   4.598
  240   2HG1  VAL  27          2HG1      VAL  27  -9.833   7.493   5.944
  241   3HG1  VAL  27          3HG1      VAL  27  -8.224   8.149   6.232
  242   1HG2  VAL  27          1HG2      VAL  27  -7.918  10.111   6.530
  243   2HG2  VAL  27          2HG2      VAL  27  -9.114  11.384   6.285
  244   3HG2  VAL  27          3HG2      VAL  27  -8.023  10.936   4.974
  245    H    ILE  28           H        ILE  28  -9.638   7.629   2.562
  246    HA   ILE  28           HA       ILE  28  -6.894   7.711   2.031
  247    HB   ILE  28           HB       ILE  28  -9.012   6.365   0.344
  248   1HG1  ILE  28          2HG1      ILE  28  -9.238   5.611   2.619
  249   2HG1  ILE  28          1HG1      ILE  28  -8.438   4.343   1.701
  250   1HG2  ILE  28          1HG2      ILE  28  -6.418   5.070   0.559
  251   2HG2  ILE  28          2HG2      ILE  28  -6.322   6.667  -0.180
  252   3HG2  ILE  28          3HG2      ILE  28  -7.385   5.440  -0.868
  253   1HD1  ILE  28          1HD1      ILE  28  -7.143   4.351   3.562
  254   2HD1  ILE  28          2HD1      ILE  28  -7.392   6.070   3.867
  255   3HD1  ILE  28          3HD1      ILE  28  -6.274   5.552   2.606
  256    H    GLU  29           H        GLU  29  -9.656   8.913   0.202
  257    HA   GLU  29           HA       GLU  29  -8.100   9.738  -2.057
  258   1HB   GLU  29          2HB       GLU  29 -10.920   9.892  -1.210
  259   2HB   GLU  29          1HB       GLU  29 -10.384  11.220  -2.229
  260   1HG   GLU  29          2HG       GLU  29 -11.390   9.359  -3.490
  261   2HG   GLU  29          1HG       GLU  29  -9.728   9.705  -3.964
  262    H    LYS  30           H        LYS  30  -9.467  11.357   0.780
  263    HA   LYS  30           HA       LYS  30  -8.700  13.976   0.079
  264   1HB   LYS  30          2HB       LYS  30 -10.294  13.069   1.962
  265   2HB   LYS  30          1HB       LYS  30  -8.831  13.106   2.938
  266   1HG   LYS  30          2HG       LYS  30  -8.569  15.505   2.348
  267   2HG   LYS  30          1HG       LYS  30 -10.131  15.426   1.530
  268   1HD   LYS  30          2HD       LYS  30 -10.747  14.359   3.952
  269   2HD   LYS  30          1HD       LYS  30  -9.498  15.524   4.399
  270   1HE   LYS  30          2HE       LYS  30 -10.721  17.321   3.416
  271   2HE   LYS  30          1HE       LYS  30 -11.876  16.209   2.681
  272   1HZ   LYS  30          1HZ       LYS  30 -13.081  16.744   4.486
  273   2HZ   LYS  30          2HZ       LYS  30 -11.736  17.205   5.404
  274   3HZ   LYS  30          3HZ       LYS  30 -12.134  15.567   5.249
  275    H    ASN  31           H        ASN  31  -7.107  11.540   2.126
  276    HA   ASN  31           HA       ASN  31  -4.870  13.148   2.769
  277   1HB   ASN  31          2HB       ASN  31  -5.769  10.470   3.312
  278   2HB   ASN  31          1HB       ASN  31  -4.067  10.441   2.865
  279   1HD2  ASN  31          1HD2      ASN  31  -2.610  10.984   4.342
  280   2HD2  ASN  31          2HD2      ASN  31  -2.960  11.688   5.880
  281    H    LYS  32           H        LYS  32  -5.605  11.036   0.084
  282    HA   LYS  32           HA       LYS  32  -3.036  10.648  -0.942
  283   1HB   LYS  32          2HB       LYS  32  -5.788  10.442  -1.946
  284   2HB   LYS  32          1HB       LYS  32  -4.600  10.791  -3.194
  285   1HG   LYS  32          2HG       LYS  32  -3.282   8.824  -2.154
  286   2HG   LYS  32          1HG       LYS  32  -4.830   8.396  -1.424
  287   1HD   LYS  32          2HD       LYS  32  -5.862   8.192  -3.573
  288   2HD   LYS  32          1HD       LYS  32  -4.440   8.859  -4.377
  289   1HE   LYS  32          2HE       LYS  32  -3.936   6.490  -2.710
  290   2HE   LYS  32          1HE       LYS  32  -4.963   6.208  -4.115
  291   1HZ   LYS  32          1HZ       LYS  32  -3.000   5.970  -5.147
  292   2HZ   LYS  32          2HZ       LYS  32  -2.141   6.848  -3.985
  293   3HZ   LYS  32          3HZ       LYS  32  -3.002   7.662  -5.192
  294    H    TYR  33           H        TYR  33  -5.317  13.307  -1.398
  295    HA   TYR  33           HA       TYR  33  -3.355  14.716  -3.055
  296   1HB   TYR  33          2HB       TYR  33  -6.033  14.469  -3.381
  297   2HB   TYR  33          1HB       TYR  33  -5.963  15.989  -2.496
  298    HD1  TYR  33           1HD      TYR  33  -6.024  17.859  -3.829
  299    HD2  TYR  33           2HD      TYR  33  -4.038  14.388  -5.283
  300    HE1  TYR  33           1HE      TYR  33  -5.479  19.050  -5.910
  301    HE2  TYR  33           2HE      TYR  33  -3.487  15.571  -7.367
  302    HH   TYR  33           HH       TYR  33  -3.269  18.436  -7.856
  303    H    GLU  34           H        GLU  34  -3.976  14.428   0.153
  304    HA   GLU  34           HA       GLU  34  -3.882  17.198   0.914
  305   1HB   GLU  34          2HB       GLU  34  -4.770  15.012   2.190
  306   2HB   GLU  34          1HB       GLU  34  -3.152  15.089   2.870
  307   1HG   GLU  34          2HG       GLU  34  -3.539  17.242   3.776
  308   2HG   GLU  34          1HG       GLU  34  -5.040  17.424   2.870
  309    H    LEU  35           H        LEU  35  -1.634  14.542   1.728
  310    HA   LEU  35           HA       LEU  35   0.498  16.373   2.210
  311   1HB   LEU  35          2HB       LEU  35   1.790  14.549   2.836
  312   2HB   LEU  35          1HB       LEU  35   0.181  14.112   3.310
  313    HG   LEU  35           HG       LEU  35   2.022  12.747   1.546
  314   1HD1  LEU  35          1HD1      LEU  35   0.580  12.069   3.632
  315   2HD1  LEU  35          2HD1      LEU  35   1.016  10.902   2.387
  316   3HD1  LEU  35          3HD1      LEU  35  -0.589  11.632   2.389
  317   1HD2  LEU  35          1HD2      LEU  35  -0.599  13.551   0.409
  318   2HD2  LEU  35          2HD2      LEU  35  -0.063  11.890   0.168
  319   3HD2  LEU  35          3HD2      LEU  35   0.939  13.229  -0.389
  320    H    SER  36           H        SER  36   2.621  14.828   1.102
  321    HA   SER  36           HA       SER  36   2.366  15.527  -1.745
  322   1HB   SER  36          2HB       SER  36   3.887  17.057  -0.517
  323   2HB   SER  36          1HB       SER  36   4.864  15.670  -0.035
  324    HG   SER  36           HG       SER  36   4.338  16.395  -2.727
  325    H    ASP  37           H        ASP  37   4.431  14.402  -2.885
  326    HA   ASP  37           HA       ASP  37   3.836  11.670  -2.972
  327   1HB   ASP  37          2HB       ASP  37   5.979  11.499  -4.295
  328   2HB   ASP  37          1HB       ASP  37   4.830  12.693  -4.890
  329    H    ASN  38           H        ASN  38   5.996  13.471  -0.936
  330    HA   ASN  38           HA       ASN  38   7.677  11.297  -0.208
  331   1HB   ASN  38          2HB       ASN  38   8.082  13.852   0.014
  332   2HB   ASN  38          1HB       ASN  38   7.235  13.683   1.549
  333   1HD2  ASN  38          1HD2      ASN  38   8.074  11.872   2.951
  334   2HD2  ASN  38          2HD2      ASN  38   9.790  11.698   3.045
  335    H    GLU  39           H        GLU  39   4.903  12.830   1.469
  336    HA   GLU  39           HA       GLU  39   5.041  10.857   3.569
  337   1HB   GLU  39          2HB       GLU  39   2.544  12.354   3.431
  338   2HB   GLU  39          1HB       GLU  39   3.702  12.225   4.738
  339   1HG   GLU  39          2HG       GLU  39   5.123  13.863   3.365
  340   2HG   GLU  39          1HG       GLU  39   3.634  14.171   2.472
  341    H    LEU  40           H        LEU  40   3.318  11.325   0.592
  342    HA   LEU  40           HA       LEU  40   1.171   9.586   0.952
  343   1HB   LEU  40          2HB       LEU  40   1.362  11.085  -0.945
  344   2HB   LEU  40          1HB       LEU  40   2.735  10.185  -1.555
  345    HG   LEU  40           HG       LEU  40   0.323   8.560  -1.163
  346   1HD1  LEU  40          1HD1      LEU  40  -0.631  10.753  -1.884
  347   2HD1  LEU  40          2HD1      LEU  40  -0.925   9.422  -3.002
  348   3HD1  LEU  40          3HD1      LEU  40   0.322  10.616  -3.361
  349   1HD2  LEU  40          1HD2      LEU  40   1.172   7.385  -2.896
  350   2HD2  LEU  40          2HD2      LEU  40   2.654   8.233  -2.450
  351   3HD2  LEU  40          3HD2      LEU  40   1.661   8.831  -3.779
  352    H    ALA  41           H        ALA  41   4.539   8.943   0.224
  353    HA   ALA  41           HA       ALA  41   4.346   6.296  -0.646
  354   1HB   ALA  41          1HB       ALA  41   6.456   7.390  -0.798
  355   2HB   ALA  41          2HB       ALA  41   6.660   6.052   0.333
  356   3HB   ALA  41          3HB       ALA  41   6.494   7.701   0.938
  357    H    VAL  42           H        VAL  42   4.237   7.735   2.532
  358    HA   VAL  42           HA       VAL  42   4.237   5.249   3.967
  359    HB   VAL  42           HB       VAL  42   3.435   8.017   4.893
  360   1HG1  VAL  42          1HG1      VAL  42   2.978   7.169   6.903
  361   2HG1  VAL  42          2HG1      VAL  42   4.458   6.213   6.915
  362   3HG1  VAL  42          3HG1      VAL  42   3.004   5.575   6.148
  363   1HG2  VAL  42          1HG2      VAL  42   6.045   6.678   4.565
  364   2HG2  VAL  42          2HG2      VAL  42   5.807   7.573   6.066
  365   3HG2  VAL  42          3HG2      VAL  42   5.631   8.391   4.513
  366    H    PHE  43           H        PHE  43   1.864   7.423   2.577
  367    HA   PHE  43           HA       PHE  43  -0.382   6.274   3.940
  368   1HB   PHE  43          2HB       PHE  43  -0.154   8.625   2.861
  369   2HB   PHE  43          1HB       PHE  43  -0.569   7.803   1.361
  370    HD1  PHE  43           1HD      PHE  43  -1.790   7.823   4.893
  371    HD2  PHE  43           2HD      PHE  43  -2.761   7.955   0.752
  372    HE1  PHE  43           1HE      PHE  43  -4.177   7.996   5.463
  373    HE2  PHE  43           2HE      PHE  43  -5.147   8.128   1.313
  374    HZ   PHE  43           HZ       PHE  43  -5.860   8.150   3.672
  375    H    TYR  44           H        TYR  44   1.094   5.889   0.751
  376    HA   TYR  44           HA       TYR  44  -0.855   4.198  -0.360
  377   1HB   TYR  44          2HB       TYR  44   1.223   5.415  -1.428
  378   2HB   TYR  44          1HB       TYR  44   2.035   3.892  -1.080
  379    HD1  TYR  44           1HD      TYR  44  -0.757   5.431  -2.955
  380    HD2  TYR  44           2HD      TYR  44   1.656   1.969  -2.418
  381    HE1  TYR  44           1HE      TYR  44  -1.676   4.477  -5.027
  382    HE2  TYR  44           2HE      TYR  44   0.745   1.005  -4.489
  383    HH   TYR  44           HH       TYR  44  -1.992   2.154  -6.003
  384    H    SER  45           H        SER  45   2.181   3.442   1.331
  385    HA   SER  45           HA       SER  45   2.010   0.656   1.140
  386   1HB   SER  45          2HB       SER  45   3.567   0.631   3.079
  387   2HB   SER  45          1HB       SER  45   4.073   1.754   1.818
  388    HG   SER  45           HG       SER  45   4.163   2.605   3.996
  389    H    ALA  46           H        ALA  46   0.604   2.916   3.434
  390    HA   ALA  46           HA       ALA  46  -0.350   0.877   5.213
  391   1HB   ALA  46          1HB       ALA  46  -1.675   2.802   6.189
  392   2HB   ALA  46          2HB       ALA  46  -0.884   3.827   4.992
  393   3HB   ALA  46          3HB       ALA  46   0.079   2.976   6.200
  394    H    ALA  47           H        ALA  47  -1.590   2.561   2.422
  395    HA   ALA  47           HA       ALA  47  -4.326   1.811   2.832
  396   1HB   ALA  47          1HB       ALA  47  -4.277   2.433   0.229
  397   2HB   ALA  47          2HB       ALA  47  -2.784   3.222   0.741
  398   3HB   ALA  47          3HB       ALA  47  -4.315   3.647   1.508
  399    H    ASP  48           H        ASP  48  -1.798   0.745   0.553
  400    HA   ASP  48           HA       ASP  48  -3.271  -1.287  -0.672
  401   1HB   ASP  48          2HB       ASP  48  -0.408  -0.580  -0.438
  402   2HB   ASP  48          1HB       ASP  48  -0.749  -2.258  -0.846
  403    H    HIS  49           H        HIS  49  -1.141  -1.399   2.163
  404    HA   HIS  49           HA       HIS  49  -1.229  -4.154   2.612
  405   1HB   HIS  49          2HB       HIS  49  -0.542  -1.759   4.193
  406   2HB   HIS  49          1HB       HIS  49  -1.017  -3.166   5.140
  407    HD1  HIS  49           1HD      HIS  49   1.166  -3.997   6.006
  408    HD2  HIS  49           2HD      HIS  49   1.289  -3.213   1.928
  409    HE1  HIS  49           1HE      HIS  49   3.411  -4.822   5.231
  410    HE2  HIS  49           2HE      HIS  49   3.429  -4.415   2.745
  411    H    ARG  50           H        ARG  50  -3.293  -1.578   3.943
  412    HA   ARG  50           HA       ARG  50  -4.925  -3.242   5.504
  413   1HB   ARG  50          2HB       ARG  50  -5.318  -0.520   4.295
  414   2HB   ARG  50          1HB       ARG  50  -6.613  -1.306   5.185
  415   1HG   ARG  50          2HG       ARG  50  -3.871  -0.795   6.312
  416   2HG   ARG  50          1HG       ARG  50  -5.250   0.287   6.525
  417   1HD   ARG  50          2HD       ARG  50  -6.329  -1.143   7.942
  418   2HD   ARG  50          1HD       ARG  50  -5.609  -2.579   7.217
  419    HE   ARG  50           HE       ARG  50  -3.758  -0.892   8.653
  420   1HH1  ARG  50          1HH1      ARG  50  -5.962  -3.593   8.852
  421   2HH1  ARG  50          2HH1      ARG  50  -5.205  -4.268  10.255
  422   1HH2  ARG  50          1HH2      ARG  50  -2.764  -1.779  10.499
  423   2HH2  ARG  50          2HH2      ARG  50  -3.390  -3.238  11.191
  424    H    LEU  51           H        LEU  51  -5.295  -2.088   2.172
  425    HA   LEU  51           HA       LEU  51  -7.809  -3.326   1.734
  426   1HB   LEU  51          2HB       LEU  51  -6.066  -1.633   0.306
  427   2HB   LEU  51          1HB       LEU  51  -6.293  -3.053  -0.696
  428    HG   LEU  51           HG       LEU  51  -8.856  -2.575  -0.060
  429   1HD1  LEU  51          1HD1      LEU  51  -8.893  -0.653   1.136
  430   2HD1  LEU  51          2HD1      LEU  51  -8.884   0.061  -0.476
  431   3HD1  LEU  51          3HD1      LEU  51  -7.384  -0.061   0.443
  432   1HD2  LEU  51          1HD2      LEU  51  -9.104  -1.640  -2.231
  433   2HD2  LEU  51          2HD2      LEU  51  -7.764  -2.783  -2.312
  434   3HD2  LEU  51          3HD2      LEU  51  -7.442  -1.050  -2.237
  435    H    ALA  52           H        ALA  52  -4.504  -4.404   1.469
  436    HA   ALA  52           HA       ALA  52  -4.891  -6.669  -0.146
  437   1HB   ALA  52          1HB       ALA  52  -2.684  -6.697   0.040
  438   2HB   ALA  52          2HB       ALA  52  -2.831  -7.213   1.721
  439   3HB   ALA  52          3HB       ALA  52  -2.764  -5.495   1.328
  440    H    GLU  53           H        GLU  53  -4.791  -6.372   3.405
  441    HA   GLU  53           HA       GLU  53  -5.348  -9.083   3.930
  442   1HB   GLU  53          2HB       GLU  53  -6.056  -8.205   6.206
  443   2HB   GLU  53          1HB       GLU  53  -4.415  -7.827   5.700
  444   1HG   GLU  53          2HG       GLU  53  -4.991  -5.584   5.204
  445   2HG   GLU  53          1HG       GLU  53  -6.714  -5.925   5.351
  446    H    LEU  54           H        LEU  54  -7.394  -6.344   3.229
  447    HA   LEU  54           HA       LEU  54  -9.841  -7.344   4.161
  448   1HB   LEU  54          2HB       LEU  54  -8.928  -5.179   2.464
  449   2HB   LEU  54          1HB       LEU  54 -10.421  -5.870   1.859
  450    HG   LEU  54           HG       LEU  54 -11.504  -5.463   4.016
  451   1HD1  LEU  54          1HD1      LEU  54 -10.042  -5.514   5.738
  452   2HD1  LEU  54          2HD1      LEU  54 -10.022  -3.772   5.464
  453   3HD1  LEU  54          3HD1      LEU  54  -8.739  -4.785   4.801
  454   1HD2  LEU  54          1HD2      LEU  54 -10.249  -2.847   3.414
  455   2HD2  LEU  54          2HD2      LEU  54 -11.950  -3.277   3.586
  456   3HD2  LEU  54          3HD2      LEU  54 -11.088  -3.671   2.099
  457    H    THR  55           H        THR  55  -8.076  -7.890   1.179
  458    HA   THR  55           HA       THR  55 -10.215  -9.344  -0.080
  459    HB   THR  55           HB       THR  55  -7.283  -9.143  -0.802
  460    HG1  THR  55           1HG      THR  55  -8.006  -7.172  -1.169
  461   1HG2  THR  55          1HG2      THR  55  -9.607 -10.352  -2.231
  462   2HG2  THR  55          2HG2      THR  55  -7.967 -10.968  -2.030
  463   3HG2  THR  55          3HG2      THR  55  -8.275  -9.627  -3.132
  464    H    MET  56           H        MET  56  -7.312 -10.111   1.742
  465    HA   MET  56           HA       MET  56  -7.802 -12.981   1.431
  466   1HB   MET  56          2HB       MET  56  -5.512 -11.386   2.555
  467   2HB   MET  56          1HB       MET  56  -5.638 -13.123   2.781
  468   1HG   MET  56          2HG       MET  56  -4.389 -13.172   0.918
  469   2HG   MET  56          1HG       MET  56  -5.956 -13.004   0.127
  470   1HE   MET  56          1HE       MET  56  -2.311 -11.010   0.026
  471   2HE   MET  56          2HE       MET  56  -2.959 -11.163  -1.607
  472   3HE   MET  56          3HE       MET  56  -2.974 -12.550  -0.519
  473    H    ASN  57           H        ASN  57  -9.405 -11.018   3.114
  474    HA   ASN  57           HA       ASN  57 -10.655 -11.260   5.000
  475   1HB   ASN  57          2HB       ASN  57  -9.628 -13.821   4.709
  476   2HB   ASN  57          1HB       ASN  57  -9.170 -13.371   6.349
  477   1HD2  ASN  57          1HD2      ASN  57 -11.532 -14.724   4.495
  478   2HD2  ASN  57          2HD2      ASN  57 -12.874 -14.544   5.569
  479    H    LYS  58           H        LYS  58  -7.330 -12.170   5.920
  480    HA   LYS  58           HA       LYS  58  -6.914  -9.649   7.236
  481   1HB   LYS  58          2HB       LYS  58  -7.475 -12.144   8.799
  482   2HB   LYS  58          1HB       LYS  58  -6.396 -10.921   9.453
  483   1HG   LYS  58          2HG       LYS  58  -9.309 -10.630   8.768
  484   2HG   LYS  58          1HG       LYS  58  -8.553 -10.533  10.357
  485   1HD   LYS  58          2HD       LYS  58  -8.294  -8.575   8.079
  486   2HD   LYS  58          1HD       LYS  58  -9.062  -8.307   9.643
  487   1HE   LYS  58          2HE       LYS  58  -6.129  -8.875   9.226
  488   2HE   LYS  58          1HE       LYS  58  -6.824  -7.274   9.478
  489   1HZ   LYS  58          1HZ       LYS  58  -7.768  -8.311  11.612
  490   2HZ   LYS  58          2HZ       LYS  58  -6.129  -7.896  11.579
  491   3HZ   LYS  58          3HZ       LYS  58  -6.595  -9.510  11.386
  492    H    LEU  59           H        LEU  59  -5.551 -10.963   5.165
  493    HA   LEU  59           HA       LEU  59  -3.019 -11.657   6.504
  494   1HB   LEU  59          2HB       LEU  59  -3.918 -13.587   5.351
  495   2HB   LEU  59          1HB       LEU  59  -4.107 -12.660   3.877
  496    HG   LEU  59           HG       LEU  59  -2.126 -14.276   4.028
  497   1HD1  LEU  59          1HD1      LEU  59  -0.998 -13.046   2.471
  498   2HD1  LEU  59          2HD1      LEU  59  -1.156 -11.542   3.380
  499   3HD1  LEU  59          3HD1      LEU  59  -2.534 -12.180   2.484
  500   1HD2  LEU  59          1HD2      LEU  59  -1.114 -12.040   5.778
  501   2HD2  LEU  59          2HD2      LEU  59  -0.096 -13.284   5.052
  502   3HD2  LEU  59          3HD2      LEU  59  -1.331 -13.731   6.230
  503    H    TYR  60           H        TYR  60  -1.522 -10.150   6.282
  504    HA   TYR  60           HA       TYR  60  -1.293  -8.746   3.723
  505   1HB   TYR  60          2HB       TYR  60  -1.224  -6.618   4.647
  506   2HB   TYR  60          1HB       TYR  60  -2.477  -7.395   5.604
  507    HD1  TYR  60           1HD      TYR  60   1.069  -6.362   5.602
  508    HD2  TYR  60           2HD      TYR  60  -2.236  -7.641   7.953
  509    HE1  TYR  60           1HE      TYR  60   2.310  -5.786   7.648
  510    HE2  TYR  60           2HE      TYR  60  -1.008  -7.067  10.007
  511    HH   TYR  60           HH       TYR  60   0.831  -5.614  10.707
  512    H    ASP  61           H        ASP  61   0.829  -7.716   3.418
  513    HA   ASP  61           HA       ASP  61   3.111  -7.521   3.686
  514   1HB   ASP  61          2HB       ASP  61   2.530  -8.304   6.197
  515   2HB   ASP  61          1HB       ASP  61   3.388  -9.738   5.639
  516    H    LYS  62           H        LYS  62   1.473 -10.597   3.476
  517    HA   LYS  62           HA       LYS  62   3.672 -11.617   1.805
  518   1HB   LYS  62          2HB       LYS  62   1.749 -12.952   3.655
  519   2HB   LYS  62          1HB       LYS  62   2.302 -13.846   2.245
  520   1HG   LYS  62          2HG       LYS  62   4.439 -14.016   3.015
  521   2HG   LYS  62          1HG       LYS  62   4.343 -12.516   3.940
  522   1HD   LYS  62          2HD       LYS  62   3.138 -13.549   5.683
  523   2HD   LYS  62          1HD       LYS  62   2.780 -14.969   4.699
  524   1HE   LYS  62          2HE       LYS  62   4.726 -15.950   5.207
  525   2HE   LYS  62          1HE       LYS  62   5.636 -14.454   5.000
  526   1HZ   LYS  62          1HZ       LYS  62   3.948 -14.600   7.360
  527   2HZ   LYS  62          2HZ       LYS  62   5.507 -13.970   7.180
  528   3HZ   LYS  62          3HZ       LYS  62   5.285 -15.638   7.348
  529    H    ILE  63           H        ILE  63   1.450  -9.804   1.023
  530    HA   ILE  63           HA       ILE  63  -0.416 -11.304  -0.521
  531    HB   ILE  63           HB       ILE  63   0.340  -8.412  -0.921
  532   1HG1  ILE  63          2HG1      ILE  63  -2.062  -8.646   0.567
  533   2HG1  ILE  63          1HG1      ILE  63  -0.870  -9.673   1.359
  534   1HG2  ILE  63          1HG2      ILE  63  -1.348  -8.291  -2.371
  535   2HG2  ILE  63          2HG2      ILE  63  -2.435  -9.177  -1.303
  536   3HG2  ILE  63          3HG2      ILE  63  -1.340 -10.054  -2.372
  537   1HD1  ILE  63          1HD1      ILE  63  -0.588  -6.742   0.742
  538   2HD1  ILE  63          2HD1      ILE  63   0.674  -7.755   1.445
  539   3HD1  ILE  63          3HD1      ILE  63  -0.827  -7.474   2.330
  540    HA   PRO  64           HA       PRO  64   2.500 -12.043  -3.865
  541   1HB   PRO  64          2HB       PRO  64   0.905 -13.621  -5.356
  542   2HB   PRO  64          1HB       PRO  64   1.675 -14.199  -3.875
  543   1HG   PRO  64          2HG       PRO  64  -1.128 -13.242  -4.303
  544   2HG   PRO  64          1HG       PRO  64  -0.554 -14.642  -3.379
  545   1HD   PRO  64          2HD       PRO  64  -1.249 -12.270  -2.226
  546   2HD   PRO  64          1HD       PRO  64  -0.030 -13.369  -1.539
  547    H    SER  65           H        SER  65   1.857 -12.270  -6.455
  548    HA   SER  65           HA       SER  65   0.932  -9.589  -7.110
  549   1HB   SER  65          2HB       SER  65   2.140 -11.708  -8.903
  550   2HB   SER  65          1HB       SER  65   1.856 -10.021  -9.332
  551    HG   SER  65           HG       SER  65   3.624 -11.005  -7.341
  552    H    SER  66           H        SER  66  -0.106 -12.892  -7.368
  553    HA   SER  66           HA       SER  66  -2.036 -12.516  -9.419
  554   1HB   SER  66          2HB       SER  66  -2.860 -14.713  -8.801
  555   2HB   SER  66          1HB       SER  66  -1.097 -14.733  -8.779
  556    HG   SER  66           HG       SER  66  -1.675 -15.676  -6.902
  557    H    VAL  67           H        VAL  67  -2.250 -12.586  -5.872
  558    HA   VAL  67           HA       VAL  67  -5.038 -12.235  -5.713
  559    HB   VAL  67           HB       VAL  67  -2.979 -11.347  -3.688
  560   1HG1  VAL  67          1HG1      VAL  67  -4.800 -10.516  -2.681
  561   2HG1  VAL  67          2HG1      VAL  67  -5.189 -12.198  -2.319
  562   3HG1  VAL  67          3HG1      VAL  67  -5.903 -11.410  -3.727
  563   1HG2  VAL  67          1HG2      VAL  67  -2.775 -13.473  -2.922
  564   2HG2  VAL  67          2HG2      VAL  67  -3.140 -13.853  -4.606
  565   3HG2  VAL  67          3HG2      VAL  67  -4.418 -13.916  -3.391
  566    H    TRP  68           H        TRP  68  -2.421  -9.836  -5.314
  567    HA   TRP  68           HA       TRP  68  -4.055  -7.593  -5.046
  568   1HB   TRP  68          2HB       TRP  68  -1.266  -8.119  -5.324
  569   2HB   TRP  68          1HB       TRP  68  -1.686  -6.832  -6.447
  570    HD1  TRP  68           HD       TRP  68   0.007  -6.664  -3.578
  571    HE1  TRP  68           1HE      TRP  68  -0.706  -4.816  -1.939
  572    HE3  TRP  68           3HE      TRP  68  -4.692  -5.741  -5.376
  573    HZ2  TRP  68           2HZ      TRP  68  -2.957  -3.183  -1.465
  574    HZ3  TRP  68           3HZ      TRP  68  -6.058  -4.020  -4.272
  575    HH2  TRP  68           HH       TRP  68  -5.208  -2.768  -2.356
  576    H    LYS  69           H        LYS  69  -2.932  -9.276  -7.908
  577    HA   LYS  69           HA       LYS  69  -3.693  -7.296  -9.793
  578   1HB   LYS  69          2HB       LYS  69  -2.094  -9.125 -10.280
  579   2HB   LYS  69          1HB       LYS  69  -3.416 -10.280 -10.195
  580   1HG   LYS  69          2HG       LYS  69  -3.867  -9.943 -12.333
  581   2HG   LYS  69          1HG       LYS  69  -4.154  -8.231 -12.016
  582   1HD   LYS  69          2HD       LYS  69  -2.462  -8.312 -13.665
  583   2HD   LYS  69          1HD       LYS  69  -1.643  -7.924 -12.151
  584   1HE   LYS  69          2HE       LYS  69  -1.853 -10.791 -12.667
  585   2HE   LYS  69          1HE       LYS  69  -0.931  -9.921 -13.893
  586   1HZ   LYS  69          1HZ       LYS  69  -0.305  -9.235 -11.146
  587   2HZ   LYS  69          2HZ       LYS  69   0.727  -9.493 -12.460
  588   3HZ   LYS  69          3HZ       LYS  69   0.106 -10.813 -11.604
  589    H    PHE  70           H        PHE  70  -5.399  -9.869  -8.169
  590    HA   PHE  70           HA       PHE  70  -7.673  -9.865  -9.901
  591   1HB   PHE  70          2HB       PHE  70  -7.049 -11.804  -8.480
  592   2HB   PHE  70          1HB       PHE  70  -7.455 -10.859  -7.051
  593    HD1  PHE  70           1HD      PHE  70  -8.770 -12.664  -9.941
  594    HD2  PHE  70           2HD      PHE  70  -9.756 -10.385  -6.485
  595    HE1  PHE  70           1HE      PHE  70 -11.106 -13.417 -10.116
  596    HE2  PHE  70           2HE      PHE  70 -12.094 -11.134  -6.653
  597    HZ   PHE  70           HZ       PHE  70 -12.772 -12.652  -8.470
  598    H    ILE  71           H        ILE  71  -7.044  -8.529  -6.663
  599    HA   ILE  71           HA       ILE  71  -9.546  -7.043  -6.765
  600    HB   ILE  71           HB       ILE  71  -8.806  -8.213  -4.678
  601   1HG1  ILE  71          2HG1      ILE  71 -10.426  -6.275  -4.753
  602   2HG1  ILE  71          1HG1      ILE  71  -9.627  -6.528  -3.206
  603   1HG2  ILE  71          1HG2      ILE  71  -6.830  -5.968  -4.368
  604   2HG2  ILE  71          2HG2      ILE  71  -6.390  -7.571  -4.957
  605   3HG2  ILE  71          3HG2      ILE  71  -7.050  -7.378  -3.333
  606   1HD1  ILE  71          1HD1      ILE  71  -9.544  -4.242  -3.462
  607   2HD1  ILE  71          2HD1      ILE  71  -9.241  -4.340  -5.196
  608   3HD1  ILE  71          3HD1      ILE  71  -7.960  -4.741  -4.053
  609    H    ARG  72           H        ARG  72  -9.631  -5.079  -7.610
  610    HA   ARG  72           HA       ARG  72  -7.421  -3.222  -7.188
  611   1HB   ARG  72          2HB       ARG  72  -8.447  -4.099  -9.877
  612   2HB   ARG  72          1HB       ARG  72  -7.693  -2.526  -9.657
  613   1HG   ARG  72          2HG       ARG  72  -6.032  -4.518  -8.472
  614   2HG   ARG  72          1HG       ARG  72  -6.449  -5.012 -10.113
  615   1HD   ARG  72          2HD       ARG  72  -5.349  -3.260 -11.067
  616   2HD   ARG  72          1HD       ARG  72  -5.645  -2.188  -9.699
  617    HE   ARG  72           HE       ARG  72  -3.666  -2.871  -8.777
  618   1HH1  ARG  72          1HH1      ARG  72  -4.564  -5.106 -11.302
  619   2HH1  ARG  72          2HH1      ARG  72  -3.058  -5.962 -11.252
  620   1HH2  ARG  72          1HH2      ARG  72  -1.685  -3.993  -8.712
  621   2HH2  ARG  72          2HH2      ARG  72  -1.425  -5.329  -9.782
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1  13.322   0.048  14.226
    2   2H    MET   1          2HT       MET   1  13.034   0.605  12.629
    3   3H    MET   1          3HT       MET   1  11.767   0.616  13.785
    4    HA   MET   1           HA       MET   1  13.179   2.141  15.124
    5   1HB   MET   1          2HB       MET   1  14.558   2.428  12.447
    6   2HB   MET   1          1HB       MET   1  14.916   3.329  13.914
    7   1HG   MET   1          2HG       MET   1  15.230   0.782  14.779
    8   2HG   MET   1          1HG       MET   1  15.737   0.636  13.097
    9   1HE   MET   1          1HE       MET   1  17.887   2.056  12.065
   10   2HE   MET   1          2HE       MET   1  18.516   3.446  12.951
   11   3HE   MET   1          3HE       MET   1  16.826   3.412  12.448
   12    H    SER   2           H        SER   2  12.090   4.010  15.291
   13    HA   SER   2           HA       SER   2  10.541   4.901  12.948
   14   1HB   SER   2          2HB       SER   2   9.005   4.148  14.611
   15   2HB   SER   2          1HB       SER   2   9.873   4.992  15.892
   16    HG   SER   2           HG       SER   2   8.640   6.629  15.489
   17    H    GLU   3           H        GLU   3  11.178   6.765  12.114
   18    HA   GLU   3           HA       GLU   3  13.021   8.475  13.501
   19   1HB   GLU   3          2HB       GLU   3  12.791   9.891  11.419
   20   2HB   GLU   3          1HB       GLU   3  13.367   8.250  11.162
   21   1HG   GLU   3          2HG       GLU   3  11.310   7.551  10.273
   22   2HG   GLU   3          1HG       GLU   3  10.477   8.988  10.862
   23    H    LYS   4           H        LYS   4  12.502  10.985  13.120
   24    HA   LYS   4           HA       LYS   4  10.532  11.656  14.992
   25   1HB   LYS   4          2HB       LYS   4  12.487  13.035  13.404
   26   2HB   LYS   4          1HB       LYS   4  10.967  13.917  13.341
   27   1HG   LYS   4          2HG       LYS   4  11.120  13.403  15.985
   28   2HG   LYS   4          1HG       LYS   4  12.832  13.514  15.576
   29   1HD   LYS   4          2HD       LYS   4  12.472  15.706  14.583
   30   2HD   LYS   4          1HD       LYS   4  10.743  15.590  14.916
   31   1HE   LYS   4          2HE       LYS   4  11.017  16.271  17.021
   32   2HE   LYS   4          1HE       LYS   4  12.331  15.128  17.295
   33   1HZ   LYS   4          1HZ       LYS   4  13.566  16.926  15.786
   34   2HZ   LYS   4          2HZ       LYS   4  13.516  17.017  17.473
   35   3HZ   LYS   4          3HZ       LYS   4  12.439  17.934  16.546
   36    HA   PRO   5           HA       PRO   5   7.844  13.077  11.149
   37   1HB   PRO   5          2HB       PRO   5   8.915  11.251   9.078
   38   2HB   PRO   5          1HB       PRO   5   8.454  12.951   8.949
   39   1HG   PRO   5          2HG       PRO   5  11.022  12.211   8.935
   40   2HG   PRO   5          1HG       PRO   5  10.495  13.704   9.738
   41   1HD   PRO   5          2HD       PRO   5  11.206  11.054  10.935
   42   2HD   PRO   5          1HD       PRO   5  11.572  12.691  11.518
   43    H    LEU   6           H        LEU   6   6.643  11.358   9.318
   44    HA   LEU   6           HA       LEU   6   5.556   9.332  11.129
   45   1HB   LEU   6          2HB       LEU   6   4.516  10.435   8.519
   46   2HB   LEU   6          1HB       LEU   6   3.716   9.189   9.456
   47    HG   LEU   6           HG       LEU   6   2.630  11.283   9.887
   48   1HD1  LEU   6          1HD1      LEU   6   3.483   9.616  11.819
   49   2HD1  LEU   6          2HD1      LEU   6   2.459  11.021  12.118
   50   3HD1  LEU   6          3HD1      LEU   6   4.201  11.129  12.374
   51   1HD2  LEU   6          1HD2      LEU   6   3.695  13.260  10.538
   52   2HD2  LEU   6          2HD2      LEU   6   4.714  12.622   9.249
   53   3HD2  LEU   6          3HD2      LEU   6   5.200  12.427  10.933
   54    H    THR   7           H        THR   7   6.341   7.345  10.978
   55    HA   THR   7           HA       THR   7   7.724   6.469   8.593
   56    HB   THR   7           HB       THR   7   8.211   4.434   9.909
   57    HG1  THR   7           1HG      THR   7   6.788   5.696  12.006
   58   1HG2  THR   7          1HG2      THR   7   9.937   5.688  10.535
   59   2HG2  THR   7          2HG2      THR   7   9.059   5.900  12.049
   60   3HG2  THR   7          3HG2      THR   7   8.932   7.116  10.778
   61    H    LYS   8           H        LYS   8   7.280   3.999   8.069
   62    HA   LYS   8           HA       LYS   8   4.823   3.886   6.746
   63   1HB   LYS   8          2HB       LYS   8   7.139   2.227   7.024
   64   2HB   LYS   8          1HB       LYS   8   5.703   1.226   7.195
   65   1HG   LYS   8          2HG       LYS   8   6.103   1.148   4.927
   66   2HG   LYS   8          1HG       LYS   8   4.898   2.430   5.053
   67   1HD   LYS   8          2HD       LYS   8   6.329   3.681   3.874
   68   2HD   LYS   8          1HD       LYS   8   7.279   3.781   5.356
   69   1HE   LYS   8          2HE       LYS   8   7.611   1.532   3.392
   70   2HE   LYS   8          1HE       LYS   8   8.491   3.050   3.233
   71   1HZ   LYS   8          1HZ       LYS   8   8.553   1.506   5.749
   72   2HZ   LYS   8          2HZ       LYS   8   9.647   2.673   5.198
   73   3HZ   LYS   8          3HZ       LYS   8   9.608   1.144   4.476
   74    H    THR   9           H        THR   9   5.780   2.731   9.918
   75    HA   THR   9           HA       THR   9   3.322   1.303  10.365
   76    HB   THR   9           HB       THR   9   5.472   0.635  11.419
   77    HG1  THR   9           1HG      THR   9   4.425  -0.105  13.103
   78   1HG2  THR   9          1HG2      THR   9   6.371   2.843  11.952
   79   2HG2  THR   9          2HG2      THR   9   6.291   1.802  13.374
   80   3HG2  THR   9          3HG2      THR   9   5.089   3.073  13.141
   81    H    ASP  10           H        ASP  10   4.618   4.471  11.143
   82    HA   ASP  10           HA       ASP  10   2.825   5.296  13.091
   83   1HB   ASP  10          2HB       ASP  10   4.418   6.726  11.003
   84   2HB   ASP  10          1HB       ASP  10   3.224   7.630  11.930
   85    H    TYR  11           H        TYR  11   2.539   5.661   9.559
   86    HA   TYR  11           HA       TYR  11  -0.113   6.744   9.740
   87   1HB   TYR  11          2HB       TYR  11   1.824   6.151   7.603
   88   2HB   TYR  11          1HB       TYR  11   0.138   5.972   7.133
   89    HD1  TYR  11           1HD      TYR  11  -1.405   7.925   7.330
   90    HD2  TYR  11           2HD      TYR  11   2.792   8.299   7.919
   91    HE1  TYR  11           1HE      TYR  11  -1.584  10.359   7.025
   92    HE2  TYR  11           2HE      TYR  11   2.624  10.732   7.615
   93    HH   TYR  11           HH       TYR  11   1.152  12.365   6.600
   94    H    LEU  12           H        LEU  12   1.294   3.624   8.847
   95    HA   LEU  12           HA       LEU  12  -1.015   2.307   8.041
   96   1HB   LEU  12          2HB       LEU  12   1.185   1.357   7.717
   97   2HB   LEU  12          1HB       LEU  12   1.425   1.229   9.447
   98    HG   LEU  12           HG       LEU  12   0.849  -0.905   8.147
   99   1HD1  LEU  12          1HD1      LEU  12  -1.116  -0.651  10.323
  100   2HD1  LEU  12          2HD1      LEU  12   0.545  -0.222  10.730
  101   3HD1  LEU  12          3HD1      LEU  12   0.181  -1.823  10.088
  102   1HD2  LEU  12          1HD2      LEU  12  -1.201  -1.234   7.271
  103   2HD2  LEU  12          2HD2      LEU  12  -1.216   0.527   7.167
  104   3HD2  LEU  12          3HD2      LEU  12  -2.005  -0.283   8.520
  105    H    MET  13           H        MET  13   0.383   2.544  11.305
  106    HA   MET  13           HA       MET  13  -1.639   0.982  12.542
  107   1HB   MET  13          2HB       MET  13  -0.696   1.702  14.638
  108   2HB   MET  13          1HB       MET  13   0.613   1.365  13.516
  109   1HG   MET  13          2HG       MET  13   1.440   3.374  13.897
  110   2HG   MET  13          1HG       MET  13  -0.024   4.095  13.233
  111   1HE   MET  13          1HE       MET  13  -2.098   2.864  15.459
  112   2HE   MET  13          2HE       MET  13  -2.248   4.491  14.799
  113   3HE   MET  13          3HE       MET  13  -2.234   4.247  16.546
  114    H    ARG  14           H        ARG  14  -1.333   4.376  11.782
  115    HA   ARG  14           HA       ARG  14  -3.530   5.201  13.440
  116   1HB   ARG  14          2HB       ARG  14  -1.725   6.505  11.464
  117   2HB   ARG  14          1HB       ARG  14  -3.272   7.276  11.784
  118   1HG   ARG  14          2HG       ARG  14  -2.757   7.548  14.085
  119   2HG   ARG  14          1HG       ARG  14  -1.330   6.518  13.950
  120   1HD   ARG  14          2HD       ARG  14  -0.223   8.141  12.568
  121   2HD   ARG  14          1HD       ARG  14  -1.679   9.133  12.492
  122    HE   ARG  14           HE       ARG  14   0.249   9.046  14.615
  123   1HH1  ARG  14          1HH1      ARG  14  -3.077   9.737  13.817
  124   2HH1  ARG  14          2HH1      ARG  14  -3.308  10.805  15.159
  125   1HH2  ARG  14          1HH2      ARG  14  -0.053  10.451  16.382
  126   2HH2  ARG  14          2HH2      ARG  14  -1.592  11.210  16.617
  127    H    LEU  15           H        LEU  15  -3.104   4.149  10.142
  128    HA   LEU  15           HA       LEU  15  -5.552   5.096   9.097
  129   1HB   LEU  15          2HB       LEU  15  -3.384   4.001   7.989
  130   2HB   LEU  15          1HB       LEU  15  -4.388   2.565   8.065
  131    HG   LEU  15           HG       LEU  15  -5.849   4.814   6.958
  132   1HD1  LEU  15          1HD1      LEU  15  -4.594   5.463   5.194
  133   2HD1  LEU  15          2HD1      LEU  15  -3.770   3.909   5.067
  134   3HD1  LEU  15          3HD1      LEU  15  -3.271   5.072   6.295
  135   1HD2  LEU  15          1HD2      LEU  15  -6.575   3.230   5.412
  136   2HD2  LEU  15          2HD2      LEU  15  -6.285   2.282   6.871
  137   3HD2  LEU  15          3HD2      LEU  15  -5.103   2.270   5.562
  138    H    ARG  16           H        ARG  16  -4.623   1.979  10.517
  139    HA   ARG  16           HA       ARG  16  -7.116   0.713  10.154
  140   1HB   ARG  16          2HB       ARG  16  -4.690  -0.143  10.934
  141   2HB   ARG  16          1HB       ARG  16  -5.475  -0.049  12.503
  142   1HG   ARG  16          2HG       ARG  16  -7.308  -1.472  11.594
  143   2HG   ARG  16          1HG       ARG  16  -6.348  -1.671  10.126
  144   1HD   ARG  16          2HD       ARG  16  -5.728  -3.540  11.307
  145   2HD   ARG  16          1HD       ARG  16  -4.481  -2.399  11.810
  146    HE   ARG  16           HE       ARG  16  -6.397  -2.077  13.687
  147   1HH1  ARG  16          1HH1      ARG  16  -4.755  -4.884  12.424
  148   2HH1  ARG  16          2HH1      ARG  16  -4.872  -5.774  13.905
  149   1HH2  ARG  16          1HH2      ARG  16  -6.552  -3.244  15.637
  150   2HH2  ARG  16          2HH2      ARG  16  -5.892  -4.842  15.730
  151    H    ARG  17           H        ARG  17  -6.161   3.178  12.307
  152    HA   ARG  17           HA       ARG  17  -7.633   2.676  14.597
  153   1HB   ARG  17          2HB       ARG  17  -6.030   4.589  14.167
  154   2HB   ARG  17          1HB       ARG  17  -7.346   5.399  13.329
  155   1HG   ARG  17          2HG       ARG  17  -8.682   5.309  15.400
  156   2HG   ARG  17          1HG       ARG  17  -7.304   4.579  16.226
  157   1HD   ARG  17          2HD       ARG  17  -7.265   6.902  16.724
  158   2HD   ARG  17          1HD       ARG  17  -5.967   6.599  15.572
  159    HE   ARG  17           HE       ARG  17  -7.045   7.930  14.054
  160   1HH1  ARG  17          1HH1      ARG  17  -9.264   7.117  16.621
  161   2HH1  ARG  17          2HH1      ARG  17 -10.487   8.219  16.084
  162   1HH2  ARG  17          1HH2      ARG  17  -8.652   9.381  13.345
  163   2HH2  ARG  17          2HH2      ARG  17 -10.140   9.503  14.222
  164    H    CYS  18           H        CYS  18  -8.721   3.662  11.439
  165    HA   CYS  18           HA       CYS  18 -11.226   4.718  12.074
  166   1HB   CYS  18          2HB       CYS  18  -9.872   4.345   9.767
  167   2HB   CYS  18          1HB       CYS  18 -11.061   3.054   9.630
  168    HG   CYS  18           HG       CYS  18 -11.680   5.686   8.775
  169    H    GLN  19           H        GLN  19 -13.290   3.477  11.152
  170    HA   GLN  19           HA       GLN  19 -13.484   1.048  12.776
  171   1HB   GLN  19          2HB       GLN  19 -15.933   1.387  12.590
  172   2HB   GLN  19          1HB       GLN  19 -15.104   2.759  13.314
  173   1HG   GLN  19          2HG       GLN  19 -15.341   4.062  11.374
  174   2HG   GLN  19          1HG       GLN  19 -15.789   2.667  10.396
  175   1HE2  GLN  19          1HE2      GLN  19 -16.849   4.778  12.996
  176   2HE2  GLN  19          2HE2      GLN  19 -18.542   4.527  12.761
  177    H    THR  20           H        THR  20 -13.972   2.250   9.513
  178    HA   THR  20           HA       THR  20 -13.917  -0.488   8.521
  179    HB   THR  20           HB       THR  20 -16.317   0.066   8.820
  180    HG1  THR  20           1HG      THR  20 -16.908  -0.493   6.693
  181   1HG2  THR  20          1HG2      THR  20 -15.550   2.509   7.467
  182   2HG2  THR  20          2HG2      THR  20 -17.003   2.131   8.394
  183   3HG2  THR  20          3HG2      THR  20 -16.910   1.702   6.685
  184    H    ILE  21           H        ILE  21 -13.488  -0.615   6.217
  185    HA   ILE  21           HA       ILE  21 -11.605   1.369   5.384
  186    HB   ILE  21           HB       ILE  21 -12.698  -1.083   4.005
  187   1HG1  ILE  21          2HG1      ILE  21 -10.371  -1.903   4.362
  188   2HG1  ILE  21          1HG1      ILE  21 -10.019  -0.422   5.247
  189   1HG2  ILE  21          1HG2      ILE  21 -12.166   0.374   2.220
  190   2HG2  ILE  21          2HG2      ILE  21 -10.789  -0.715   2.387
  191   3HG2  ILE  21          3HG2      ILE  21 -10.693   0.930   3.016
  192   1HD1  ILE  21          1HD1      ILE  21 -11.394  -1.022   7.026
  193   2HD1  ILE  21          2HD1      ILE  21 -10.582  -2.523   6.580
  194   3HD1  ILE  21          3HD1      ILE  21 -12.249  -2.238   6.077
  195    H    ASP  22           H        ASP  22 -14.957   0.681   4.704
  196    HA   ASP  22           HA       ASP  22 -15.311   2.032   2.301
  197   1HB   ASP  22          2HB       ASP  22 -16.968   0.682   3.919
  198   2HB   ASP  22          1HB       ASP  22 -17.435   2.321   4.361
  199    H    THR  23           H        THR  23 -15.570   3.298   5.618
  200    HA   THR  23           HA       THR  23 -15.960   5.994   4.720
  201    HB   THR  23           HB       THR  23 -15.806   4.573   7.315
  202    HG1  THR  23           1HG      THR  23 -17.370   6.744   6.380
  203   1HG2  THR  23          1HG2      THR  23 -15.659   6.660   8.606
  204   2HG2  THR  23          2HG2      THR  23 -15.176   7.507   7.136
  205   3HG2  THR  23          3HG2      THR  23 -14.147   6.238   7.801
  206    H    LEU  24           H        LEU  24 -13.269   3.999   5.712
  207    HA   LEU  24           HA       LEU  24 -11.371   6.065   6.090
  208   1HB   LEU  24          2HB       LEU  24 -11.403   3.315   6.385
  209   2HB   LEU  24          1HB       LEU  24 -10.280   3.559   5.060
  210    HG   LEU  24           HG       LEU  24 -10.068   4.896   7.749
  211   1HD1  LEU  24          1HD1      LEU  24  -7.912   3.244   7.520
  212   2HD1  LEU  24          2HD1      LEU  24  -9.190   2.278   6.782
  213   3HD1  LEU  24          3HD1      LEU  24  -9.377   2.876   8.430
  214   1HD2  LEU  24          1HD2      LEU  24  -8.420   6.132   6.910
  215   2HD2  LEU  24          2HD2      LEU  24  -8.950   5.611   5.312
  216   3HD2  LEU  24          3HD2      LEU  24  -7.667   4.734   6.144
  217    H    GLU  25           H        GLU  25 -12.458   4.256   3.298
  218    HA   GLU  25           HA       GLU  25 -10.462   4.948   1.475
  219   1HB   GLU  25          2HB       GLU  25 -12.279   3.284   1.074
  220   2HB   GLU  25          1HB       GLU  25 -13.409   4.616   0.878
  221   1HG   GLU  25          2HG       GLU  25 -12.922   4.610  -1.278
  222   2HG   GLU  25          1HG       GLU  25 -11.314   5.198  -0.857
  223    H    ARG  26           H        ARG  26 -13.189   6.750   2.692
  224    HA   ARG  26           HA       ARG  26 -13.163   8.836   0.780
  225   1HB   ARG  26          2HB       ARG  26 -15.090   8.469   2.217
  226   2HB   ARG  26          1HB       ARG  26 -14.124   8.794   3.648
  227   1HG   ARG  26          2HG       ARG  26 -14.398  10.995   3.458
  228   2HG   ARG  26          1HG       ARG  26 -14.042  10.975   1.730
  229   1HD   ARG  26          2HD       ARG  26 -16.367  10.096   1.365
  230   2HD   ARG  26          1HD       ARG  26 -16.678  10.406   3.072
  231    HE   ARG  26           HE       ARG  26 -16.516  12.345   0.954
  232   1HH1  ARG  26          1HH1      ARG  26 -16.243  11.832   4.395
  233   2HH1  ARG  26          2HH1      ARG  26 -16.589  13.481   4.795
  234   1HH2  ARG  26          1HH2      ARG  26 -16.973  14.514   1.478
  235   2HH2  ARG  26          2HH2      ARG  26 -17.003  15.004   3.139
  236    H    VAL  27           H        VAL  27 -11.469   8.301   3.830
  237    HA   VAL  27           HA       VAL  27 -10.285  10.907   3.865
  238    HB   VAL  27           HB       VAL  27 -10.657   9.527   5.930
  239   1HG1  VAL  27          1HG1      VAL  27  -9.941   7.405   5.781
  240   2HG1  VAL  27          2HG1      VAL  27  -8.392   8.087   6.271
  241   3HG1  VAL  27          3HG1      VAL  27  -8.721   7.786   4.568
  242   1HG2  VAL  27          1HG2      VAL  27  -9.357  11.286   6.482
  243   2HG2  VAL  27          2HG2      VAL  27  -8.198  10.972   5.189
  244   3HG2  VAL  27          3HG2      VAL  27  -8.129  10.037   6.683
  245    H    ILE  28           H        ILE  28  -9.474   7.833   2.466
  246    HA   ILE  28           HA       ILE  28  -6.715   8.153   2.128
  247    HB   ILE  28           HB       ILE  28  -8.610   6.798   0.202
  248   1HG1  ILE  28          2HG1      ILE  28  -8.949   5.833   2.373
  249   2HG1  ILE  28          1HG1      ILE  28  -7.967   4.714   1.440
  250   1HG2  ILE  28          1HG2      ILE  28  -6.842   6.048  -0.937
  251   2HG2  ILE  28          2HG2      ILE  28  -5.931   5.695   0.532
  252   3HG2  ILE  28          3HG2      ILE  28  -5.941   7.331  -0.127
  253   1HD1  ILE  28          1HD1      ILE  28  -7.251   4.982   3.793
  254   2HD1  ILE  28          2HD1      ILE  28  -6.862   6.666   3.441
  255   3HD1  ILE  28          3HD1      ILE  28  -5.994   5.370   2.616
  256    H    GLU  29           H        GLU  29  -9.446   9.217   0.163
  257    HA   GLU  29           HA       GLU  29  -7.903  10.310  -1.951
  258   1HB   GLU  29          2HB       GLU  29 -10.565   9.847  -1.551
  259   2HB   GLU  29          1HB       GLU  29 -10.496  11.596  -1.391
  260   1HG   GLU  29          2HG       GLU  29  -9.159  10.296  -3.712
  261   2HG   GLU  29          1HG       GLU  29 -10.912  10.477  -3.711
  262    H    LYS  30           H        LYS  30  -9.359  11.730   0.960
  263    HA   LYS  30           HA       LYS  30  -8.619  14.391   0.477
  264   1HB   LYS  30          2HB       LYS  30 -10.119  13.235   2.349
  265   2HB   LYS  30          1HB       LYS  30  -8.631  13.374   3.276
  266   1HG   LYS  30          2HG       LYS  30  -9.835  15.719   1.847
  267   2HG   LYS  30          1HG       LYS  30 -10.321  15.260   3.480
  268   1HD   LYS  30          2HD       LYS  30  -7.453  15.317   3.282
  269   2HD   LYS  30          1HD       LYS  30  -8.130  16.847   2.718
  270   1HE   LYS  30          2HE       LYS  30  -8.952  17.396   4.765
  271   2HE   LYS  30          1HE       LYS  30  -9.251  15.718   5.215
  272   1HZ   LYS  30          1HZ       LYS  30  -7.362  17.036   6.359
  273   2HZ   LYS  30          2HZ       LYS  30  -6.484  16.684   4.956
  274   3HZ   LYS  30          3HZ       LYS  30  -7.094  15.426   5.909
  275    H    ASN  31           H        ASN  31  -6.936  11.814   2.249
  276    HA   ASN  31           HA       ASN  31  -4.672  13.456   2.865
  277   1HB   ASN  31          2HB       ASN  31  -5.586  11.250   4.019
  278   2HB   ASN  31          1HB       ASN  31  -4.478  10.479   2.888
  279   1HD2  ASN  31          1HD2      ASN  31  -4.798  12.036   5.851
  280   2HD2  ASN  31          2HD2      ASN  31  -3.121  12.219   6.223
  281    H    LYS  32           H        LYS  32  -5.548  11.259   0.298
  282    HA   LYS  32           HA       LYS  32  -3.033  10.753  -0.803
  283   1HB   LYS  32          2HB       LYS  32  -4.967   9.523  -1.541
  284   2HB   LYS  32          1HB       LYS  32  -5.749  10.989  -2.107
  285   1HG   LYS  32          2HG       LYS  32  -4.981  10.407  -4.111
  286   2HG   LYS  32          1HG       LYS  32  -3.418  10.988  -3.539
  287   1HD   LYS  32          2HD       LYS  32  -2.652   8.841  -3.071
  288   2HD   LYS  32          1HD       LYS  32  -4.283   8.170  -3.010
  289   1HE   LYS  32          2HE       LYS  32  -4.501   8.190  -5.342
  290   2HE   LYS  32          1HE       LYS  32  -3.149   9.303  -5.546
  291   1HZ   LYS  32          1HZ       LYS  32  -3.080   6.546  -5.689
  292   2HZ   LYS  32          2HZ       LYS  32  -2.290   6.938  -4.247
  293   3HZ   LYS  32          3HZ       LYS  32  -1.759   7.603  -5.708
  294    H    TYR  33           H        TYR  33  -5.085  13.569  -0.983
  295    HA   TYR  33           HA       TYR  33  -3.216  14.828  -2.870
  296   1HB   TYR  33          2HB       TYR  33  -5.702  14.757  -3.395
  297   2HB   TYR  33          1HB       TYR  33  -5.924  15.884  -2.060
  298    HD1  TYR  33           1HD      TYR  33  -6.192  18.073  -2.703
  299    HD2  TYR  33           2HD      TYR  33  -3.620  15.580  -4.999
  300    HE1  TYR  33           1HE      TYR  33  -5.719  19.959  -4.209
  301    HE2  TYR  33           2HE      TYR  33  -3.139  17.458  -6.511
  302    HH   TYR  33           HH       TYR  33  -3.567  20.508  -5.850
  303    H    GLU  34           H        GLU  34  -3.857  14.654   0.399
  304    HA   GLU  34           HA       GLU  34  -3.489  17.386   1.125
  305   1HB   GLU  34          2HB       GLU  34  -4.516  15.386   2.476
  306   2HB   GLU  34          1HB       GLU  34  -2.853  15.129   2.985
  307   1HG   GLU  34          2HG       GLU  34  -3.033  17.739   3.480
  308   2HG   GLU  34          1HG       GLU  34  -4.734  17.307   3.656
  309    H    LEU  35           H        LEU  35  -1.349  14.614   1.849
  310    HA   LEU  35           HA       LEU  35   0.901  16.330   2.204
  311   1HB   LEU  35          2HB       LEU  35   2.130  14.441   2.770
  312   2HB   LEU  35          1HB       LEU  35   0.530  14.099   3.345
  313    HG   LEU  35           HG       LEU  35   2.183  12.617   1.490
  314   1HD1  LEU  35          1HD1      LEU  35   1.128  10.839   2.412
  315   2HD1  LEU  35          2HD1      LEU  35  -0.429  11.659   2.505
  316   3HD1  LEU  35          3HD1      LEU  35   0.840  12.038   3.669
  317   1HD2  LEU  35          1HD2      LEU  35  -0.457  13.553   0.507
  318   2HD2  LEU  35          2HD2      LEU  35  -0.025  11.865   0.251
  319   3HD2  LEU  35          3HD2      LEU  35   1.009  13.144  -0.381
  320    H    SER  36           H        SER  36   2.872  14.650   0.993
  321    HA   SER  36           HA       SER  36   2.504  15.363  -1.839
  322   1HB   SER  36          2HB       SER  36   5.282  15.166  -1.237
  323   2HB   SER  36          1HB       SER  36   4.371  16.598  -1.714
  324    HG   SER  36           HG       SER  36   3.909  16.959   0.480
  325    H    ASP  37           H        ASP  37   4.428  14.116  -3.091
  326    HA   ASP  37           HA       ASP  37   3.663  11.425  -3.140
  327   1HB   ASP  37          2HB       ASP  37   5.740  13.079  -4.440
  328   2HB   ASP  37          1HB       ASP  37   6.085  11.353  -4.365
  329    H    ASN  38           H        ASN  38   6.038  13.088  -1.236
  330    HA   ASN  38           HA       ASN  38   7.624  10.818  -0.601
  331   1HB   ASN  38          2HB       ASN  38   8.674  12.239   1.064
  332   2HB   ASN  38          1HB       ASN  38   8.464  13.129  -0.440
  333   1HD2  ASN  38          1HD2      ASN  38   8.383  13.526   2.721
  334   2HD2  ASN  38          2HD2      ASN  38   7.153  14.729   2.878
  335    H    GLU  39           H        GLU  39   5.050  12.517   1.231
  336    HA   GLU  39           HA       GLU  39   5.202  10.542   3.326
  337   1HB   GLU  39          2HB       GLU  39   2.794  12.180   3.343
  338   2HB   GLU  39          1HB       GLU  39   4.026  11.986   4.571
  339   1HG   GLU  39          2HG       GLU  39   5.443  13.543   3.106
  340   2HG   GLU  39          1HG       GLU  39   3.921  13.930   2.303
  341    H    LEU  40           H        LEU  40   3.320  11.101   0.462
  342    HA   LEU  40           HA       LEU  40   1.103   9.492   0.981
  343   1HB   LEU  40          2HB       LEU  40   1.285  10.999  -0.929
  344   2HB   LEU  40          1HB       LEU  40   2.502   9.966  -1.647
  345    HG   LEU  40           HG       LEU  40  -0.030   8.608  -1.022
  346   1HD1  LEU  40          1HD1      LEU  40  -0.849   9.665  -3.324
  347   2HD1  LEU  40          2HD1      LEU  40   0.046  11.049  -2.694
  348   3HD1  LEU  40          3HD1      LEU  40  -1.276  10.353  -1.757
  349   1HD2  LEU  40          1HD2      LEU  40   2.124   7.958  -2.443
  350   2HD2  LEU  40          2HD2      LEU  40   1.175   8.706  -3.727
  351   3HD2  LEU  40          3HD2      LEU  40   0.516   7.341  -2.826
  352    H    ALA  41           H        ALA  41   4.354   8.645  -0.061
  353    HA   ALA  41           HA       ALA  41   3.901   6.019  -0.892
  354   1HB   ALA  41          1HB       ALA  41   6.063   7.273  -1.085
  355   2HB   ALA  41          2HB       ALA  41   6.234   5.621  -0.492
  356   3HB   ALA  41          3HB       ALA  41   6.325   6.975   0.633
  357    H    VAL  42           H        VAL  42   4.238   7.444   2.282
  358    HA   VAL  42           HA       VAL  42   4.196   4.948   3.701
  359    HB   VAL  42           HB       VAL  42   3.678   7.731   4.762
  360   1HG1  VAL  42          1HG1      VAL  42   3.481   6.836   6.791
  361   2HG1  VAL  42          2HG1      VAL  42   4.912   5.831   6.565
  362   3HG1  VAL  42          3HG1      VAL  42   3.339   5.269   5.996
  363   1HG2  VAL  42          1HG2      VAL  42   6.172   7.200   5.570
  364   2HG2  VAL  42          2HG2      VAL  42   5.810   8.035   4.060
  365   3HG2  VAL  42          3HG2      VAL  42   6.171   6.309   4.049
  366    H    PHE  43           H        PHE  43   1.854   7.325   2.598
  367    HA   PHE  43           HA       PHE  43  -0.289   6.325   4.219
  368   1HB   PHE  43          2HB       PHE  43  -0.118   8.665   3.262
  369   2HB   PHE  43          1HB       PHE  43  -0.546   7.968   1.702
  370    HD1  PHE  43           1HD      PHE  43  -2.757   6.877   1.415
  371    HD2  PHE  43           2HD      PHE  43  -1.752   9.082   4.910
  372    HE1  PHE  43           1HE      PHE  43  -5.140   7.046   1.986
  373    HE2  PHE  43           2HE      PHE  43  -4.137   9.258   5.491
  374    HZ   PHE  43           HZ       PHE  43  -5.835   8.240   4.028
  375    H    TYR  44           H        TYR  44   0.587   6.008   0.787
  376    HA   TYR  44           HA       TYR  44  -1.561   4.420  -0.010
  377   1HB   TYR  44          2HB       TYR  44   0.463   5.533  -1.338
  378   2HB   TYR  44          1HB       TYR  44   1.119   3.903  -1.210
  379    HD1  TYR  44           1HD      TYR  44  -1.887   5.783  -2.344
  380    HD2  TYR  44           2HD      TYR  44   0.448   2.245  -2.717
  381    HE1  TYR  44           1HE      TYR  44  -3.250   5.094  -4.272
  382    HE2  TYR  44           2HE      TYR  44  -0.908   1.547  -4.647
  383    HH   TYR  44           HH       TYR  44  -2.399   2.962  -6.457
  384    H    SER  45           H        SER  45   1.640   3.457   1.195
  385    HA   SER  45           HA       SER  45   1.285   0.688   0.986
  386   1HB   SER  45          2HB       SER  45   3.132   0.505   2.595
  387   2HB   SER  45          1HB       SER  45   3.476   1.741   1.384
  388    HG   SER  45           HG       SER  45   2.466   2.210   3.997
  389    H    ALA  46           H        ALA  46   0.347   2.968   3.487
  390    HA   ALA  46           HA       ALA  46  -0.346   1.058   5.457
  391   1HB   ALA  46          1HB       ALA  46  -1.769   3.014   6.337
  392   2HB   ALA  46          2HB       ALA  46  -1.031   3.942   5.032
  393   3HB   ALA  46          3HB       ALA  46  -0.018   3.210   6.276
  394    H    ALA  47           H        ALA  47  -2.196   2.689   2.928
  395    HA   ALA  47           HA       ALA  47  -4.674   1.436   3.683
  396   1HB   ALA  47          1HB       ALA  47  -4.904   3.567   2.718
  397   2HB   ALA  47          2HB       ALA  47  -5.455   2.438   1.480
  398   3HB   ALA  47          3HB       ALA  47  -3.851   3.159   1.364
  399    H    ASP  48           H        ASP  48  -2.136   0.874   1.326
  400    HA   ASP  48           HA       ASP  48  -3.483  -0.992  -0.289
  401   1HB   ASP  48          2HB       ASP  48  -0.663  -0.212   0.180
  402   2HB   ASP  48          1HB       ASP  48  -0.918  -1.813  -0.508
  403    H    HIS  49           H        HIS  49  -1.291  -1.494   2.474
  404    HA   HIS  49           HA       HIS  49  -1.443  -4.291   2.517
  405   1HB   HIS  49          2HB       HIS  49  -0.614  -2.174   4.422
  406   2HB   HIS  49          1HB       HIS  49  -1.006  -3.742   5.121
  407    HD1  HIS  49           1HD      HIS  49   1.723  -3.375   5.640
  408    HD2  HIS  49           2HD      HIS  49   0.557  -4.451   1.799
  409    HE1  HIS  49           1HE      HIS  49   3.782  -4.327   4.554
  410    HE2  HIS  49           2HE      HIS  49   3.074  -4.891   2.203
  411    H    ARG  50           H        ARG  50  -3.379  -1.842   4.202
  412    HA   ARG  50           HA       ARG  50  -4.954  -3.590   5.720
  413   1HB   ARG  50          2HB       ARG  50  -4.822  -1.113   6.022
  414   2HB   ARG  50          1HB       ARG  50  -5.798  -0.924   4.572
  415   1HG   ARG  50          2HG       ARG  50  -7.315  -0.715   6.325
  416   2HG   ARG  50          1HG       ARG  50  -7.530  -2.373   5.761
  417   1HD   ARG  50          2HD       ARG  50  -5.979  -3.113   7.566
  418   2HD   ARG  50          1HD       ARG  50  -5.966  -1.457   8.170
  419    HE   ARG  50           HE       ARG  50  -8.051  -1.799   9.062
  420   1HH1  ARG  50          1HH1      ARG  50  -7.332  -4.380   6.826
  421   2HH1  ARG  50          2HH1      ARG  50  -8.714  -5.322   7.275
  422   1HH2  ARG  50          1HH2      ARG  50  -9.868  -3.037   9.655
  423   2HH2  ARG  50          2HH2      ARG  50 -10.155  -4.559   8.880
  424    H    LEU  51           H        LEU  51  -5.354  -2.345   2.442
  425    HA   LEU  51           HA       LEU  51  -7.905  -3.567   2.033
  426   1HB   LEU  51          2HB       LEU  51  -6.399  -1.651   0.731
  427   2HB   LEU  51          1HB       LEU  51  -6.350  -3.009  -0.376
  428    HG   LEU  51           HG       LEU  51  -9.045  -2.716   0.466
  429   1HD1  LEU  51          1HD1      LEU  51  -8.086  -0.353   0.997
  430   2HD1  LEU  51          2HD1      LEU  51  -9.617  -0.512   0.134
  431   3HD1  LEU  51          3HD1      LEU  51  -8.137  -0.148  -0.754
  432   1HD2  LEU  51          1HD2      LEU  51  -7.503  -2.391  -2.073
  433   2HD2  LEU  51          2HD2      LEU  51  -9.218  -1.984  -2.018
  434   3HD2  LEU  51          3HD2      LEU  51  -8.686  -3.620  -1.629
  435    H    ALA  52           H        ALA  52  -4.567  -4.413   1.269
  436    HA   ALA  52           HA       ALA  52  -5.044  -6.637  -0.358
  437   1HB   ALA  52          1HB       ALA  52  -2.819  -5.348   0.571
  438   2HB   ALA  52          2HB       ALA  52  -2.816  -6.846  -0.360
  439   3HB   ALA  52          3HB       ALA  52  -2.722  -6.901   1.400
  440    H    GLU  53           H        GLU  53  -4.486  -6.490   3.157
  441    HA   GLU  53           HA       GLU  53  -4.836  -9.253   3.597
  442   1HB   GLU  53          2HB       GLU  53  -5.176  -8.577   5.994
  443   2HB   GLU  53          1HB       GLU  53  -3.682  -8.015   5.262
  444   1HG   GLU  53          2HG       GLU  53  -5.357  -5.927   4.766
  445   2HG   GLU  53          1HG       GLU  53  -5.951  -6.507   6.321
  446    H    LEU  54           H        LEU  54  -7.092  -6.640   3.258
  447    HA   LEU  54           HA       LEU  54  -9.303  -7.869   4.531
  448   1HB   LEU  54          2HB       LEU  54  -8.834  -5.402   3.537
  449   2HB   LEU  54          1HB       LEU  54  -9.821  -6.064   2.247
  450    HG   LEU  54           HG       LEU  54 -11.535  -6.651   4.020
  451   1HD1  LEU  54          1HD1      LEU  54 -11.426  -5.463   6.125
  452   2HD1  LEU  54          2HD1      LEU  54  -9.873  -4.760   5.677
  453   3HD1  LEU  54          3HD1      LEU  54 -10.011  -6.498   5.944
  454   1HD2  LEU  54          1HD2      LEU  54 -10.962  -3.708   3.784
  455   2HD2  LEU  54          2HD2      LEU  54 -12.528  -4.502   3.952
  456   3HD2  LEU  54          3HD2      LEU  54 -11.607  -4.674   2.458
  457    H    THR  55           H        THR  55  -7.893  -8.167   1.361
  458    HA   THR  55           HA       THR  55 -10.173  -9.528   0.232
  459    HB   THR  55           HB       THR  55  -7.369  -9.209  -0.847
  460    HG1  THR  55           1HG      THR  55  -8.679  -7.259  -0.471
  461   1HG2  THR  55          1HG2      THR  55  -8.950 -11.018  -1.833
  462   2HG2  THR  55          2HG2      THR  55  -8.075  -9.925  -2.906
  463   3HG2  THR  55          3HG2      THR  55  -9.776  -9.632  -2.546
  464    H    MET  56           H        MET  56  -6.939 -10.444   1.381
  465    HA   MET  56           HA       MET  56  -7.613 -13.263   0.957
  466   1HB   MET  56          2HB       MET  56  -5.289 -11.873   0.513
  467   2HB   MET  56          1HB       MET  56  -4.965 -12.662   2.049
  468   1HG   MET  56          2HG       MET  56  -4.695 -14.641   1.090
  469   2HG   MET  56          1HG       MET  56  -6.176 -14.474   0.149
  470   1HE   MET  56          1HE       MET  56  -6.105 -14.948  -1.976
  471   2HE   MET  56          2HE       MET  56  -4.949 -14.483  -3.225
  472   3HE   MET  56          3HE       MET  56  -6.065 -13.286  -2.564
  473    H    ASN  57           H        ASN  57  -8.213 -11.172   3.322
  474    HA   ASN  57           HA       ASN  57  -8.826 -11.434   5.496
  475   1HB   ASN  57          2HB       ASN  57  -9.138 -13.948   4.497
  476   2HB   ASN  57          1HB       ASN  57  -7.970 -14.239   5.783
  477   1HD2  ASN  57          1HD2      ASN  57 -10.076 -15.501   6.317
  478   2HD2  ASN  57          2HD2      ASN  57 -11.139 -14.698   7.417
  479    H    LYS  58           H        LYS  58  -7.426 -10.217   6.586
  480    HA   LYS  58           HA       LYS  58  -5.525  -9.524   7.650
  481   1HB   LYS  58          2HB       LYS  58  -6.120 -12.253   8.719
  482   2HB   LYS  58          1HB       LYS  58  -4.733 -11.358   9.321
  483   1HG   LYS  58          2HG       LYS  58  -7.381 -10.004   9.254
  484   2HG   LYS  58          1HG       LYS  58  -7.067 -11.207  10.507
  485   1HD   LYS  58          2HD       LYS  58  -6.476  -9.065  11.387
  486   2HD   LYS  58          1HD       LYS  58  -4.981  -9.950  11.077
  487   1HE   LYS  58          2HE       LYS  58  -4.507  -8.684   9.150
  488   2HE   LYS  58          1HE       LYS  58  -6.148  -8.043   9.069
  489   1HZ   LYS  58          1HZ       LYS  58  -5.586  -6.993  11.317
  490   2HZ   LYS  58          2HZ       LYS  58  -4.905  -6.302   9.931
  491   3HZ   LYS  58          3HZ       LYS  58  -3.971  -7.304  10.921
  492    H    LEU  59           H        LEU  59  -4.848 -10.388   5.071
  493    HA   LEU  59           HA       LEU  59  -2.262 -11.706   5.536
  494   1HB   LEU  59          2HB       LEU  59  -4.014 -12.763   3.971
  495   2HB   LEU  59          1HB       LEU  59  -3.599 -11.476   2.856
  496    HG   LEU  59           HG       LEU  59  -2.455 -13.780   2.594
  497   1HD1  LEU  59          1HD1      LEU  59  -1.414 -12.454   1.145
  498   2HD1  LEU  59          2HD1      LEU  59  -0.178 -12.234   2.383
  499   3HD1  LEU  59          3HD1      LEU  59  -1.494 -11.071   2.235
  500   1HD2  LEU  59          1HD2      LEU  59  -1.823 -13.918   5.010
  501   2HD2  LEU  59          2HD2      LEU  59  -0.666 -12.618   4.722
  502   3HD2  LEU  59          3HD2      LEU  59  -0.484 -14.162   3.886
  503    H    TYR  60           H        TYR  60  -0.535 -10.461   5.398
  504    HA   TYR  60           HA       TYR  60  -0.608  -8.107   3.640
  505   1HB   TYR  60          2HB       TYR  60   0.868  -6.961   5.352
  506   2HB   TYR  60          1HB       TYR  60  -0.826  -7.159   5.775
  507    HD1  TYR  60           1HD      TYR  60   1.118 -10.174   5.972
  508    HD2  TYR  60           2HD      TYR  60  -0.012  -6.684   8.118
  509    HE1  TYR  60           1HE      TYR  60   1.785 -11.262   8.076
  510    HE2  TYR  60           2HE      TYR  60   0.647  -7.760  10.230
  511    HH   TYR  60           HH       TYR  60   2.049  -9.537  11.032
  512    H    ASP  61           H        ASP  61   1.483  -7.334   2.899
  513    HA   ASP  61           HA       ASP  61   3.552  -7.586   1.992
  514   1HB   ASP  61          2HB       ASP  61   3.938  -9.669   4.149
  515   2HB   ASP  61          1HB       ASP  61   5.215  -8.923   3.193
  516    H    LYS  62           H        LYS  62   2.636 -10.900   2.972
  517    HA   LYS  62           HA       LYS  62   3.797 -12.246   0.862
  518   1HB   LYS  62          2HB       LYS  62   1.658 -12.833   2.809
  519   2HB   LYS  62          1HB       LYS  62   1.670 -13.840   1.367
  520   1HG   LYS  62          2HG       LYS  62   3.934 -14.530   1.811
  521   2HG   LYS  62          1HG       LYS  62   4.036 -13.425   3.183
  522   1HD   LYS  62          2HD       LYS  62   1.898 -14.782   3.960
  523   2HD   LYS  62          1HD       LYS  62   2.614 -16.023   2.931
  524   1HE   LYS  62          2HE       LYS  62   4.380 -16.344   4.315
  525   2HE   LYS  62          1HE       LYS  62   4.441 -14.651   4.804
  526   1HZ   LYS  62          1HZ       LYS  62   3.675 -16.476   6.471
  527   2HZ   LYS  62          2HZ       LYS  62   2.185 -16.310   5.689
  528   3HZ   LYS  62          3HZ       LYS  62   2.897 -14.974   6.444
  529    H    ILE  63           H        ILE  63   1.174 -10.115   0.647
  530    HA   ILE  63           HA       ILE  63  -0.402 -11.298  -1.337
  531    HB   ILE  63           HB       ILE  63   0.146  -8.348  -0.981
  532   1HG1  ILE  63          2HG1      ILE  63  -2.222  -8.670   0.201
  533   2HG1  ILE  63          1HG1      ILE  63  -1.576 -10.283   0.494
  534   1HG2  ILE  63          1HG2      ILE  63  -2.429  -8.574  -1.823
  535   2HG2  ILE  63          2HG2      ILE  63  -1.654  -9.892  -2.703
  536   3HG2  ILE  63          3HG2      ILE  63  -1.052  -8.245  -2.876
  537   1HD1  ILE  63          1HD1      ILE  63  -0.423  -9.511   2.220
  538   2HD1  ILE  63          2HD1      ILE  63  -1.095  -7.905   1.930
  539   3HD1  ILE  63          3HD1      ILE  63   0.421  -8.376   1.166
  540    HA   PRO  64           HA       PRO  64   2.661 -11.044  -4.627
  541   1HB   PRO  64          2HB       PRO  64   1.350 -12.553  -6.422
  542   2HB   PRO  64          1HB       PRO  64   2.136 -13.264  -5.007
  543   1HG   PRO  64          2HG       PRO  64  -0.753 -12.630  -5.453
  544   2HG   PRO  64          1HG       PRO  64  -0.024 -14.065  -4.709
  545   1HD   PRO  64          2HD       PRO  64  -1.089 -11.975  -3.286
  546   2HD   PRO  64          1HD       PRO  64   0.187 -13.049  -2.668
  547    H    SER  65           H        SER  65   2.097 -10.919  -7.243
  548    HA   SER  65           HA       SER  65   0.957  -8.281  -7.515
  549   1HB   SER  65          2HB       SER  65   2.186 -10.136  -9.568
  550   2HB   SER  65          1HB       SER  65   1.706  -8.466  -9.873
  551    HG   SER  65           HG       SER  65   3.911  -8.573  -9.385
  552    H    SER  66           H        SER  66   0.184 -11.565  -8.556
  553    HA   SER  66           HA       SER  66  -1.947 -10.971 -10.266
  554   1HB   SER  66          2HB       SER  66  -2.650 -13.291  -9.926
  555   2HB   SER  66          1HB       SER  66  -0.898 -13.202 -10.106
  556    HG   SER  66           HG       SER  66  -0.650 -13.562  -7.960
  557    H    VAL  67           H        VAL  67  -1.931 -11.641  -6.778
  558    HA   VAL  67           HA       VAL  67  -4.737 -11.409  -6.448
  559    HB   VAL  67           HB       VAL  67  -2.607 -10.968  -4.350
  560   1HG1  VAL  67          1HG1      VAL  67  -5.027 -10.281  -3.899
  561   2HG1  VAL  67          2HG1      VAL  67  -4.264 -11.367  -2.738
  562   3HG1  VAL  67          3HG1      VAL  67  -5.395 -12.005  -3.931
  563   1HG2  VAL  67          1HG2      VAL  67  -4.026 -13.565  -4.722
  564   2HG2  VAL  67          2HG2      VAL  67  -2.452 -13.236  -3.999
  565   3HG2  VAL  67          3HG2      VAL  67  -2.645 -13.183  -5.751
  566    H    TRP  68           H        TRP  68  -2.056  -9.129  -6.021
  567    HA   TRP  68           HA       TRP  68  -3.582  -6.988  -5.022
  568   1HB   TRP  68          2HB       TRP  68  -0.869  -7.439  -5.842
  569   2HB   TRP  68          1HB       TRP  68  -1.431  -5.923  -6.535
  570    HD1  TRP  68           HD       TRP  68   0.656  -6.537  -3.953
  571    HE1  TRP  68           1HE      TRP  68   0.261  -5.118  -1.847
  572    HE3  TRP  68           3HE      TRP  68  -4.146  -5.043  -4.867
  573    HZ2  TRP  68           2HZ      TRP  68  -1.811  -3.569  -0.716
  574    HZ3  TRP  68           3HZ      TRP  68  -5.264  -3.593  -3.222
  575    HH2  TRP  68           HH       TRP  68  -4.119  -2.872  -1.190
  576    H    LYS  69           H        LYS  69  -2.921  -8.101  -8.275
  577    HA   LYS  69           HA       LYS  69  -3.765  -5.840  -9.699
  578   1HB   LYS  69          2HB       LYS  69  -2.705  -8.219 -10.405
  579   2HB   LYS  69          1HB       LYS  69  -4.381  -8.496 -10.858
  580   1HG   LYS  69          2HG       LYS  69  -3.340  -5.921 -11.755
  581   2HG   LYS  69          1HG       LYS  69  -2.481  -7.311 -12.422
  582   1HD   LYS  69          2HD       LYS  69  -4.389  -8.146 -13.462
  583   2HD   LYS  69          1HD       LYS  69  -5.476  -7.225 -12.421
  584   1HE   LYS  69          2HE       LYS  69  -4.135  -5.211 -13.597
  585   2HE   LYS  69          1HE       LYS  69  -4.059  -6.417 -14.882
  586   1HZ   LYS  69          1HZ       LYS  69  -6.015  -4.952 -15.032
  587   2HZ   LYS  69          2HZ       LYS  69  -6.562  -5.543 -13.544
  588   3HZ   LYS  69          3HZ       LYS  69  -6.437  -6.583 -14.872
  589    H    PHE  70           H        PHE  70  -5.562  -8.650  -8.509
  590    HA   PHE  70           HA       PHE  70  -8.054  -7.863  -9.633
  591   1HB   PHE  70          2HB       PHE  70  -7.436 -10.200  -8.918
  592   2HB   PHE  70          1HB       PHE  70  -7.623  -9.671  -7.249
  593    HD1  PHE  70           1HD      PHE  70  -9.313 -10.695 -10.276
  594    HD2  PHE  70           2HD      PHE  70  -9.848  -8.985  -6.415
  595    HE1  PHE  70           1HE      PHE  70 -11.720 -11.187 -10.396
  596    HE2  PHE  70           2HE      PHE  70 -12.257  -9.474  -6.529
  597    HZ   PHE  70           HZ       PHE  70 -13.195 -10.576  -8.521
  598    H    ILE  71           H        ILE  71  -6.522  -7.403  -6.486
  599    HA   ILE  71           HA       ILE  71  -8.790  -6.184  -5.259
  600    HB   ILE  71           HB       ILE  71  -5.896  -5.902  -4.446
  601   1HG1  ILE  71          2HG1      ILE  71  -7.815  -7.903  -3.290
  602   2HG1  ILE  71          1HG1      ILE  71  -6.883  -8.291  -4.732
  603   1HG2  ILE  71          1HG2      ILE  71  -8.041  -5.952  -2.436
  604   2HG2  ILE  71          2HG2      ILE  71  -8.025  -4.539  -3.492
  605   3HG2  ILE  71          3HG2      ILE  71  -6.598  -4.943  -2.536
  606   1HD1  ILE  71          1HD1      ILE  71  -4.888  -8.313  -3.596
  607   2HD1  ILE  71          2HD1      ILE  71  -5.998  -8.948  -2.382
  608   3HD1  ILE  71          3HD1      ILE  71  -5.484  -7.263  -2.311
  609    H    ARG  72           H        ARG  72  -9.603  -4.342  -6.033
  610    HA   ARG  72           HA       ARG  72  -7.770  -2.083  -6.419
  611   1HB   ARG  72          2HB       ARG  72  -9.167  -3.401  -8.493
  612   2HB   ARG  72          1HB       ARG  72  -9.981  -1.864  -8.241
  613   1HG   ARG  72          2HG       ARG  72  -7.369  -1.105  -8.225
  614   2HG   ARG  72          1HG       ARG  72  -7.350  -2.439  -9.379
  615   1HD   ARG  72          2HD       ARG  72  -7.755  -0.373 -10.553
  616   2HD   ARG  72          1HD       ARG  72  -9.211  -1.367 -10.596
  617    HE   ARG  72           HE       ARG  72  -9.461   0.303  -8.404
  618   1HH1  ARG  72          1HH1      ARG  72  -9.166   0.644 -11.865
  619   2HH1  ARG  72          2HH1      ARG  72 -10.071   2.120 -11.922
  620   1HH2  ARG  72          1HH2      ARG  72 -10.652   2.244  -8.478
  621   2HH2  ARG  72          2HH2      ARG  72 -10.915   3.028 -10.000
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1  13.059   1.661  11.121
    2   2H    MET   1          2HT       MET   1  11.393   1.390  11.432
    3   3H    MET   1          3HT       MET   1  12.414   1.993  12.674
    4    HA   MET   1           HA       MET   1  10.896   3.594  11.491
    5   1HB   MET   1          2HB       MET   1  12.686   5.329  11.602
    6   2HB   MET   1          1HB       MET   1  12.625   4.291  13.020
    7   1HG   MET   1          2HG       MET   1  14.879   4.413  12.618
    8   2HG   MET   1          1HG       MET   1  14.445   2.923  11.782
    9   1HE   MET   1          1HE       MET   1  17.236   4.358   9.477
   10   2HE   MET   1          2HE       MET   1  16.541   2.849  10.068
   11   3HE   MET   1          3HE       MET   1  17.104   4.068  11.212
   12    H    SER   2           H        SER   2  11.721   5.493   9.859
   13    HA   SER   2           HA       SER   2  12.951   4.552   7.458
   14   1HB   SER   2          2HB       SER   2   9.975   4.583   7.679
   15   2HB   SER   2          1HB       SER   2  10.699   5.121   6.164
   16    HG   SER   2           HG       SER   2  11.506   3.143   5.824
   17    H    GLU   3           H        GLU   3  10.285   6.844   8.008
   18    HA   GLU   3           HA       GLU   3  11.989   8.975   6.943
   19   1HB   GLU   3          2HB       GLU   3   9.628   8.451   6.055
   20   2HB   GLU   3          1HB       GLU   3   9.049   9.214   7.529
   21   1HG   GLU   3          2HG       GLU   3   9.346  11.236   6.688
   22   2HG   GLU   3          1HG       GLU   3  11.011  10.871   6.239
   23    H    LYS   4           H        LYS   4  11.972  11.080   7.965
   24    HA   LYS   4           HA       LYS   4  12.474  10.934  10.740
   25   1HB   LYS   4          2HB       LYS   4  12.394  13.095   8.696
   26   2HB   LYS   4          1HB       LYS   4  12.301  13.576  10.385
   27   1HG   LYS   4          2HG       LYS   4  14.381  12.099  10.702
   28   2HG   LYS   4          1HG       LYS   4  14.524  12.183   8.946
   29   1HD   LYS   4          2HD       LYS   4  15.160  14.350   8.974
   30   2HD   LYS   4          1HD       LYS   4  14.074  14.756  10.305
   31   1HE   LYS   4          2HE       LYS   4  15.976  14.922  11.493
   32   2HE   LYS   4          1HE       LYS   4  15.860  13.165  11.573
   33   1HZ   LYS   4          1HZ       LYS   4  17.932  13.296  10.746
   34   2HZ   LYS   4          2HZ       LYS   4  17.707  14.834  10.078
   35   3HZ   LYS   4          3HZ       LYS   4  17.137  13.466   9.263
   36    HA   PRO   5           HA       PRO   5   8.420  13.582  11.309
   37   1HB   PRO   5          2HB       PRO   5   6.660  13.369   9.183
   38   2HB   PRO   5          1HB       PRO   5   7.727  14.744   9.483
   39   1HG   PRO   5          2HG       PRO   5   8.090  12.428   7.632
   40   2HG   PRO   5          1HG       PRO   5   8.493  14.137   7.385
   41   1HD   PRO   5          2HD       PRO   5  10.378  12.324   7.972
   42   2HD   PRO   5          1HD       PRO   5  10.456  13.979   8.611
   43    H    LEU   6           H        LEU   6   7.066  11.336   8.935
   44    HA   LEU   6           HA       LEU   6   6.154   9.637  11.162
   45   1HB   LEU   6          2HB       LEU   6   4.610  10.481   8.712
   46   2HB   LEU   6          1HB       LEU   6   4.080   9.234   9.824
   47    HG   LEU   6           HG       LEU   6   2.887  11.194  10.400
   48   1HD1  LEU   6          1HD1      LEU   6   4.900  11.580  12.485
   49   2HD1  LEU   6          2HD1      LEU   6   4.467   9.893  12.206
   50   3HD1  LEU   6          3HD1      LEU   6   3.216  11.069  12.608
   51   1HD2  LEU   6          1HD2      LEU   6   5.282  12.854  10.922
   52   2HD2  LEU   6          2HD2      LEU   6   3.673  13.322  10.370
   53   3HD2  LEU   6          3HD2      LEU   6   4.821  12.610   9.237
   54    H    THR   7           H        THR   7   6.310   7.468  10.900
   55    HA   THR   7           HA       THR   7   7.755   6.540   8.541
   56    HB   THR   7           HB       THR   7   7.790   4.365   9.995
   57    HG1  THR   7           1HG      THR   7   6.223   5.337  11.494
   58   1HG2  THR   7          1HG2      THR   7   9.389   6.160  11.545
   59   2HG2  THR   7          2HG2      THR   7   9.516   6.554   9.830
   60   3HG2  THR   7          3HG2      THR   7   9.887   4.924  10.390
   61    H    LYS   8           H        LYS   8   7.147   4.110   8.011
   62    HA   LYS   8           HA       LYS   8   4.627   4.178   6.765
   63   1HB   LYS   8          2HB       LYS   8   5.065   1.714   6.366
   64   2HB   LYS   8          1HB       LYS   8   6.293   2.823   5.770
   65   1HG   LYS   8          2HG       LYS   8   6.867   1.988   8.472
   66   2HG   LYS   8          1HG       LYS   8   6.678   0.603   7.395
   67   1HD   LYS   8          2HD       LYS   8   8.487   2.968   6.901
   68   2HD   LYS   8          1HD       LYS   8   9.007   1.393   7.501
   69   1HE   LYS   8          2HE       LYS   8   8.901   0.445   5.465
   70   2HE   LYS   8          1HE       LYS   8   7.418   1.298   5.037
   71   1HZ   LYS   8          1HZ       LYS   8   8.911   2.241   3.606
   72   2HZ   LYS   8          2HZ       LYS   8  10.210   2.134   4.685
   73   3HZ   LYS   8          3HZ       LYS   8   9.027   3.323   4.903
   74    H    THR   9           H        THR   9   5.672   2.977   9.865
   75    HA   THR   9           HA       THR   9   3.275   1.464  10.357
   76    HB   THR   9           HB       THR   9   4.428   1.843  12.822
   77    HG1  THR   9           1HG      THR   9   6.577   1.649  11.000
   78   1HG2  THR   9          1HG2      THR   9   3.907  -0.298  11.400
   79   2HG2  THR   9          2HG2      THR   9   5.062  -0.340  12.732
   80   3HG2  THR   9          3HG2      THR   9   5.638  -0.222  11.070
   81    H    ASP  10           H        ASP  10   4.394   4.711  10.956
   82    HA   ASP  10           HA       ASP  10   2.598   5.439  12.986
   83   1HB   ASP  10          2HB       ASP  10   4.638   6.695  11.668
   84   2HB   ASP  10          1HB       ASP  10   3.235   7.551  11.036
   85    H    TYR  11           H        TYR  11   2.341   5.826   9.453
   86    HA   TYR  11           HA       TYR  11  -0.346   6.821   9.612
   87   1HB   TYR  11          2HB       TYR  11   1.573   6.173   7.431
   88   2HB   TYR  11          1HB       TYR  11  -0.139   6.193   7.023
   89    HD1  TYR  11           1HD      TYR  11   2.632   8.244   8.367
   90    HD2  TYR  11           2HD      TYR  11  -1.312   8.236   6.776
   91    HE1  TYR  11           1HE      TYR  11   2.715  10.693   8.166
   92    HE2  TYR  11           2HE      TYR  11  -1.240  10.684   6.568
   93    HH   TYR  11           HH       TYR  11   0.363  12.474   6.420
   94    H    LEU  12           H        LEU  12   1.164   3.755   8.685
   95    HA   LEU  12           HA       LEU  12  -1.098   2.371   7.861
   96   1HB   LEU  12          2HB       LEU  12   1.153   1.505   7.564
   97   2HB   LEU  12          1HB       LEU  12   1.345   1.339   9.298
   98    HG   LEU  12           HG       LEU  12  -0.506  -0.344   9.282
   99   1HD1  LEU  12          1HD1      LEU  12  -0.149  -0.628   6.343
  100   2HD1  LEU  12          2HD1      LEU  12  -1.260   0.603   6.945
  101   3HD1  LEU  12          3HD1      LEU  12  -1.508  -1.090   7.369
  102   1HD2  LEU  12          1HD2      LEU  12   2.126  -0.688   8.853
  103   2HD2  LEU  12          2HD2      LEU  12   1.479  -1.426   7.387
  104   3HD2  LEU  12          3HD2      LEU  12   0.975  -2.019   8.970
  105    H    MET  13           H        MET  13   0.127   2.953  11.109
  106    HA   MET  13           HA       MET  13  -1.647   1.173  12.431
  107   1HB   MET  13          2HB       MET  13   0.171   3.384  13.264
  108   2HB   MET  13          1HB       MET  13  -1.057   2.847  14.402
  109   1HG   MET  13          2HG       MET  13   0.593   0.759  13.113
  110   2HG   MET  13          1HG       MET  13   1.378   1.794  14.304
  111   1HE   MET  13          1HE       MET  13  -2.417   0.212  14.252
  112   2HE   MET  13          2HE       MET  13  -1.908  -1.305  14.993
  113   3HE   MET  13          3HE       MET  13  -1.203  -0.793  13.460
  114    H    ARG  14           H        ARG  14  -1.730   4.672  11.831
  115    HA   ARG  14           HA       ARG  14  -4.177   5.121  13.187
  116   1HB   ARG  14          2HB       ARG  14  -2.412   6.661  11.374
  117   2HB   ARG  14          1HB       ARG  14  -4.092   7.175  11.438
  118   1HG   ARG  14          2HG       ARG  14  -2.394   6.812  13.891
  119   2HG   ARG  14          1HG       ARG  14  -2.524   8.340  13.017
  120   1HD   ARG  14          2HD       ARG  14  -5.038   6.965  13.798
  121   2HD   ARG  14          1HD       ARG  14  -4.100   7.746  15.069
  122    HE   ARG  14           HE       ARG  14  -4.267   9.662  13.171
  123   1HH1  ARG  14          1HH1      ARG  14  -6.655   7.660  14.743
  124   2HH1  ARG  14          2HH1      ARG  14  -7.914   8.842  14.612
  125   1HH2  ARG  14          1HH2      ARG  14  -5.920  11.218  12.999
  126   2HH2  ARG  14          2HH2      ARG  14  -7.497  10.863  13.623
  127    H    LEU  15           H        LEU  15  -3.370   4.133   9.938
  128    HA   LEU  15           HA       LEU  15  -5.794   4.696   8.656
  129   1HB   LEU  15          2HB       LEU  15  -3.449   3.737   7.822
  130   2HB   LEU  15          1HB       LEU  15  -4.318   2.218   7.933
  131    HG   LEU  15           HG       LEU  15  -5.593   4.466   6.446
  132   1HD1  LEU  15          1HD1      LEU  15  -3.075   4.084   5.808
  133   2HD1  LEU  15          2HD1      LEU  15  -4.308   4.277   4.562
  134   3HD1  LEU  15          3HD1      LEU  15  -3.726   2.667   4.984
  135   1HD2  LEU  15          1HD2      LEU  15  -6.941   2.560   6.628
  136   2HD2  LEU  15          2HD2      LEU  15  -5.589   1.466   6.330
  137   3HD2  LEU  15          3HD2      LEU  15  -6.235   2.449   5.015
  138    H    ARG  16           H        ARG  16  -4.723   1.794  10.388
  139    HA   ARG  16           HA       ARG  16  -7.166   0.375   9.969
  140   1HB   ARG  16          2HB       ARG  16  -4.724  -0.456  10.595
  141   2HB   ARG  16          1HB       ARG  16  -5.350  -0.311  12.232
  142   1HG   ARG  16          2HG       ARG  16  -7.326  -1.722  11.360
  143   2HG   ARG  16          1HG       ARG  16  -6.240  -2.124  10.028
  144   1HD   ARG  16          2HD       ARG  16  -5.366  -3.711  11.316
  145   2HD   ARG  16          1HD       ARG  16  -4.710  -2.437  12.344
  146    HE   ARG  16           HE       ARG  16  -7.234  -2.726  13.264
  147   1HH1  ARG  16          1HH1      ARG  16  -4.642  -4.988  12.674
  148   2HH1  ARG  16          2HH1      ARG  16  -5.137  -6.074  13.929
  149   1HH2  ARG  16          1HH2      ARG  16  -7.886  -4.153  14.916
  150   2HH2  ARG  16          2HH2      ARG  16  -6.977  -5.600  15.201
  151    H    ARG  17           H        ARG  17  -6.271   2.875  12.076
  152    HA   ARG  17           HA       ARG  17  -7.580   2.302  14.441
  153   1HB   ARG  17          2HB       ARG  17  -6.211   4.426  13.539
  154   2HB   ARG  17          1HB       ARG  17  -7.841   5.071  13.407
  155   1HG   ARG  17          2HG       ARG  17  -7.860   5.514  15.572
  156   2HG   ARG  17          1HG       ARG  17  -7.592   3.809  15.940
  157   1HD   ARG  17          2HD       ARG  17  -5.413   4.123  16.390
  158   2HD   ARG  17          1HD       ARG  17  -5.198   5.246  15.047
  159    HE   ARG  17           HE       ARG  17  -5.552   6.991  16.489
  160   1HH1  ARG  17          1HH1      ARG  17  -6.558   4.026  18.029
  161   2HH1  ARG  17          2HH1      ARG  17  -6.791   4.763  19.577
  162   1HH2  ARG  17          1HH2      ARG  17  -5.861   7.963  18.524
  163   2HH2  ARG  17          2HH2      ARG  17  -6.398   6.998  19.858
  164    H    CYS  18           H        CYS  18  -8.940   3.703  11.465
  165    HA   CYS  18           HA       CYS  18 -11.511   4.198  12.470
  166   1HB   CYS  18          2HB       CYS  18 -10.303   4.699  10.107
  167   2HB   CYS  18          1HB       CYS  18 -11.318   3.338   9.641
  168    HG   CYS  18           HG       CYS  18 -13.082   5.255  11.018
  169    H    GLN  19           H        GLN  19 -13.364   2.993  12.584
  170    HA   GLN  19           HA       GLN  19 -13.006   0.144  12.757
  171   1HB   GLN  19          2HB       GLN  19 -15.482   0.215  13.378
  172   2HB   GLN  19          1HB       GLN  19 -14.362   1.036  14.455
  173   1HG   GLN  19          2HG       GLN  19 -15.219   3.068  14.018
  174   2HG   GLN  19          1HG       GLN  19 -15.517   2.697  12.321
  175   1HE2  GLN  19          1HE2      GLN  19 -17.147   3.860  14.614
  176   2HE2  GLN  19          2HE2      GLN  19 -18.633   2.981  14.547
  177    H    THR  20           H        THR  20 -14.662   2.376  10.593
  178    HA   THR  20           HA       THR  20 -15.549   0.113   8.962
  179    HB   THR  20           HB       THR  20 -16.445   2.980   9.174
  180    HG1  THR  20           1HG      THR  20 -17.907   2.062  10.330
  181   1HG2  THR  20          1HG2      THR  20 -17.479   1.019   7.154
  182   2HG2  THR  20          2HG2      THR  20 -16.360   2.328   6.781
  183   3HG2  THR  20          3HG2      THR  20 -17.973   2.695   7.387
  184    H    ILE  21           H        ILE  21 -15.072   0.022   6.758
  185    HA   ILE  21           HA       ILE  21 -12.540   1.132   6.018
  186    HB   ILE  21           HB       ILE  21 -14.499  -0.341   4.254
  187   1HG1  ILE  21          2HG1      ILE  21 -14.001  -1.682   6.226
  188   2HG1  ILE  21          1HG1      ILE  21 -13.184  -2.360   4.821
  189   1HG2  ILE  21          1HG2      ILE  21 -12.487  -0.926   2.963
  190   2HG2  ILE  21          2HG2      ILE  21 -11.524   0.095   4.031
  191   3HG2  ILE  21          3HG2      ILE  21 -12.771   0.814   3.011
  192   1HD1  ILE  21          1HD1      ILE  21 -11.158  -0.987   5.625
  193   2HD1  ILE  21          2HD1      ILE  21 -11.580  -2.473   6.477
  194   3HD1  ILE  21          3HD1      ILE  21 -12.026  -0.908   7.159
  195    H    ASP  22           H        ASP  22 -15.890   1.639   4.942
  196    HA   ASP  22           HA       ASP  22 -15.424   3.407   2.857
  197   1HB   ASP  22          2HB       ASP  22 -17.717   3.288   4.822
  198   2HB   ASP  22          1HB       ASP  22 -17.718   4.311   3.389
  199    H    THR  23           H        THR  23 -15.987   4.164   6.288
  200    HA   THR  23           HA       THR  23 -15.772   6.916   6.172
  201    HB   THR  23           HB       THR  23 -14.596   5.422   8.473
  202    HG1  THR  23           1HG      THR  23 -17.367   5.453   7.892
  203   1HG2  THR  23          1HG2      THR  23 -16.620   7.023   9.374
  204   2HG2  THR  23          2HG2      THR  23 -15.934   7.945   8.037
  205   3HG2  THR  23          3HG2      THR  23 -14.901   7.419   9.367
  206    H    LEU  24           H        LEU  24 -13.295   4.451   6.143
  207    HA   LEU  24           HA       LEU  24 -11.144   6.342   6.521
  208   1HB   LEU  24          2HB       LEU  24 -11.032   4.013   7.380
  209   2HB   LEU  24          1HB       LEU  24 -11.044   3.428   5.729
  210    HG   LEU  24           HG       LEU  24  -8.794   3.463   6.846
  211   1HD1  LEU  24          1HD1      LEU  24  -9.458   3.816   4.262
  212   2HD1  LEU  24          2HD1      LEU  24  -7.800   3.673   4.844
  213   3HD1  LEU  24          3HD1      LEU  24  -8.494   5.266   4.544
  214   1HD2  LEU  24          1HD2      LEU  24  -8.116   5.298   7.890
  215   2HD2  LEU  24          2HD2      LEU  24  -9.530   6.186   7.330
  216   3HD2  LEU  24          3HD2      LEU  24  -8.070   6.140   6.342
  217    H    GLU  25           H        GLU  25 -12.602   4.539   3.856
  218    HA   GLU  25           HA       GLU  25 -10.696   5.080   1.890
  219   1HB   GLU  25          2HB       GLU  25 -13.219   3.872   1.990
  220   2HB   GLU  25          1HB       GLU  25 -13.395   5.179   0.827
  221   1HG   GLU  25          2HG       GLU  25 -10.974   3.545   0.518
  222   2HG   GLU  25          1HG       GLU  25 -12.498   2.707   0.229
  223    H    ARG  26           H        ARG  26 -13.278   7.041   3.199
  224    HA   ARG  26           HA       ARG  26 -13.267   9.073   1.239
  225   1HB   ARG  26          2HB       ARG  26 -15.096   8.824   2.844
  226   2HB   ARG  26          1HB       ARG  26 -14.007   9.203   4.171
  227   1HG   ARG  26          2HG       ARG  26 -13.629  11.420   2.837
  228   2HG   ARG  26          1HG       ARG  26 -15.181  11.001   2.107
  229   1HD   ARG  26          2HD       ARG  26 -15.538  10.592   4.841
  230   2HD   ARG  26          1HD       ARG  26 -14.601  12.081   4.726
  231    HE   ARG  26           HE       ARG  26 -16.579  12.431   2.904
  232   1HH1  ARG  26          1HH1      ARG  26 -16.545  11.587   6.290
  233   2HH1  ARG  26          2HH1      ARG  26 -18.077  12.326   6.617
  234   1HH2  ARG  26          1HH2      ARG  26 -18.594  13.403   3.333
  235   2HH2  ARG  26          2HH2      ARG  26 -19.241  13.354   4.938
  236    H    VAL  27           H        VAL  27 -11.329   8.492   4.114
  237    HA   VAL  27           HA       VAL  27 -10.043  11.058   3.985
  238    HB   VAL  27           HB       VAL  27 -10.351   9.768   6.124
  239   1HG1  VAL  27          1HG1      VAL  27  -9.711   7.626   6.033
  240   2HG1  VAL  27          2HG1      VAL  27  -8.103   8.268   6.367
  241   3HG1  VAL  27          3HG1      VAL  27  -8.582   7.907   4.711
  242   1HG2  VAL  27          1HG2      VAL  27  -7.769  10.218   6.709
  243   2HG2  VAL  27          2HG2      VAL  27  -8.965  11.502   6.529
  244   3HG2  VAL  27          3HG2      VAL  27  -7.895  11.099   5.186
  245    H    ILE  28           H        ILE  28  -9.533   7.927   2.611
  246    HA   ILE  28           HA       ILE  28  -6.777   8.072   2.090
  247    HB   ILE  28           HB       ILE  28  -8.860   6.718   0.371
  248   1HG1  ILE  28          2HG1      ILE  28  -7.349   5.717   2.793
  249   2HG1  ILE  28          1HG1      ILE  28  -9.086   5.929   2.643
  250   1HG2  ILE  28          1HG2      ILE  28  -5.908   6.178   0.685
  251   2HG2  ILE  28          2HG2      ILE  28  -6.671   6.965  -0.697
  252   3HG2  ILE  28          3HG2      ILE  28  -7.029   5.277  -0.337
  253   1HD1  ILE  28          1HD1      ILE  28  -8.636   4.230   0.607
  254   2HD1  ILE  28          2HD1      ILE  28  -9.049   3.726   2.245
  255   3HD1  ILE  28          3HD1      ILE  28  -7.364   3.741   1.726
  256    H    GLU  29           H        GLU  29  -9.587   9.259   0.343
  257    HA   GLU  29           HA       GLU  29  -8.106  10.145  -1.937
  258   1HB   GLU  29          2HB       GLU  29 -10.473   9.568  -2.111
  259   2HB   GLU  29          1HB       GLU  29 -10.889  10.858  -0.992
  260   1HG   GLU  29          2HG       GLU  29  -9.809  12.431  -2.693
  261   2HG   GLU  29          1HG       GLU  29  -9.895  11.070  -3.810
  262    H    LYS  30           H        LYS  30  -9.436  11.732   0.941
  263    HA   LYS  30           HA       LYS  30  -8.642  14.351   0.169
  264   1HB   LYS  30          2HB       LYS  30  -9.798  13.068   2.560
  265   2HB   LYS  30          1HB       LYS  30  -8.847  14.512   2.877
  266   1HG   LYS  30          2HG       LYS  30 -11.227  14.296   1.045
  267   2HG   LYS  30          1HG       LYS  30 -11.168  15.098   2.617
  268   1HD   LYS  30          2HD       LYS  30  -9.215  16.450   1.495
  269   2HD   LYS  30          1HD       LYS  30 -10.012  15.947   0.002
  270   1HE   LYS  30          2HE       LYS  30 -11.211  17.523   2.275
  271   2HE   LYS  30          1HE       LYS  30 -10.867  18.097   0.644
  272   1HZ   LYS  30          1HZ       LYS  30 -13.150  17.652   0.689
  273   2HZ   LYS  30          2HZ       LYS  30 -12.952  16.182   1.501
  274   3HZ   LYS  30          3HZ       LYS  30 -12.477  16.324  -0.117
  275    H    ASN  31           H        ASN  31  -7.118  11.800   2.059
  276    HA   ASN  31           HA       ASN  31  -4.950  13.462   2.932
  277   1HB   ASN  31          2HB       ASN  31  -5.652  11.595   4.311
  278   2HB   ASN  31          1HB       ASN  31  -5.308  10.464   3.008
  279   1HD2  ASN  31          1HD2      ASN  31  -3.979  12.476   5.489
  280   2HD2  ASN  31          2HD2      ASN  31  -2.368  11.857   5.420
  281    H    LYS  32           H        LYS  32  -5.380  11.008   0.415
  282    HA   LYS  32           HA       LYS  32  -2.716  10.831  -0.409
  283   1HB   LYS  32          2HB       LYS  32  -3.507   9.803  -2.396
  284   2HB   LYS  32          1HB       LYS  32  -4.628   9.340  -1.126
  285   1HG   LYS  32          2HG       LYS  32  -6.240   9.973  -2.514
  286   2HG   LYS  32          1HG       LYS  32  -5.758  11.630  -2.148
  287   1HD   LYS  32          2HD       LYS  32  -4.014  11.253  -4.044
  288   2HD   LYS  32          1HD       LYS  32  -5.094   9.942  -4.525
  289   1HE   LYS  32          2HE       LYS  32  -5.871  12.837  -4.183
  290   2HE   LYS  32          1HE       LYS  32  -5.601  12.017  -5.721
  291   1HZ   LYS  32          1HZ       LYS  32  -7.991  12.258  -4.586
  292   2HZ   LYS  32          2HZ       LYS  32  -7.524  10.767  -3.938
  293   3HZ   LYS  32          3HZ       LYS  32  -7.580  10.980  -5.615
  294    H    TYR  33           H        TYR  33  -5.175  13.215  -1.100
  295    HA   TYR  33           HA       TYR  33  -3.487  14.527  -3.082
  296   1HB   TYR  33          2HB       TYR  33  -6.223  14.285  -2.825
  297   2HB   TYR  33          1HB       TYR  33  -5.925  15.932  -2.280
  298    HD1  TYR  33           1HD      TYR  33  -3.842  16.938  -3.947
  299    HD2  TYR  33           2HD      TYR  33  -7.018  14.307  -4.989
  300    HE1  TYR  33           1HE      TYR  33  -3.684  17.683  -6.285
  301    HE2  TYR  33           2HE      TYR  33  -6.869  15.044  -7.329
  302    HH   TYR  33           HH       TYR  33  -4.277  16.728  -8.566
  303    H    GLU  34           H        GLU  34  -4.076  14.659   0.272
  304    HA   GLU  34           HA       GLU  34  -3.594  17.445   0.657
  305   1HB   GLU  34          2HB       GLU  34  -4.790  15.880   2.262
  306   2HB   GLU  34          1HB       GLU  34  -3.203  15.274   2.713
  307   1HG   GLU  34          2HG       GLU  34  -2.758  17.881   3.043
  308   2HG   GLU  34          1HG       GLU  34  -4.498  17.858   3.325
  309    H    LEU  35           H        LEU  35  -1.586  14.731   1.830
  310    HA   LEU  35           HA       LEU  35   0.717  16.307   2.098
  311   1HB   LEU  35          2HB       LEU  35   1.886  14.368   2.631
  312   2HB   LEU  35          1HB       LEU  35   0.278  14.086   3.207
  313    HG   LEU  35           HG       LEU  35   1.838  12.604   1.232
  314   1HD1  LEU  35          1HD1      LEU  35   0.157  12.149   3.477
  315   2HD1  LEU  35          2HD1      LEU  35   1.213  11.025   2.632
  316   3HD1  LEU  35          3HD1      LEU  35  -0.456  11.223   2.110
  317   1HD2  LEU  35          1HD2      LEU  35  -0.931  13.475   0.565
  318   2HD2  LEU  35          2HD2      LEU  35  -0.410  11.842   0.164
  319   3HD2  LEU  35          3HD2      LEU  35   0.459  13.227  -0.489
  320    H    SER  36           H        SER  36   2.711  14.694   0.927
  321    HA   SER  36           HA       SER  36   2.376  15.371  -1.921
  322   1HB   SER  36          2HB       SER  36   3.972  16.884  -0.808
  323   2HB   SER  36          1HB       SER  36   4.916  15.493  -0.276
  324    HG   SER  36           HG       SER  36   4.403  16.209  -2.976
  325    H    ASP  37           H        ASP  37   4.366  14.190  -3.129
  326    HA   ASP  37           HA       ASP  37   3.715  11.467  -3.167
  327   1HB   ASP  37          2HB       ASP  37   6.068  12.999  -4.273
  328   2HB   ASP  37          1HB       ASP  37   5.872  11.268  -4.525
  329    H    ASN  38           H        ASN  38   5.975  13.263  -1.251
  330    HA   ASN  38           HA       ASN  38   7.625  11.063  -0.510
  331   1HB   ASN  38          2HB       ASN  38   7.336  13.897   0.318
  332   2HB   ASN  38          1HB       ASN  38   8.096  12.802   1.470
  333   1HD2  ASN  38          1HD2      ASN  38   9.575  11.159   0.024
  334   2HD2  ASN  38          2HD2      ASN  38  10.763  12.011  -0.897
  335    H    GLU  39           H        GLU  39   4.951  12.766   1.140
  336    HA   GLU  39           HA       GLU  39   5.038  10.944   3.362
  337   1HB   GLU  39          2HB       GLU  39   4.370  13.207   3.781
  338   2HB   GLU  39          1HB       GLU  39   3.135  13.128   2.540
  339   1HG   GLU  39          2HG       GLU  39   1.758  12.796   4.262
  340   2HG   GLU  39          1HG       GLU  39   2.330  11.131   4.174
  341    H    LEU  40           H        LEU  40   3.174  11.355   0.420
  342    HA   LEU  40           HA       LEU  40   1.077   9.588   0.964
  343   1HB   LEU  40          2HB       LEU  40   1.390  11.216  -0.985
  344   2HB   LEU  40          1HB       LEU  40   2.279   9.924  -1.766
  345    HG   LEU  40           HG       LEU  40  -0.510   9.477  -0.751
  346   1HD1  LEU  40          1HD1      LEU  40   0.133  10.391  -3.541
  347   2HD1  LEU  40          2HD1      LEU  40  -0.397  11.493  -2.270
  348   3HD1  LEU  40          3HD1      LEU  40  -1.452  10.180  -2.795
  349   1HD2  LEU  40          1HD2      LEU  40   0.113   7.427  -1.409
  350   2HD2  LEU  40          2HD2      LEU  40   1.463   8.035  -2.367
  351   3HD2  LEU  40          3HD2      LEU  40  -0.168   8.041  -3.038
  352    H    ALA  41           H        ALA  41   4.378   8.998  -0.049
  353    HA   ALA  41           HA       ALA  41   4.131   6.372  -0.976
  354   1HB   ALA  41          1HB       ALA  41   6.279   6.984  -1.316
  355   2HB   ALA  41          2HB       ALA  41   6.540   6.308   0.293
  356   3HB   ALA  41          3HB       ALA  41   6.304   8.045   0.092
  357    H    VAL  42           H        VAL  42   4.260   7.728   2.239
  358    HA   VAL  42           HA       VAL  42   4.337   5.201   3.602
  359    HB   VAL  42           HB       VAL  42   3.668   7.966   4.636
  360   1HG1  VAL  42          1HG1      VAL  42   3.276   5.461   5.863
  361   2HG1  VAL  42          2HG1      VAL  42   3.161   7.058   6.600
  362   3HG1  VAL  42          3HG1      VAL  42   4.691   6.182   6.630
  363   1HG2  VAL  42          1HG2      VAL  42   6.055   7.458   5.694
  364   2HG2  VAL  42          2HG2      VAL  42   5.867   8.216   4.112
  365   3HG2  VAL  42          3HG2      VAL  42   6.205   6.488   4.230
  366    H    PHE  43           H        PHE  43   1.905   7.445   2.439
  367    HA   PHE  43           HA       PHE  43  -0.262   6.316   3.926
  368   1HB   PHE  43          2HB       PHE  43  -0.093   8.658   2.873
  369   2HB   PHE  43          1HB       PHE  43  -0.537   7.869   1.363
  370    HD1  PHE  43           1HD      PHE  43  -1.733   7.374   4.855
  371    HD2  PHE  43           2HD      PHE  43  -2.692   8.473   0.858
  372    HE1  PHE  43           1HE      PHE  43  -4.110   7.533   5.474
  373    HE2  PHE  43           2HE      PHE  43  -5.067   8.636   1.468
  374    HZ   PHE  43           HZ       PHE  43  -5.780   8.166   3.779
  375    H    TYR  44           H        TYR  44   0.831   6.036   0.556
  376    HA   TYR  44           HA       TYR  44  -1.169   4.295  -0.336
  377   1HB   TYR  44          2HB       TYR  44   0.821   5.586  -1.567
  378   2HB   TYR  44          1HB       TYR  44   1.577   4.001  -1.448
  379    HD1  TYR  44           1HD      TYR  44  -1.147   5.933  -2.955
  380    HD2  TYR  44           2HD      TYR  44   0.705   2.112  -2.700
  381    HE1  TYR  44           1HE      TYR  44  -2.395   5.202  -4.944
  382    HE2  TYR  44           2HE      TYR  44  -0.537   1.370  -4.688
  383    HH   TYR  44           HH       TYR  44  -2.293   3.551  -6.679
  384    H    SER  45           H        SER  45   2.067   3.584   0.957
  385    HA   SER  45           HA       SER  45   1.934   0.797   0.719
  386   1HB   SER  45          2HB       SER  45   3.867   2.530   1.481
  387   2HB   SER  45          1HB       SER  45   3.409   1.869   3.052
  388    HG   SER  45           HG       SER  45   5.096   0.745   1.695
  389    H    ALA  46           H        ALA  46   0.819   2.965   3.259
  390    HA   ALA  46           HA       ALA  46   0.197   0.922   5.139
  391   1HB   ALA  46          1HB       ALA  46   0.321   2.862   6.282
  392   2HB   ALA  46          2HB       ALA  46  -1.399   2.953   5.907
  393   3HB   ALA  46          3HB       ALA  46  -0.233   3.828   4.915
  394    H    ALA  47           H        ALA  47  -1.562   2.473   2.531
  395    HA   ALA  47           HA       ALA  47  -4.128   1.466   3.248
  396   1HB   ALA  47          1HB       ALA  47  -3.021   2.635   0.711
  397   2HB   ALA  47          2HB       ALA  47  -4.110   3.382   1.879
  398   3HB   ALA  47          3HB       ALA  47  -4.686   2.071   0.849
  399    H    ASP  48           H        ASP  48  -1.524   0.324   1.169
  400    HA   ASP  48           HA       ASP  48  -2.900  -1.739  -0.130
  401   1HB   ASP  48          2HB       ASP  48  -0.052  -1.096   0.407
  402   2HB   ASP  48          1HB       ASP  48  -0.415  -2.761  -0.034
  403    H    HIS  49           H        HIS  49  -1.065  -1.752   2.909
  404    HA   HIS  49           HA       HIS  49  -1.260  -4.478   3.474
  405   1HB   HIS  49          2HB       HIS  49  -0.824  -2.015   5.096
  406   2HB   HIS  49          1HB       HIS  49  -1.212  -3.504   5.951
  407    HD1  HIS  49           1HD      HIS  49   1.613  -1.663   5.119
  408    HD2  HIS  49           2HD      HIS  49   0.647  -5.683   4.701
  409    HE1  HIS  49           1HE      HIS  49   3.812  -2.864   4.905
  410    HE2  HIS  49           2HE      HIS  49   3.205  -5.304   4.741
  411    H    ARG  50           H        ARG  50  -3.413  -1.806   4.406
  412    HA   ARG  50           HA       ARG  50  -5.250  -3.425   5.828
  413   1HB   ARG  50          2HB       ARG  50  -4.883  -0.723   5.486
  414   2HB   ARG  50          1HB       ARG  50  -6.367  -1.013   4.586
  415   1HG   ARG  50          2HG       ARG  50  -6.003  -2.010   7.390
  416   2HG   ARG  50          1HG       ARG  50  -6.573  -0.376   7.044
  417   1HD   ARG  50          2HD       ARG  50  -8.094  -2.072   5.415
  418   2HD   ARG  50          1HD       ARG  50  -8.012  -2.870   6.985
  419    HE   ARG  50           HE       ARG  50  -9.390  -0.424   6.344
  420   1HH1  ARG  50          1HH1      ARG  50  -7.975  -2.343   8.894
  421   2HH1  ARG  50          2HH1      ARG  50  -8.934  -1.620  10.140
  422   1HH2  ARG  50          1HH2      ARG  50 -10.652   0.528   7.984
  423   2HH2  ARG  50          2HH2      ARG  50 -10.455   0.010   9.625
  424    H    LEU  51           H        LEU  51  -5.025  -2.389   2.476
  425    HA   LEU  51           HA       LEU  51  -7.582  -3.415   1.713
  426   1HB   LEU  51          2HB       LEU  51  -5.360  -2.033   0.450
  427   2HB   LEU  51          1HB       LEU  51  -6.015  -3.286  -0.584
  428    HG   LEU  51           HG       LEU  51  -7.977  -1.461   0.685
  429   1HD1  LEU  51          1HD1      LEU  51  -5.912  -0.127  -0.179
  430   2HD1  LEU  51          2HD1      LEU  51  -7.542   0.397  -0.598
  431   3HD1  LEU  51          3HD1      LEU  51  -6.577  -0.502  -1.769
  432   1HD2  LEU  51          1HD2      LEU  51  -7.684  -3.104  -1.755
  433   2HD2  LEU  51          2HD2      LEU  51  -8.630  -1.622  -1.905
  434   3HD2  LEU  51          3HD2      LEU  51  -9.088  -2.846  -0.721
  435    H    ALA  52           H        ALA  52  -4.339  -4.679   1.895
  436    HA   ALA  52           HA       ALA  52  -4.626  -6.929   0.238
  437   1HB   ALA  52          1HB       ALA  52  -2.845  -7.655   2.251
  438   2HB   ALA  52          2HB       ALA  52  -2.691  -5.904   2.110
  439   3HB   ALA  52          3HB       ALA  52  -2.455  -6.926   0.693
  440    H    GLU  53           H        GLU  53  -4.980  -6.632   3.777
  441    HA   GLU  53           HA       GLU  53  -5.778  -9.325   4.149
  442   1HB   GLU  53          2HB       GLU  53  -6.633  -8.444   6.383
  443   2HB   GLU  53          1HB       GLU  53  -4.916  -8.240   6.055
  444   1HG   GLU  53          2HG       GLU  53  -5.051  -6.011   6.099
  445   2HG   GLU  53          1HG       GLU  53  -6.565  -5.987   5.199
  446    H    LEU  54           H        LEU  54  -7.500  -6.389   3.376
  447    HA   LEU  54           HA       LEU  54 -10.103  -7.190   4.030
  448   1HB   LEU  54          2HB       LEU  54  -8.999  -4.930   3.019
  449   2HB   LEU  54          1HB       LEU  54  -9.780  -5.567   1.585
  450    HG   LEU  54           HG       LEU  54 -11.916  -5.694   2.934
  451   1HD1  LEU  54          1HD1      LEU  54 -10.192  -4.174   4.871
  452   2HD1  LEU  54          2HD1      LEU  54 -11.139  -5.634   5.161
  453   3HD1  LEU  54          3HD1      LEU  54 -11.953  -4.094   4.888
  454   1HD2  LEU  54          1HD2      LEU  54 -12.066  -3.953   1.499
  455   2HD2  LEU  54          2HD2      LEU  54 -10.526  -3.258   2.006
  456   3HD2  LEU  54          3HD2      LEU  54 -11.968  -3.016   2.991
  457    H    THR  55           H        THR  55  -8.169  -7.686   1.129
  458    HA   THR  55           HA       THR  55 -10.297  -9.078  -0.245
  459    HB   THR  55           HB       THR  55  -7.372  -8.757  -0.954
  460    HG1  THR  55           1HG      THR  55  -8.189  -7.173  -2.386
  461   1HG2  THR  55          1HG2      THR  55  -7.723  -9.686  -2.989
  462   2HG2  THR  55          2HG2      THR  55  -9.436  -9.269  -3.012
  463   3HG2  THR  55          3HG2      THR  55  -8.874 -10.637  -2.051
  464    H    MET  56           H        MET  56  -7.475  -9.857   1.655
  465    HA   MET  56           HA       MET  56  -7.751 -12.711   1.087
  466   1HB   MET  56          2HB       MET  56  -5.551 -11.140   1.480
  467   2HB   MET  56          1HB       MET  56  -5.767 -11.854   3.072
  468   1HG   MET  56          2HG       MET  56  -4.332 -13.327   2.008
  469   2HG   MET  56          1HG       MET  56  -5.910 -14.091   1.826
  470   1HE   MET  56          1HE       MET  56  -2.947 -14.074  -0.952
  471   2HE   MET  56          2HE       MET  56  -2.863 -13.278   0.619
  472   3HE   MET  56          3HE       MET  56  -2.988 -12.314  -0.853
  473    H    ASN  57           H        ASN  57  -9.636 -11.001   2.756
  474    HA   ASN  57           HA       ASN  57 -11.015 -11.424   4.506
  475   1HB   ASN  57          2HB       ASN  57  -9.278 -13.792   5.207
  476   2HB   ASN  57          1HB       ASN  57 -10.934 -13.495   5.720
  477   1HD2  ASN  57          1HD2      ASN  57 -11.875 -15.268   4.873
  478   2HD2  ASN  57          2HD2      ASN  57 -11.960 -15.607   3.181
  479    H    LYS  58           H        LYS  58  -7.830 -12.481   5.707
  480    HA   LYS  58           HA       LYS  58  -7.521 -10.079   7.262
  481   1HB   LYS  58          2HB       LYS  58  -8.289 -12.682   8.536
  482   2HB   LYS  58          1HB       LYS  58  -7.275 -11.541   9.406
  483   1HG   LYS  58          2HG       LYS  58 -10.078 -11.101   8.407
  484   2HG   LYS  58          1HG       LYS  58  -9.532 -11.196  10.082
  485   1HD   LYS  58          2HD       LYS  58  -8.934  -9.026   8.075
  486   2HD   LYS  58          1HD       LYS  58  -9.891  -8.891   9.550
  487   1HE   LYS  58          2HE       LYS  58  -7.497  -9.832  10.491
  488   2HE   LYS  58          1HE       LYS  58  -6.992  -8.781   9.169
  489   1HZ   LYS  58          1HZ       LYS  58  -7.103  -7.503  11.163
  490   2HZ   LYS  58          2HZ       LYS  58  -8.675  -8.032  11.497
  491   3HZ   LYS  58          3HZ       LYS  58  -8.388  -7.019  10.173
  492    H    LEU  59           H        LEU  59  -5.972 -11.289   5.242
  493    HA   LEU  59           HA       LEU  59  -3.603 -12.109   6.787
  494   1HB   LEU  59          2HB       LEU  59  -4.341 -13.968   5.472
  495   2HB   LEU  59          1HB       LEU  59  -4.489 -12.970   4.040
  496    HG   LEU  59           HG       LEU  59  -2.488 -14.544   4.169
  497   1HD1  LEU  59          1HD1      LEU  59  -2.858 -12.267   2.825
  498   2HD1  LEU  59          2HD1      LEU  59  -1.373 -13.214   2.718
  499   3HD1  LEU  59          3HD1      LEU  59  -1.445 -11.805   3.778
  500   1HD2  LEU  59          1HD2      LEU  59  -1.778 -14.201   6.421
  501   2HD2  LEU  59          2HD2      LEU  59  -1.631 -12.461   6.169
  502   3HD2  LEU  59          3HD2      LEU  59  -0.519 -13.566   5.360
  503    H    TYR  60           H        TYR  60  -2.073 -10.621   6.813
  504    HA   TYR  60           HA       TYR  60  -1.558  -9.073   4.384
  505   1HB   TYR  60          2HB       TYR  60  -1.543  -7.003   5.441
  506   2HB   TYR  60          1HB       TYR  60  -2.919  -7.800   6.187
  507    HD1  TYR  60           1HD      TYR  60  -2.980  -8.178   8.528
  508    HD2  TYR  60           2HD      TYR  60   0.624  -6.883   6.678
  509    HE1  TYR  60           1HE      TYR  60  -2.002  -7.758  10.747
  510    HE2  TYR  60           2HE      TYR  60   1.615  -6.458   8.892
  511    HH   TYR  60           HH       TYR  60   0.377  -5.907  11.388
  512    H    ASP  61           H        ASP  61   0.604  -8.061   4.379
  513    HA   ASP  61           HA       ASP  61   2.847  -7.951   4.874
  514   1HB   ASP  61          2HB       ASP  61   2.075  -8.647   7.283
  515   2HB   ASP  61          1HB       ASP  61   2.691 -10.228   6.814
  516    H    LYS  62           H        LYS  62   1.352 -11.157   4.731
  517    HA   LYS  62           HA       LYS  62   3.640 -12.175   3.233
  518   1HB   LYS  62          2HB       LYS  62   1.540 -13.340   4.884
  519   2HB   LYS  62          1HB       LYS  62   1.749 -14.204   3.367
  520   1HG   LYS  62          2HG       LYS  62   4.300 -13.614   4.572
  521   2HG   LYS  62          1HG       LYS  62   3.250 -14.484   5.693
  522   1HD   LYS  62          2HD       LYS  62   2.997 -16.298   4.205
  523   2HD   LYS  62          1HD       LYS  62   3.654 -15.377   2.850
  524   1HE   LYS  62          2HE       LYS  62   5.820 -15.266   4.164
  525   2HE   LYS  62          1HE       LYS  62   5.117 -16.474   5.239
  526   1HZ   LYS  62          1HZ       LYS  62   5.068 -18.055   3.548
  527   2HZ   LYS  62          2HZ       LYS  62   6.563 -17.293   3.333
  528   3HZ   LYS  62          3HZ       LYS  62   5.265 -16.909   2.320
  529    H    ILE  63           H        ILE  63   1.449 -10.230   2.259
  530    HA   ILE  63           HA       ILE  63  -0.113 -11.522   0.317
  531    HB   ILE  63           HB       ILE  63   0.945  -8.696   0.192
  532   1HG1  ILE  63          2HG1      ILE  63  -1.776  -8.847   1.059
  533   2HG1  ILE  63          1HG1      ILE  63  -0.809  -9.899   2.088
  534   1HG2  ILE  63          1HG2      ILE  63  -1.008 -10.241  -1.385
  535   2HG2  ILE  63          2HG2      ILE  63  -0.001  -8.870  -1.849
  536   3HG2  ILE  63          3HG2      ILE  63  -1.490  -8.603  -0.943
  537   1HD1  ILE  63          1HD1      ILE  63   0.740  -7.956   2.436
  538   2HD1  ILE  63          2HD1      ILE  63  -0.877  -7.771   3.119
  539   3HD1  ILE  63          3HD1      ILE  63  -0.456  -6.955   1.612
  540    HA   PRO  64           HA       PRO  64   3.337 -12.741  -2.350
  541   1HB   PRO  64          2HB       PRO  64   1.071 -13.537  -4.093
  542   2HB   PRO  64          1HB       PRO  64   2.461 -14.484  -3.552
  543   1HG   PRO  64          2HG       PRO  64   0.038 -14.906  -2.524
  544   2HG   PRO  64          1HG       PRO  64   1.490 -14.991  -1.509
  545   1HD   PRO  64          2HD       PRO  64  -0.545 -12.807  -1.736
  546   2HD   PRO  64          1HD       PRO  64   0.294 -13.426  -0.294
  547    H    SER  65           H        SER  65   3.542 -12.535  -4.896
  548    HA   SER  65           HA       SER  65   3.094  -9.719  -5.467
  549   1HB   SER  65          2HB       SER  65   4.644 -10.052  -7.333
  550   2HB   SER  65          1HB       SER  65   5.333 -10.693  -5.841
  551    HG   SER  65           HG       SER  65   5.347 -12.607  -6.702
  552    H    SER  66           H        SER  66   2.028 -12.862  -6.546
  553    HA   SER  66           HA       SER  66   0.798 -11.953  -8.958
  554   1HB   SER  66          2HB       SER  66   1.527 -14.374  -8.220
  555   2HB   SER  66          1HB       SER  66  -0.104 -14.439  -7.553
  556    HG   SER  66           HG       SER  66  -0.759 -13.702  -9.743
  557    H    VAL  67           H        VAL  67  -0.365 -12.644  -5.683
  558    HA   VAL  67           HA       VAL  67  -3.097 -12.325  -6.123
  559    HB   VAL  67           HB       VAL  67  -1.628 -11.503  -3.617
  560   1HG1  VAL  67          1HG1      VAL  67  -3.720 -10.890  -3.066
  561   2HG1  VAL  67          2HG1      VAL  67  -3.974 -12.619  -2.835
  562   3HG1  VAL  67          3HG1      VAL  67  -4.451 -11.854  -4.350
  563   1HG2  VAL  67          1HG2      VAL  67  -2.447 -13.962  -3.029
  564   2HG2  VAL  67          2HG2      VAL  67  -0.876 -13.646  -3.765
  565   3HG2  VAL  67          3HG2      VAL  67  -2.231 -14.170  -4.766
  566    H    TRP  68           H        TRP  68  -0.832  -9.876  -4.844
  567    HA   TRP  68           HA       TRP  68  -2.615  -7.733  -4.883
  568   1HB   TRP  68          2HB       TRP  68   0.161  -8.128  -4.371
  569   2HB   TRP  68          1HB       TRP  68   0.004  -6.755  -5.461
  570    HD1  TRP  68           HD       TRP  68   0.770  -6.815  -2.208
  571    HE1  TRP  68           1HE      TRP  68  -0.498  -5.152  -0.713
  572    HE3  TRP  68           3HE      TRP  68  -3.232  -5.867  -5.247
  573    HZ2  TRP  68           2HZ      TRP  68  -2.878  -3.638  -0.804
  574    HZ3  TRP  68           3HZ      TRP  68  -4.960  -4.301  -4.467
  575    HH2  TRP  68           HH       TRP  68  -4.786  -3.210  -2.290
  576    H    LYS  69           H        LYS  69  -0.611  -9.093  -7.417
  577    HA   LYS  69           HA       LYS  69  -0.780  -7.012  -9.284
  578   1HB   LYS  69          2HB       LYS  69   0.183  -9.690  -9.223
  579   2HB   LYS  69          1HB       LYS  69  -0.821  -9.515 -10.656
  580   1HG   LYS  69          2HG       LYS  69   1.169  -7.389 -10.104
  581   2HG   LYS  69          1HG       LYS  69   1.762  -8.954 -10.665
  582   1HD   LYS  69          2HD       LYS  69   1.426  -7.900 -12.672
  583   2HD   LYS  69          1HD       LYS  69  -0.149  -8.665 -12.451
  584   1HE   LYS  69          2HE       LYS  69  -1.167  -6.662 -11.823
  585   2HE   LYS  69          1HE       LYS  69   0.373  -5.889 -11.452
  586   1HZ   LYS  69          1HZ       LYS  69  -0.866  -6.379 -14.079
  587   2HZ   LYS  69          2HZ       LYS  69   0.813  -6.202 -13.956
  588   3HZ   LYS  69          3HZ       LYS  69  -0.208  -4.948 -13.459
  589    H    PHE  70           H        PHE  70  -2.948  -9.717  -8.617
  590    HA   PHE  70           HA       PHE  70  -4.715  -9.122 -10.791
  591   1HB   PHE  70          2HB       PHE  70  -4.440 -11.396  -9.763
  592   2HB   PHE  70          1HB       PHE  70  -5.287 -10.797  -8.341
  593    HD1  PHE  70           1HD      PHE  70  -5.642 -11.417 -11.971
  594    HD2  PHE  70           2HD      PHE  70  -7.628 -10.725  -8.272
  595    HE1  PHE  70           1HE      PHE  70  -7.793 -11.980 -13.025
  596    HE2  PHE  70           2HE      PHE  70  -9.783 -11.287  -9.318
  597    HZ   PHE  70           HZ       PHE  70  -9.867 -11.916 -11.698
  598    H    ILE  71           H        ILE  71  -4.729  -8.526  -7.301
  599    HA   ILE  71           HA       ILE  71  -7.292  -7.332  -7.202
  600    HB   ILE  71           HB       ILE  71  -4.980  -6.825  -5.327
  601   1HG1  ILE  71          2HG1      ILE  71  -7.129  -8.809  -4.733
  602   2HG1  ILE  71          1HG1      ILE  71  -5.845  -9.287  -5.838
  603   1HG2  ILE  71          1HG2      ILE  71  -7.954  -6.637  -4.868
  604   2HG2  ILE  71          2HG2      ILE  71  -6.876  -5.266  -5.131
  605   3HG2  ILE  71          3HG2      ILE  71  -6.684  -6.278  -3.699
  606   1HD1  ILE  71          1HD1      ILE  71  -5.703  -9.670  -3.219
  607   2HD1  ILE  71          2HD1      ILE  71  -5.027  -8.042  -3.286
  608   3HD1  ILE  71          3HD1      ILE  71  -4.280  -9.347  -4.209
  609    H    ARG  72           H        ARG  72  -7.964  -5.314  -7.627
  610    HA   ARG  72           HA       ARG  72  -5.975  -3.403  -8.615
  611   1HB   ARG  72          2HB       ARG  72  -8.988  -3.376  -8.877
  612   2HB   ARG  72          1HB       ARG  72  -7.881  -2.237  -9.631
  613   1HG   ARG  72          2HG       ARG  72  -7.218  -3.716 -11.224
  614   2HG   ARG  72          1HG       ARG  72  -7.465  -5.118 -10.182
  615   1HD   ARG  72          2HD       ARG  72  -9.597  -5.382 -10.837
  616   2HD   ARG  72          1HD       ARG  72  -9.914  -3.648 -10.837
  617    HE   ARG  72           HE       ARG  72  -9.133  -5.267 -13.075
  618   1HH1  ARG  72          1HH1      ARG  72  -9.138  -2.038 -11.754
  619   2HH1  ARG  72          2HH1      ARG  72  -9.024  -1.270 -13.301
  620   1HH2  ARG  72          1HH2      ARG  72  -8.980  -4.259 -15.111
  621   2HH2  ARG  72          2HH2      ARG  72  -8.933  -2.530 -15.208
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1   7.951   5.606  15.903
    2   2H    MET   1          2HT       MET   1   7.255   6.757  16.969
    3   3H    MET   1          3HT       MET   1   8.814   6.116  17.293
    4    HA   MET   1           HA       MET   1   8.203   7.608  14.845
    5   1HB   MET   1          2HB       MET   1   9.020   9.607  15.977
    6   2HB   MET   1          1HB       MET   1   7.608   8.972  16.810
    7   1HG   MET   1          2HG       MET   1   9.610   7.730  18.151
    8   2HG   MET   1          1HG       MET   1  10.375   9.260  17.728
    9   1HE   MET   1          1HE       MET   1  10.795   9.469  20.041
   10   2HE   MET   1          2HE       MET   1   9.665   9.954  21.305
   11   3HE   MET   1          3HE       MET   1  10.161  11.115  20.073
   12    H    SER   2           H        SER   2   9.767   6.952  13.510
   13    HA   SER   2           HA       SER   2  12.488   6.643  14.601
   14   1HB   SER   2          2HB       SER   2  10.943   5.021  12.644
   15   2HB   SER   2          1HB       SER   2  12.665   5.231  12.329
   16    HG   SER   2           HG       SER   2  11.900   3.395  13.735
   17    H    GLU   3           H        GLU   3  10.548   7.774  11.876
   18    HA   GLU   3           HA       GLU   3  12.881   9.301  10.925
   19   1HB   GLU   3          2HB       GLU   3  11.725   7.564   9.401
   20   2HB   GLU   3          1HB       GLU   3  10.429   8.745   9.277
   21   1HG   GLU   3          2HG       GLU   3  11.537   9.860   7.727
   22   2HG   GLU   3          1HG       GLU   3  12.924  10.043   8.800
   23    H    LYS   4           H        LYS   4  12.643  11.484  10.419
   24    HA   LYS   4           HA       LYS   4  10.962  12.989  12.057
   25   1HB   LYS   4          2HB       LYS   4  13.026  13.499  10.182
   26   2HB   LYS   4          1HB       LYS   4  11.668  14.527   9.745
   27   1HG   LYS   4          2HG       LYS   4  11.648  15.083  12.298
   28   2HG   LYS   4          1HG       LYS   4  13.318  14.518  12.222
   29   1HD   LYS   4          2HD       LYS   4  13.727  16.126  10.378
   30   2HD   LYS   4          1HD       LYS   4  12.086  16.739  10.594
   31   1HE   LYS   4          2HE       LYS   4  13.236  18.232  11.887
   32   2HE   LYS   4          1HE       LYS   4  12.879  16.998  13.094
   33   1HZ   LYS   4          1HZ       LYS   4  15.047  16.186  13.008
   34   2HZ   LYS   4          2HZ       LYS   4  15.250  17.865  12.962
   35   3HZ   LYS   4          3HZ       LYS   4  15.395  16.958  11.543
   36    HA   PRO   5           HA       PRO   5   8.094  13.841   8.301
   37   1HB   PRO   5          2HB       PRO   5   8.542  12.549   5.972
   38   2HB   PRO   5          1HB       PRO   5   9.347  14.069   6.381
   39   1HG   PRO   5          2HG       PRO   5  10.380  11.266   6.576
   40   2HG   PRO   5          1HG       PRO   5  11.201  12.721   5.983
   41   1HD   PRO   5          2HD       PRO   5  11.591  11.711   8.478
   42   2HD   PRO   5          1HD       PRO   5  11.725  13.440   8.102
   43    H    LEU   6           H        LEU   6   7.607  12.025  10.195
   44    HA   LEU   6           HA       LEU   6   6.305  10.264  10.796
   45   1HB   LEU   6          2HB       LEU   6   5.274  10.858   8.039
   46   2HB   LEU   6          1HB       LEU   6   4.604   9.551   8.997
   47    HG   LEU   6           HG       LEU   6   3.241  11.565   9.183
   48   1HD1  LEU   6          1HD1      LEU   6   3.964   9.942  11.199
   49   2HD1  LEU   6          2HD1      LEU   6   2.795  11.251  11.369
   50   3HD1  LEU   6          3HD1      LEU   6   4.471  11.496  11.860
   51   1HD2  LEU   6          1HD2      LEU   6   5.032  13.202   8.791
   52   2HD2  LEU   6          2HD2      LEU   6   5.691  12.847  10.388
   53   3HD2  LEU   6          3HD2      LEU   6   4.092  13.577  10.236
   54    H    THR   7           H        THR   7   5.779   7.959  10.351
   55    HA   THR   7           HA       THR   7   7.781   6.702   8.598
   56    HB   THR   7           HB       THR   7   7.498   4.839  10.544
   57    HG1  THR   7           1HG      THR   7   6.298   6.034  11.943
   58   1HG2  THR   7          1HG2      THR   7   9.459   7.038  10.186
   59   2HG2  THR   7          2HG2      THR   7   9.678   5.292  10.072
   60   3HG2  THR   7          3HG2      THR   7   9.535   6.062  11.652
   61    H    LYS   8           H        LYS   8   7.235   4.324   8.222
   62    HA   LYS   8           HA       LYS   8   4.697   4.165   7.006
   63   1HB   LYS   8          2HB       LYS   8   6.921   2.236   7.516
   64   2HB   LYS   8          1HB       LYS   8   5.366   1.614   6.979
   65   1HG   LYS   8          2HG       LYS   8   5.590   2.460   4.896
   66   2HG   LYS   8          1HG       LYS   8   6.476   3.882   5.448
   67   1HD   LYS   8          2HD       LYS   8   8.470   2.498   5.794
   68   2HD   LYS   8          1HD       LYS   8   7.582   1.083   5.227
   69   1HE   LYS   8          2HE       LYS   8   8.876   1.864   3.396
   70   2HE   LYS   8          1HE       LYS   8   7.201   2.311   3.070
   71   1HZ   LYS   8          1HZ       LYS   8   7.918   4.518   4.215
   72   2HZ   LYS   8          2HZ       LYS   8   8.294   4.248   2.588
   73   3HZ   LYS   8          3HZ       LYS   8   9.477   4.027   3.777
   74    H    THR   9           H        THR   9   5.851   3.256  10.166
   75    HA   THR   9           HA       THR   9   3.580   1.604  10.789
   76    HB   THR   9           HB       THR   9   5.785   1.223  11.828
   77    HG1  THR   9           1HG      THR   9   3.804   1.972  13.711
   78   1HG2  THR   9          1HG2      THR   9   6.106   3.830  12.130
   79   2HG2  THR   9          2HG2      THR   9   6.882   2.657  13.194
   80   3HG2  THR   9          3HG2      THR   9   5.406   3.475  13.709
   81    H    ASP  10           H        ASP  10   4.544   4.940  11.336
   82    HA   ASP  10           HA       ASP  10   2.656   5.667  13.253
   83   1HB   ASP  10          2HB       ASP  10   4.450   7.026  11.420
   84   2HB   ASP  10          1HB       ASP  10   2.937   7.907  11.605
   85    H    TYR  11           H        TYR  11   2.424   5.861   9.704
   86    HA   TYR  11           HA       TYR  11  -0.314   6.715   9.778
   87   1HB   TYR  11          2HB       TYR  11   1.730   6.223   7.727
   88   2HB   TYR  11          1HB       TYR  11   0.095   5.819   7.215
   89    HD1  TYR  11           1HD      TYR  11   2.309   8.534   8.339
   90    HD2  TYR  11           2HD      TYR  11  -1.553   7.533   6.859
   91    HE1  TYR  11           1HE      TYR  11   1.870  10.912   7.891
   92    HE2  TYR  11           2HE      TYR  11  -2.002   9.908   6.406
   93    HH   TYR  11           HH       TYR  11  -0.293  12.044   5.923
   94    H    LEU  12           H        LEU  12   1.366   3.686   9.028
   95    HA   LEU  12           HA       LEU  12  -0.815   2.144   8.262
   96   1HB   LEU  12          2HB       LEU  12   1.461   1.362   8.013
   97   2HB   LEU  12          1HB       LEU  12   1.682   1.338   9.752
   98    HG   LEU  12           HG       LEU  12  -0.284  -0.382   9.711
   99   1HD1  LEU  12          1HD1      LEU  12  -0.710   0.020   7.272
  100   2HD1  LEU  12          2HD1      LEU  12  -0.497  -1.670   7.729
  101   3HD1  LEU  12          3HD1      LEU  12   0.818  -0.796   6.943
  102   1HD2  LEU  12          1HD2      LEU  12   2.450  -1.147   8.699
  103   2HD2  LEU  12          2HD2      LEU  12   1.309  -2.188   9.547
  104   3HD2  LEU  12          3HD2      LEU  12   2.050  -0.825  10.386
  105    H    MET  13           H        MET  13   0.424   2.854  11.493
  106    HA   MET  13           HA       MET  13  -1.384   1.121  12.852
  107   1HB   MET  13          2HB       MET  13   0.299   3.443  13.801
  108   2HB   MET  13          1HB       MET  13  -0.675   2.450  14.878
  109   1HG   MET  13          2HG       MET  13   1.166   0.995  13.100
  110   2HG   MET  13          1HG       MET  13   1.914   1.994  14.345
  111   1HE   MET  13          1HE       MET  13  -1.282  -1.132  15.464
  112   2HE   MET  13          2HE       MET  13  -0.859  -0.813  13.781
  113   3HE   MET  13          3HE       MET  13  -1.607   0.451  14.758
  114    H    ARG  14           H        ARG  14  -1.396   4.550  12.024
  115    HA   ARG  14           HA       ARG  14  -3.784   5.138  13.480
  116   1HB   ARG  14          2HB       ARG  14  -1.790   6.620  12.194
  117   2HB   ARG  14          1HB       ARG  14  -3.259   6.969  11.295
  118   1HG   ARG  14          2HG       ARG  14  -4.159   8.154  12.974
  119   2HG   ARG  14          1HG       ARG  14  -3.548   7.059  14.214
  120   1HD   ARG  14          2HD       ARG  14  -1.234   8.128  13.446
  121   2HD   ARG  14          1HD       ARG  14  -2.298   9.464  13.009
  122    HE   ARG  14           HE       ARG  14  -3.026   8.805  15.559
  123   1HH1  ARG  14          1HH1      ARG  14  -0.041   9.737  14.009
  124   2HH1  ARG  14          2HH1      ARG  14   0.603  10.496  15.427
  125   1HH2  ARG  14          1HH2      ARG  14  -2.181   9.802  17.424
  126   2HH2  ARG  14          2HH2      ARG  14  -0.611  10.533  17.366
  127    H    LEU  15           H        LEU  15  -3.043   4.092  10.230
  128    HA   LEU  15           HA       LEU  15  -5.470   4.721   8.981
  129   1HB   LEU  15          2HB       LEU  15  -3.140   3.633   8.157
  130   2HB   LEU  15          1HB       LEU  15  -4.145   2.198   8.191
  131    HG   LEU  15           HG       LEU  15  -5.298   4.553   6.819
  132   1HD1  LEU  15          1HD1      LEU  15  -2.870   4.534   6.168
  133   2HD1  LEU  15          2HD1      LEU  15  -4.013   4.331   4.840
  134   3HD1  LEU  15          3HD1      LEU  15  -3.145   2.935   5.480
  135   1HD2  LEU  15          1HD2      LEU  15  -6.321   2.948   5.483
  136   2HD2  LEU  15          2HD2      LEU  15  -6.251   2.172   7.066
  137   3HD2  LEU  15          3HD2      LEU  15  -5.082   1.738   5.817
  138    H    ARG  16           H        ARG  16  -4.450   1.793  10.707
  139    HA   ARG  16           HA       ARG  16  -6.950   0.457  10.327
  140   1HB   ARG  16          2HB       ARG  16  -4.534  -0.473  10.889
  141   2HB   ARG  16          1HB       ARG  16  -5.100  -0.296  12.544
  142   1HG   ARG  16          2HG       ARG  16  -7.203  -1.576  11.389
  143   2HG   ARG  16          1HG       ARG  16  -5.839  -2.250  10.494
  144   1HD   ARG  16          2HD       ARG  16  -5.249  -3.515  12.224
  145   2HD   ARG  16          1HD       ARG  16  -5.234  -2.123  13.305
  146    HE   ARG  16           HE       ARG  16  -7.889  -2.975  12.804
  147   1HH1  ARG  16          1HH1      ARG  16  -5.020  -3.827  14.599
  148   2HH1  ARG  16          2HH1      ARG  16  -5.893  -4.651  15.846
  149   1HH2  ARG  16          1HH2      ARG  16  -9.040  -4.060  14.443
  150   2HH2  ARG  16          2HH2      ARG  16  -8.175  -4.785  15.758
  151    H    ARG  17           H        ARG  17  -5.838   2.852  12.498
  152    HA   ARG  17           HA       ARG  17  -7.217   2.311  14.838
  153   1HB   ARG  17          2HB       ARG  17  -5.597   4.257  14.207
  154   2HB   ARG  17          1HB       ARG  17  -7.071   5.107  13.766
  155   1HG   ARG  17          2HG       ARG  17  -7.921   4.895  16.009
  156   2HG   ARG  17          1HG       ARG  17  -6.537   3.905  16.474
  157   1HD   ARG  17          2HD       ARG  17  -5.082   5.694  16.459
  158   2HD   ARG  17          1HD       ARG  17  -6.077   6.628  15.342
  159    HE   ARG  17           HE       ARG  17  -6.275   6.567  18.209
  160   1HH1  ARG  17          1HH1      ARG  17  -7.990   7.198  15.236
  161   2HH1  ARG  17          2HH1      ARG  17  -9.148   8.247  15.982
  162   1HH2  ARG  17          1HH2      ARG  17  -7.797   7.947  19.191
  163   2HH2  ARG  17          2HH2      ARG  17  -9.039   8.673  18.226
  164    H    CYS  18           H        CYS  18  -8.420   3.432  11.767
  165    HA   CYS  18           HA       CYS  18 -10.872   4.516  12.564
  166   1HB   CYS  18          2HB       CYS  18  -9.718   3.464  10.063
  167   2HB   CYS  18          1HB       CYS  18 -11.476   3.401  10.148
  168    HG   CYS  18           HG       CYS  18 -10.898   6.136  10.866
  169    H    GLN  19           H        GLN  19 -13.030   3.572  12.310
  170    HA   GLN  19           HA       GLN  19 -13.062   0.816  13.318
  171   1HB   GLN  19          2HB       GLN  19 -14.129   2.694  14.640
  172   2HB   GLN  19          1HB       GLN  19 -15.333   2.802  13.363
  173   1HG   GLN  19          2HG       GLN  19 -16.505   1.297  14.487
  174   2HG   GLN  19          1HG       GLN  19 -15.286   0.113  14.016
  175   1HE2  GLN  19          1HE2      GLN  19 -13.446  -0.148  15.475
  176   2HE2  GLN  19          2HE2      GLN  19 -13.698   0.039  17.173
  177    H    THR  20           H        THR  20 -14.208   2.852  10.723
  178    HA   THR  20           HA       THR  20 -15.364   0.464   9.444
  179    HB   THR  20           HB       THR  20 -17.104   2.092  10.216
  180    HG1  THR  20           1HG      THR  20 -18.177   2.118   8.187
  181   1HG2  THR  20          1HG2      THR  20 -15.590   3.917   8.419
  182   2HG2  THR  20          2HG2      THR  20 -16.354   4.239   9.976
  183   3HG2  THR  20          3HG2      THR  20 -17.344   4.063   8.528
  184    H    ILE  21           H        ILE  21 -15.067   0.242   7.231
  185    HA   ILE  21           HA       ILE  21 -12.691   1.446   6.186
  186    HB   ILE  21           HB       ILE  21 -14.711  -0.372   4.865
  187   1HG1  ILE  21          2HG1      ILE  21 -13.588  -1.416   6.763
  188   2HG1  ILE  21          1HG1      ILE  21 -13.010  -2.119   5.255
  189   1HG2  ILE  21          1HG2      ILE  21 -12.984  -0.776   3.179
  190   2HG2  ILE  21          2HG2      ILE  21 -11.955   0.434   3.946
  191   3HG2  ILE  21          3HG2      ILE  21 -13.483   0.914   3.207
  192   1HD1  ILE  21          1HD1      ILE  21 -11.006  -1.823   6.220
  193   2HD1  ILE  21          2HD1      ILE  21 -11.584  -0.536   7.279
  194   3HD1  ILE  21          3HD1      ILE  21 -11.182  -0.182   5.599
  195    H    ASP  22           H        ASP  22 -16.133   1.894   5.734
  196    HA   ASP  22           HA       ASP  22 -16.201   3.312   3.361
  197   1HB   ASP  22          2HB       ASP  22 -17.903   3.515   5.841
  198   2HB   ASP  22          1HB       ASP  22 -18.245   4.451   4.388
  199    H    THR  23           H        THR  23 -15.832   4.636   6.657
  200    HA   THR  23           HA       THR  23 -15.586   7.317   5.869
  201    HB   THR  23           HB       THR  23 -15.123   5.745   8.315
  202    HG1  THR  23           1HG      THR  23 -16.734   6.953   8.821
  203   1HG2  THR  23          1HG2      THR  23 -13.994   7.584   9.500
  204   2HG2  THR  23          2HG2      THR  23 -13.672   8.348   7.943
  205   3HG2  THR  23          3HG2      THR  23 -12.965   6.777   8.317
  206    H    LEU  24           H        LEU  24 -13.185   4.767   6.349
  207    HA   LEU  24           HA       LEU  24 -10.875   6.317   6.008
  208   1HB   LEU  24          2HB       LEU  24 -11.540   3.541   6.195
  209   2HB   LEU  24          1HB       LEU  24 -10.424   3.763   4.861
  210    HG   LEU  24           HG       LEU  24  -9.981   4.560   7.731
  211   1HD1  LEU  24          1HD1      LEU  24  -8.146   2.768   6.270
  212   2HD1  LEU  24          2HD1      LEU  24  -9.725   2.109   6.695
  213   3HD1  LEU  24          3HD1      LEU  24  -8.664   2.737   7.955
  214   1HD2  LEU  24          1HD2      LEU  24  -8.991   5.895   5.549
  215   2HD2  LEU  24          2HD2      LEU  24  -7.715   4.728   5.899
  216   3HD2  LEU  24          3HD2      LEU  24  -8.250   5.852   7.148
  217    H    GLU  25           H        GLU  25 -13.037   4.797   3.709
  218    HA   GLU  25           HA       GLU  25 -11.503   5.081   1.388
  219   1HB   GLU  25          2HB       GLU  25 -13.855   3.939   1.899
  220   2HB   GLU  25          1HB       GLU  25 -14.447   5.440   1.200
  221   1HG   GLU  25          2HG       GLU  25 -14.275   4.345  -0.738
  222   2HG   GLU  25          1HG       GLU  25 -12.561   4.741  -0.611
  223    H    ARG  26           H        ARG  26 -13.483   7.415   3.112
  224    HA   ARG  26           HA       ARG  26 -13.426   9.352   0.981
  225   1HB   ARG  26          2HB       ARG  26 -15.266   9.215   2.673
  226   2HB   ARG  26          1HB       ARG  26 -14.125   9.759   3.894
  227   1HG   ARG  26          2HG       ARG  26 -13.772  11.815   2.475
  228   2HG   ARG  26          1HG       ARG  26 -15.158  11.282   1.521
  229   1HD   ARG  26          2HD       ARG  26 -16.626  11.919   3.090
  230   2HD   ARG  26          1HD       ARG  26 -15.644  11.267   4.401
  231    HE   ARG  26           HE       ARG  26 -14.295  13.495   3.676
  232   1HH1  ARG  26          1HH1      ARG  26 -17.630  12.898   4.517
  233   2HH1  ARG  26          2HH1      ARG  26 -17.877  14.480   5.174
  234   1HH2  ARG  26          1HH2      ARG  26 -14.619  15.577   4.541
  235   2HH2  ARG  26          2HH2      ARG  26 -16.169  16.002   5.188
  236    H    VAL  27           H        VAL  27 -11.444   8.425   3.609
  237    HA   VAL  27           HA       VAL  27  -9.915  10.899   3.526
  238    HB   VAL  27           HB       VAL  27  -8.618   9.030   5.224
  239   1HG1  VAL  27          1HG1      VAL  27  -9.073  10.675   6.909
  240   2HG1  VAL  27          2HG1      VAL  27 -10.404  11.338   5.959
  241   3HG1  VAL  27          3HG1      VAL  27  -8.742  11.514   5.392
  242   1HG2  VAL  27          1HG2      VAL  27 -10.309   8.413   6.788
  243   2HG2  VAL  27          2HG2      VAL  27 -10.774   7.824   5.198
  244   3HG2  VAL  27          3HG2      VAL  27 -11.547   9.258   5.859
  245    H    ILE  28           H        ILE  28  -9.855   7.674   2.305
  246    HA   ILE  28           HA       ILE  28  -7.074   7.435   1.840
  247    HB   ILE  28           HB       ILE  28  -9.368   6.252   0.252
  248   1HG1  ILE  28          2HG1      ILE  28  -9.666   5.080   2.172
  249   2HG1  ILE  28          1HG1      ILE  28  -8.281   4.164   1.601
  250   1HG2  ILE  28          1HG2      ILE  28  -6.449   5.501   0.274
  251   2HG2  ILE  28          2HG2      ILE  28  -7.312   6.293  -1.044
  252   3HG2  ILE  28          3HG2      ILE  28  -7.728   4.642  -0.585
  253   1HD1  ILE  28          1HD1      ILE  28  -8.220   6.434   3.576
  254   2HD1  ILE  28          2HD1      ILE  28  -6.810   5.562   2.977
  255   3HD1  ILE  28          3HD1      ILE  28  -8.029   4.718   3.933
  256    H    GLU  29           H        GLU  29  -9.769   8.608  -0.135
  257    HA   GLU  29           HA       GLU  29  -8.082   9.453  -2.294
  258   1HB   GLU  29          2HB       GLU  29 -10.976   9.555  -1.650
  259   2HB   GLU  29          1HB       GLU  29 -10.378  10.788  -2.752
  260   1HG   GLU  29          2HG       GLU  29  -9.654   9.177  -4.317
  261   2HG   GLU  29          1HG       GLU  29  -9.862   7.859  -3.163
  262    H    LYS  30           H        LYS  30  -9.474  10.968   0.555
  263    HA   LYS  30           HA       LYS  30  -8.834  13.643  -0.263
  264   1HB   LYS  30          2HB       LYS  30  -9.896  12.357   2.206
  265   2HB   LYS  30          1HB       LYS  30  -9.192  13.961   2.349
  266   1HG   LYS  30          2HG       LYS  30 -10.778  14.446   0.290
  267   2HG   LYS  30          1HG       LYS  30 -11.672  13.090   0.977
  268   1HD   LYS  30          2HD       LYS  30 -12.001  14.211   3.024
  269   2HD   LYS  30          1HD       LYS  30 -10.781  15.428   2.643
  270   1HE   LYS  30          2HE       LYS  30 -13.160  15.150   0.867
  271   2HE   LYS  30          1HE       LYS  30 -13.343  15.965   2.419
  272   1HZ   LYS  30          1HZ       LYS  30 -11.094  16.778   0.749
  273   2HZ   LYS  30          2HZ       LYS  30 -12.082  17.707   1.760
  274   3HZ   LYS  30          3HZ       LYS  30 -12.637  17.241   0.232
  275    H    ASN  31           H        ASN  31  -7.422  11.347   2.053
  276    HA   ASN  31           HA       ASN  31  -5.299  13.070   2.814
  277   1HB   ASN  31          2HB       ASN  31  -5.978  11.353   4.343
  278   2HB   ASN  31          1HB       ASN  31  -5.695  10.090   3.152
  279   1HD2  ASN  31          1HD2      ASN  31  -4.301  12.168   5.507
  280   2HD2  ASN  31          2HD2      ASN  31  -2.701  11.518   5.456
  281    H    LYS  32           H        LYS  32  -5.645  10.591   0.340
  282    HA   LYS  32           HA       LYS  32  -2.898  10.379  -0.306
  283   1HB   LYS  32          2HB       LYS  32  -3.595   9.258  -2.311
  284   2HB   LYS  32          1HB       LYS  32  -4.654   8.744  -1.009
  285   1HG   LYS  32          2HG       LYS  32  -6.182   9.098  -2.654
  286   2HG   LYS  32          1HG       LYS  32  -6.163  10.695  -1.907
  287   1HD   LYS  32          2HD       LYS  32  -5.250  11.665  -3.720
  288   2HD   LYS  32          1HD       LYS  32  -4.150  10.315  -4.004
  289   1HE   LYS  32          2HE       LYS  32  -6.979   9.722  -4.512
  290   2HE   LYS  32          1HE       LYS  32  -6.283  10.946  -5.573
  291   1HZ   LYS  32          1HZ       LYS  32  -5.669   9.131  -6.733
  292   2HZ   LYS  32          2HZ       LYS  32  -5.702   8.103  -5.390
  293   3HZ   LYS  32          3HZ       LYS  32  -4.371   9.114  -5.647
  294    H    TYR  33           H        TYR  33  -5.463  12.533  -1.367
  295    HA   TYR  33           HA       TYR  33  -3.680  13.855  -3.257
  296   1HB   TYR  33          2HB       TYR  33  -6.364  13.360  -3.337
  297   2HB   TYR  33          1HB       TYR  33  -6.337  15.030  -2.781
  298    HD1  TYR  33           1HD      TYR  33  -4.930  12.825  -5.440
  299    HD2  TYR  33           2HD      TYR  33  -6.145  16.749  -4.334
  300    HE1  TYR  33           1HE      TYR  33  -4.577  13.580  -7.753
  301    HE2  TYR  33           2HE      TYR  33  -5.797  17.514  -6.645
  302    HH   TYR  33           HH       TYR  33  -4.381  16.777  -8.635
  303    H    GLU  34           H        GLU  34  -4.165  14.019  -0.013
  304    HA   GLU  34           HA       GLU  34  -4.140  16.906   0.247
  305   1HB   GLU  34          2HB       GLU  34  -5.379  15.554   1.873
  306   2HB   GLU  34          1HB       GLU  34  -3.895  14.734   2.335
  307   1HG   GLU  34          2HG       GLU  34  -2.983  16.799   3.199
  308   2HG   GLU  34          1HG       GLU  34  -4.410  17.682   2.657
  309    H    LEU  35           H        LEU  35  -2.025  14.407   1.670
  310    HA   LEU  35           HA       LEU  35   0.126  16.149   2.092
  311   1HB   LEU  35          2HB       LEU  35   1.404  14.290   2.697
  312   2HB   LEU  35          1HB       LEU  35  -0.213  13.913   3.185
  313    HG   LEU  35           HG       LEU  35   1.549  12.503   1.342
  314   1HD1  LEU  35          1HD1      LEU  35   0.882  10.912   2.709
  315   2HD1  LEU  35          2HD1      LEU  35  -0.734  11.010   2.022
  316   3HD1  LEU  35          3HD1      LEU  35  -0.313  11.982   3.431
  317   1HD2  LEU  35          1HD2      LEU  35  -0.542  11.633   0.077
  318   2HD2  LEU  35          2HD2      LEU  35   0.287  13.079  -0.493
  319   3HD2  LEU  35          3HD2      LEU  35  -1.201  13.225   0.440
  320    H    SER  36           H        SER  36   2.297  14.627   1.064
  321    HA   SER  36           HA       SER  36   2.141  15.330  -1.794
  322   1HB   SER  36          2HB       SER  36   4.377  15.714   0.193
  323   2HB   SER  36          1HB       SER  36   4.678  15.689  -1.545
  324    HG   SER  36           HG       SER  36   4.339  17.806  -0.875
  325    H    ASP  37           H        ASP  37   4.260  14.232  -2.863
  326    HA   ASP  37           HA       ASP  37   3.706  11.483  -2.944
  327   1HB   ASP  37          2HB       ASP  37   5.757  11.304  -4.306
  328   2HB   ASP  37          1HB       ASP  37   4.748  12.652  -4.821
  329    H    ASN  38           H        ASN  38   5.781  13.367  -0.904
  330    HA   ASN  38           HA       ASN  38   7.471  11.232  -0.064
  331   1HB   ASN  38          2HB       ASN  38   7.578  13.948   0.162
  332   2HB   ASN  38          1HB       ASN  38   7.125  13.482   1.798
  333   1HD2  ASN  38          1HD2      ASN  38   8.454  11.029   1.932
  334   2HD2  ASN  38          2HD2      ASN  38  10.156  11.329   1.939
  335    H    GLU  39           H        GLU  39   4.640  12.829   1.426
  336    HA   GLU  39           HA       GLU  39   4.663  11.006   3.650
  337   1HB   GLU  39          2HB       GLU  39   3.882  13.239   4.035
  338   2HB   GLU  39          1HB       GLU  39   2.736  13.123   2.713
  339   1HG   GLU  39          2HG       GLU  39   1.243  12.699   4.303
  340   2HG   GLU  39          1HG       GLU  39   1.930  11.076   4.313
  341    H    LEU  40           H        LEU  40   3.048  11.315   0.572
  342    HA   LEU  40           HA       LEU  40   0.945   9.516   0.948
  343   1HB   LEU  40          2HB       LEU  40   1.105  11.022  -0.952
  344   2HB   LEU  40          1HB       LEU  40   2.491  10.144  -1.563
  345    HG   LEU  40           HG       LEU  40   0.089   8.496  -1.153
  346   1HD1  LEU  40          1HD1      LEU  40  -1.007  10.515  -1.900
  347   2HD1  LEU  40          2HD1      LEU  40  -1.006   9.322  -3.199
  348   3HD1  LEU  40          3HD1      LEU  40   0.131  10.671  -3.239
  349   1HD2  LEU  40          1HD2      LEU  40   1.586   8.789  -3.713
  350   2HD2  LEU  40          2HD2      LEU  40   0.887   7.349  -2.972
  351   3HD2  LEU  40          3HD2      LEU  40   2.385   8.028  -2.337
  352    H    ALA  41           H        ALA  41   4.330   8.980   0.148
  353    HA   ALA  41           HA       ALA  41   4.191   6.316  -0.675
  354   1HB   ALA  41          1HB       ALA  41   6.534   6.137   0.125
  355   2HB   ALA  41          2HB       ALA  41   6.360   7.716   0.892
  356   3HB   ALA  41          3HB       ALA  41   6.251   7.571  -0.862
  357    H    VAL  42           H        VAL  42   4.126   7.794   2.485
  358    HA   VAL  42           HA       VAL  42   4.249   5.326   3.946
  359    HB   VAL  42           HB       VAL  42   3.308   8.024   4.932
  360   1HG1  VAL  42          1HG1      VAL  42   3.077   5.652   6.186
  361   2HG1  VAL  42          2HG1      VAL  42   3.328   7.182   7.027
  362   3HG1  VAL  42          3HG1      VAL  42   4.697   6.119   6.703
  363   1HG2  VAL  42          1HG2      VAL  42   5.576   8.091   3.897
  364   2HG2  VAL  42          2HG2      VAL  42   6.098   6.892   5.079
  365   3HG2  VAL  42          3HG2      VAL  42   5.557   8.483   5.616
  366    H    PHE  43           H        PHE  43   1.757   7.399   2.599
  367    HA   PHE  43           HA       PHE  43  -0.399   6.194   4.060
  368   1HB   PHE  43          2HB       PHE  43  -0.366   8.525   3.010
  369   2HB   PHE  43          1HB       PHE  43  -0.650   7.718   1.471
  370    HD1  PHE  43           1HD      PHE  43  -2.819   7.940   0.782
  371    HD2  PHE  43           2HD      PHE  43  -2.031   7.333   4.919
  372    HE1  PHE  43           1HE      PHE  43  -5.237   7.925   1.236
  373    HE2  PHE  43           2HE      PHE  43  -4.448   7.316   5.381
  374    HZ   PHE  43           HZ       PHE  43  -6.054   7.612   3.538
  375    H    TYR  44           H        TYR  44   0.812   5.921   0.730
  376    HA   TYR  44           HA       TYR  44  -1.066   4.060  -0.184
  377   1HB   TYR  44          2HB       TYR  44   0.878   5.430  -1.394
  378   2HB   TYR  44          1HB       TYR  44   1.723   3.897  -1.210
  379    HD1  TYR  44           1HD      TYR  44   0.968   1.907  -2.401
  380    HD2  TYR  44           2HD      TYR  44  -1.023   5.637  -2.882
  381    HE1  TYR  44           1HE      TYR  44  -0.167   1.037  -4.401
  382    HE2  TYR  44           2HE      TYR  44  -2.164   4.777  -4.883
  383    HH   TYR  44           HH       TYR  44  -1.505   2.789  -6.665
  384    H    SER  45           H        SER  45   2.153   3.554   1.233
  385    HA   SER  45           HA       SER  45   2.221   0.771   1.033
  386   1HB   SER  45          2HB       SER  45   3.578   2.774   2.793
  387   2HB   SER  45          1HB       SER  45   3.736   1.059   3.173
  388    HG   SER  45           HG       SER  45   5.083   0.880   1.581
  389    H    ALA  46           H        ALA  46   1.058   2.832   3.680
  390    HA   ALA  46           HA       ALA  46   0.291   0.658   5.351
  391   1HB   ALA  46          1HB       ALA  46   0.004   3.600   5.403
  392   2HB   ALA  46          2HB       ALA  46   0.571   2.491   6.652
  393   3HB   ALA  46          3HB       ALA  46  -1.157   2.670   6.351
  394    H    ALA  47           H        ALA  47  -1.284   2.479   2.827
  395    HA   ALA  47           HA       ALA  47  -3.933   1.563   3.461
  396   1HB   ALA  47          1HB       ALA  47  -4.662   2.806   1.622
  397   2HB   ALA  47          2HB       ALA  47  -3.098   2.699   0.813
  398   3HB   ALA  47          3HB       ALA  47  -3.286   3.720   2.239
  399    H    ASP  48           H        ASP  48  -1.412   0.671   1.150
  400    HA   ASP  48           HA       ASP  48  -2.839  -1.116  -0.426
  401   1HB   ASP  48          2HB       ASP  48  -0.140  -0.360  -0.110
  402   2HB   ASP  48          1HB       ASP  48  -0.173  -2.115   0.031
  403    H    HIS  49           H        HIS  49  -0.962  -1.798   2.527
  404    HA   HIS  49           HA       HIS  49  -1.517  -4.543   2.637
  405   1HB   HIS  49          2HB       HIS  49  -0.702  -2.502   4.685
  406   2HB   HIS  49          1HB       HIS  49  -1.069  -4.152   5.168
  407    HD1  HIS  49           1HD      HIS  49   0.271  -5.385   2.502
  408    HD2  HIS  49           2HD      HIS  49   2.017  -2.782   5.230
  409    HE1  HIS  49           1HE      HIS  49   2.751  -5.723   2.261
  410    HE2  HIS  49           2HE      HIS  49   3.784  -4.196   3.979
  411    H    ARG  50           H        ARG  50  -3.151  -1.786   4.175
  412    HA   ARG  50           HA       ARG  50  -5.085  -3.263   5.569
  413   1HB   ARG  50          2HB       ARG  50  -4.970  -0.435   4.566
  414   2HB   ARG  50          1HB       ARG  50  -6.425  -1.050   5.337
  415   1HG   ARG  50          2HG       ARG  50  -3.677  -0.874   6.552
  416   2HG   ARG  50          1HG       ARG  50  -5.085   0.108   6.959
  417   1HD   ARG  50          2HD       ARG  50  -5.304  -1.412   8.616
  418   2HD   ARG  50          1HD       ARG  50  -6.117  -2.335   7.353
  419    HE   ARG  50           HE       ARG  50  -4.368  -3.817   7.351
  420   1HH1  ARG  50          1HH1      ARG  50  -3.423  -0.942   9.090
  421   2HH1  ARG  50          2HH1      ARG  50  -1.947  -1.632   9.678
  422   1HH2  ARG  50          1HH2      ARG  50  -2.427  -4.725   8.123
  423   2HH2  ARG  50          2HH2      ARG  50  -1.382  -3.779   9.129
  424    H    LEU  51           H        LEU  51  -5.045  -1.970   2.287
  425    HA   LEU  51           HA       LEU  51  -7.743  -2.727   1.708
  426   1HB   LEU  51          2HB       LEU  51  -5.774  -1.159   0.484
  427   2HB   LEU  51          1HB       LEU  51  -6.061  -2.477  -0.634
  428    HG   LEU  51           HG       LEU  51  -8.616  -1.657   0.093
  429   1HD1  LEU  51          1HD1      LEU  51  -7.088   0.824  -0.603
  430   2HD1  LEU  51          2HD1      LEU  51  -7.369   0.360   1.075
  431   3HD1  LEU  51          3HD1      LEU  51  -8.736   0.665   0.004
  432   1HD2  LEU  51          1HD2      LEU  51  -8.418  -2.213  -2.101
  433   2HD2  LEU  51          2HD2      LEU  51  -6.854  -1.417  -2.279
  434   3HD2  LEU  51          3HD2      LEU  51  -8.334  -0.459  -2.264
  435    H    ALA  52           H        ALA  52  -4.611  -4.243   1.442
  436    HA   ALA  52           HA       ALA  52  -5.315  -6.314  -0.347
  437   1HB   ALA  52          1HB       ALA  52  -3.141  -6.734  -0.215
  438   2HB   ALA  52          2HB       ALA  52  -3.288  -7.172   1.486
  439   3HB   ALA  52          3HB       ALA  52  -3.008  -5.492   1.030
  440    H    GLU  53           H        GLU  53  -5.089  -6.277   3.212
  441    HA   GLU  53           HA       GLU  53  -5.966  -8.921   3.595
  442   1HB   GLU  53          2HB       GLU  53  -6.652  -7.989   5.916
  443   2HB   GLU  53          1HB       GLU  53  -4.951  -8.018   5.474
  444   1HG   GLU  53          2HG       GLU  53  -4.779  -5.817   5.672
  445   2HG   GLU  53          1HG       GLU  53  -6.206  -5.546   4.673
  446    H    LEU  54           H        LEU  54  -7.699  -5.909   3.173
  447    HA   LEU  54           HA       LEU  54 -10.241  -6.749   4.006
  448   1HB   LEU  54          2HB       LEU  54  -9.111  -4.447   2.874
  449   2HB   LEU  54          1HB       LEU  54 -10.372  -4.936   1.757
  450    HG   LEU  54           HG       LEU  54 -11.987  -4.942   3.653
  451   1HD1  LEU  54          1HD1      LEU  54 -10.107  -3.349   5.295
  452   2HD1  LEU  54          2HD1      LEU  54  -9.898  -5.099   5.291
  453   3HD1  LEU  54          3HD1      LEU  54 -11.439  -4.397   5.785
  454   1HD2  LEU  54          1HD2      LEU  54 -12.370  -2.979   2.656
  455   2HD2  LEU  54          2HD2      LEU  54 -10.651  -2.624   2.487
  456   3HD2  LEU  54          3HD2      LEU  54 -11.479  -2.272   4.003
  457    H    THR  55           H        THR  55  -8.637  -6.937   0.868
  458    HA   THR  55           HA       THR  55 -10.919  -8.170  -0.396
  459    HB   THR  55           HB       THR  55  -8.100  -7.843  -1.436
  460    HG1  THR  55           1HG      THR  55  -8.593  -5.839  -1.696
  461   1HG2  THR  55          1HG2      THR  55  -9.513  -9.467  -2.679
  462   2HG2  THR  55          2HG2      THR  55  -9.003  -8.068  -3.624
  463   3HG2  THR  55          3HG2      THR  55 -10.649  -8.156  -2.997
  464    H    MET  56           H        MET  56  -7.993  -9.219   1.171
  465    HA   MET  56           HA       MET  56  -8.359 -11.950   0.181
  466   1HB   MET  56          2HB       MET  56  -6.099 -10.560   0.423
  467   2HB   MET  56          1HB       MET  56  -6.148 -11.254   2.036
  468   1HG   MET  56          2HG       MET  56  -5.027 -12.929   1.046
  469   2HG   MET  56          1HG       MET  56  -6.644 -13.454   0.589
  470   1HE   MET  56          1HE       MET  56  -4.952 -10.234  -1.170
  471   2HE   MET  56          2HE       MET  56  -3.773 -11.116  -2.139
  472   3HE   MET  56          3HE       MET  56  -3.707 -11.201  -0.380
  473    H    ASN  57           H        ASN  57  -9.873 -10.383   2.440
  474    HA   ASN  57           HA       ASN  57 -10.947 -10.948   4.355
  475   1HB   ASN  57          2HB       ASN  57 -10.210 -13.555   3.183
  476   2HB   ASN  57          1HB       ASN  57 -10.589 -13.581   4.901
  477   1HD2  ASN  57          1HD2      ASN  57 -11.806 -12.652   1.737
  478   2HD2  ASN  57          2HD2      ASN  57 -13.481 -12.777   2.140
  479    H    LYS  58           H        LYS  58  -9.284  -9.614   5.371
  480    HA   LYS  58           HA       LYS  58  -7.724  -9.156   6.954
  481   1HB   LYS  58          2HB       LYS  58  -9.094 -11.606   7.960
  482   2HB   LYS  58          1HB       LYS  58  -7.718 -10.971   8.849
  483   1HG   LYS  58          2HG       LYS  58  -9.685  -8.936   8.139
  484   2HG   LYS  58          1HG       LYS  58 -10.316 -10.206   9.188
  485   1HD   LYS  58          2HD       LYS  58  -9.420  -8.367  10.510
  486   2HD   LYS  58          1HD       LYS  58  -8.462  -9.829  10.750
  487   1HE   LYS  58          2HE       LYS  58  -6.701  -8.505  10.346
  488   2HE   LYS  58          1HE       LYS  58  -7.170  -8.649   8.654
  489   1HZ   LYS  58          1HZ       LYS  58  -6.804  -6.329   9.535
  490   2HZ   LYS  58          2HZ       LYS  58  -8.240  -6.520  10.410
  491   3HZ   LYS  58          3HZ       LYS  58  -8.263  -6.593   8.720
  492    H    LEU  59           H        LEU  59  -6.737 -10.660   4.637
  493    HA   LEU  59           HA       LEU  59  -4.466 -11.995   5.954
  494   1HB   LEU  59          2HB       LEU  59  -5.841 -13.581   4.693
  495   2HB   LEU  59          1HB       LEU  59  -5.647 -12.613   3.247
  496    HG   LEU  59           HG       LEU  59  -4.205 -14.706   3.451
  497   1HD1  LEU  59          1HD1      LEU  59  -3.719 -12.193   2.306
  498   2HD1  LEU  59          2HD1      LEU  59  -3.012 -13.742   1.850
  499   3HD1  LEU  59          3HD1      LEU  59  -2.191 -12.708   3.020
  500   1HD2  LEU  59          1HD2      LEU  59  -2.782 -12.927   5.426
  501   2HD2  LEU  59          2HD2      LEU  59  -2.099 -14.390   4.715
  502   3HD2  LEU  59          3HD2      LEU  59  -3.523 -14.495   5.751
  503    H    TYR  60           H        TYR  60  -2.647 -10.889   5.796
  504    HA   TYR  60           HA       TYR  60  -2.071  -9.447   3.310
  505   1HB   TYR  60          2HB       TYR  60  -1.506  -7.452   4.358
  506   2HB   TYR  60          1HB       TYR  60  -2.914  -7.967   5.278
  507    HD1  TYR  60           1HD      TYR  60  -2.753  -8.414   7.605
  508    HD2  TYR  60           2HD      TYR  60   0.776  -7.787   5.315
  509    HE1  TYR  60           1HE      TYR  60  -1.440  -8.270   9.680
  510    HE2  TYR  60           2HE      TYR  60   2.100  -7.641   7.384
  511    HH   TYR  60           HH       TYR  60   1.193  -6.951  10.104
  512    H    ASP  61           H        ASP  61   0.231  -8.936   3.039
  513    HA   ASP  61           HA       ASP  61   2.499  -9.287   3.332
  514   1HB   ASP  61          2HB       ASP  61   1.750 -10.098   5.768
  515   2HB   ASP  61          1HB       ASP  61   2.179 -11.666   5.089
  516    H    LYS  62           H        LYS  62   0.136 -11.736   2.723
  517    HA   LYS  62           HA       LYS  62   2.059 -13.122   0.973
  518   1HB   LYS  62          2HB       LYS  62   1.073 -14.403   2.973
  519   2HB   LYS  62          1HB       LYS  62  -0.439 -14.387   2.078
  520   1HG   LYS  62          2HG       LYS  62   0.851 -15.448   0.168
  521   2HG   LYS  62          1HG       LYS  62   2.147 -15.713   1.337
  522   1HD   LYS  62          2HD       LYS  62   0.041 -16.679   2.720
  523   2HD   LYS  62          1HD       LYS  62  -0.473 -17.041   1.071
  524   1HE   LYS  62          2HE       LYS  62   2.326 -17.700   1.690
  525   2HE   LYS  62          1HE       LYS  62   1.122 -18.641   2.569
  526   1HZ   LYS  62          1HZ       LYS  62   1.409 -18.390  -0.373
  527   2HZ   LYS  62          2HZ       LYS  62   0.077 -19.115   0.375
  528   3HZ   LYS  62          3HZ       LYS  62   1.619 -19.783   0.566
  529    H    ILE  63           H        ILE  63   0.278 -10.782   0.461
  530    HA   ILE  63           HA       ILE  63  -1.911 -11.596  -1.136
  531    HB   ILE  63           HB       ILE  63  -0.372  -9.005  -1.322
  532   1HG1  ILE  63          2HG1      ILE  63  -2.796  -8.690   0.117
  533   2HG1  ILE  63          1HG1      ILE  63  -1.960 -10.071   0.820
  534   1HG2  ILE  63          1HG2      ILE  63  -1.934  -8.257  -2.735
  535   2HG2  ILE  63          2HG2      ILE  63  -3.249  -8.974  -1.806
  536   3HG2  ILE  63          3HG2      ILE  63  -2.352  -9.953  -2.967
  537   1HD1  ILE  63          1HD1      ILE  63   0.070  -8.617   1.009
  538   2HD1  ILE  63          2HD1      ILE  63  -1.293  -8.147   2.024
  539   3HD1  ILE  63          3HD1      ILE  63  -0.948  -7.258   0.539
  540    HA   PRO  64           HA       PRO  64   0.648 -13.116  -4.546
  541   1HB   PRO  64          2HB       PRO  64  -2.022 -13.396  -5.805
  542   2HB   PRO  64          1HB       PRO  64  -0.744 -14.598  -5.597
  543   1HG   PRO  64          2HG       PRO  64  -2.961 -14.688  -4.117
  544   2HG   PRO  64          1HG       PRO  64  -1.379 -15.091  -3.423
  545   1HD   PRO  64          2HD       PRO  64  -2.985 -12.578  -3.155
  546   2HD   PRO  64          1HD       PRO  64  -2.033 -13.447  -1.927
  547    H    SER  65           H        SER  65  -0.366 -12.795  -7.168
  548    HA   SER  65           HA       SER  65  -0.050  -9.893  -7.468
  549   1HB   SER  65          2HB       SER  65   0.371 -12.130  -9.465
  550   2HB   SER  65          1HB       SER  65   0.611 -10.415  -9.801
  551    HG   SER  65           HG       SER  65   2.543 -10.711  -9.053
  552    H    SER  66           H        SER  66  -1.965 -12.619  -8.695
  553    HA   SER  66           HA       SER  66  -3.676 -11.192 -10.368
  554   1HB   SER  66          2HB       SER  66  -3.839 -13.806  -8.936
  555   2HB   SER  66          1HB       SER  66  -5.310 -13.159  -9.661
  556    HG   SER  66           HG       SER  66  -3.840 -14.564 -10.986
  557    H    VAL  67           H        VAL  67  -3.990 -11.939  -6.915
  558    HA   VAL  67           HA       VAL  67  -6.552 -10.955  -6.487
  559    HB   VAL  67           HB       VAL  67  -4.270 -10.724  -4.526
  560   1HG1  VAL  67          1HG1      VAL  67  -5.789 -10.133  -3.011
  561   2HG1  VAL  67          2HG1      VAL  67  -6.862 -11.453  -3.474
  562   3HG1  VAL  67          3HG1      VAL  67  -6.925  -9.919  -4.342
  563   1HG2  VAL  67          1HG2      VAL  67  -4.092 -12.946  -4.754
  564   2HG2  VAL  67          2HG2      VAL  67  -5.611 -13.070  -5.642
  565   3HG2  VAL  67          3HG2      VAL  67  -5.621 -13.016  -3.880
  566    H    TRP  68           H        TRP  68  -3.502  -9.201  -5.840
  567    HA   TRP  68           HA       TRP  68  -4.670  -6.722  -5.321
  568   1HB   TRP  68          2HB       TRP  68  -2.041  -7.762  -5.582
  569   2HB   TRP  68          1HB       TRP  68  -2.133  -6.331  -6.602
  570    HD1  TRP  68           HD       TRP  68  -0.555  -6.723  -3.705
  571    HE1  TRP  68           1HE      TRP  68  -0.948  -4.910  -1.925
  572    HE3  TRP  68           3HE      TRP  68  -4.924  -4.752  -5.490
  573    HZ2  TRP  68           2HZ      TRP  68  -2.853  -2.911  -1.350
  574    HZ3  TRP  68           3HZ      TRP  68  -5.964  -2.891  -4.266
  575    HH2  TRP  68           HH       TRP  68  -4.949  -1.992  -2.237
  576    H    LYS  69           H        LYS  69  -3.900  -8.302  -8.330
  577    HA   LYS  69           HA       LYS  69  -4.152  -5.992  -9.986
  578   1HB   LYS  69          2HB       LYS  69  -3.145  -8.456 -10.398
  579   2HB   LYS  69          1HB       LYS  69  -4.726  -8.661 -11.139
  580   1HG   LYS  69          2HG       LYS  69  -4.300  -6.773 -12.609
  581   2HG   LYS  69          1HG       LYS  69  -2.732  -6.517 -11.842
  582   1HD   LYS  69          2HD       LYS  69  -2.676  -9.185 -12.558
  583   2HD   LYS  69          1HD       LYS  69  -3.516  -8.415 -13.906
  584   1HE   LYS  69          2HE       LYS  69  -1.702  -7.085 -14.446
  585   2HE   LYS  69          1HE       LYS  69  -1.004  -7.206 -12.831
  586   1HZ   LYS  69          1HZ       LYS  69  -0.843  -9.725 -13.532
  587   2HZ   LYS  69          2HZ       LYS  69   0.361  -8.613 -13.946
  588   3HZ   LYS  69          3HZ       LYS  69  -0.808  -9.055 -15.085
  589    H    PHE  70           H        PHE  70  -6.376  -8.307  -8.647
  590    HA   PHE  70           HA       PHE  70  -8.545  -7.789 -10.412
  591   1HB   PHE  70          2HB       PHE  70  -8.086  -9.713  -8.604
  592   2HB   PHE  70          1HB       PHE  70  -9.094  -8.656  -7.622
  593    HD1  PHE  70           1HD      PHE  70  -9.123 -11.350  -9.826
  594    HD2  PHE  70           2HD      PHE  70 -11.285  -7.811  -8.867
  595    HE1  PHE  70           1HE      PHE  70 -11.134 -12.298 -10.880
  596    HE2  PHE  70           2HE      PHE  70 -13.300  -8.754  -9.920
  597    HZ   PHE  70           HZ       PHE  70 -13.226 -10.999 -10.927
  598    H    ILE  71           H        ILE  71  -7.797  -6.653  -7.119
  599    HA   ILE  71           HA       ILE  71  -9.967  -4.720  -7.262
  600    HB   ILE  71           HB       ILE  71  -9.608  -5.929  -5.158
  601   1HG1  ILE  71          2HG1      ILE  71  -8.891  -3.031  -4.729
  602   2HG1  ILE  71          1HG1      ILE  71 -10.487  -3.533  -5.277
  603   1HG2  ILE  71          1HG2      ILE  71  -7.220  -4.432  -4.373
  604   2HG2  ILE  71          2HG2      ILE  71  -6.946  -5.624  -5.643
  605   3HG2  ILE  71          3HG2      ILE  71  -7.645  -6.123  -4.102
  606   1HD1  ILE  71          1HD1      ILE  71  -9.152  -4.187  -2.668
  607   2HD1  ILE  71          2HD1      ILE  71 -10.639  -4.955  -3.224
  608   3HD1  ILE  71          3HD1      ILE  71 -10.599  -3.215  -2.934
  609    H    ARG  72           H        ARG  72  -9.566  -2.948  -8.419
  610    HA   ARG  72           HA       ARG  72  -6.954  -1.871  -8.799
  611   1HB   ARG  72          2HB       ARG  72  -9.725  -0.942  -9.504
  612   2HB   ARG  72          1HB       ARG  72  -8.329   0.094  -9.769
  613   1HG   ARG  72          2HG       ARG  72  -7.458  -1.270 -11.412
  614   2HG   ARG  72          1HG       ARG  72  -8.335  -2.691 -10.841
  615   1HD   ARG  72          2HD       ARG  72  -9.593  -2.200 -12.674
  616   2HD   ARG  72          1HD       ARG  72 -10.429  -1.202 -11.486
  617    HE   ARG  72           HE       ARG  72  -8.769  -0.292 -13.682
  618   1HH1  ARG  72          1HH1      ARG  72 -10.384   0.541 -10.698
  619   2HH1  ARG  72          2HH1      ARG  72 -10.403   2.238 -11.040
  620   1HH2  ARG  72          1HH2      ARG  72  -8.795   1.938 -14.127
  621   2HH2  ARG  72          2HH2      ARG  72  -9.502   3.031 -12.984